A0A087YDM9_POEFO Loading...

GTP-binding protein 10

AlphaFold DB , UniProt , Accession A0A087YDM9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 392 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
1M31.1Very low27.9Very low227 Ų227163.2 Ų163.2100%1.11879%0.793SS**  084.50-158.7173.9-171.600107.2
2V25.7Very low28.6Very low135 Ų135160 Ų16082%0.81877%0.767SS**  trans-92.1112.9-170.9-175.90000107.9I4V2-I4 PolarHBondContact O-N 2.87Å
3H27.3Very low29.7Very low171 Ų171151.5 Ų151.579%0.79275%0.748SS**  trans-65.9100.6173.2-93.748.9000109S5H3-S5 VanDerWaalsContact C-N 3.31Å; H3-S5 PolarHBondContact O-N 3.44Å
4I25.3Very low31.2Very low153 Ų153148.3 Ų148.379%0.78574%0.735SS**  trans-72.892.4167.7-62170.2000106.2V2 R6V2-I4 PolarHBondContact O-N 2.87Å; I4-R6 PolarHBondContact O-N 3.34Å; I4-R6 VanDerWaalsContact O-N 3.09Å
5S27.4Very low32.4Very low93 Ų93145.3 Ų145.365%0.6572%0.716SS**  trans-60.2112.6167.853.20000108.1H3 I7H3-S5 VanDerWaalsContact C-N 3.31Å; H3-S5 PolarHBondContact O-N 3.44Å; S5-I7 VanDerWaalsContact C-N 3.3Å; S5-I7 PolarHBondContact O-N 3.38Å
6R27.1Very low34.2Very low232 Ų232137.7 Ų137.788%0.87568%0.68SS**  trans-55.893.5169-79176.6162.9-176.4-4.2108.8I4 C8I4-R6 PolarHBondContact O-N 3.34Å; I4-R6 VanDerWaalsContact O-N 3.09Å; R6-C8 PolarHBondContact O-N 3.4Å
7I29.5Very low36Very low139 Ų139133.5 Ų133.571%0.71366%0.661SS**  trans-69.790.6160.7-65.6169.5000104.9S5 F9S5-I7 VanDerWaalsContact C-N 3.3Å; S5-I7 PolarHBondContact O-N 3.38Å; I7-F9 PolarHBondContact O-N 2.97Å
8C27.2Very low38.2Very low104 Ų104129.7 Ų129.770%0.70364%0.644SS**  trans-53.2108.2167.3-76.60000107.1R6 R10R6-C8 PolarHBondContact O-N 3.4Å; C8-R10 PolarHBondContact O-N 3.19Å
9F27.8Very low40.6Very low178 Ų178123.1 Ų123.178%0.78161%0.611SS**  trans-58.786166.7-80.3-90.5000108.1I7 K11I7-F9 PolarHBondContact O-N 2.97Å; F9-K11 PolarHBondContact O-N 3.31Å
10R27.7Very low43Very low165 Ų165122.7 Ų122.762%0.62360%0.602SS**  trans-65.395.9163.1-96.9174.7156.6-170.62.8105.4C8 Y12C8-R10 PolarHBondContact O-N 3.19Å; R10-Y12 HydrophobicContact CB-CD2 3.89Å; R10-Y12 HydrophobicContact CB-CE2 3.57Å; R10-Y12 WeakPolarHBondContact CD-OH 3.43Å; R10-Y12 HydrophobicContact CG-CE2 4.23Å; R10-Y12 PolarHBondContact NH1-OH 3.3Å; R10-Y12 PolarHBondContact O-N 3.35Å
11K31.3Very low45.3Very low198 Ų198116.9 Ų116.986%0.86157%0.574SS**  trans-58.791.4167.5-84.1-179177.31730106.9F9F9-K11 PolarHBondContact O-N 3.31Å
12Y36.1Very low48.3Very low125 Ų125108.2 Ų108.249%0.4953%0.529SS..  trans-83.1122.4173.3-80.3-57.2000111R10 S272R10-Y12 HydrophobicContact CB-CD2 3.89Å; R10-Y12 HydrophobicContact CB-CE2 3.57Å; R10-Y12 WeakPolarHBondContact CD-OH 3.43Å; R10-Y12 HydrophobicContact CG-CE2 4.23Å; R10-Y12 PolarHBondContact NH1-OH 3.3Å; R10-Y12 PolarHBondContact O-N 3.35Å; Y12-S272 WeakPolarHBondContact CD1-OG 3.12Å; Y12-S272 VanDerWaalsContact CE1-OG 3.28Å; Y12-S272 WeakPolarHBondContact CE1-OG 3Å
13G42.2Very low51.5Low50 Ų50101.8 Ų101.852%0.51549%0.49SS..  trans89.998.8141.800000115.4F15G13-F15 PolarHBondContact O-N 3.03Å
14N51.5Low54.8Low106 Ų10697 Ų9757%0.56747%0.465SS*.  trans-67.729.8167.4-95-28.4000113.7K56N14-K56 HydrophobicContact CB-CD 4.08Å; N14-K56 VanDerWaalsContact CB-CE 3.44Å; N14-K56 VanDerWaalsContact CB-NZ 3.31Å; N14-K56 VanDerWaalsContact CG-CE 3.49Å; N14-K56 VanDerWaalsContact CG-NZ 3.25Å; N14-K56 PolarHBondContact ND2-NZ 2.73Å; N14-K56 VanDerWaalsContact ND2-NZ 3.12Å; N14-K56 WeakPolarHBondContact O-CD 3.22Å; N14-K56 VanDerWaalsContact O-CG 3.28Å; N14-K56 WeakPolarHBondContact O-CG 3.45Å
15F49.6Very low58.1Low104 Ų10489.7 Ų89.746%0.45643%0.428SS..  trans-90.9136.6179.4-171-109.1000109.7G13 D17 L146G13-F15 PolarHBondContact O-N 3.03Å; F15-D17 HydrophobicContact CD1-CB 4.4Å; F15-D17 HydrophobicContact CE1-CB 3.93Å; F15-L146 HydrophobicContact CZ-CD2 4.23Å
16V61.2Low61.4Low23 Ų2385.4 Ų85.414%0.13940%0.398CS..  trans-128.5115.1179.1-179.70000105.9N18 L19 L55 K56 K59V16-N18 WeakPolarHBondContact CG1-O 3.25Å; V16-L19 HydrophobicContact CG1-CB 4.45Å; V16-L55 HydrophobicContact CB-CB 4.27Å; V16-L55 HydrophobicContact CG1-CB 4.18Å; V16-L55 WeakPolarHBondContact O-CB 3.4Å; V16-K56 HydrophobicContact CB-CB 4.42Å; V16-K56 HydrophobicContact CG2-CB 4.15Å; V16-K56 HydrophobicContact CG2-CG 4.25Å; V16-K59 HydrophobicContact CG2-CD 4.04Å
17D64.4Low64.6Low67 Ų6776.1 Ų76.136%0.35837%0.367SS..SBendtrans-101-32.9-177.859-20.5000111.9F15 L55 L146F15-D17 HydrophobicContact CD1-CB 4.4Å; F15-D17 HydrophobicContact CE1-CB 3.93Å; D17-L55 WeakPolarHBondContact O-CD1 3.48Å; D17-L146 PolarHBondContact O-N 2.75Å
18N75.9Confident67.7Low65 Ų6569.8 Ų69.835%0.34834%0.336SS..EExtended strand (participates in β ladder)trans-114133.5171.1178-80.5000111.3V16 L144 D145V16-N18 WeakPolarHBondContact CG1-O 3.25Å; N18-L144 WeakPolarHBondContact CA-O 3.38Å; N18-D145 PolarHBondContact ND2-OD1 2.98Å
19L83.9Confident70.9Confident4 Ų464.9 Ų64.92%0.02130%0.303CS..EExtended strand (participates in β ladder)trans-134.6111.6171.1-174.563.1000111.7V16 L21 L55 I58 K59 K65 R143 L144V16-L19 HydrophobicContact CG1-CB 4.45Å; L19-L21 HydrophobicContact CD1-CD2 4.34Å; L19-L21 HydrophobicContact CD2-CD2 3.73Å; L19-L21 HydrophobicContact CD2-CG 4.31Å; L19-L21 HydrophobicContact CG-CD2 3.7Å; L19-L21 HydrophobicContact CG-CG 4.14Å; L19-L55 HydrophobicContact CB-CD2 4.25Å; L19-L55 HydrophobicContact CD2-CD2 4.48Å; L19-I58 HydrophobicContact CD2-CB 3.79Å; L19-I58 HydrophobicContact CD2-CG2 3.63Å; L19-K59 HydrophobicContact CD1-CB 4.09Å; L19-K59 HydrophobicContact CD1-CG 4.43Å; L19-K65 HydrophobicContact CD1-CD 4.11Å; L19-R143 WeakPolarHBondContact O-CA 3.27Å; L19-L144 PolarHBondContact N-O 3.01Å; L19-L144 PolarHBondContact O-N 2.78Å
20R88.1Confident74Confident114 Ų11461 Ų6143%0.4329%0.288SS..EExtended strand (participates in β ladder)trans-79.5127.1168.9-167.9174.5178.4-147.4-3.9111.1K65 D101 I142 R143R20-K65 WeakPolarHBondContact O-CD 3.26Å; R20-D101 IonicContact CZ-OD1 3.35Å; R20-D101 IonicContact CZ-OD2 2.62Å; R20-D101 VanDerWaalsContact CZ-OD2 3.23Å; R20-D101 IonicContact NE-OD1 3.1Å; R20-D101 PolarHBondContact NE-OD1 3.31Å; R20-D101 IonicContact NE-OD2 2.71Å; R20-D101 PolarHBondContact NE-OD2 2.83Å; R20-D101 VanDerWaalsContact NE-OD2 3.14Å; R20-D101 IonicContact NH2-OD1 2.86Å; R20-D101 IonicContact NH2-OD2 3.14Å; R20-D101 PolarHBondContact NH2-OD2 2.65Å; R20-I142 CarbonylContact C-O 3.55Å; R20-I142 VanDerWaalsContact CA-O 3.31Å; R20-I142 WeakPolarHBondContact CA-O 3.24Å; R20-R143 HydrophobicContact CB-CG 4.04Å; R20-R143 HydrophobicContact CG-CG 4Å
21L91.1Very high77Confident2 Ų253.5 Ų53.51%0.0126%0.262CS..EExtended strand (participates in β ladder)trans-122148.9179.3-58.9179.1000110.6L19 K65 F67 I90 H141 I142 L144L19-L21 HydrophobicContact CD1-CD2 4.34Å; L19-L21 HydrophobicContact CD2-CD2 3.73Å; L19-L21 HydrophobicContact CD2-CG 4.31Å; L19-L21 HydrophobicContact CG-CD2 3.7Å; L19-L21 HydrophobicContact CG-CG 4.14Å; L21-K65 HydrophobicContact CD2-CB 3.8Å; L21-K65 HydrophobicContact CD2-CG 4.21Å; L21-F67 HydrophobicContact CD1-CD2 4.25Å; L21-F67 HydrophobicContact CD1-CE2 3.82Å; L21-F67 HydrophobicContact CD2-CE2 3.88Å; L21-F67 HydrophobicContact CG-CE2 4.31Å; L21-I90 HydrophobicContact CD1-CD1 4.33Å; L21-I90 HydrophobicContact CD1-CG2 4.03Å; L21-H141 WeakPolarHBondContact O-CA 3.4Å; L21-I142 HydrophobicContact CB-CD1 4.46Å; L21-I142 HydrophobicContact CB-CG1 3.92Å; L21-I142 PolarHBondContact N-O 3.08Å; L21-I142 PolarHBondContact O-N 3.24Å; L21-L144 HydrophobicContact CD1-CD1 3.59Å; L21-L144 HydrophobicContact CD1-CG 4.06Å
22Y93.4Very high79.9Confident44 Ų4446.2 Ų46.217%0.17323%0.232CC..EExtended strand (participates in β ladder)trans-95.7125.8165.5175.8-83.3000108.9R24 K65 R66 F67 V139 H141Y22-R24 HydrophobicContact CE1-CB 3.76Å; Y22-K65 PolarHBondContact N-O 2.93Å; Y22-R66 HydrophobicContact CD1-CB 4.45Å; Y22-R66 HydrophobicContact CD1-CG 3.81Å; Y22-R66 HydrophobicContact CE1-CG 4.34Å; Y22-R66 VanDerWaalsContact CZ-NH1 3.3Å; Y22-R66 WeakPolarHBondContact O-CA 3.47Å; Y22-F67 PolarHBondContact O-N 3.19Å; Y22-V139 HydrophobicContact CE2-CG1 3.49Å; Y22-V139 VanDerWaalsContact CE2-CG1 3.49Å; Y22-V139 VanDerWaalsContact OH-CG1 3.28Å; Y22-V139 WeakPolarHBondContact OH-CG1 3.21Å; Y22-H141 AromaticContact CD2-CE1 3.49Å; Y22-H141 VanDerWaalsContact CD2-CE1 3.49Å; Y22-H141 WeakPolarHBondContact CD2-CE1 3.32Å; Y22-H141 AromaticContact CD2-ND1 3.98Å; Y22-H141 AromaticContact CD2-NE2 3.7Å
23V94.2Very high82.3Confident0 Ų043.8 Ų43.80%023%0.232CC..EExtended strand (participates in β ladder)trans-123.5137.1178.1-62.70000110.7V45 F67 I90 V119 A120 K140 I142V23-V45 HydrophobicContact CB-CG1 4.28Å; V23-V45 HydrophobicContact CG1-CG1 4.16Å; V23-F67 WeakPolarHBondContact CA-O 3.47Å; V23-F67 HydrophobicContact CG1-CB 4.38Å; V23-I90 HydrophobicContact CG1-CD1 3.7Å; V23-V119 HydrophobicContact CB-CG2 4.36Å; V23-V119 HydrophobicContact CG1-CG2 4.15Å; V23-V119 HydrophobicContact CG2-CB 4.42Å; V23-V119 HydrophobicContact CG2-CG2 4.29Å; V23-A120 HydrophobicContact CB-CB 4.32Å; V23-A120 HydrophobicContact CG2-CB 4.04Å; V23-K140 HydrophobicContact CG2-CB 4.12Å; V23-K140 VanDerWaalsContact CG2-O 3.23Å; V23-K140 WeakPolarHBondContact CG2-O 3.45Å; V23-K140 PolarHBondContact N-O 3.22Å; V23-K140 PolarHBondContact O-N 2.89Å; V23-I142 HydrophobicContact CG1-CD1 3.67Å; V23-I142 HydrophobicContact CG1-CG1 4.01Å; V23-I142 HydrophobicContact CG2-CD1 4.36Å; V23-I142 HydrophobicContact CG2-CG1 4.34Å; V23-I142 HydrophobicContact CG2-CG2 3.88Å
24R95Very high84.5Confident71 Ų7152.6 Ų52.627%0.26825%0.249SC..EExtended strand (participates in β ladder)trans-137.5124.7175.7171.6170.3177-179.9-5.4110.9Y22 V45 F67 V68 G69 Q138 V139Y22-R24 HydrophobicContact CE1-CB 3.76Å; R24-V45 VanDerWaalsContact O-CG2 3.26Å; R24-V45 WeakPolarHBondContact O-CG2 3.37Å; R24-F67 PolarHBondContact N-O 3.42Å; R24-V68 HydrophobicContact CB-CG1 4.33Å; R24-V68 HydrophobicContact CB-CG2 4.34Å; R24-V68 HydrophobicContact CG-CG1 4.26Å; R24-V68 CarbonylContact O-C 3.48Å; R24-V68 VanDerWaalsContact O-CA 3.26Å; R24-V68 WeakPolarHBondContact O-CA 3.44Å; R24-G69 PolarHBondContact O-N 3.32Å; R24-Q138 CarbonylContact C-O 3.52Å; R24-Q138 WeakPolarHBondContact CA-O 3.34Å; R24-V139 HydrophobicContact CB-CG2 4.19Å; R24-V139 HydrophobicContact CG-CG2 3.8Å
25G96.1Very high86.1Confident0 Ų051.8 Ų51.80%025%0.245CC..PPolyproline II helixtrans-63.3149.8168.900000111.7Q138G25-Q138 PolarHBondContact N-O 3.04Å
26G95.7Very high87.9Confident2 Ų248.5 Ų48.52%0.02124%0.24CC..PPolyproline II helixtrans-58.9150.9173.800000112G43 G69 G70 G123 G137G26-G43 PolarHBondContact N-O 3.13Å; G26-G69 WeakPolarHBondContact CA-O 3.43Å; G26-G70 WeakPolarHBondContact CA-O 3.32Å; G26-G123 PolarHBondContact O-N 2.91Å; G26-G137 WeakPolarHBondContact O-CA 3.31Å; G26-G137 PolarHBondContact O-N 3.43Å
27T95.8Very high89.2Confident38 Ų3847.4 Ų47.423%0.23323%0.233CC..PPolyproline II helixtrans-80.7143.6175.3-51.90000109G42 S71 G72 K136T27-G42 WeakPolarHBondContact O-CA 3.45Å; T27-S71 WeakPolarHBondContact O-CA 3.4Å; T27-G72 PolarHBondContact O-N 3.1Å; T27-K136 HydrophobicContact CG2-CG 4.42Å
28G94.4Very high90.6Very high6 Ų648.1 Ų48.16%0.06223%0.234CC..PPolyproline II helixtrans-63.6151.3171.600000111.7G40 P134 K135G28-G40 CarbonylContact C-O 3.44Å; G28-G40 WeakPolarHBondContact CA-O 3.3Å; G28-P134 VanDerWaalsContact C-CB 3.47Å; G28-P134 WeakPolarHBondContact O-CB 2.98Å; G28-K135 PolarHBondContact N-O 3.49Å
29G93.3Very high91.3Very high1 Ų145.4 Ų45.41%0.0122%0.222CC..PPolyproline II helixtrans-76.4148.117400000111.9G39 G40 G72 G126 P134G29-G39 WeakPolarHBondContact O-CA 3.37Å; G29-G40 PolarHBondContact N-O 3.23Å; G29-G72 VanDerWaalsContact CA-O 3.3Å; G29-G72 WeakPolarHBondContact CA-O 3.38Å; G29-G126 PolarHBondContact O-N 3.35Å; G29-P134 WeakPolarHBondContact O-CB 3.28Å
30M92.9Very high91.8Very high96 Ų9645.3 Ų45.347%0.47322%0.222SC..PPolyproline II helixtrans-67.3139174.8-172.662.774.300110.6N74 S75 P134M30-N74 HydrophobicContact CB-CB 4.39Å; M30-N74 WeakPolarHBondContact CB-OD1 3.21Å; M30-N74 PolarHBondContact N-OD1 3.2Å; M30-N74 CarbonylContact O-C 3.59Å; M30-N74 VanDerWaalsContact O-CA 3.29Å; M30-N74 WeakPolarHBondContact O-CA 3.42Å; M30-S75 PolarHBondContact O-N 2.93Å; M30-S75 PolarHBondContact O-OG 3.2Å; M30-P134 HydrophobicContact CE-CG 4.14Å; M30-P134 VanDerWaalsContact SD-CD 3.57Å; M30-P134 HydrophobicContact SD-CG 4.29Å
31A91.1Very high92.2Very high7 Ų744 Ų446%0.05822%0.223CC..PPolyproline II helixtrans-94.7164.6175.300000111.7P33 G37 S75 G126 F132A31-P33 WeakPolarHBondContact O-CD 3.29Å; A31-G37 WeakPolarHBondContact CB-O 3.3Å; A31-S75 VanDerWaalsContact CA-OG 3.22Å; A31-S75 WeakPolarHBondContact CA-OG 3.28Å; A31-G126 VanDerWaalsContact CB-O 3.29Å; A31-G126 WeakPolarHBondContact CB-O 3.49Å; A31-F132 HydrophobicContact CB-CB 3.87Å; A31-F132 HydrophobicContact CB-CD1 3.83Å; A31-F132 HydrophobicContact CB-CG 4.36Å; A31-F132 WeakPolarHBondContact CB-O 3.38Å; A31-F132 PolarHBondContact N-O 2.82Å
32L91.4Very high92.4Very high45 Ų4544 Ų4424%0.23622%0.224CC..  trans-113.692.3-176.4-174.664.9000108.9R34 L35 G36 G37 S75 V77L32-R34 VanDerWaalsContact C-N 3.28Å; L32-R34 PolarHBondContact O-N 3.35Å; L32-L35 HydrophobicContact CD2-CB 4.3Å; L32-L35 HydrophobicContact CD2-CD1 3.81Å; L32-L35 HydrophobicContact CD2-CG 4.22Å; L32-L35 PolarHBondContact O-N 3.47Å; L32-G36 PolarHBondContact O-N 3.17Å; L32-G37 PolarHBondContact O-N 3.19Å; L32-S75 VanDerWaalsContact CB-OG 3.26Å; L32-S75 WeakPolarHBondContact CB-OG 3.44Å; L32-S75 PolarHBondContact N-OG 3.46Å; L32-V77 HydrophobicContact CD2-CG2 4.06Å
33P87.6Confident92.5Very high75 Ų7541.9 Ų41.949%0.48722%0.216SC..G310 helixtrans-57.3-40.4-171.3-21.326.9000113.3A31 L35 G36 F132A31-P33 WeakPolarHBondContact O-CD 3.29Å; P33-L35 PolarHBondContact O-N 3.45Å; P33-L35 VanDerWaalsContact O-N 3.11Å; P33-G36 PolarHBondContact O-N 3.17Å; P33-G36 VanDerWaalsContact O-N 3.13Å; P33-F132 HydrophobicContact CB-CB 4.33Å; P33-F132 HydrophobicContact CB-CD1 4.27Å; P33-F132 HydrophobicContact CB-CD2 3.74Å; P33-F132 HydrophobicContact CB-CE2 4.06Å; P33-F132 HydrophobicContact CB-CG 3.85Å; P33-F132 HydrophobicContact CB-CZ 4.45Å; P33-F132 HydrophobicContact CG-CB 3.69Å; P33-F132 HydrophobicContact CG-CD1 4.37Å; P33-F132 HydrophobicContact CG-CD2 4.03Å; P33-F132 HydrophobicContact CG-CG 3.78Å
34R87.3Confident92.6Very high235 Ų23543.1 Ų43.189%0.88722%0.222SC*.G310 helixtrans-58.7-27.7-175.1-69-174.3176.1177.4-1.3113.9L32L32-R34 VanDerWaalsContact C-N 3.28Å; L32-R34 PolarHBondContact O-N 3.35Å
35L86.3Confident92.6Very high89 Ų8939.8 Ų39.847%0.46621%0.21SC..G310 helixtrans-118.612.3-178-61.1178.5000112.3L32 P33 G37 V77 L80L32-L35 HydrophobicContact CD2-CB 4.3Å; L32-L35 HydrophobicContact CD2-CD1 3.81Å; L32-L35 HydrophobicContact CD2-CG 4.22Å; L32-L35 PolarHBondContact O-N 3.47Å; P33-L35 PolarHBondContact O-N 3.45Å; P33-L35 VanDerWaalsContact O-N 3.11Å; L35-G37 PolarHBondContact O-N 3.21Å; L35-V77 HydrophobicContact CD1-CB 4.24Å; L35-V77 HydrophobicContact CD1-CG1 4.01Å; L35-V77 HydrophobicContact CD1-CG2 4.05Å; L35-L80 HydrophobicContact CB-CD2 3.51Å; L35-L80 HydrophobicContact CD1-CD2 4.06Å; L35-L80 HydrophobicContact CG-CD2 4.44Å
36G85.9Confident92.5Very high35 Ų3542 Ų4236%0.36122%0.218SC..THydrogen-bonded Turntrans63.125.5-17600000113.9L32 P33L32-G36 PolarHBondContact O-N 3.17Å; P33-G36 PolarHBondContact O-N 3.17Å; P33-G36 VanDerWaalsContact O-N 3.13Å
37G89.1Confident92.4Very high0 Ų041.9 Ų41.90%022%0.217CC..  trans-64.9154.1-179.200000112.5A31 L32 L35 L80A31-G37 WeakPolarHBondContact CB-O 3.3Å; L32-G37 PolarHBondContact O-N 3.19Å; L35-G37 PolarHBondContact O-N 3.21Å; G37-L80 CarbonylContact C-O 3.59Å; G37-L80 WeakPolarHBondContact CA-O 3.47Å
38H93.1Very high92.2Very high81 Ų8140.9 Ų40.938%0.37521%0.211SC..BIsolated β-bridgetrans-115.3127.3175.5-62.1-79000110.3L80 K81 G82 G126 P128H38-L80 PolarHBondContact N-O 3.48Å; H38-K81 CarbonylContact O-C 3.56Å; H38-K81 WeakPolarHBondContact O-CA 3.34Å; H38-G82 PolarHBondContact O-N 2.73Å; H38-G126 WeakPolarHBondContact CA-O 3.47Å; H38-P128 WeakPolarHBondContact CE1-CD 3.47Å
39G92.2Very high91.9Very high8 Ų840.7 Ų40.78%0.08221%0.208CC..PPolyproline II helixtrans-71.4148.2172.800000112G29 G125 G126G29-G39 WeakPolarHBondContact O-CA 3.37Å; G39-G125 WeakPolarHBondContact O-CA 3.4Å; G39-G126 PolarHBondContact N-O 3.28Å
40G94.6Very high91.5Very high3 Ų342.2 Ų42.23%0.03122%0.218CC..PPolyproline II helixtrans-70.6148.6175.600000112.2G28 G29 A73 G82 E83 G125G28-G40 CarbonylContact C-O 3.44Å; G28-G40 WeakPolarHBondContact CA-O 3.3Å; G29-G40 PolarHBondContact N-O 3.23Å; G40-A73 PolarHBondContact N-O 3.43Å; G40-G82 WeakPolarHBondContact CA-O 3.39Å; G40-E83 WeakPolarHBondContact CA-O 3.09Å; G40-G125 VanDerWaalsContact O-CA 3.3Å; G40-G125 WeakPolarHBondContact O-CA 3.29Å
41N95.5Very high90.3Very high86 Ų8641 Ų4146%0.4621%0.213SC..PPolyproline II helixtrans-72.5147.5173.9-68.8-27.2000110.8G72 K84 G85 S124 G125N41-G72 WeakPolarHBondContact O-CA 3.48Å; N41-K84 HydrophobicContact CB-CG 4.22Å; N41-K84 CarbonylContact O-C 3.6Å; N41-K84 VanDerWaalsContact O-CA 3.3Å; N41-K84 WeakPolarHBondContact O-CA 3.47Å; N41-K84 WeakPolarHBondContact O-CG 3.38Å; N41-G85 PolarHBondContact O-N 3.38Å; N41-S124 WeakPolarHBondContact OD1-CA 3.28Å; N41-G125 PolarHBondContact OD1-N 3.47Å
42G95.6Very high89.4Confident2 Ų246.7 Ų46.72%0.02124%0.242CC..PPolyproline II helixtrans-67.6152.6170.400000112.1T27 G123T27-G42 WeakPolarHBondContact O-CA 3.45Å; G42-G123 PolarHBondContact N-O 3.28Å
43G96Very high88.8Confident0 Ų046.1 Ų46.10%024%0.239CC..PPolyproline II helixtrans-67.7145.1174.700000112.3G26 G70 G85 D87 G122G26-G43 PolarHBondContact N-O 3.13Å; G43-G70 PolarHBondContact N-O 3.03Å; G43-G85 WeakPolarHBondContact CA-O 3.4Å; G43-D87 VanDerWaalsContact CA-OD1 3.28Å; G43-D87 WeakPolarHBondContact CA-OD1 3.41Å; G43-G122 WeakPolarHBondContact O-CA 3.08Å
44N96.2Very high88.3Confident26 Ų2645.7 Ų45.714%0.13924%0.235CC..PPolyproline II helixtrans-83.5159.1173.8-66.9-33.6000110.8W46 D87 E88 L118 G122N44-W46 HydrophobicContact CB-CZ2 4.45Å; N44-D87 PolarHBondContact N-OD1 2.98Å; N44-D87 CarbonylContact O-C 3.4Å; N44-D87 VanDerWaalsContact O-CA 3.28Å; N44-D87 WeakPolarHBondContact O-CA 3.5Å; N44-E88 PolarHBondContact O-N 3.15Å; N44-L118 HydrophobicContact CB-CD1 3.71Å; N44-G122 PolarHBondContact OD1-N 3.43Å
45V95.1Very high87.8Confident0 Ų034.7 Ų34.70%019%0.194CC..EExtended strand (participates in β ladder)trans-110.2126.1168.4-171.70000108.7V23 R24 F67 E88 I90 V119 A120V23-V45 HydrophobicContact CB-CG1 4.28Å; V23-V45 HydrophobicContact CG1-CG1 4.16Å; R24-V45 VanDerWaalsContact O-CG2 3.26Å; R24-V45 WeakPolarHBondContact O-CG2 3.37Å; V45-F67 HydrophobicContact CG1-CB 4.25Å; V45-E88 CarbonylContact C-O 3.4Å; V45-E88 WeakPolarHBondContact CA-O 3.28Å; V45-E88 HydrophobicContact CG1-CB 4.43Å; V45-E88 HydrophobicContact CG2-CB 4.33Å; V45-I90 HydrophobicContact CG1-CD1 3.74Å; V45-I90 HydrophobicContact CG1-CG1 4.14Å; V45-V119 HydrophobicContact CB-CG2 3.98Å; V45-V119 HydrophobicContact CG1-CG2 3.75Å; V45-V119 WeakPolarHBondContact O-CG2 3.49Å; V45-V119 PolarHBondContact O-N 2.97Å; V45-A120 HydrophobicContact CB-CB 4.15Å; V45-A120 HydrophobicContact CG2-CB 4.28Å; V45-A120 PolarHBondContact N-O 2.93Å; V45-A120 PolarHBondContact O-N 2.94Å
46W94.1Very high87.3Confident46 Ų4633.2 Ų33.217%0.17418%0.184CC..EExtended strand (participates in β ladder)trans-117.3149.9-179.1-60.593.1000110.5N44 V48 D87 E88 E89 I90 R116 V117 L118N44-W46 HydrophobicContact CB-CZ2 4.45Å; W46-V48 HydrophobicContact CB-CG2 4.33Å; W46-D87 PolarHBondContact NE1-OD2 3.36Å; W46-E88 PolarHBondContact N-O 3.34Å; W46-E89 HydrophobicContact CB-CG 4.48Å; W46-I90 PolarHBondContact O-N 3.01Å; W46-R116 HydrophobicContact CE3-CB 4.25Å; W46-R116 HydrophobicContact CE3-CG 4.19Å; W46-R116 HydrophobicContact CZ3-CG 4.32Å; W46-V117 CarbonylContact C-O 3.54Å; W46-V117 WeakPolarHBondContact CA-O 3.46Å; W46-L118 HydrophobicContact CD2-CB 4.47Å; W46-L118 HydrophobicContact CD2-CD1 4.02Å; W46-L118 HydrophobicContact CE3-CB 3.82Å; W46-L118 HydrophobicContact CE3-CD1 4.22Å; W46-L118 HydrophobicContact CH2-CB 3.85Å; W46-L118 HydrophobicContact CH2-CD1 4.03Å; W46-L118 HydrophobicContact CH2-CD2 4.47Å; W46-L118 HydrophobicContact CH2-CG 4.33Å; W46-L118 HydrophobicContact CZ2-CD1 3.83Å; W46-L118 HydrophobicContact CZ3-CB 3.49Å; W46-L118 VanDerWaalsContact CZ3-CB 3.49Å; W46-L118 HydrophobicContact CZ3-CD1 4.24Å; W46-L118 HydrophobicContact CZ3-CG 4.38Å
47V92.8Very high87.1Confident0 Ų038.6 Ų38.60%019%0.193CC..EExtended strand (participates in β ladder)trans-105.8128.2163-178.90000107.3I90 A92 V98 L110 R116 V117 V119 I142 L144V47-I90 CarbonylContact C-O 3.47Å; V47-I90 WeakPolarHBondContact CA-O 3.41Å; V47-I90 HydrophobicContact CG2-CB 4.19Å; V47-I90 HydrophobicContact CG2-CD1 4.26Å; V47-A92 HydrophobicContact CG1-CB 3.58Å; V47-V98 HydrophobicContact CG1-CG2 4.48Å; V47-L110 HydrophobicContact CB-CD1 4.12Å; V47-L110 HydrophobicContact CG1-CD1 3.43Å; V47-L110 VanDerWaalsContact CG1-CD1 3.43Å; V47-R116 CarbonylContact O-C 3.54Å; V47-R116 VanDerWaalsContact O-CA 3.26Å; V47-R116 WeakPolarHBondContact O-CA 3.35Å; V47-V117 PolarHBondContact N-O 3.08Å; V47-V117 PolarHBondContact O-N 3.41Å; V47-V119 HydrophobicContact CB-CG1 4.33Å; V47-V119 HydrophobicContact CG2-CB 4.41Å; V47-V119 HydrophobicContact CG2-CG1 3.49Å; V47-V119 VanDerWaalsContact CG2-CG1 3.49Å; V47-V119 HydrophobicContact CG2-CG2 4.05Å; V47-I142 HydrophobicContact CG2-CD1 4.09Å; V47-L144 HydrophobicContact CG1-CD2 4.26Å; V47-L144 HydrophobicContact CG2-CD2 4.21Å
48V92.3Very high86.9Confident18 Ų1838.7 Ų38.711%0.10919%0.194CC..EExtended strand (participates in β ladder)trans-122.1129.8-174.6-175.70000110.1W46 E89 I90 L91 A92 D115 R116W46-V48 HydrophobicContact CB-CG2 4.33Å; V48-E89 HydrophobicContact CG2-CB 4.14Å; V48-E89 HydrophobicContact CG2-CG 4.13Å; V48-I90 PolarHBondContact N-O 3.4Å; V48-L91 HydrophobicContact CB-CD2 4.31Å; V48-L91 WeakPolarHBondContact O-CA 3.4Å; V48-A92 PolarHBondContact O-N 3.26Å; V48-D115 CarbonylContact C-O 3.55Å; V48-D115 WeakPolarHBondContact CA-O 3.48Å; V48-R116 HydrophobicContact CG2-CB 4.13Å
49A88.4Confident86.4Confident1 Ų139.2 Ų39.21%0.00820%0.195CC..EExtended strand (participates in β ladder)trans-77.4131.5-178.800000112A92 I94 L110 A112 G114 D115A49-A92 CarbonylContact C-O 3.59Å; A49-A92 WeakPolarHBondContact CA-O 3.5Å; A49-I94 HydrophobicContact CB-CG1 4.28Å; A49-L110 HydrophobicContact CB-CB 4.08Å; A49-L110 HydrophobicContact CB-CD2 4.02Å; A49-A112 WeakPolarHBondContact CB-O 3.43Å; A49-G114 PolarHBondContact O-N 3.23Å; A49-D115 HydrophobicContact CB-CB 4.14Å; A49-D115 PolarHBondContact N-O 3.21Å
50T83.9Confident85.9Confident34 Ų3443.2 Ų43.221%0.20921%0.214CC..  trans-145141-179.7-49.70000111.9N52 A92T50-N52 VanDerWaalsContact C-N 3.32Å; T50-N52 PolarHBondContact O-N 3.3Å; T50-A92 PolarHBondContact N-O 2.61Å
51N68.9Low85.5Confident70 Ų7049.1 Ų49.137%0.37424%0.239SC..THydrogen-bonded Turntrans-68.4-23.1-176.2-88-45.8000115.5I94 E113N51-I94 WeakPolarHBondContact OD1-CD1 3.2Å; N51-E113 WeakPolarHBondContact CB-OE1 3.38Å; N51-E113 PolarHBondContact N-OE1 3.01Å; N51-E113 VanDerWaalsContact N-OE1 3.12Å; N51-E113 PolarHBondContact ND2-OE1 2.64Å; N51-E113 PolarHBondContact ND2-OE2 3.2Å
52N72.3Confident85Confident126 Ų12648.4 Ų48.467%0.67423%0.231SC*.THydrogen-bonded Turntrans-103.813.1-172.5-73.8-15.1000114.6T50 R57T50-N52 VanDerWaalsContact C-N 3.32Å; T50-N52 PolarHBondContact O-N 3.3Å; N52-R57 PolarHBondContact O-NH1 2.89Å
53M77.9Confident84.4Confident33 Ų3353.3 Ų53.316%0.16326%0.262CS..  trans-110.2152.7-179.5-159.858.688.300112R57 I58 L91 P93M53-R57 HydrophobicContact SD-CB 3.93Å; M53-I58 HydrophobicContact CG-CD1 4.39Å; M53-I58 HydrophobicContact CG-CG1 4.03Å; M53-I58 HydrophobicContact SD-CG1 4.43Å; M53-L91 HydrophobicContact CE-CB 3.56Å; M53-L91 HydrophobicContact CE-CD1 3.78Å; M53-L91 HydrophobicContact CE-CG 4.31Å; M53-L91 HydrophobicContact CG-CB 4.33Å; M53-L91 WeakPolarHBondContact CG-O 3.41Å; M53-P93 WeakPolarHBondContact O-CB 3.46Å
54T76.4Confident83.8Confident67 Ų6760.7 Ų60.741%0.41130%0.301SS..  trans-134.4152.5170.361.10000109.5K56 R57 I58T54-K56 PolarHBondContact O-N 3.2Å; T54-R57 WeakPolarHBondContact O-CB 3.34Å; T54-R57 PolarHBondContact O-N 3.01Å; T54-R57 WeakPolarHBondContact OG1-CG 3.49Å; T54-R57 PolarHBondContact OG1-N 3.06Å; T54-I58 PolarHBondContact O-N 3.34Å; T54-I58 VanDerWaalsContact O-N 3.16Å
55L77.8Confident83.4Confident3 Ų362.9 Ų62.92%0.01631%0.309CS..Hα-helixtrans-59.9-32.9178.4-68.9-178.3000112.5V16 D17 L19 I58 K59 P93 I96 L144 L146V16-L55 HydrophobicContact CB-CB 4.27Å; V16-L55 HydrophobicContact CG1-CB 4.18Å; V16-L55 WeakPolarHBondContact O-CB 3.4Å; D17-L55 WeakPolarHBondContact O-CD1 3.48Å; L19-L55 HydrophobicContact CB-CD2 4.25Å; L19-L55 HydrophobicContact CD2-CD2 4.48Å; L55-I58 HydrophobicContact CD2-CD1 3.91Å; L55-I58 PolarHBondContact O-N 3.16Å; L55-K59 PolarHBondContact O-N 2.79Å; L55-P93 HydrophobicContact CD2-CG 4.42Å; L55-P93 HydrophobicContact CG-CG 4.23Å; L55-I96 HydrophobicContact CD2-CD1 3.61Å; L55-I96 HydrophobicContact CG-CD1 4.24Å; L55-L144 HydrophobicContact CD2-CB 3.83Å; L55-L144 HydrophobicContact CD2-CD1 3.92Å; L55-L146 HydrophobicContact CD1-CB 4Å; L55-L146 HydrophobicContact CD1-CD1 4.37Å; L55-L146 HydrophobicContact CG-CD1 4.39Å
56K75.8Confident83.3Confident59 Ų5968.5 Ų68.526%0.25733%0.33SS..Hα-helixtrans-60-47.7172.1-167.4-145.9-178.7-178.90111.7N14 V16 T54 I58 K59 D60N14-K56 HydrophobicContact CB-CD 4.08Å; N14-K56 VanDerWaalsContact CB-CE 3.44Å; N14-K56 VanDerWaalsContact CB-NZ 3.31Å; N14-K56 VanDerWaalsContact CG-CE 3.49Å; N14-K56 VanDerWaalsContact CG-NZ 3.25Å; N14-K56 PolarHBondContact ND2-NZ 2.73Å; N14-K56 VanDerWaalsContact ND2-NZ 3.12Å; N14-K56 WeakPolarHBondContact O-CD 3.22Å; N14-K56 VanDerWaalsContact O-CG 3.28Å; N14-K56 WeakPolarHBondContact O-CG 3.45Å; V16-K56 HydrophobicContact CB-CB 4.42Å; V16-K56 HydrophobicContact CG2-CB 4.15Å; V16-K56 HydrophobicContact CG2-CG 4.25Å; T54-K56 PolarHBondContact O-N 3.2Å; K56-I58 PolarHBondContact O-N 3.2Å; K56-K59 WeakPolarHBondContact O-CB 3.25Å; K56-K59 PolarHBondContact O-N 2.95Å; K56-K59 VanDerWaalsContact O-N 3.09Å; K56-D60 VanDerWaalsContact CE-OD2 3.22Å; K56-D60 WeakPolarHBondContact CE-OD2 3.08Å; K56-D60 IonicContact NZ-OD2 2.96Å; K56-D60 VanDerWaalsContact O-CG 3.23Å; K56-D60 PolarHBondContact O-N 3.4Å
57R81.1Confident83.3Confident147 Ų14766.5 Ų66.556%0.55532%0.323SS*.Hα-helixtrans-59.2-36.9176.9-78.5178.6176.2-169.6-4.1112.1N52 M53 T54 D60 K61N52-R57 PolarHBondContact O-NH1 2.89Å; M53-R57 HydrophobicContact SD-CB 3.93Å; T54-R57 WeakPolarHBondContact O-CB 3.34Å; T54-R57 PolarHBondContact O-N 3.01Å; T54-R57 WeakPolarHBondContact OG1-CG 3.49Å; T54-R57 PolarHBondContact OG1-N 3.06Å; R57-D60 PolarHBondContact O-N 3.45Å; R57-K61 WeakPolarHBondContact O-CB 3.48Å; R57-K61 PolarHBondContact O-N 2.97Å
58I84.7Confident83.4Confident3 Ų369.4 Ų69.42%0.01534%0.341CS..Hα-helixtrans-64.4-47.4174.8-56.4170.1000110.2L19 M53 T54 L55 K56 D60 K61 Y62 F67 L91 A92 L144L19-I58 HydrophobicContact CD2-CB 3.79Å; L19-I58 HydrophobicContact CD2-CG2 3.63Å; M53-I58 HydrophobicContact CG-CD1 4.39Å; M53-I58 HydrophobicContact CG-CG1 4.03Å; M53-I58 HydrophobicContact SD-CG1 4.43Å; T54-I58 PolarHBondContact O-N 3.34Å; T54-I58 VanDerWaalsContact O-N 3.16Å; L55-I58 HydrophobicContact CD2-CD1 3.91Å; L55-I58 PolarHBondContact O-N 3.16Å; K56-I58 PolarHBondContact O-N 3.2Å; I58-D60 VanDerWaalsContact C-N 3.33Å; I58-D60 PolarHBondContact O-N 3.26Å; I58-K61 PolarHBondContact O-N 3.29Å; I58-Y62 HydrophobicContact CG2-CD2 4.11Å; I58-Y62 WeakPolarHBondContact O-CB 3.42Å; I58-Y62 WeakPolarHBondContact O-CD2 3.49Å; I58-Y62 PolarHBondContact O-N 2.96Å; I58-F67 HydrophobicContact CG2-CZ 4.19Å; I58-L91 WeakPolarHBondContact CD1-O 3.43Å; I58-L91 WeakPolarHBondContact CG1-O 3.35Å; I58-A92 HydrophobicContact CD1-CB 4.27Å; I58-L144 HydrophobicContact CD1-CD1 4.35Å
59K82.5Confident83.4Confident91 Ų9168.8 Ų68.840%0.39634%0.337SS..Hα-helixtrans-59.6-43177.4179.9-173.9172.2-173.40112.3V16 L19 L55 K56 Y62V16-K59 HydrophobicContact CG2-CD 4.04Å; L19-K59 HydrophobicContact CD1-CB 4.09Å; L19-K59 HydrophobicContact CD1-CG 4.43Å; L55-K59 PolarHBondContact O-N 2.79Å; K56-K59 WeakPolarHBondContact O-CB 3.25Å; K56-K59 PolarHBondContact O-N 2.95Å; K56-K59 VanDerWaalsContact O-N 3.09Å; K59-Y62 CarbonylContact O-C 3.45Å
60D82.4Confident83.7Confident92 Ų9270 Ų7049%0.49235%0.351SS..Hα-helixtrans-72.3-41-178-63.9-16.6000111.1K56 R57 I58K56-D60 VanDerWaalsContact CE-OD2 3.22Å; K56-D60 WeakPolarHBondContact CE-OD2 3.08Å; K56-D60 IonicContact NZ-OD2 2.96Å; K56-D60 VanDerWaalsContact O-CG 3.23Å; K56-D60 PolarHBondContact O-N 3.4Å; R57-D60 PolarHBondContact O-N 3.45Å; I58-D60 VanDerWaalsContact C-N 3.33Å; I58-D60 PolarHBondContact O-N 3.26Å
61K85.4Confident84.3Confident128 Ų12872.4 Ų72.456%0.55737%0.369SS*.Hα-helixtrans-71.6-32.3178.2-173.4177.4177.3-163.40112.8R57 I58 P63R57-K61 WeakPolarHBondContact O-CB 3.48Å; R57-K61 PolarHBondContact O-N 2.97Å; I58-K61 PolarHBondContact O-N 3.29Å; K61-P63 WeakPolarHBondContact O-CD 3.44Å
62Y86.5Confident85.5Confident70 Ų7069.4 Ų69.428%0.27535%0.354SS..  trans-123.978.3-177.6-56.5-82.8000111.2I58 K59 L64 K65 F67I58-Y62 HydrophobicContact CG2-CD2 4.11Å; I58-Y62 WeakPolarHBondContact O-CB 3.42Å; I58-Y62 WeakPolarHBondContact O-CD2 3.49Å; I58-Y62 PolarHBondContact O-N 2.96Å; K59-Y62 CarbonylContact O-C 3.45Å; Y62-L64 PolarHBondContact O-N 2.74Å; Y62-K65 WeakPolarHBondContact O-CG 3.39Å; Y62-K65 PolarHBondContact O-N 2.79Å; Y62-F67 AromaticContact CD1-CE1 3.76Å; Y62-F67 HydrophobicContact CD1-CE1 3.76Å; Y62-F67 AromaticContact CD1-CZ 3.96Å; Y62-F67 HydrophobicContact CD1-CZ 3.96Å; Y62-F67 AromaticContact CD2-CE1 3.84Å; Y62-F67 HydrophobicContact CD2-CE1 3.84Å; Y62-F67 AromaticContact CD2-CZ 3.5Å; Y62-F67 HydrophobicContact CD2-CZ 3.5Å; Y62-F67 AromaticContact CE1-CE1 3.71Å; Y62-F67 HydrophobicContact CE1-CE1 3.71Å; Y62-F67 HydrophobicContact CE1-CZ 4.3Å; Y62-F67 AromaticContact CE2-CE1 3.79Å; Y62-F67 HydrophobicContact CE2-CE1 3.79Å; Y62-F67 AromaticContact CE2-CZ 3.88Å; Y62-F67 HydrophobicContact CE2-CZ 3.88Å; Y62-F67 AromaticContact CG-CE1 3.83Å; Y62-F67 HydrophobicContact CG-CE1 3.83Å; Y62-F67 AromaticContact CG-CZ 3.55Å; Y62-F67 HydrophobicContact CG-CZ 3.55Å; Y62-F67 AromaticContact CZ-CE1 3.73Å
63P81.5Confident86.6Confident105 Ų10565.5 Ų65.568%0.68234%0.339SS*.THydrogen-bonded Turntrans-58.3-34.4-178.4-24.333.1000113.4K61 K65K61-P63 WeakPolarHBondContact O-CD 3.44Å; P63-K65 VanDerWaalsContact C-N 3.3Å; P63-K65 PolarHBondContact O-N 2.92Å
64L83.5Confident87.3Confident155 Ų15568.9 Ų68.981%0.81236%0.358SS*.THydrogen-bonded Turntrans-78.4-11.3178.3-63.2175.1000113.5Y62 R66Y62-L64 PolarHBondContact O-N 2.74Å; L64-R66 HydrophobicContact CB-CB 4.42Å; L64-R66 PolarHBondContact O-N 3.47Å
65K88.2Confident88Confident73 Ų7366.2 Ų66.232%0.31734%0.342SS..  trans49.433.7178.3-58.3177.1-175.9-179.90113.8L19 R20 L21 Y22 Y62 P63L19-K65 HydrophobicContact CD1-CD 4.11Å; R20-K65 WeakPolarHBondContact O-CD 3.26Å; L21-K65 HydrophobicContact CD2-CB 3.8Å; L21-K65 HydrophobicContact CD2-CG 4.21Å; Y22-K65 PolarHBondContact N-O 2.93Å; Y62-K65 WeakPolarHBondContact O-CG 3.39Å; Y62-K65 PolarHBondContact O-N 2.79Å; P63-K65 VanDerWaalsContact C-N 3.3Å; P63-K65 PolarHBondContact O-N 2.92Å
66R93.1Very high88.6Confident118 Ų11868.6 Ų68.645%0.44536%0.359SS..EExtended strand (participates in β ladder)trans-120.3121.2-171.6174.7169.9-174.5106.40.6109.7Y22 L64 V68Y22-R66 HydrophobicContact CD1-CB 4.45Å; Y22-R66 HydrophobicContact CD1-CG 3.81Å; Y22-R66 HydrophobicContact CE1-CG 4.34Å; Y22-R66 VanDerWaalsContact CZ-NH1 3.3Å; Y22-R66 WeakPolarHBondContact O-CA 3.47Å; L64-R66 HydrophobicContact CB-CB 4.42Å; L64-R66 PolarHBondContact O-N 3.47Å; R66-V68 HydrophobicContact CG-CG2 3.97Å
67F93.8Very high89.2Confident3 Ų371.2 Ų71.21%0.01338%0.38CS..EExtended strand (participates in β ladder)trans-122128.7178.1-62.3-86.9000109.7L21 Y22 V23 R24 V45 I58 Y62 E88 I90L21-F67 HydrophobicContact CD1-CD2 4.25Å; L21-F67 HydrophobicContact CD1-CE2 3.82Å; L21-F67 HydrophobicContact CD2-CE2 3.88Å; L21-F67 HydrophobicContact CG-CE2 4.31Å; Y22-F67 PolarHBondContact O-N 3.19Å; V23-F67 WeakPolarHBondContact CA-O 3.47Å; V23-F67 HydrophobicContact CG1-CB 4.38Å; R24-F67 PolarHBondContact N-O 3.42Å; V45-F67 HydrophobicContact CG1-CB 4.25Å; I58-F67 HydrophobicContact CG2-CZ 4.19Å; Y62-F67 AromaticContact CD1-CE1 3.76Å; Y62-F67 HydrophobicContact CD1-CE1 3.76Å; Y62-F67 AromaticContact CD1-CZ 3.96Å; Y62-F67 HydrophobicContact CD1-CZ 3.96Å; Y62-F67 AromaticContact CD2-CE1 3.84Å; Y62-F67 HydrophobicContact CD2-CE1 3.84Å; Y62-F67 AromaticContact CD2-CZ 3.5Å; Y62-F67 HydrophobicContact CD2-CZ 3.5Å; Y62-F67 AromaticContact CE1-CE1 3.71Å; Y62-F67 HydrophobicContact CE1-CE1 3.71Å; Y62-F67 HydrophobicContact CE1-CZ 4.3Å; Y62-F67 AromaticContact CE2-CE1 3.79Å; Y62-F67 HydrophobicContact CE2-CE1 3.79Å; Y62-F67 AromaticContact CE2-CZ 3.88Å; Y62-F67 HydrophobicContact CE2-CZ 3.88Å; Y62-F67 AromaticContact CG-CE1 3.83Å; Y62-F67 HydrophobicContact CG-CE1 3.83Å; Y62-F67 AromaticContact CG-CZ 3.55Å; Y62-F67 HydrophobicContact CG-CZ 3.55Å; Y62-F67 AromaticContact CZ-CE1 3.73Å; F67-E88 HydrophobicContact CB-CG 4.2Å; F67-E88 HydrophobicContact CD1-CG 4.34Å; F67-I90 HydrophobicContact CB-CD1 3.77Å; F67-I90 HydrophobicContact CB-CG1 4.02Å; F67-I90 HydrophobicContact CD1-CD1 4.18Å; F67-I90 HydrophobicContact CD1-CG1 3.64Å; F67-I90 HydrophobicContact CD2-CD1 3.59Å; F67-I90 HydrophobicContact CD2-CG1 3.93Å; F67-I90 HydrophobicContact CE1-CG1 4Å; F67-I90 HydrophobicContact CE1-CG2 4.39Å; F67-I90 HydrophobicContact CE2-CD1 4.19Å; F67-I90 HydrophobicContact CE2-CG1 4.28Å; F67-I90 HydrophobicContact CE2-CG2 4.25Å; F67-I90 HydrophobicContact CG-CD1 3.57Å; F67-I90 HydrophobicContact CG-CG1 3.58Å; F67-I90 HydrophobicContact CZ-CG1 4.3Å; F67-I90 HydrophobicContact CZ-CG2 4.09Å
68V94.1Very high89.5Confident62 Ų6276 Ų7638%0.37640%0.398SS..EExtended strand (participates in β ladder)trans-134.3123.2-173.8-172.30000109.6R24 R66R24-V68 HydrophobicContact CB-CG1 4.33Å; R24-V68 HydrophobicContact CB-CG2 4.34Å; R24-V68 HydrophobicContact CG-CG1 4.26Å; R24-V68 CarbonylContact O-C 3.48Å; R24-V68 VanDerWaalsContact O-CA 3.26Å; R24-V68 WeakPolarHBondContact O-CA 3.44Å; R66-V68 HydrophobicContact CG-CG2 3.97Å
69G93.8Very high89.6Confident4 Ų478.3 Ų78.34%0.04142%0.417CS..PPolyproline II helixtrans-65.8150173.400000111.8R24 G26R24-G69 PolarHBondContact O-N 3.32Å; G26-G69 WeakPolarHBondContact CA-O 3.43Å
70G95.3Very high89.8Confident28 Ų2877.9 Ų77.929%0.28942%0.419SS..PPolyproline II helixtrans-63.4144.4178.400000112.4G26 G43 K86G26-G70 WeakPolarHBondContact CA-O 3.32Å; G43-G70 PolarHBondContact N-O 3.03Å; G70-K86 WeakPolarHBondContact CA-O 3.5Å; G70-K86 PolarHBondContact N-O 3.14Å
71S95.7Very high90.2Very high84 Ų8481.6 Ų81.659%0.58743%0.43SS*.PPolyproline II helixtrans-69.8145.4174.8-61.70000111.4T27 G85T27-S71 WeakPolarHBondContact O-CA 3.4Å; S71-G85 WeakPolarHBondContact O-CA 3.47Å
72G94.4Very high90.5Very high6 Ų676 Ų766%0.06241%0.409CS..PPolyproline II helixtrans-68.3145.7170.100000111.1T27 G29 N41T27-G72 PolarHBondContact O-N 3.1Å; G29-G72 VanDerWaalsContact CA-O 3.3Å; G29-G72 WeakPolarHBondContact CA-O 3.38Å; N41-G72 WeakPolarHBondContact O-CA 3.48Å
73A94.4Very high90.9Very high44 Ų4480 Ų8036%0.36443%0.43SS..PPolyproline II helixtrans-73.3145.417900000111.1G40 G82 E83G40-A73 PolarHBondContact N-O 3.43Å; A73-G82 WeakPolarHBondContact O-CA 3.5Å; A73-E83 HydrophobicContact CB-CB 4.31Å; A73-E83 PolarHBondContact N-O 3.02Å
74N93.7Very high91.6Very high104 Ų10480.2 Ų80.256%0.55642%0.42SS*.PPolyproline II helixtrans-71.6147.7173.6-61.1-22000109.9M30M30-N74 HydrophobicContact CB-CB 4.39Å; M30-N74 WeakPolarHBondContact CB-OD1 3.21Å; M30-N74 PolarHBondContact N-OD1 3.2Å; M30-N74 CarbonylContact O-C 3.59Å; M30-N74 VanDerWaalsContact O-CA 3.29Å; M30-N74 WeakPolarHBondContact O-CA 3.42Å
75S90.2Very high92.1Very high12 Ų1273.2 Ų73.28%0.08439%0.386CS..PPolyproline II helixtrans-71.7147.2165.759.60000110.4M30 A31 L32 A79 L80M30-S75 PolarHBondContact O-N 2.93Å; M30-S75 PolarHBondContact O-OG 3.2Å; A31-S75 VanDerWaalsContact CA-OG 3.22Å; A31-S75 WeakPolarHBondContact CA-OG 3.28Å; L32-S75 VanDerWaalsContact CB-OG 3.26Å; L32-S75 WeakPolarHBondContact CB-OG 3.44Å; L32-S75 PolarHBondContact N-OG 3.46Å; S75-A79 WeakPolarHBondContact CA-O 3.19Å; S75-L80 VanDerWaalsContact CB-O 3.29Å; S75-L80 WeakPolarHBondContact CB-O 3.41Å
76S89.9Confident92.5Very high52 Ų5278.4 Ų78.436%0.36441%0.408SS..  trans-134.7170.9177.2700000110.8R78 A79 L80S76-R78 PolarHBondContact O-N 3.38Å; S76-R78 PolarHBondContact OG-N 2.83Å; S76-A79 PolarHBondContact N-O 2.94Å; S76-A79 CarbonylContact O-C 3.14Å; S76-A79 PolarHBondContact O-N 3.15Å; S76-A79 VanDerWaalsContact O-N 3.13Å; S76-A79 VanDerWaalsContact O-O 3.08Å; S76-A79 PolarHBondContact OG-N 3.36Å; S76-A79 VanDerWaalsContact OG-N 3.16Å; S76-L80 PolarHBondContact O-N 3.3Å
77V89.6Confident92.6Very high115 Ų11575.4 Ų75.470%0.69740%0.401SS*.SBendtrans-58.2-30.1175.3-1760000111.8L32 L35L32-V77 HydrophobicContact CD2-CG2 4.06Å; L35-V77 HydrophobicContact CD1-CB 4.24Å; L35-V77 HydrophobicContact CD1-CG1 4.01Å; L35-V77 HydrophobicContact CD1-CG2 4.05Å
78R87.4Confident92.7Very high248 Ų24878.3 Ų78.394%0.93642%0.415SS*.SBendtrans-87.4-22.7179-64.2-178.9-178.3168.9-0113.5S76S76-R78 PolarHBondContact O-N 3.38Å; S76-R78 PolarHBondContact OG-N 2.83Å
79A86Confident92.7Very high50 Ų5080.4 Ų80.441%0.41342%0.42SS..  trans-14393.8-17800000109.3S75 S76 K81S75-A79 WeakPolarHBondContact CA-O 3.19Å; S76-A79 PolarHBondContact N-O 2.94Å; S76-A79 CarbonylContact O-C 3.14Å; S76-A79 PolarHBondContact O-N 3.15Å; S76-A79 VanDerWaalsContact O-N 3.13Å; S76-A79 VanDerWaalsContact O-O 3.08Å; S76-A79 PolarHBondContact OG-N 3.36Å; S76-A79 VanDerWaalsContact OG-N 3.16Å; A79-K81 PolarHBondContact O-N 2.98Å
80L87.8Confident92.6Very high83 Ų8380.3 Ų80.344%0.43542%0.419SS..SBendtrans-67.6-20.1-175.8-68.2174.5000113L35 G37 H38 S75 S76L35-L80 HydrophobicContact CB-CD2 3.51Å; L35-L80 HydrophobicContact CD1-CD2 4.06Å; L35-L80 HydrophobicContact CG-CD2 4.44Å; G37-L80 CarbonylContact C-O 3.59Å; G37-L80 WeakPolarHBondContact CA-O 3.47Å; H38-L80 PolarHBondContact N-O 3.48Å; S75-L80 VanDerWaalsContact CB-O 3.29Å; S75-L80 WeakPolarHBondContact CB-O 3.41Å; S76-L80 PolarHBondContact O-N 3.3Å
81K90.6Very high92.4Very high169 Ų16982 Ų8274%0.73542%0.421SS*.BIsolated β-bridgetrans-113.3118.2175.5-171.1177.2-178.1179.50110.1H38 A79H38-K81 CarbonylContact O-C 3.56Å; H38-K81 WeakPolarHBondContact O-CA 3.34Å; A79-K81 PolarHBondContact O-N 2.98Å
82G91.4Very high92Very high10 Ų1078 Ų7810%0.10339%0.393CS..PPolyproline II helixtrans-72.4142.5174.900000112.3H38 G40 A73H38-G82 PolarHBondContact O-N 2.73Å; G40-G82 WeakPolarHBondContact CA-O 3.39Å; A73-G82 WeakPolarHBondContact O-CA 3.5Å
83E94.8Very high91.4Very high155 Ų15578.1 Ų78.172%0.72439%0.393SS*.PPolyproline II helixtrans-71.3149.3174.8-63.8-175.4167.400112.2G40 A73G40-E83 WeakPolarHBondContact CA-O 3.09Å; A73-E83 HydrophobicContact CB-CB 4.31Å; A73-E83 PolarHBondContact N-O 3.02Å
84K95.3Very high90.7Very high109 Ų10976.5 Ų76.547%0.47438%0.378SS..PPolyproline II helixtrans-68.2136.1174.1-172.2-168.8165.2-161.50109.6N41 D87N41-K84 HydrophobicContact CB-CG 4.22Å; N41-K84 CarbonylContact O-C 3.6Å; N41-K84 VanDerWaalsContact O-CA 3.3Å; N41-K84 WeakPolarHBondContact O-CA 3.47Å; N41-K84 WeakPolarHBondContact O-CG 3.38Å; K84-D87 WeakPolarHBondContact CE-OD1 3.44Å; K84-D87 VanDerWaalsContact NZ-CG 3.26Å; K84-D87 IonicContact NZ-OD1 3.4Å; K84-D87 PolarHBondContact NZ-OD1 2.98Å; K84-D87 IonicContact NZ-OD2 2.78Å; K84-D87 PolarHBondContact NZ-OD2 3.1Å
85G94.3Very high89.9Confident8 Ų871.7 Ų71.78%0.08235%0.353CS..PPolyproline II helixtrans-61.6149.9171.600000112.1N41 G43 S71 D87N41-G85 PolarHBondContact O-N 3.38Å; G43-G85 WeakPolarHBondContact CA-O 3.4Å; S71-G85 WeakPolarHBondContact O-CA 3.47Å; G85-D87 PolarHBondContact O-N 3.5Å
86K96.5Very high89.4Confident182 Ų18271.1 Ų71.179%0.79135%0.349SS*.PPolyproline II helixtrans-62.7132.9179.1-64.8-174.4179.3-177.50110.8G70G70-K86 WeakPolarHBondContact CA-O 3.5Å; G70-K86 PolarHBondContact N-O 3.14Å
87D96.1Very high89.1Confident56 Ų5669.9 Ų69.930%0.29934%0.339SS..PPolyproline II helixtrans-71.3147.1172.5-71.90000109.5G43 N44 W46 K84 G85G43-D87 VanDerWaalsContact CA-OD1 3.28Å; G43-D87 WeakPolarHBondContact CA-OD1 3.41Å; N44-D87 PolarHBondContact N-OD1 2.98Å; N44-D87 CarbonylContact O-C 3.4Å; N44-D87 VanDerWaalsContact O-CA 3.28Å; N44-D87 WeakPolarHBondContact O-CA 3.5Å; W46-D87 PolarHBondContact NE1-OD2 3.36Å; K84-D87 WeakPolarHBondContact CE-OD1 3.44Å; K84-D87 VanDerWaalsContact NZ-CG 3.26Å; K84-D87 IonicContact NZ-OD1 3.4Å; K84-D87 PolarHBondContact NZ-OD1 2.98Å; K84-D87 IonicContact NZ-OD2 2.78Å; K84-D87 PolarHBondContact NZ-OD2 3.1Å; G85-D87 PolarHBondContact O-N 3.5Å
88E95.1Very high89Confident63 Ų6364.4 Ų64.429%0.29431%0.306SS..EExtended strand (participates in β ladder)trans-107.2127.6177.6-178.867.5-171.700109.1N44 V45 W46 F67N44-E88 PolarHBondContact O-N 3.15Å; V45-E88 CarbonylContact C-O 3.4Å; V45-E88 WeakPolarHBondContact CA-O 3.28Å; V45-E88 HydrophobicContact CG1-CB 4.43Å; V45-E88 HydrophobicContact CG2-CB 4.33Å; W46-E88 PolarHBondContact N-O 3.34Å; F67-E88 HydrophobicContact CB-CG 4.2Å; F67-E88 HydrophobicContact CD1-CG 4.34Å
89E93.8Very high88.8Confident106 Ų10653.6 Ų53.650%0.49527%0.268SS..EExtended strand (participates in β ladder)trans-112.4119.7-178.3-65.4-175.4171.700111.3W46 V48W46-E89 HydrophobicContact CB-CG 4.48Å; V48-E89 HydrophobicContact CG2-CB 4.14Å; V48-E89 HydrophobicContact CG2-CG 4.13Å
90I92Very high88.7Confident2 Ų251.8 Ų51.81%0.0125%0.252CS..EExtended strand (participates in β ladder)trans-93.2102.4175.2-54171000107.5L21 V23 V45 W46 V47 V48 F67 A92L21-I90 HydrophobicContact CD1-CD1 4.33Å; L21-I90 HydrophobicContact CD1-CG2 4.03Å; V23-I90 HydrophobicContact CG1-CD1 3.7Å; V45-I90 HydrophobicContact CG1-CD1 3.74Å; V45-I90 HydrophobicContact CG1-CG1 4.14Å; W46-I90 PolarHBondContact O-N 3.01Å; V47-I90 CarbonylContact C-O 3.47Å; V47-I90 WeakPolarHBondContact CA-O 3.41Å; V47-I90 HydrophobicContact CG2-CB 4.19Å; V47-I90 HydrophobicContact CG2-CD1 4.26Å; V48-I90 PolarHBondContact N-O 3.4Å; F67-I90 HydrophobicContact CB-CD1 3.77Å; F67-I90 HydrophobicContact CB-CG1 4.02Å; F67-I90 HydrophobicContact CD1-CD1 4.18Å; F67-I90 HydrophobicContact CD1-CG1 3.64Å; F67-I90 HydrophobicContact CD2-CD1 3.59Å; F67-I90 HydrophobicContact CD2-CG1 3.93Å; F67-I90 HydrophobicContact CE1-CG1 4Å; F67-I90 HydrophobicContact CE1-CG2 4.39Å; F67-I90 HydrophobicContact CE2-CD1 4.19Å; F67-I90 HydrophobicContact CE2-CG1 4.28Å; F67-I90 HydrophobicContact CE2-CG2 4.25Å; F67-I90 HydrophobicContact CG-CD1 3.57Å; F67-I90 HydrophobicContact CG-CG1 3.58Å; F67-I90 HydrophobicContact CZ-CG1 4.3Å; F67-I90 HydrophobicContact CZ-CG2 4.09Å; I90-A92 PolarHBondContact O-N 3.45Å
91L91.4Very high88Confident65 Ų6550 Ų5034%0.3424%0.243SC..EExtended strand (participates in β ladder)trans-68.7126.7175.4-57.8179.9000110V48 M53 I58V48-L91 HydrophobicContact CB-CD2 4.31Å; V48-L91 WeakPolarHBondContact O-CA 3.4Å; M53-L91 HydrophobicContact CE-CB 3.56Å; M53-L91 HydrophobicContact CE-CD1 3.78Å; M53-L91 HydrophobicContact CE-CG 4.31Å; M53-L91 HydrophobicContact CG-CB 4.33Å; M53-L91 WeakPolarHBondContact CG-O 3.41Å; I58-L91 WeakPolarHBondContact CD1-O 3.43Å; I58-L91 WeakPolarHBondContact CG1-O 3.35Å
92A87Confident87.1Confident0 Ų048.5 Ų48.50%024%0.243CC..EExtended strand (participates in β ladder)trans-135150.6-176.900000111V47 V48 A49 T50 I58 I90 I96 L144V47-A92 HydrophobicContact CG1-CB 3.58Å; V48-A92 PolarHBondContact O-N 3.26Å; A49-A92 CarbonylContact C-O 3.59Å; A49-A92 WeakPolarHBondContact CA-O 3.5Å; T50-A92 PolarHBondContact N-O 2.61Å; I58-A92 HydrophobicContact CD1-CB 4.27Å; I90-A92 PolarHBondContact O-N 3.45Å; A92-I96 HydrophobicContact CB-CD1 3.58Å; A92-L144 HydrophobicContact CB-CD1 4.38Å
93P82.1Confident85.8Confident8 Ų850.8 Ų50.85%0.05227%0.266CS..  trans-61156.117417.7-26.5000112.6M53 L55 I96 L146M53-P93 WeakPolarHBondContact O-CB 3.46Å; L55-P93 HydrophobicContact CD2-CG 4.42Å; L55-P93 HydrophobicContact CG-CG 4.23Å; P93-I96 HydrophobicContact CB-CD1 4.4Å; P93-I96 HydrophobicContact CG-CD1 3.46Å; P93-I96 VanDerWaalsContact CG-CD1 3.46Å; P93-I96 HydrophobicContact CG-CG1 4.19Å; P93-I96 WeakPolarHBondContact O-CD1 3.24Å; P93-I96 WeakPolarHBondContact O-CG1 3.49Å; P93-L146 HydrophobicContact CB-CD1 3.91Å; P93-L146 HydrophobicContact CG-CD1 3.41Å; P93-L146 VanDerWaalsContact CG-CD1 3.41Å
94I80.3Confident84.8Confident9 Ų952.5 Ų52.55%0.04627%0.266CS..SBendtrans-65.7147.1171.1-52-176.8000110.3A49 N51 N111 E113 F181A49-I94 HydrophobicContact CB-CG1 4.28Å; N51-I94 WeakPolarHBondContact OD1-CD1 3.2Å; I94-N111 VanDerWaalsContact CG2-C 3.47Å; I94-N111 WeakPolarHBondContact CG2-O 3.43Å; I94-E113 HydrophobicContact CD1-CB 3.9Å; I94-F181 HydrophobicContact CG2-CD1 4.12Å
95G76Confident83.6Confident4 Ų452.8 Ų52.84%0.04127%0.272CS..SBendtrans82.832.1-178.300000112.6L110 K147G95-L110 WeakPolarHBondContact CA-O 3.43Å; G95-L110 PolarHBondContact N-O 3.35Å; G95-K147 WeakPolarHBondContact O-CB 3.27Å; G95-K147 PolarHBondContact O-N 2.83Å
96I80.3Confident82.3Confident0 Ų053.6 Ų53.60%027%0.274CS..EExtended strand (participates in β ladder)trans-97.8135.9176.4-77176.6000110.7L55 A92 P93 V98 L110 L144 D145 L146L55-I96 HydrophobicContact CD2-CD1 3.61Å; L55-I96 HydrophobicContact CG-CD1 4.24Å; A92-I96 HydrophobicContact CB-CD1 3.58Å; P93-I96 HydrophobicContact CB-CD1 4.4Å; P93-I96 HydrophobicContact CG-CD1 3.46Å; P93-I96 VanDerWaalsContact CG-CD1 3.46Å; P93-I96 HydrophobicContact CG-CG1 4.19Å; P93-I96 WeakPolarHBondContact O-CD1 3.24Å; P93-I96 WeakPolarHBondContact O-CG1 3.49Å; I96-V98 HydrophobicContact CG2-CG2 4.05Å; I96-L110 HydrophobicContact CB-CB 4.46Å; I96-L110 HydrophobicContact CB-CD1 4.17Å; I96-L110 HydrophobicContact CG2-CD1 4.09Å; I96-L110 PolarHBondContact N-O 3.17Å; I96-L110 PolarHBondContact O-N 3.08Å; I96-L144 HydrophobicContact CD1-CB 4.45Å; I96-L144 HydrophobicContact CG2-CB 4Å; I96-L144 HydrophobicContact CG2-CD2 4.09Å; I96-D145 WeakPolarHBondContact CA-O 3.49Å; I96-L146 HydrophobicContact CD1-CD1 4.17Å; I96-L146 HydrophobicContact CG1-CD1 3.78Å
97T83.3Confident80.5Confident25 Ų2553.6 Ų53.615%0.15328%0.277CS..EExtended strand (participates in β ladder)trans-97.4129.5163-50.90000108.7T99 I105 D145T97-T99 HydrophobicContact CG2-CG2 4.14Å; T97-I105 HydrophobicContact CG2-CG1 4.46Å; T97-I105 HydrophobicContact CG2-CG2 4.16Å; T97-D145 PolarHBondContact N-O 2.92Å; T97-D145 PolarHBondContact O-N 3.24Å
98V86.8Confident78.9Confident0 Ų052.9 Ų52.90%028%0.283CS..EExtended strand (participates in β ladder)trans-100.4115.1176.1-172.50000108.9V47 I96 L106 L110 V119 I142 R143 L144V47-V98 HydrophobicContact CG1-CG2 4.48Å; I96-V98 HydrophobicContact CG2-CG2 4.05Å; V98-L106 HydrophobicContact CG1-CB 4.4Å; V98-L106 HydrophobicContact CG1-CD1 4.31Å; V98-L106 PolarHBondContact O-N 2.86Å; V98-L110 HydrophobicContact CG2-CD1 3.78Å; V98-V119 HydrophobicContact CG1-CG1 3.8Å; V98-I142 HydrophobicContact CG1-CB 4.15Å; V98-I142 HydrophobicContact CG1-CD1 4.2Å; V98-I142 HydrophobicContact CG1-CG2 4.45Å; V98-R143 WeakPolarHBondContact CA-O 3.34Å; V98-L144 HydrophobicContact CB-CD2 4.38Å; V98-L144 HydrophobicContact CG1-CD2 4.06Å; V98-L144 HydrophobicContact CG2-CD2 3.75Å
99T84.5Confident77.7Confident21 Ų2153.7 Ų53.713%0.12929%0.287CS..EExtended strand (participates in β ladder)trans-112.4147.5178.656.20000110.5T97 I105 I142 R143 D145T97-T99 HydrophobicContact CG2-CG2 4.14Å; T99-I105 HydrophobicContact CG2-CG1 4.16Å; T99-I142 CarbonylContact O-C 3.46Å; T99-I142 VanDerWaalsContact O-CA 3.28Å; T99-I142 WeakPolarHBondContact O-CA 3.35Å; T99-R143 PolarHBondContact N-O 2.9Å; T99-R143 PolarHBondContact O-N 2.86Å; T99-R143 WeakPolarHBondContact OG1-CB 3.33Å; T99-R143 PolarHBondContact OG1-O 2.84Å; T99-D145 PolarHBondContact OG1-OD2 2.98Å
100S82.6Confident77.1Confident13 Ų1348.7 Ų48.79%0.09126%0.263CS..EExtended strand (participates in β ladder)trans-83.3164.1168.1-158.80000110.4D102 G103 R104S100-D102 PolarHBondContact O-N 3.03Å; S100-G103 PolarHBondContact O-N 2.87Å; S100-R104 PolarHBondContact N-O 2.8Å
101D75Confident76.2Confident46 Ų4651.7 Ų51.725%0.24628%0.28CS..THydrogen-bonded Turntrans-59.7-25.8175.4-90.6-21.6000113.4R20 G103 H141 R143R20-D101 IonicContact CZ-OD1 3.35Å; R20-D101 IonicContact CZ-OD2 2.62Å; R20-D101 VanDerWaalsContact CZ-OD2 3.23Å; R20-D101 IonicContact NE-OD1 3.1Å; R20-D101 PolarHBondContact NE-OD1 3.31Å; R20-D101 IonicContact NE-OD2 2.71Å; R20-D101 PolarHBondContact NE-OD2 2.83Å; R20-D101 VanDerWaalsContact NE-OD2 3.14Å; R20-D101 IonicContact NH2-OD1 2.86Å; R20-D101 IonicContact NH2-OD2 3.14Å; R20-D101 PolarHBondContact NH2-OD2 2.65Å; D101-G103 PolarHBondContact O-N 2.87Å; D101-G103 VanDerWaalsContact O-N 3.17Å; D101-H141 HydrophobicContact CB-CB 4.47Å; D101-H141 PolarHBondContact N-O 3.39Å; D101-H141 WeakPolarHBondContact OD2-CB 3.33Å; D101-H141 IonicContact OD2-CD2 2.79Å; D101-H141 IonicContact OD2-CG 2.65Å; D101-R143 IonicContact OD1-CZ 3.14Å; D101-R143 IonicContact OD1-NE 2.74Å; D101-R143 PolarHBondContact OD1-NE 2.94Å; D101-R143 IonicContact OD1-NH2 3.65Å; D101-R143 PolarHBondContact OD1-NH2 3.23Å
102D71.4Confident75.5Confident136 Ų13650.6 Ų50.673%0.72728%0.279SS*.THydrogen-bonded Turntrans-74.76174.7-55.6-34.3000113.1S100 R104S100-D102 PolarHBondContact O-N 3.03Å; D102-R104 PolarHBondContact O-N 2.9Å
103G62.9Low75.2Confident58 Ų5855.9 Ų55.960%0.59830%0.304SS*.SBendtrans75.7-0.8-179.600000114.6S100 D101S100-G103 PolarHBondContact O-N 2.87Å; D101-G103 PolarHBondContact O-N 2.87Å; D101-G103 VanDerWaalsContact O-N 3.17Å
104R73.3Confident75.3Confident191 Ų19157.8 Ų57.872%0.72133%0.326SS*.PPolyproline II helixtrans-75.4129175.5-63.2-175.5-176.5-174.91.3110.2S100 D102 L106S100-R104 PolarHBondContact N-O 2.8Å; D102-R104 PolarHBondContact O-N 2.9Å; R104-L106 PolarHBondContact O-N 2.94Å
105I71.4Confident75.7Confident116 Ų11660.1 Ų60.160%0.59534%0.338SS*.EExtended strand (participates in β ladder)trans-65.7121.3170.8-59.7169.5000107.3T97 T99T97-I105 HydrophobicContact CG2-CG1 4.46Å; T97-I105 HydrophobicContact CG2-CG2 4.16Å; T99-I105 HydrophobicContact CG2-CG1 4.16Å
106L65.6Low76.4Confident25 Ų2568.1 Ų68.113%0.13137%0.367CS..EExtended strand (participates in β ladder)trans-81.8135.5175.5-66.5171.5000107.6V98 R104 G108 I142V98-L106 HydrophobicContact CG1-CB 4.4Å; V98-L106 HydrophobicContact CG1-CD1 4.31Å; V98-L106 PolarHBondContact O-N 2.86Å; R104-L106 PolarHBondContact O-N 2.94Å; L106-G108 PolarHBondContact O-N 2.7Å; L106-G108 VanDerWaalsContact O-N 3.11Å; L106-I142 HydrophobicContact CD1-CB 4.49Å; L106-I142 HydrophobicContact CD1-CG2 3.52Å
107E60.3Low76.9Confident181 Ų18168.4 Ų68.485%0.84637%0.369SS*.EExtended strand (participates in β ladder)trans-38.5108.8-163.9-62.4-168.1-176.700115.3V117E107-V117 WeakPolarHBondContact O-CG1 3.36Å; E107-V117 WeakPolarHBondContact O-CG2 3.27Å
108G62.6Low77.3Confident41 Ų4170.5 Ų70.542%0.42338%0.379SS..EExtended strand (participates in β ladder)trans105.5134.5166.100000115.6L106L106-G108 PolarHBondContact O-N 2.7Å; L106-G108 VanDerWaalsContact O-N 3.11Å
109E69.3Low77.5Confident81 Ų8170.6 Ų70.638%0.37938%0.38SS..EExtended strand (participates in β ladder)trans-81.8138.1163-66.3-172.3161.700109.2N111 K147E109-N111 VanDerWaalsContact CB-ND2 3.33Å; E109-N111 WeakPolarHBondContact CB-ND2 3.44Å; E109-N111 PolarHBondContact O-N 3Å; E109-N111 PolarHBondContact OE2-ND2 2.78Å; E109-K147 VanDerWaalsContact CD-NZ 3.34Å; E109-K147 IonicContact OE1-NZ 3.05Å; E109-K147 PolarHBondContact OE1-NZ 2.97Å; E109-K147 IonicContact OE2-NZ 2.77Å; E109-K147 PolarHBondContact OE2-NZ 2.95Å; E109-K147 VanDerWaalsContact OE2-NZ 3.1Å
110L80.3Confident77.9Confident0 Ų069.6 Ų69.60%037%0.373CS..EExtended strand (participates in β ladder)trans-87.784.6177.2-72.4155.2000108.9V47 A49 G95 I96 V98 D115 V117V47-L110 HydrophobicContact CB-CD1 4.12Å; V47-L110 HydrophobicContact CG1-CD1 3.43Å; V47-L110 VanDerWaalsContact CG1-CD1 3.43Å; A49-L110 HydrophobicContact CB-CB 4.08Å; A49-L110 HydrophobicContact CB-CD2 4.02Å; G95-L110 WeakPolarHBondContact CA-O 3.43Å; G95-L110 PolarHBondContact N-O 3.35Å; I96-L110 HydrophobicContact CB-CB 4.46Å; I96-L110 HydrophobicContact CB-CD1 4.17Å; I96-L110 HydrophobicContact CG2-CD1 4.09Å; I96-L110 PolarHBondContact N-O 3.17Å; I96-L110 PolarHBondContact O-N 3.08Å; V98-L110 HydrophobicContact CG2-CD1 3.78Å; L110-D115 HydrophobicContact CD2-CB 3.93Å; L110-D115 WeakPolarHBondContact CD2-O 3.46Å; L110-V117 HydrophobicContact CD1-CG2 4.45Å; L110-V117 HydrophobicContact CD2-CB 4.41Å; L110-V117 HydrophobicContact CD2-CG2 3.84Å; L110-V117 HydrophobicContact CG-CG2 3.86Å
111N74.8Confident78.5Confident66 Ų6674.7 Ų74.735%0.35339%0.394SS..  trans-103.1-23.7-167.7-77.1-31.9000114I94 E109 D115 A180I94-N111 VanDerWaalsContact CG2-C 3.47Å; I94-N111 WeakPolarHBondContact CG2-O 3.43Å; E109-N111 VanDerWaalsContact CB-ND2 3.33Å; E109-N111 WeakPolarHBondContact CB-ND2 3.44Å; E109-N111 PolarHBondContact O-N 3Å; E109-N111 PolarHBondContact OE2-ND2 2.78Å; N111-D115 PolarHBondContact N-OD2 3.01Å; N111-A180 WeakPolarHBondContact O-CB 3.49Å
112A76.8Confident79.4Confident41 Ų4173.1 Ų73.134%0.33939%0.388SS..SBendtrans-119.5161.6176.500000111.8A49 G114 D115A49-A112 WeakPolarHBondContact CB-O 3.43Å; A112-G114 PolarHBondContact O-N 2.72Å; A112-D115 PolarHBondContact N-OD2 3.33Å; A112-D115 WeakPolarHBondContact O-CB 3.25Å; A112-D115 PolarHBondContact O-N 2.64Å
113E80.4Confident80.6Confident111 Ų11166.8 Ų66.852%0.51936%0.356SS..THydrogen-bonded Turntrans-66.5132.3174.4-176.9157.6-130.100110.4N51 I94 D115N51-E113 WeakPolarHBondContact CB-OE1 3.38Å; N51-E113 PolarHBondContact N-OE1 3.01Å; N51-E113 VanDerWaalsContact N-OE1 3.12Å; N51-E113 PolarHBondContact ND2-OE1 2.64Å; N51-E113 PolarHBondContact ND2-OE2 3.2Å; I94-E113 HydrophobicContact CD1-CB 3.9Å; E113-D115 VanDerWaalsContact C-N 3.3Å
114G84.2Confident82Confident49 Ų4966.3 Ų66.351%0.50534%0.343SS..THydrogen-bonded Turntrans86.1-6.3-17600000114.7A49 A112 R116A49-G114 PolarHBondContact O-N 3.23Å; A112-G114 PolarHBondContact O-N 2.72Å; G114-R116 PolarHBondContact O-N 3.46Å
115D87.5Confident82.9Confident58 Ų5857.3 Ų57.331%0.3131%0.309SS..  trans-56.6137.6168.9-77.4-8.2000109.5V48 A49 L110 N111 A112 E113V48-D115 CarbonylContact C-O 3.55Å; V48-D115 WeakPolarHBondContact CA-O 3.48Å; A49-D115 HydrophobicContact CB-CB 4.14Å; A49-D115 PolarHBondContact N-O 3.21Å; L110-D115 HydrophobicContact CD2-CB 3.93Å; L110-D115 WeakPolarHBondContact CD2-O 3.46Å; N111-D115 PolarHBondContact N-OD2 3.01Å; A112-D115 PolarHBondContact N-OD2 3.33Å; A112-D115 WeakPolarHBondContact O-CB 3.25Å; A112-D115 PolarHBondContact O-N 2.64Å; E113-D115 VanDerWaalsContact C-N 3.3Å
116R90.9Very high83.8Confident171 Ų17151.8 Ų51.865%0.64528%0.281SS*.EExtended strand (participates in β ladder)trans-132.3135.6-178.865.3-178.7-179.5-171.5-3.1111.6W46 V47 V48 G114W46-R116 HydrophobicContact CE3-CB 4.25Å; W46-R116 HydrophobicContact CE3-CG 4.19Å; W46-R116 HydrophobicContact CZ3-CG 4.32Å; V47-R116 CarbonylContact O-C 3.54Å; V47-R116 VanDerWaalsContact O-CA 3.26Å; V47-R116 WeakPolarHBondContact O-CA 3.35Å; V48-R116 HydrophobicContact CG2-CB 4.13Å; G114-R116 PolarHBondContact O-N 3.46Å
117V91.4Very high85Confident7 Ų752.8 Ų52.84%0.04229%0.288CS..EExtended strand (participates in β ladder)trans-120.1128.3179169.90000109.5W46 V47 E107 L110 V119W46-V117 CarbonylContact C-O 3.54Å; W46-V117 WeakPolarHBondContact CA-O 3.46Å; V47-V117 PolarHBondContact N-O 3.08Å; V47-V117 PolarHBondContact O-N 3.41Å; E107-V117 WeakPolarHBondContact O-CG1 3.36Å; E107-V117 WeakPolarHBondContact O-CG2 3.27Å; L110-V117 HydrophobicContact CD1-CG2 4.45Å; L110-V117 HydrophobicContact CD2-CB 4.41Å; L110-V117 HydrophobicContact CD2-CG2 3.84Å; L110-V117 HydrophobicContact CG-CG2 3.86Å; V117-V119 HydrophobicContact CG1-CG1 4.19Å; V117-V119 PolarHBondContact O-N 3.49Å
118L91.6Very high86.2Confident68 Ų6847.2 Ų47.236%0.35627%0.268SS..EExtended strand (participates in β ladder)trans-77.4111.6176.5-178.563000109.5N44 W46N44-L118 HydrophobicContact CB-CD1 3.71Å; W46-L118 HydrophobicContact CD2-CB 4.47Å; W46-L118 HydrophobicContact CD2-CD1 4.02Å; W46-L118 HydrophobicContact CE3-CB 3.82Å; W46-L118 HydrophobicContact CE3-CD1 4.22Å; W46-L118 HydrophobicContact CH2-CB 3.85Å; W46-L118 HydrophobicContact CH2-CD1 4.03Å; W46-L118 HydrophobicContact CH2-CD2 4.47Å; W46-L118 HydrophobicContact CH2-CG 4.33Å; W46-L118 HydrophobicContact CZ2-CD1 3.83Å; W46-L118 HydrophobicContact CZ3-CB 3.49Å; W46-L118 VanDerWaalsContact CZ3-CB 3.49Å; W46-L118 HydrophobicContact CZ3-CD1 4.24Å; W46-L118 HydrophobicContact CZ3-CG 4.38Å
119V91.4Very high87.2Confident3 Ų351.3 Ų51.32%0.01829%0.289CS..EExtended strand (participates in β ladder)trans-99.2-31.4-177.1-67.30000113.5V23 V45 V47 V98 V117 I142V23-V119 HydrophobicContact CB-CG2 4.36Å; V23-V119 HydrophobicContact CG1-CG2 4.15Å; V23-V119 HydrophobicContact CG2-CB 4.42Å; V23-V119 HydrophobicContact CG2-CG2 4.29Å; V45-V119 HydrophobicContact CB-CG2 3.98Å; V45-V119 HydrophobicContact CG1-CG2 3.75Å; V45-V119 WeakPolarHBondContact O-CG2 3.49Å; V45-V119 PolarHBondContact O-N 2.97Å; V47-V119 HydrophobicContact CB-CG1 4.33Å; V47-V119 HydrophobicContact CG2-CB 4.41Å; V47-V119 HydrophobicContact CG2-CG1 3.49Å; V47-V119 VanDerWaalsContact CG2-CG1 3.49Å; V47-V119 HydrophobicContact CG2-CG2 4.05Å; V98-V119 HydrophobicContact CG1-CG1 3.8Å; V117-V119 HydrophobicContact CG1-CG1 4.19Å; V117-V119 PolarHBondContact O-N 3.49Å; V119-I142 HydrophobicContact CB-CD1 3.98Å; V119-I142 HydrophobicContact CB-CG2 4.29Å; V119-I142 HydrophobicContact CG1-CD1 3.85Å; V119-I142 HydrophobicContact CG2-CD1 4.11Å
120A92.4Very high87.8Confident0 Ų048.7 Ų48.70%028%0.279CS..EExtended strand (participates in β ladder)trans-145.4123.8173.600000111.2V23 V45V23-A120 HydrophobicContact CB-CB 4.32Å; V23-A120 HydrophobicContact CG2-CB 4.04Å; V45-A120 HydrophobicContact CB-CB 4.15Å; V45-A120 HydrophobicContact CG2-CB 4.28Å; V45-A120 PolarHBondContact N-O 2.93Å; V45-A120 PolarHBondContact O-N 2.94Å
121K94.3Very high88.1Confident120 Ų12053.2 Ų53.252%0.52231%0.311SS..PPolyproline II helixtrans-79136.4176.2-164.4174.7179.3173.60111.1Q138K121-Q138 HydrophobicContact CB-CG 4.27Å; K121-Q138 PolarHBondContact O-N 3.33Å
122G95.5Very high88.7Confident12 Ų1252.1 Ų52.112%0.12430%0.303CS..PPolyproline II helixtrans-64.9151.5169.900000112G43 N44G43-G122 WeakPolarHBondContact O-CA 3.08Å; N44-G122 PolarHBondContact OD1-N 3.43Å
123G95.1Very high89.3Confident4 Ų456.5 Ų56.54%0.04132%0.316CS..PPolyproline II helixtrans-72145177.200000111.3G26 G42 K135 G137G26-G123 PolarHBondContact O-N 2.91Å; G42-G123 PolarHBondContact N-O 3.28Å; G123-K135 WeakPolarHBondContact CA-O 3.06Å; G123-G137 VanDerWaalsContact N-CA 3.35Å
124S93.6Very high89.9Confident48 Ų4853 Ų5334%0.33630%0.303SS..PPolyproline II helixtrans-68.4139.8173.657.30000110.6N41 K135N41-S124 WeakPolarHBondContact OD1-CA 3.28Å; S124-K135 PolarHBondContact O-N 3.39Å; S124-K135 WeakPolarHBondContact OG-CD 3.41Å
125G91.6Very high90.4Very high1 Ų157 Ų571%0.0131%0.307CS..PPolyproline II helixtrans-66.3162.6169.600000111.9G39 G40 N41G39-G125 WeakPolarHBondContact O-CA 3.4Å; G40-G125 VanDerWaalsContact O-CA 3.3Å; G40-G125 WeakPolarHBondContact O-CA 3.29Å; N41-G125 PolarHBondContact OD1-N 3.47Å
126G91.1Very high90.7Very high0 Ų062.4 Ų62.40%033%0.327CS..PPolyproline II helixtrans-63.1135.8176.400000111.5G29 A31 H38 G39 E133G29-G126 PolarHBondContact O-N 3.35Å; A31-G126 VanDerWaalsContact CB-O 3.29Å; A31-G126 WeakPolarHBondContact CB-O 3.49Å; H38-G126 WeakPolarHBondContact CA-O 3.47Å; G39-G126 PolarHBondContact N-O 3.28Å; G126-E133 WeakPolarHBondContact CA-O 3.39Å
127T89.8Confident90.8Very high47 Ų4754.5 Ų54.529%0.28830%0.3SS..  trans-138163.8175.758.70000109.3C129 S130 S131 F132T127-C129 PolarHBondContact O-N 3.4Å; T127-S130 PolarHBondContact N-OG 3.04Å; T127-S130 CarbonylContact O-C 3.58Å; T127-S130 WeakPolarHBondContact O-CA 3.41Å; T127-S130 PolarHBondContact O-N 3Å; T127-S130 PolarHBondContact O-OG 2.79Å; T127-S130 PolarHBondContact OG1-N 3.11Å; T127-S130 PolarHBondContact OG1-OG 3.33Å; T127-S131 PolarHBondContact O-N 3.19Å; T127-F132 WeakPolarHBondContact O-CA 3.43Å; T127-F132 PolarHBondContact O-N 2.95Å
128P85.9Confident90.8Very high64 Ų6458.6 Ų58.642%0.41632%0.318SS..G310 helixtrans-52.6-38.1174.1-26.133.2000112.6H38 S130 S131 F132H38-P128 WeakPolarHBondContact CE1-CD 3.47Å; P128-S130 VanDerWaalsContact C-N 3.26Å; P128-S130 PolarHBondContact O-N 3.15Å; P128-S131 PolarHBondContact O-N 3.32Å; P128-F132 HydrophobicContact CB-CE1 4.29Å; P128-F132 HydrophobicContact CB-CE2 4.37Å; P128-F132 HydrophobicContact CB-CZ 3.88Å; P128-F132 HydrophobicContact CG-CE1 3.78Å; P128-F132 HydrophobicContact CG-CZ 3.79Å
129C84.1Confident90.9Very high127 Ų12758.8 Ų58.886%0.85832%0.322SS*.G310 helixtrans-69.9-18.2177.4-53.60000114.1T127T127-C129 PolarHBondContact O-N 3.4Å
130S81.2Confident90.9Very high26 Ų2662.2 Ų62.218%0.18234%0.337CS..G310 helixtrans-107.824.5176.774.50000112.4T127 P128 F132 E133T127-S130 PolarHBondContact N-OG 3.04Å; T127-S130 CarbonylContact O-C 3.58Å; T127-S130 WeakPolarHBondContact O-CA 3.41Å; T127-S130 PolarHBondContact O-N 3Å; T127-S130 PolarHBondContact O-OG 2.79Å; T127-S130 PolarHBondContact OG1-N 3.11Å; T127-S130 PolarHBondContact OG1-OG 3.33Å; P128-S130 VanDerWaalsContact C-N 3.26Å; P128-S130 PolarHBondContact O-N 3.15Å; S130-F132 PolarHBondContact O-N 3.06Å; S130-F132 VanDerWaalsContact O-N 3.13Å; S130-E133 PolarHBondContact O-N 3.02Å; S130-E133 PolarHBondContact OG-O 3.33Å
131S87.1Confident90.7Very high94 Ų9465.7 Ų65.766%0.65735%0.353SS*.THydrogen-bonded Turntrans54.530.1-175.2-54.80000113.2T127 P128 E133T127-S131 PolarHBondContact O-N 3.19Å; P128-S131 PolarHBondContact O-N 3.32Å; S131-E133 PolarHBondContact O-N 2.88Å; S131-E133 VanDerWaalsContact O-N 3.14Å
132F87.1Confident90.5Very high43 Ų4360 Ų6019%0.18933%0.328CS..THydrogen-bonded Turntrans62.59.8-175.9-58.6-86.8000115.2A31 P33 T127 P128 S130A31-F132 HydrophobicContact CB-CB 3.87Å; A31-F132 HydrophobicContact CB-CD1 3.83Å; A31-F132 HydrophobicContact CB-CG 4.36Å; A31-F132 WeakPolarHBondContact CB-O 3.38Å; A31-F132 PolarHBondContact N-O 2.82Å; P33-F132 HydrophobicContact CB-CB 4.33Å; P33-F132 HydrophobicContact CB-CD1 4.27Å; P33-F132 HydrophobicContact CB-CD2 3.74Å; P33-F132 HydrophobicContact CB-CE2 4.06Å; P33-F132 HydrophobicContact CB-CG 3.85Å; P33-F132 HydrophobicContact CB-CZ 4.45Å; P33-F132 HydrophobicContact CG-CB 3.69Å; P33-F132 HydrophobicContact CG-CD1 4.37Å; P33-F132 HydrophobicContact CG-CD2 4.03Å; P33-F132 HydrophobicContact CG-CG 3.78Å; T127-F132 WeakPolarHBondContact O-CA 3.43Å; T127-F132 PolarHBondContact O-N 2.95Å; P128-F132 HydrophobicContact CB-CE1 4.29Å; P128-F132 HydrophobicContact CB-CE2 4.37Å; P128-F132 HydrophobicContact CB-CZ 3.88Å; P128-F132 HydrophobicContact CG-CE1 3.78Å; P128-F132 HydrophobicContact CG-CZ 3.79Å; S130-F132 PolarHBondContact O-N 3.06Å; S130-F132 VanDerWaalsContact O-N 3.13Å
133E90Very high90Very high133 Ų13363.9 Ų63.962%0.62134%0.339SS*.PPolyproline II helixtrans-91.9134.9178.6-65.3-171.5162.700111.8G126 S130 S131G126-E133 WeakPolarHBondContact CA-O 3.39Å; S130-E133 PolarHBondContact O-N 3.02Å; S130-E133 PolarHBondContact OG-O 3.33Å; S131-E133 PolarHBondContact O-N 2.88Å; S131-E133 VanDerWaalsContact O-N 3.14Å
134P92.6Very high89.6Confident38 Ų3863.7 Ų63.725%0.24734%0.337CS..PPolyproline II helixtrans-75.6149.7173.827.6-30.4000112.1G28 G29 M30G28-P134 VanDerWaalsContact C-CB 3.47Å; G28-P134 WeakPolarHBondContact O-CB 2.98Å; G29-P134 WeakPolarHBondContact O-CB 3.28Å; M30-P134 HydrophobicContact CE-CG 4.14Å; M30-P134 VanDerWaalsContact SD-CD 3.57Å; M30-P134 HydrophobicContact SD-CG 4.29Å
135K94.1Very high88.8Confident132 Ų13263.9 Ų63.957%0.57433%0.334SS*.PPolyproline II helixtrans-92.7147.8169.1-65.6-172.8-179.1177.60110.8G28 G123 S124G28-K135 PolarHBondContact N-O 3.49Å; G123-K135 WeakPolarHBondContact CA-O 3.06Å; S124-K135 PolarHBondContact O-N 3.39Å; S124-K135 WeakPolarHBondContact OG-CD 3.41Å
136K93.9Very high87.9Confident172 Ų17264.8 Ų64.875%0.74834%0.339SS*.PPolyproline II helixtrans-72.1145.5169.9-65.3-179.7-177.7174.10109.9T27T27-K136 HydrophobicContact CG2-CG 4.42Å
137G92.3Very high86.8Confident6 Ų668.6 Ų68.66%0.06236%0.355CS..PPolyproline II helixtrans-67.9156.7172.400000112.1G26 G123G26-G137 WeakPolarHBondContact O-CA 3.31Å; G26-G137 PolarHBondContact O-N 3.43Å; G123-G137 VanDerWaalsContact N-CA 3.35Å
138Q93.1Very high85.4Confident92 Ų9268.2 Ų68.243%0.4335%0.351SS..PPolyproline II helixtrans-64.3138.9178.7-67.3-179-7.500110.3R24 G25 K121R24-Q138 CarbonylContact C-O 3.52Å; R24-Q138 WeakPolarHBondContact CA-O 3.34Å; G25-Q138 PolarHBondContact N-O 3.04Å; K121-Q138 HydrophobicContact CB-CG 4.27Å; K121-Q138 PolarHBondContact O-N 3.33Å
139V93.3Very high84.4Confident73 Ų7365.3 Ų65.344%0.44233%0.332SS..EExtended strand (participates in β ladder)trans-114.9124.7175.2178.20000107.8Y22 R24Y22-V139 HydrophobicContact CE2-CG1 3.49Å; Y22-V139 VanDerWaalsContact CE2-CG1 3.49Å; Y22-V139 VanDerWaalsContact OH-CG1 3.28Å; Y22-V139 WeakPolarHBondContact OH-CG1 3.21Å; R24-V139 HydrophobicContact CB-CG2 4.19Å; R24-V139 HydrophobicContact CG-CG2 3.8Å
140K89.9Confident83.9Confident75 Ų7559.3 Ų59.333%0.32629%0.292SS..EExtended strand (participates in β ladder)trans-144153.4177.6-70.7-176.4179.71760110.6V23V23-K140 HydrophobicContact CG2-CB 4.12Å; V23-K140 VanDerWaalsContact CG2-O 3.23Å; V23-K140 WeakPolarHBondContact CG2-O 3.45Å; V23-K140 PolarHBondContact N-O 3.22Å; V23-K140 PolarHBondContact O-N 2.89Å
141H89.8Confident84Confident73 Ų7359.3 Ų59.334%0.33829%0.289SS..EExtended strand (participates in β ladder)trans-98.2134.5160.1-75-80.1000108.2L21 Y22 D101L21-H141 WeakPolarHBondContact O-CA 3.4Å; Y22-H141 AromaticContact CD2-CE1 3.49Å; Y22-H141 VanDerWaalsContact CD2-CE1 3.49Å; Y22-H141 WeakPolarHBondContact CD2-CE1 3.32Å; Y22-H141 AromaticContact CD2-ND1 3.98Å; Y22-H141 AromaticContact CD2-NE2 3.7Å; D101-H141 HydrophobicContact CB-CB 4.47Å; D101-H141 PolarHBondContact N-O 3.39Å; D101-H141 WeakPolarHBondContact OD2-CB 3.33Å; D101-H141 IonicContact OD2-CD2 2.79Å; D101-H141 IonicContact OD2-CG 2.65Å
142I89.8Confident84Confident0 Ų054.8 Ų54.80%026%0.258CS..EExtended strand (participates in β ladder)trans-122.2153.4177.364.3174.3000109.2R20 L21 V23 V47 V98 T99 L106 V119 L144R20-I142 CarbonylContact C-O 3.55Å; R20-I142 VanDerWaalsContact CA-O 3.31Å; R20-I142 WeakPolarHBondContact CA-O 3.24Å; L21-I142 HydrophobicContact CB-CD1 4.46Å; L21-I142 HydrophobicContact CB-CG1 3.92Å; L21-I142 PolarHBondContact N-O 3.08Å; L21-I142 PolarHBondContact O-N 3.24Å; V23-I142 HydrophobicContact CG1-CD1 3.67Å; V23-I142 HydrophobicContact CG1-CG1 4.01Å; V23-I142 HydrophobicContact CG2-CD1 4.36Å; V23-I142 HydrophobicContact CG2-CG1 4.34Å; V23-I142 HydrophobicContact CG2-CG2 3.88Å; V47-I142 HydrophobicContact CG2-CD1 4.09Å; V98-I142 HydrophobicContact CG1-CB 4.15Å; V98-I142 HydrophobicContact CG1-CD1 4.2Å; V98-I142 HydrophobicContact CG1-CG2 4.45Å; T99-I142 CarbonylContact O-C 3.46Å; T99-I142 VanDerWaalsContact O-CA 3.28Å; T99-I142 WeakPolarHBondContact O-CA 3.35Å; L106-I142 HydrophobicContact CD1-CB 4.49Å; L106-I142 HydrophobicContact CD1-CG2 3.52Å; V119-I142 HydrophobicContact CB-CD1 3.98Å; V119-I142 HydrophobicContact CB-CG2 4.29Å; V119-I142 HydrophobicContact CG1-CD1 3.85Å; V119-I142 HydrophobicContact CG2-CD1 4.11Å; I142-L144 HydrophobicContact CD1-CD2 4.18Å
143R85.6Confident84Confident93 Ų9352.8 Ų52.835%0.35125%0.249SC..EExtended strand (participates in β ladder)trans-116.8129.9168.7-65.4175.8-161.8168.66.4107.9L19 R20 V98 T99 D101L19-R143 WeakPolarHBondContact O-CA 3.27Å; R20-R143 HydrophobicContact CB-CG 4.04Å; R20-R143 HydrophobicContact CG-CG 4Å; V98-R143 WeakPolarHBondContact CA-O 3.34Å; T99-R143 PolarHBondContact N-O 2.9Å; T99-R143 PolarHBondContact O-N 2.86Å; T99-R143 WeakPolarHBondContact OG1-CB 3.33Å; T99-R143 PolarHBondContact OG1-O 2.84Å; D101-R143 IonicContact OD1-CZ 3.14Å; D101-R143 IonicContact OD1-NE 2.74Å; D101-R143 PolarHBondContact OD1-NE 2.94Å; D101-R143 IonicContact OD1-NH2 3.65Å; D101-R143 PolarHBondContact OD1-NH2 3.23Å
144L85.2Confident83.8Confident0 Ų046.4 Ų46.40%022%0.22CC..EExtended strand (participates in β ladder)trans-94.7112.7169.4-54.3-177.1000106.5N18 L19 L21 V47 L55 I58 A92 I96 V98 I142N18-L144 WeakPolarHBondContact CA-O 3.38Å; L19-L144 PolarHBondContact N-O 3.01Å; L19-L144 PolarHBondContact O-N 2.78Å; L21-L144 HydrophobicContact CD1-CD1 3.59Å; L21-L144 HydrophobicContact CD1-CG 4.06Å; V47-L144 HydrophobicContact CG1-CD2 4.26Å; V47-L144 HydrophobicContact CG2-CD2 4.21Å; L55-L144 HydrophobicContact CD2-CB 3.83Å; L55-L144 HydrophobicContact CD2-CD1 3.92Å; I58-L144 HydrophobicContact CD1-CD1 4.35Å; A92-L144 HydrophobicContact CB-CD1 4.38Å; I96-L144 HydrophobicContact CD1-CB 4.45Å; I96-L144 HydrophobicContact CG2-CB 4Å; I96-L144 HydrophobicContact CG2-CD2 4.09Å; V98-L144 HydrophobicContact CB-CD2 4.38Å; V98-L144 HydrophobicContact CG1-CD2 4.06Å; V98-L144 HydrophobicContact CG2-CD2 3.75Å; I142-L144 HydrophobicContact CD1-CD2 4.18Å
145D78.4Confident83.4Confident52 Ų5244.6 Ų44.628%0.27821%0.208SC..EExtended strand (participates in β ladder)trans-105.6114.3175.8-71.9-55.4000108.2N18 I96 T97 T99 K147N18-D145 PolarHBondContact ND2-OD1 2.98Å; I96-D145 WeakPolarHBondContact CA-O 3.49Å; T97-D145 PolarHBondContact N-O 2.92Å; T97-D145 PolarHBondContact O-N 3.24Å; T99-D145 PolarHBondContact OG1-OD2 2.98Å; D145-K147 PolarHBondContact O-N 3.13Å
146L72.6Confident82.8Confident20 Ų2038.3 Ų38.311%0.10518%0.181CC..EExtended strand (participates in β ladder)trans-70123.8172.2-15694.7000108.4F15 D17 L55 P93 I96 L148 R227F15-L146 HydrophobicContact CZ-CD2 4.23Å; D17-L146 PolarHBondContact O-N 2.75Å; L55-L146 HydrophobicContact CD1-CB 4Å; L55-L146 HydrophobicContact CD1-CD1 4.37Å; L55-L146 HydrophobicContact CG-CD1 4.39Å; P93-L146 HydrophobicContact CB-CD1 3.91Å; P93-L146 HydrophobicContact CG-CD1 3.41Å; P93-L146 VanDerWaalsContact CG-CD1 3.41Å; I96-L146 HydrophobicContact CD1-CD1 4.17Å; I96-L146 HydrophobicContact CG1-CD1 3.78Å; L146-L148 PolarHBondContact O-N 2.71Å; L146-R227 HydrophobicContact CD2-CG 3.99Å
147K66.7Low82.1Confident80 Ų8031 Ų3135%0.34815%0.149SC..  trans-66.6104.3173.7-159.1166.4-173.8165.80107.6G95 E109 D145G95-K147 WeakPolarHBondContact O-CB 3.27Å; G95-K147 PolarHBondContact O-N 2.83Å; E109-K147 VanDerWaalsContact CD-NZ 3.34Å; E109-K147 IonicContact OE1-NZ 3.05Å; E109-K147 PolarHBondContact OE1-NZ 2.97Å; E109-K147 IonicContact OE2-NZ 2.77Å; E109-K147 PolarHBondContact OE2-NZ 2.95Å; E109-K147 VanDerWaalsContact OE2-NZ 3.1Å; D145-K147 PolarHBondContact O-N 3.13Å
148L61Low81.2Confident39 Ų3933 Ų3320%0.20416%0.16CC..  trans-59.6146.4166.6-62.6174.5000108L146 R227 K229L146-L148 PolarHBondContact O-N 2.71Å; L148-R227 HydrophobicContact CD2-CB 4.46Å; L148-R227 VanDerWaalsContact CD2-O 3.32Å; L148-R227 WeakPolarHBondContact CD2-O 3.39Å; L148-K229 HydrophobicContact CD1-CD 4.25Å; L148-K229 VanDerWaalsContact CD1-CE 3.41Å; L148-K229 HydrophobicContact CD1-CG 3.95Å
149I65.2Low80.5Confident4 Ų435.1 Ų35.12%0.02118%0.175CC..SBendtrans-76.2-44.9178.4-65160.6000108.5Y179 F181 P186 I188 A202 H224 R227I149-Y179 HydrophobicContact CB-CE2 4.49Å; I149-Y179 HydrophobicContact CG1-CE2 4.41Å; I149-Y179 HydrophobicContact CG2-CE2 3.83Å; I149-Y179 PolarHBondContact O-OH 3.49Å; I149-F181 HydrophobicContact CD1-CE2 4.13Å; I149-F181 HydrophobicContact CD1-CZ 4.41Å; I149-F181 HydrophobicContact CG1-CZ 4.32Å; I149-P186 HydrophobicContact CG2-CG 4.25Å; I149-I188 HydrophobicContact CG2-CD1 4.21Å; I149-I188 WeakPolarHBondContact O-CD1 3.41Å; I149-A202 HydrophobicContact CG2-CB 4.14Å; I149-H224 HydrophobicContact CD1-CB 3.2Å; I149-H224 WeakPolarHBondContact CD1-CD2 3.44Å; I149-H224 VanDerWaalsContact CD1-CG 3.47Å; I149-R227 HydrophobicContact CD1-CB 3.99Å; I149-R227 HydrophobicContact CG1-CB 4.3Å; I149-R227 PolarHBondContact N-O 2.91Å
150A74.1Confident79.9Confident0 Ų031.9 Ų31.90%016%0.155CC..EExtended strand (participates in β ladder)trans-155.6160.8174.200000110.2L152 S200 A202 T228A150-L152 VanDerWaalsContact CB-O 3.27Å; A150-L152 WeakPolarHBondContact CB-O 3.22Å; A150-S200 VanDerWaalsContact CA-OG 3.26Å; A150-S200 WeakPolarHBondContact CA-OG 3.35Å; A150-A202 HydrophobicContact CB-CB 3.48Å; A150-A202 VanDerWaalsContact CB-CB 3.48Å; A150-T228 WeakPolarHBondContact O-CA 3.44Å
151D82.5Confident79.7Confident26 Ų2629 Ų2914%0.13915%0.147CC..EExtended strand (participates in β ladder)trans-68.9-39.8170.9-60.2-70.7000110.5I199 S200 K229 Q230 L345D151-I199 HydrophobicContact CB-CG2 3.79Å; D151-S200 WeakPolarHBondContact CB-O 3.43Å; D151-S200 PolarHBondContact N-O 3.43Å; D151-S200 PolarHBondContact N-OG 2.94Å; D151-S200 PolarHBondContact OD2-N 2.98Å; D151-S200 PolarHBondContact OD2-OG 2.81Å; D151-K229 HydrophobicContact CB-CD 4.47Å; D151-K229 WeakPolarHBondContact O-CA 3.33Å; D151-K229 WeakPolarHBondContact O-CB 3.32Å; D151-K229 PolarHBondContact O-N 3.03Å; D151-K229 WeakPolarHBondContact OD1-CE 3.37Å; D151-K229 IonicContact OD1-NZ 3.77Å; D151-K229 PolarHBondContact OD1-NZ 3.03Å; D151-Q230 PolarHBondContact O-N 2.86Å; D151-L345 HydrophobicContact CB-CD1 4.24Å
152L86.2Confident79.5Confident0 Ų026.2 Ų26.20%013%0.134CC..EExtended strand (participates in β ladder)trans-117.3142175.2-63.1100.1000112.4A150 I199 S200 I201 A202 Q230 I341 L345A150-L152 VanDerWaalsContact CB-O 3.27Å; A150-L152 WeakPolarHBondContact CB-O 3.22Å; L152-I199 HydrophobicContact CD1-CG2 3.31Å; L152-S200 PolarHBondContact N-O 3.07Å; L152-I201 HydrophobicContact CB-CG1 4.24Å; L152-I201 HydrophobicContact CB-CG2 4.3Å; L152-I201 HydrophobicContact CD1-CG1 4.09Å; L152-I201 WeakPolarHBondContact O-CA 2.86Å; L152-A202 PolarHBondContact O-N 3.06Å; L152-Q230 WeakPolarHBondContact CA-O 3.26Å; L152-Q230 HydrophobicContact CD2-CB 4.47Å; L152-Q230 HydrophobicContact CD2-CG 4.04Å; L152-Q230 HydrophobicContact CG-CB 4.35Å; L152-Q230 HydrophobicContact CG-CG 4.46Å; L152-I341 HydrophobicContact CD1-CG2 3.55Å; L152-I341 HydrophobicContact CD2-CB 4.4Å; L152-I341 HydrophobicContact CD2-CD1 4.21Å; L152-I341 HydrophobicContact CD2-CG1 3.93Å; L152-I341 HydrophobicContact CD2-CG2 3.72Å; L152-I341 HydrophobicContact CG-CG2 4.28Å; L152-L345 HydrophobicContact CD1-CD1 3.72Å; L152-L345 HydrophobicContact CG-CD1 4.49Å
153G87.1Confident79.3Confident0 Ų028.8 Ų28.80%015%0.152CC..EExtended strand (participates in β ladder)trans-112.2128.3168.700000111.5A202 Q230 L232G153-A202 WeakPolarHBondContact CA-O 3.39Å; G153-Q230 PolarHBondContact N-O 3Å; G153-L232 PolarHBondContact O-N 3.07Å
154L86.6Confident79.4Confident0 Ų027.7 Ų27.70%016%0.158CC..EExtended strand (participates in β ladder)trans-76.6131.6172.7-55.8-177000110.3K162 L166 I201 A202 D203 L232 V234L154-K162 HydrophobicContact CB-CD 4.34Å; L154-K162 HydrophobicContact CD1-CB 4.19Å; L154-K162 WeakPolarHBondContact CD1-O 3.47Å; L154-L166 HydrophobicContact CD1-CB 3.98Å; L154-L166 HydrophobicContact CD1-CD1 4.31Å; L154-I201 HydrophobicContact CD1-CG2 4.33Å; L154-I201 HydrophobicContact CD2-CG2 3.74Å; L154-I201 HydrophobicContact CG-CG2 3.84Å; L154-A202 PolarHBondContact N-O 3.43Å; L154-D203 HydrophobicContact CD1-CB 4.15Å; L154-L232 WeakPolarHBondContact CA-O 3.07Å; L154-L232 HydrophobicContact CD2-CB 3.83Å; L154-L232 HydrophobicContact CD2-CD2 3.54Å; L154-L232 HydrophobicContact CD2-CG 4.11Å; L154-V234 HydrophobicContact CD2-CG2 4.31Å
155V84.4Confident79.6Confident0 Ų027.7 Ų27.70%016%0.158CC..EExtended strand (participates in β ladder)trans-128.2130.5178-172.40000108.2L207 L231 L232 F233 V234 L258V155-L207 HydrophobicContact CB-CD1 4.21Å; V155-L207 HydrophobicContact CG1-CB 4.4Å; V155-L207 HydrophobicContact CG1-CD1 3.98Å; V155-L207 HydrophobicContact CG1-CD2 3.96Å; V155-L207 HydrophobicContact CG1-CG 4.33Å; V155-L207 HydrophobicContact CG2-CD1 3.69Å; V155-L231 HydrophobicContact CG2-CB 4.24Å; V155-L231 HydrophobicContact CG2-CD1 4.49Å; V155-L231 HydrophobicContact CG2-CD2 4.08Å; V155-L231 HydrophobicContact CG2-CG 4.49Å; V155-L232 PolarHBondContact N-O 3.48Å; V155-F233 HydrophobicContact CG1-CD1 4.48Å; V155-F233 HydrophobicContact CG1-CE1 4.33Å; V155-F233 CarbonylContact O-C 3.57Å; V155-F233 VanDerWaalsContact O-CA 3.29Å; V155-F233 WeakPolarHBondContact O-CA 3.33Å; V155-V234 PolarHBondContact O-N 3.37Å; V155-L258 HydrophobicContact CG1-CD2 4.42Å
156G81.3Confident80.1Confident0 Ų025.2 Ų25.20%015%0.145CC..  trans163.5157.6-176.100000111.9K162 I208 V234G156-K162 WeakPolarHBondContact O-CD 3.04Å; G156-K162 VanDerWaalsContact O-CE 3.27Å; G156-K162 WeakPolarHBondContact O-CE 3.38Å; G156-K162 PolarHBondContact O-NZ 3.3Å; G156-I208 VanDerWaalsContact O-CD1 3.22Å; G156-I208 WeakPolarHBondContact O-CD1 3.23Å; G156-I208 WeakPolarHBondContact O-CG2 3.29Å; G156-V234 WeakPolarHBondContact CA-O 2.93Å
157F78.9Confident80.8Confident19 Ų1928.2 Ų28.28%0.08317%0.165CC..  trans-62.2158.9-179-77.3-72000113.5A160 I208 F240 L242 A254 L257 L258F157-A160 VanDerWaalsContact O-CB 3.25Å; F157-A160 WeakPolarHBondContact O-CB 3.22Å; F157-A160 PolarHBondContact O-N 3.24Å; F157-I208 HydrophobicContact CB-CG2 4.49Å; F157-I208 HydrophobicContact CD1-CB 4.28Å; F157-I208 HydrophobicContact CD1-CG2 3.62Å; F157-I208 HydrophobicContact CE1-CG2 3.94Å; F157-I208 HydrophobicContact CG-CG2 4.08Å; F157-F240 HydrophobicContact CB-CD2 4.12Å; F157-F240 HydrophobicContact CB-CG 4.39Å; F157-F240 AromaticContact CD1-CD2 3.92Å; F157-F240 HydrophobicContact CD1-CD2 3.92Å; F157-F240 AromaticContact CD1-CE2 3.63Å; F157-F240 HydrophobicContact CD1-CE2 3.63Å; F157-F240 HydrophobicContact CD1-CZ 4.25Å; F157-F240 AromaticContact CD2-CD1 3.98Å; F157-F240 HydrophobicContact CD2-CD1 3.98Å; F157-F240 AromaticContact CD2-CD2 3.88Å; F157-F240 HydrophobicContact CD2-CD2 3.88Å; F157-F240 AromaticContact CD2-CE1 3.91Å; F157-F240 HydrophobicContact CD2-CE1 3.91Å; F157-F240 AromaticContact CD2-CE2 3.81Å; F157-F240 HydrophobicContact CD2-CE2 3.81Å; F157-F240 AromaticContact CD2-CG 3.95Å; F157-F240 HydrophobicContact CD2-CG 3.95Å; F157-F240 AromaticContact CD2-CZ 3.81Å; F157-F240 HydrophobicContact CD2-CZ 3.81Å; F157-F240 HydrophobicContact CE1-CD2 4.34Å; F157-F240 AromaticContact CE1-CE2 3.58Å; F157-F240 HydrophobicContact CE1-CE2 3.58Å; F157-F240 AromaticContact CE1-CZ 3.87Å; F157-F240 HydrophobicContact CE1-CZ 3.87Å; F157-F240 HydrophobicContact CE2-CD1 4.17Å; F157-F240 HydrophobicContact CE2-CD2 4.29Å; F157-F240 AromaticContact CE2-CE1 3.62Å; F157-F240 HydrophobicContact CE2-CE1 3.62Å; F157-F240 AromaticContact CE2-CE2 3.75Å; F157-F240 HydrophobicContact CE2-CE2 3.75Å; F157-F240 HydrophobicContact CE2-CG 4.46Å; F157-F240 AromaticContact CE2-CZ 3.37Å; F157-F240 HydrophobicContact CE2-CZ 3.37Å; F157-F240 AromaticContact CG-CD2 3.69Å; F157-F240 HydrophobicContact CG-CD2 3.69Å; F157-F240 AromaticContact CG-CE2 3.75Å; F157-F240 HydrophobicContact CG-CE2 3.75Å; F157-F240 HydrophobicContact CG-CG 4.11Å; F157-F240 HydrophobicContact CG-CZ 4.23Å; F157-F240 HydrophobicContact CZ-CE1 4.14Å; F157-F240 AromaticContact CZ-CE2 3.65Å; F157-F240 HydrophobicContact CZ-CE2 3.65Å; F157-F240 AromaticContact CZ-CZ 3.41Å; F157-F240 HydrophobicContact CZ-CZ 3.41Å; F157-F240 VanDerWaalsContact CZ-CZ 3.41Å; F157-L242 HydrophobicContact CD1-CD1 4.26Å; F157-A254 HydrophobicContact CD2-CB 4.02Å; F157-A254 HydrophobicContact CE2-CB 3.94Å; F157-L257 HydrophobicContact CE2-CB 4.38Å; F157-L257 HydrophobicContact CZ-CB 4.01Å; F157-L257 HydrophobicContact CZ-CD1 4.48Å; F157-L258 HydrophobicContact CD2-CD1 4.17Å; F157-L258 HydrophobicContact CD2-CD2 4.16Å; F157-L258 HydrophobicContact CD2-CG 4.09Å; F157-L258 HydrophobicContact CE2-CD1 4.13Å; F157-L258 HydrophobicContact CE2-CD2 3.89Å; F157-L258 HydrophobicContact CE2-CG 3.63Å; F157-L258 HydrophobicContact CZ-CD2 4.07Å; F157-L258 HydrophobicContact CZ-CG 4.15Å
158P73.4Confident81.8Confident46 Ų4626.2 Ų26.230%0.29916%0.163SC..THydrogen-bonded Turntrans-53.3145167.2-17.228.9000109A160 I208 L242P158-A160 PolarHBondContact O-N 3.39Å; P158-A160 VanDerWaalsContact O-N 3.08Å; P158-I208 HydrophobicContact CG-CD1 3.72Å; P158-L242 HydrophobicContact CG-CD1 4.31Å
159N77.6Confident83.1Confident138 Ų13824.3 Ų24.374%0.73815%0.153SC*.THydrogen-bonded Turntrans64.75.1179.5-49.9-32.4000116.4G161 K281N159-G161 PolarHBondContact O-N 3.12Å; N159-K281 WeakPolarHBondContact O-CE 3.14Å; N159-K281 PolarHBondContact O-NZ 2.92Å
160A82.5Confident84Confident4 Ų424.7 Ų24.73%0.03316%0.156CC..SBendtrans-66.5-11.8167.100000112.5F157 P158 V234 N280F157-A160 VanDerWaalsContact O-CB 3.25Å; F157-A160 WeakPolarHBondContact O-CB 3.22Å; F157-A160 PolarHBondContact O-N 3.24Å; P158-A160 PolarHBondContact O-N 3.39Å; P158-A160 VanDerWaalsContact O-N 3.08Å; A160-V234 HydrophobicContact CB-CG1 4.28Å; A160-N280 PolarHBondContact O-ND2 2.84Å
161G83.9Confident83.9Confident14 Ų1429.3 Ų29.314%0.14418%0.181CC..  trans87.928.7178.100000114.2N159 S164 L165N159-G161 PolarHBondContact O-N 3.12Å; G161-S164 PolarHBondContact O-N 3.03Å; G161-L165 VanDerWaalsContact O-CB 3.28Å; G161-L165 WeakPolarHBondContact O-CB 3.45Å; G161-L165 PolarHBondContact O-N 3.37Å
162K87Confident83.1Confident15 Ų1530.8 Ų30.87%0.06520%0.196CC..Hα-helixtrans-57.3-51.4177.7-65.4-175.6-60.4-175.40113.3L154 G156 S164 L165 L166 D203 V234L154-K162 HydrophobicContact CB-CD 4.34Å; L154-K162 HydrophobicContact CD1-CB 4.19Å; L154-K162 WeakPolarHBondContact CD1-O 3.47Å; G156-K162 WeakPolarHBondContact O-CD 3.04Å; G156-K162 VanDerWaalsContact O-CE 3.27Å; G156-K162 WeakPolarHBondContact O-CE 3.38Å; G156-K162 PolarHBondContact O-NZ 3.3Å; K162-S164 VanDerWaalsContact C-N 3.34Å; K162-S164 PolarHBondContact O-N 2.96Å; K162-L165 WeakPolarHBondContact O-CB 3.5Å; K162-L165 PolarHBondContact O-N 3.17Å; K162-L166 WeakPolarHBondContact O-CB 3.46Å; K162-L166 PolarHBondContact O-N 3.44Å; K162-D203 IonicContact NZ-OD1 3.67Å; K162-V234 HydrophobicContact CG-CB 3.97Å; K162-V234 HydrophobicContact CG-CG1 4.3Å; K162-V234 HydrophobicContact CG-CG2 4.17Å
163S85.2Confident82.4Confident55 Ų5536.3 Ų36.339%0.38523%0.23SC..Hα-helixtrans-69.4-34.7-178.3-36.70000111.5L166 T167 D203S163-L166 PolarHBondContact O-N 3.21Å; S163-T167 WeakPolarHBondContact O-CB 3.48Å; S163-T167 PolarHBondContact O-N 3.21Å; S163-T167 PolarHBondContact O-OG1 2.92Å; S163-D203 PolarHBondContact OG-OD2 3.37Å
164S87.8Confident81.8Confident69 Ų6937.8 Ų37.848%0.48324%0.24SC..Hα-helixtrans-62.2-45.1170.5-52.10000111.5G161 K162 T167 A168G161-S164 PolarHBondContact O-N 3.03Å; K162-S164 VanDerWaalsContact C-N 3.34Å; K162-S164 PolarHBondContact O-N 2.96Å; S164-T167 PolarHBondContact O-N 2.76Å; S164-A168 WeakPolarHBondContact O-CB 3.37Å; S164-A168 PolarHBondContact O-N 3.38Å
165L88.8Confident80.9Confident0 Ų043.9 Ų43.90%027%0.268CS..Hα-helixtrans-63.8-42.5175.4177.657.5000112G161 K162 T167 A168 L169 L232 V234 V278 I326 L337G161-L165 VanDerWaalsContact O-CB 3.28Å; G161-L165 WeakPolarHBondContact O-CB 3.45Å; G161-L165 PolarHBondContact O-N 3.37Å; K162-L165 WeakPolarHBondContact O-CB 3.5Å; K162-L165 PolarHBondContact O-N 3.17Å; L165-T167 VanDerWaalsContact C-N 3.26Å; L165-T167 PolarHBondContact O-N 3.37Å; L165-A168 PolarHBondContact O-N 3.33Å; L165-L169 HydrophobicContact CD1-CD1 3.67Å; L165-L169 HydrophobicContact CD1-CG 3.87Å; L165-L169 HydrophobicContact CD2-CD1 4.41Å; L165-L169 HydrophobicContact CG-CD1 3.77Å; L165-L169 HydrophobicContact CG-CG 4.39Å; L165-L169 WeakPolarHBondContact O-CB 3.35Å; L165-L169 WeakPolarHBondContact O-CG 3.33Å; L165-L169 PolarHBondContact O-N 3.04Å; L165-L232 HydrophobicContact CD2-CD2 4.29Å; L165-V234 HydrophobicContact CD2-CG1 4.21Å; L165-V234 HydrophobicContact CD2-CG2 3.65Å; L165-V278 HydrophobicContact CD2-CB 4.47Å; L165-V278 HydrophobicContact CD2-CG1 3.87Å; L165-I326 HydrophobicContact CD1-CD1 3.24Å; L165-I326 HydrophobicContact CD2-CD1 3.97Å; L165-I326 HydrophobicContact CG-CD1 4.12Å; L165-L337 HydrophobicContact CD1-CD2 3.97Å; L165-L337 HydrophobicContact CD2-CD2 4.47Å
166L89.1Confident80Confident1 Ų149.1 Ų49.11%0.00530%0.295CS..Hα-helixtrans-58.4-43.7176.3-174.664.5000110.7L154 K162 S163 S170 P174 E187 I201 D203L154-L166 HydrophobicContact CD1-CB 3.98Å; L154-L166 HydrophobicContact CD1-CD1 4.31Å; K162-L166 WeakPolarHBondContact O-CB 3.46Å; K162-L166 PolarHBondContact O-N 3.44Å; S163-L166 PolarHBondContact O-N 3.21Å; L166-S170 WeakPolarHBondContact O-CB 3.21Å; L166-S170 PolarHBondContact O-N 2.99Å; L166-P174 HydrophobicContact CD2-CB 3.93Å; L166-P174 HydrophobicContact CD2-CG 4.16Å; L166-P174 HydrophobicContact CG-CB 4.35Å; L166-P174 HydrophobicContact CG-CG 4.1Å; L166-E187 HydrophobicContact CD2-CB 3.73Å; L166-I201 HydrophobicContact CD1-CB 3.76Å; L166-I201 HydrophobicContact CD1-CG2 3.65Å; L166-D203 HydrophobicContact CD2-CB 3.99Å
167T87.7Confident78.8Confident83 Ų8350 Ų5051%0.50930%0.302SS..Hα-helixtrans-66.3-42.7177.5-54.30000111.5S163 S164 L165S163-T167 WeakPolarHBondContact O-CB 3.48Å; S163-T167 PolarHBondContact O-N 3.21Å; S163-T167 PolarHBondContact O-OG1 2.92Å; S164-T167 PolarHBondContact O-N 2.76Å; L165-T167 VanDerWaalsContact C-N 3.26Å; L165-T167 PolarHBondContact O-N 3.37Å
168A87.9Confident77.6Confident37 Ų3753.3 Ų53.331%0.30633%0.327SS..Hα-helixtrans-67-34.9178.400000113.1S164 L165 V334S164-A168 WeakPolarHBondContact O-CB 3.37Å; S164-A168 PolarHBondContact O-N 3.38Å; L165-A168 PolarHBondContact O-N 3.33Å; A168-V334 HydrophobicContact CB-CG2 4.39Å
169L87.4Confident77Confident0 Ų053.2 Ų53.20%032%0.321CS..Hα-helixtrans-79-36177.8-76.4169.3000112.7L165 V191 I201 L232 V334 L337 K338 I341L165-L169 HydrophobicContact CD1-CD1 3.67Å; L165-L169 HydrophobicContact CD1-CG 3.87Å; L165-L169 HydrophobicContact CD2-CD1 4.41Å; L165-L169 HydrophobicContact CG-CD1 3.77Å; L165-L169 HydrophobicContact CG-CG 4.39Å; L165-L169 WeakPolarHBondContact O-CB 3.35Å; L165-L169 WeakPolarHBondContact O-CG 3.33Å; L165-L169 PolarHBondContact O-N 3.04Å; L169-V191 HydrophobicContact CB-CG2 4.11Å; L169-V191 WeakPolarHBondContact O-CG2 3.28Å; L169-I201 HydrophobicContact CB-CD1 4.32Å; L169-I201 HydrophobicContact CD1-CD1 3.91Å; L169-L232 HydrophobicContact CD1-CD2 4.49Å; L169-V334 HydrophobicContact CD2-CG1 3.74Å; L169-V334 HydrophobicContact CG-CG1 4.31Å; L169-L337 HydrophobicContact CD1-CD2 3.98Å; L169-L337 HydrophobicContact CD2-CD2 4.11Å; L169-L337 HydrophobicContact CD2-CG 4.28Å; L169-L337 HydrophobicContact CG-CD2 4.47Å; L169-K338 HydrophobicContact CD2-CG 3.66Å; L169-K338 VanDerWaalsContact O-CE 3.32Å; L169-K338 WeakPolarHBondContact O-CE 3.39Å; L169-I341 HydrophobicContact CD1-CD1 4.41Å
170S83.8Confident75.4Confident12 Ų1250 Ų508%0.08432%0.315CS..  trans-75.6127.9-175-172.20000110.8L166 A172 G189 K190L166-S170 WeakPolarHBondContact O-CB 3.21Å; L166-S170 PolarHBondContact O-N 2.99Å; S170-A172 VanDerWaalsContact CB-O 3.25Å; S170-A172 WeakPolarHBondContact CB-O 3.43Å; S170-A172 PolarHBondContact O-N 2.93Å; S170-A172 PolarHBondContact OG-N 2.59Å; S170-A172 PolarHBondContact OG-O 3.02Å; S170-G189 WeakPolarHBondContact OG-CA 3.43Å; S170-K190 WeakPolarHBondContact CA-O 3.47Å; S170-K190 PolarHBondContact OG-N 2.92Å; S170-K190 VanDerWaalsContact OG-N 3.08Å; S170-K190 PolarHBondContact OG-O 3.46Å
171N72.8Confident74Confident97 Ų9751.1 Ų51.152%0.51932%0.319SS..SBendtrans-75.4-5.3175.3-64-10000112.1K190 A192 K338N171-K190 PolarHBondContact N-O 3.29Å; N171-K190 VanDerWaalsContact N-O 3.1Å; N171-A192 WeakPolarHBondContact ND2-CB 3.33Å; N171-A192 PolarHBondContact ND2-N 3.44Å; N171-A192 PolarHBondContact ND2-O 2.88Å; N171-A192 VanDerWaalsContact ND2-O 3.15Å; N171-K338 PolarHBondContact OD1-NZ 3.25Å
172A65.4Low72.4Confident57 Ų5751.5 Ų51.547%0.47132%0.318SS..SBendtrans-131.9160.8177.600000110.4S170 P174S170-A172 VanDerWaalsContact CB-O 3.25Å; S170-A172 WeakPolarHBondContact CB-O 3.43Å; S170-A172 PolarHBondContact O-N 2.93Å; S170-A172 PolarHBondContact OG-N 2.59Å; S170-A172 PolarHBondContact OG-O 3.02Å; A172-P174 WeakPolarHBondContact O-CD 3.36Å
173T71Confident70.6Confident115 Ų11554.9 Ų54.971%0.70634%0.34SS*.PPolyproline II helixtrans-56.4124.4171.951.50000109.9Q175T173-Q175 PolarHBondContact O-N 3.44Å
174P74.6Confident69.3Low31 Ų3156.6 Ų56.620%0.20135%0.345CS..PPolyproline II helixtrans-51.3132.6176.6-27.435.1000111L166 A172 E187 I188L166-P174 HydrophobicContact CD2-CB 3.93Å; L166-P174 HydrophobicContact CD2-CG 4.16Å; L166-P174 HydrophobicContact CG-CB 4.35Å; L166-P174 HydrophobicContact CG-CG 4.1Å; A172-P174 WeakPolarHBondContact O-CD 3.36Å; P174-E187 HydrophobicContact CB-CB 4.45Å; P174-I188 WeakPolarHBondContact CA-O 3.33Å
175Q67.9Low68.3Low129 Ų12961 Ų6160%0.60335%0.351SS*.EExtended strand (participates in β ladder)trans-100.5135.6-178.9-66.7-175.6-0.400109.8T173 A177 I188T173-Q175 PolarHBondContact O-N 3.44Å; Q175-A177 PolarHBondContact O-N 3.14Å; Q175-I188 PolarHBondContact N-O 3.4Å; Q175-I188 PolarHBondContact O-N 2.84Å
176I66.6Low67.5Low110 Ų11061.1 Ų61.156%0.56435%0.351SS*.EExtended strand (participates in β ladder)trans-74.4113.8174-59.4175.6000108R185I176-R185 HydrophobicContact CG2-CB 3.36Å; I176-R185 HydrophobicContact CG2-CG 4.07Å
177A55.9Low67.1Low17 Ų1764.4 Ų64.414%0.1437%0.367CS..  trans-91.8124.2-179.700000111.1Q175 Y179 P186 I188Q175-A177 PolarHBondContact O-N 3.14Å; A177-Y179 HydrophobicContact CB-CD2 3.96Å; A177-Y179 HydrophobicContact CB-CE2 3.38Å; A177-P186 PolarHBondContact N-O 2.83Å; A177-P186 WeakPolarHBondContact O-CD 3.48Å; A177-I188 HydrophobicContact CB-CD1 3.45Å; A177-I188 VanDerWaalsContact CB-CD1 3.45Å; A177-I188 HydrophobicContact CB-CG1 3.84Å
178S53.7Low66.8Low89 Ų8961.5 Ų61.562%0.62235%0.348SS*.  trans-98.187.3176.859.60000110.6
179Y61.1Low66.6Low44 Ų4459.8 Ų59.817%0.17333%0.334CS..  trans-85.2138.2170.5-62.5-85.3000109.7I149 A177 F181 T182 P186 I188I149-Y179 HydrophobicContact CB-CE2 4.49Å; I149-Y179 HydrophobicContact CG1-CE2 4.41Å; I149-Y179 HydrophobicContact CG2-CE2 3.83Å; I149-Y179 PolarHBondContact O-OH 3.49Å; A177-Y179 HydrophobicContact CB-CD2 3.96Å; A177-Y179 HydrophobicContact CB-CE2 3.38Å; Y179-F181 HydrophobicContact CD1-CE1 4.03Å; Y179-F181 HydrophobicContact CD1-CZ 4.07Å; Y179-F181 HydrophobicContact CG-CE1 4.2Å; Y179-F181 HydrophobicContact CG-CZ 4.12Å; Y179-F181 PolarHBondContact O-N 3.18Å; Y179-T182 HydrophobicContact CD2-CG2 4.39Å; Y179-T182 PolarHBondContact O-N 3.39Å; Y179-T182 VanDerWaalsContact O-N 3.1Å; Y179-T182 PolarHBondContact O-OG1 3.24Å; Y179-P186 HydrophobicContact CD2-CG 4.17Å; Y179-P186 HydrophobicContact CE2-CG 4.23Å; Y179-I188 HydrophobicContact CE2-CD1 3.79Å; Y179-I188 VanDerWaalsContact OH-CD1 3.24Å; Y179-I188 WeakPolarHBondContact OH-CD1 3.47Å
180A43.9Very low66.4Low72 Ų7265.1 Ų65.160%0.59536%0.357SS*.THydrogen-bonded Turntrans-63.6-13.9-17500000114.4N111N111-A180 WeakPolarHBondContact O-CB 3.49Å
181F52.1Low66.6Low26 Ų2664.5 Ų64.511%0.11435%0.353CS..THydrogen-bonded Turntrans-105.71.7-17856.5-86.1000113.7I94 I149 Y179 H224 R227I94-F181 HydrophobicContact CG2-CD1 4.12Å; I149-F181 HydrophobicContact CD1-CE2 4.13Å; I149-F181 HydrophobicContact CD1-CZ 4.41Å; I149-F181 HydrophobicContact CG1-CZ 4.32Å; Y179-F181 HydrophobicContact CD1-CE1 4.03Å; Y179-F181 HydrophobicContact CD1-CZ 4.07Å; Y179-F181 HydrophobicContact CG-CE1 4.2Å; Y179-F181 HydrophobicContact CG-CZ 4.12Å; Y179-F181 PolarHBondContact O-N 3.18Å; F181-H224 AromaticContact CD2-CD2 3.67Å; F181-H224 AromaticContact CD2-CE1 3.73Å; F181-H224 AromaticContact CD2-NE2 2.93Å; F181-H224 WeakPolarHBondContact CD2-NE2 3.19Å; F181-H224 AromaticContact CE2-CD2 3.25Å; F181-H224 WeakPolarHBondContact CE2-CD2 3.23Å; F181-H224 AromaticContact CE2-NE2 3.07Å; F181-H224 WeakPolarHBondContact CE2-NE2 3.41Å; F181-R227 VanDerWaalsContact CE2-NH1 3.31Å
182T50.6Low67Low23 Ų2361.9 Ų61.914%0.14135%0.345CS..  trans-97.1130.517453.80000111.6Y179 L184 P186 H224Y179-T182 HydrophobicContact CD2-CG2 4.39Å; Y179-T182 PolarHBondContact O-N 3.39Å; Y179-T182 VanDerWaalsContact O-N 3.1Å; Y179-T182 PolarHBondContact O-OG1 3.24Å; T182-L184 VanDerWaalsContact CB-O 3.32Å; T182-L184 WeakPolarHBondContact CB-O 3.42Å; T182-P186 HydrophobicContact CG2-CG 4.47Å; T182-H224 WeakPolarHBondContact CG2-CD2 3.44Å; T182-H224 WeakPolarHBondContact CG2-NE2 3.28Å
183T48.8Very low68Low85 Ų8560.5 Ų60.552%0.52133%0.327SS..SBendtrans-81.7-33.7165.247.50000112
184L59.1Low68.5Low92 Ų9261.2 Ų61.248%0.48233%0.334SS..SBendtrans-105.4123.2172.9-67171.2000109T182 P186 P205T182-L184 VanDerWaalsContact CB-O 3.32Å; T182-L184 WeakPolarHBondContact CB-O 3.42Å; L184-P186 VanDerWaalsContact O-CD 3.28Å; L184-P186 WeakPolarHBondContact O-CD 3.33Å; L184-P205 HydrophobicContact CB-CG 4.09Å; L184-P205 WeakPolarHBondContact CD1-O 3.47Å
185R65.2Low68.9Low161 Ų16163.7 Ų63.761%0.60835%0.345SS*.  trans-75115.8-178.3-61.4-178179.2-175.1-2.2109.4I176I176-R185 HydrophobicContact CG2-CB 3.36Å; I176-R185 HydrophobicContact CG2-CG 4.07Å
186P73.4Confident69.4Low2 Ų267.6 Ų67.61%0.01336%0.356CS..  trans-69.6147.317629.6-34.8000110.5I149 A177 Y179 T182 L184 D203 L204I149-P186 HydrophobicContact CG2-CG 4.25Å; A177-P186 PolarHBondContact N-O 2.83Å; A177-P186 WeakPolarHBondContact O-CD 3.48Å; Y179-P186 HydrophobicContact CD2-CG 4.17Å; Y179-P186 HydrophobicContact CE2-CG 4.23Å; T182-P186 HydrophobicContact CG2-CG 4.47Å; L184-P186 VanDerWaalsContact O-CD 3.28Å; L184-P186 WeakPolarHBondContact O-CD 3.33Å; P186-D203 WeakPolarHBondContact CB-O 3.43Å; P186-L204 HydrophobicContact CB-CD2 4.12Å
187E79.5Confident69.7Low71 Ų7166.3 Ų66.333%0.33235%0.347SS..EExtended strand (participates in β ladder)trans-86127168.9-65.9-174.3172.900108.9L166 P174 A202 D203L166-E187 HydrophobicContact CD2-CB 3.73Å; P174-E187 HydrophobicContact CB-CB 4.45Å; E187-A202 CarbonylContact O-C 3.58Å; E187-A202 VanDerWaalsContact O-CA 3.32Å; E187-A202 WeakPolarHBondContact O-CA 3.35Å; E187-D203 HydrophobicContact CB-CB 4.39Å; E187-D203 PolarHBondContact N-O 3.09Å; E187-D203 PolarHBondContact O-N 2.86Å
188I81.9Confident70.9Confident21 Ų2171.4 Ų71.411%0.10837%0.367CS..EExtended strand (participates in β ladder)trans-113.3120179.6-57.8-172.4000109.7I149 P174 Q175 A177 Y179 I201 A202I149-I188 HydrophobicContact CG2-CD1 4.21Å; I149-I188 WeakPolarHBondContact O-CD1 3.41Å; P174-I188 WeakPolarHBondContact CA-O 3.33Å; Q175-I188 PolarHBondContact N-O 3.4Å; Q175-I188 PolarHBondContact O-N 2.84Å; A177-I188 HydrophobicContact CB-CD1 3.45Å; A177-I188 VanDerWaalsContact CB-CD1 3.45Å; A177-I188 HydrophobicContact CB-CG1 3.84Å; Y179-I188 HydrophobicContact CE2-CD1 3.79Å; Y179-I188 VanDerWaalsContact OH-CD1 3.24Å; Y179-I188 WeakPolarHBondContact OH-CD1 3.47Å; I188-I201 CarbonylContact C-O 3.59Å; I188-I201 WeakPolarHBondContact CA-O 3.49Å; I188-A202 HydrophobicContact CG1-CB 4.25Å
189G83.9Confident72.3Confident1 Ų167.3 Ų67.31%0.0134%0.339CS..EExtended strand (participates in β ladder)trans-97.3151.616800000111.3S170 I201S170-G189 WeakPolarHBondContact OG-CA 3.43Å; G189-I201 PolarHBondContact N-O 3.27Å; G189-I201 PolarHBondContact O-N 3Å
190K84.1Confident73.5Confident112 Ų11266.6 Ų66.649%0.48734%0.34SS..EExtended strand (participates in β ladder)trans-118.9122.6174-68.1-175.3-177.8-179.80109.6S170 N171S170-K190 WeakPolarHBondContact CA-O 3.47Å; S170-K190 PolarHBondContact OG-N 2.92Å; S170-K190 VanDerWaalsContact OG-N 3.08Å; S170-K190 PolarHBondContact OG-O 3.46Å; N171-K190 PolarHBondContact N-O 3.29Å; N171-K190 VanDerWaalsContact N-O 3.1Å
191V86.4Confident75.5Confident0 Ų063.1 Ų63.10%031%0.311CS..EExtended strand (participates in β ladder)trans-96.8117.1172.3-171.60000107.5L169 Y193 Q198 I199 I201 K338L169-V191 HydrophobicContact CB-CG2 4.11Å; L169-V191 WeakPolarHBondContact O-CG2 3.28Å; V191-Y193 HydrophobicContact CB-CE2 4.13Å; V191-Y193 HydrophobicContact CG1-CD2 4.36Å; V191-Y193 HydrophobicContact CG1-CE2 3.72Å; V191-Q198 WeakPolarHBondContact O-CA 3.1Å; V191-I199 PolarHBondContact N-O 2.87Å; V191-I199 PolarHBondContact O-N 2.87Å; V191-I201 HydrophobicContact CG2-CD1 3.45Å; V191-I201 VanDerWaalsContact CG2-CD1 3.45Å; V191-I201 HydrophobicContact CG2-CG1 4.05Å; V191-K338 HydrophobicContact CG1-CD 3.98Å; V191-K338 HydrophobicContact CG1-CG 3.99Å
192A82.9Confident77.1Confident42 Ų4261.9 Ų61.935%0.34731%0.306SS..EExtended strand (participates in β ladder)trans-97.9135.1173.300000109.8N171 Q198N171-A192 WeakPolarHBondContact ND2-CB 3.33Å; N171-A192 PolarHBondContact ND2-N 3.44Å; N171-A192 PolarHBondContact ND2-O 2.88Å; N171-A192 VanDerWaalsContact ND2-O 3.15Å; A192-Q198 HydrophobicContact CB-CG 4.41Å
193Y84.8Confident78.6Confident27 Ų2761.3 Ų61.311%0.10630%0.302CS..PPolyproline II helixtrans-103.4160.4178.8-71-92.8000111.1V191 D195 Y196 K197 I199 K338 R342V191-Y193 HydrophobicContact CB-CE2 4.13Å; V191-Y193 HydrophobicContact CG1-CD2 4.36Å; V191-Y193 HydrophobicContact CG1-CE2 3.72Å; Y193-D195 WeakPolarHBondContact CB-OD1 3.15Å; Y193-D195 PolarHBondContact O-N 2.88Å; Y193-D195 VanDerWaalsContact O-N 3.13Å; Y193-Y196 PolarHBondContact O-N 3.48Å; Y193-K197 PolarHBondContact N-O 3.39Å; Y193-I199 HydrophobicContact CD2-CD1 4.04Å; Y193-I199 HydrophobicContact CD2-CG1 4.04Å; Y193-I199 HydrophobicContact CE2-CB 3.98Å; Y193-I199 HydrophobicContact CE2-CD1 3.3Å; Y193-I199 HydrophobicContact CE2-CG1 3.55Å; Y193-K338 HydrophobicContact CE1-CB 4.14Å; Y193-K338 VanDerWaalsContact CE1-O 3.3Å; Y193-K338 WeakPolarHBondContact CE1-O 3.06Å; Y193-K338 PolarHBondContact OH-O 3.16Å; Y193-R342 HydrophobicContact CD1-CB 4.31Å; Y193-R342 HydrophobicContact CD1-CG 4.39Å; Y193-R342 HydrophobicContact CE1-CB 3.61Å; Y193-R342 HydrophobicContact CE1-CG 4.16Å
194P82.3Confident79.6Confident131 Ų13157.3 Ų57.385%0.85128%0.278SS*.THydrogen-bonded Turntrans-59.1-23.3179.4-25.335000114.4Y196P194-Y196 PolarHBondContact O-N 2.9Å
195D82.7Confident79.5Confident82 Ų8255.1 Ų55.144%0.43927%0.269SS..THydrogen-bonded Turntrans-84.217.3176.270.1-23.6000113.4Y193 K197 R342Y193-D195 WeakPolarHBondContact CB-OD1 3.15Å; Y193-D195 PolarHBondContact O-N 2.88Å; Y193-D195 VanDerWaalsContact O-N 3.13Å; D195-K197 PolarHBondContact O-N 2.82Å; D195-K197 WeakPolarHBondContact OD1-CB 3.17Å; D195-K197 PolarHBondContact OD1-N 3.21Å; D195-R342 IonicContact OD1-NH1 3.23Å; D195-R342 PolarHBondContact OD1-NH1 2.94Å; D195-R342 VanDerWaalsContact OD1-NH1 3.16Å; D195-R342 IonicContact OD2-CZ 2.72Å; D195-R342 IonicContact OD2-NH1 3.84Å; D195-R342 PolarHBondContact OD2-NH1 2.76Å; D195-R342 IonicContact OD2-NH2 3.83Å; D195-R342 PolarHBondContact OD2-NH2 2.85Å
196Y77.8Confident78.9Confident212 Ų21248.5 Ų48.583%0.83125%0.251SS*.SBendtrans61.72.7-176.4-56.6-81.5000115.6Y193 P194Y193-Y196 PolarHBondContact O-N 3.48Å; P194-Y196 PolarHBondContact O-N 2.9Å
197K74.5Confident78Confident83 Ų8348.4 Ų48.436%0.36125%0.25SS..  trans-73137.7174.1-174152142.3-166.70109.3Y193 D195 R342 D346Y193-K197 PolarHBondContact N-O 3.39Å; D195-K197 PolarHBondContact O-N 2.82Å; D195-K197 WeakPolarHBondContact OD1-CB 3.17Å; D195-K197 PolarHBondContact OD1-N 3.21Å; K197-R342 VanDerWaalsContact CE-CZ 3.49Å; K197-D346 IonicContact NZ-OD1 2.83Å; K197-D346 PolarHBondContact NZ-OD1 3.43Å
198Q80Confident76.8Confident123 Ų12346 Ų4658%0.57524%0.239SC*.EExtended strand (participates in β ladder)trans-112.8134.4177.4-63.6-176.55.900109.1V191 A192V191-Q198 WeakPolarHBondContact O-CA 3.1Å; A192-Q198 HydrophobicContact CB-CG 4.41Å
199I84.4Confident75.2Confident4 Ų451.6 Ų51.62%0.02127%0.265CS..EExtended strand (participates in β ladder)trans-118.6130.3176.8-57.6-173.6000107.7D151 L152 V191 Y193 I341 L345D151-I199 HydrophobicContact CB-CG2 3.79Å; L152-I199 HydrophobicContact CD1-CG2 3.31Å; V191-I199 PolarHBondContact N-O 2.87Å; V191-I199 PolarHBondContact O-N 2.87Å; Y193-I199 HydrophobicContact CD2-CD1 4.04Å; Y193-I199 HydrophobicContact CD2-CG1 4.04Å; Y193-I199 HydrophobicContact CE2-CB 3.98Å; Y193-I199 HydrophobicContact CE2-CD1 3.3Å; Y193-I199 HydrophobicContact CE2-CG1 3.55Å; I199-I341 HydrophobicContact CD1-CG2 4.5Å; I199-L345 HydrophobicContact CD1-CD1 3.73Å; I199-L345 HydrophobicContact CG1-CD1 4.44Å; I199-L345 HydrophobicContact CG2-CD1 3.65Å
200S84.3Confident73.6Confident28 Ų2852.3 Ų52.320%0.19627%0.272CS..EExtended strand (participates in β ladder)trans-92.9134.2179.453.20000110.4A150 D151 L152A150-S200 VanDerWaalsContact CA-OG 3.26Å; A150-S200 WeakPolarHBondContact CA-OG 3.35Å; D151-S200 WeakPolarHBondContact CB-O 3.43Å; D151-S200 PolarHBondContact N-O 3.43Å; D151-S200 PolarHBondContact N-OG 2.94Å; D151-S200 PolarHBondContact OD2-N 2.98Å; D151-S200 PolarHBondContact OD2-OG 2.81Å; L152-S200 PolarHBondContact N-O 3.07Å
201I87.6Confident71.9Confident0 Ų047.4 Ų47.40%025%0.253CS..EExtended strand (participates in β ladder)trans-122.4128.1175.9-53.4-175.6000107.3L152 L154 L166 L169 I188 G189 V191 I341L152-I201 HydrophobicContact CB-CG1 4.24Å; L152-I201 HydrophobicContact CB-CG2 4.3Å; L152-I201 HydrophobicContact CD1-CG1 4.09Å; L152-I201 WeakPolarHBondContact O-CA 2.86Å; L154-I201 HydrophobicContact CD1-CG2 4.33Å; L154-I201 HydrophobicContact CD2-CG2 3.74Å; L154-I201 HydrophobicContact CG-CG2 3.84Å; L166-I201 HydrophobicContact CD1-CB 3.76Å; L166-I201 HydrophobicContact CD1-CG2 3.65Å; L169-I201 HydrophobicContact CB-CD1 4.32Å; L169-I201 HydrophobicContact CD1-CD1 3.91Å; I188-I201 CarbonylContact C-O 3.59Å; I188-I201 WeakPolarHBondContact CA-O 3.49Å; G189-I201 PolarHBondContact N-O 3.27Å; G189-I201 PolarHBondContact O-N 3Å; V191-I201 HydrophobicContact CG2-CD1 3.45Å; V191-I201 VanDerWaalsContact CG2-CD1 3.45Å; V191-I201 HydrophobicContact CG2-CG1 4.05Å; I201-I341 HydrophobicContact CD1-CD1 4.41Å
202A84.5Confident69.9Low0 Ų051.5 Ų51.50%027%0.272CS..EExtended strand (participates in β ladder)trans-108.2128.6173.600000110.5I149 A150 L152 G153 L154 E187 I188 L204I149-A202 HydrophobicContact CG2-CB 4.14Å; A150-A202 HydrophobicContact CB-CB 3.48Å; A150-A202 VanDerWaalsContact CB-CB 3.48Å; L152-A202 PolarHBondContact O-N 3.06Å; G153-A202 WeakPolarHBondContact CA-O 3.39Å; L154-A202 PolarHBondContact N-O 3.43Å; E187-A202 CarbonylContact O-C 3.58Å; E187-A202 VanDerWaalsContact O-CA 3.32Å; E187-A202 WeakPolarHBondContact O-CA 3.35Å; I188-A202 HydrophobicContact CG1-CB 4.25Å; A202-L204 HydrophobicContact CB-CD2 3.87Å; A202-L204 HydrophobicContact CB-CG 4.24Å
203D82.5Confident68.3Low11 Ų1155.5 Ų55.56%0.05929%0.287CS..EExtended strand (participates in β ladder)trans-76.4121.3156.2-166.82.5000107.7L154 K162 S163 L166 P186 E187 P205L154-D203 HydrophobicContact CD1-CB 4.15Å; K162-D203 IonicContact NZ-OD1 3.67Å; S163-D203 PolarHBondContact OG-OD2 3.37Å; L166-D203 HydrophobicContact CD2-CB 3.99Å; P186-D203 WeakPolarHBondContact CB-O 3.43Å; E187-D203 HydrophobicContact CB-CB 4.39Å; E187-D203 PolarHBondContact N-O 3.09Å; E187-D203 PolarHBondContact O-N 2.86Å; D203-P205 WeakPolarHBondContact O-CD 3.32Å
204L69.4Low66.4Low1 Ų158.3 Ų58.31%0.00530%0.304CS..  trans-101.598.4-178.7-62.4178.3000106P186 A202 G206 L207 F221 H224 V225 T228P186-L204 HydrophobicContact CB-CD2 4.12Å; A202-L204 HydrophobicContact CB-CD2 3.87Å; A202-L204 HydrophobicContact CB-CG 4.24Å; L204-G206 PolarHBondContact O-N 2.99Å; L204-L207 HydrophobicContact CB-CD1 4.26Å; L204-F221 HydrophobicContact CB-CE1 4.38Å; L204-F221 HydrophobicContact CB-CE2 3.93Å; L204-F221 HydrophobicContact CB-CZ 3.43Å; L204-F221 VanDerWaalsContact CB-CZ 3.43Å; L204-F221 WeakPolarHBondContact O-CZ 3.44Å; L204-H224 HydrophobicContact CD2-CB 4.35Å; L204-V225 HydrophobicContact CD1-CB 4.23Å; L204-V225 HydrophobicContact CD1-CG2 3.61Å; L204-T228 HydrophobicContact CD1-CG2 4.2Å
205P57.3Low64.7Low45 Ų4563.9 Ų63.929%0.29231%0.308SS..THydrogen-bonded Turntrans-72.7114.4175.327.5-34.2000110.7L184 D203 F221L184-P205 HydrophobicContact CB-CG 4.09Å; L184-P205 WeakPolarHBondContact CD1-O 3.47Å; D203-P205 WeakPolarHBondContact O-CD 3.32Å; P205-F221 VanDerWaalsContact C-CE2 3.5Å; P205-F221 WeakPolarHBondContact O-CD2 3.45Å; P205-F221 WeakPolarHBondContact O-CE2 3.4Å; P205-F221 WeakPolarHBondContact O-CZ 3.37Å
206G53.6Low62.8Low23 Ų2362.2 Ų62.224%0.23731%0.31CS..THydrogen-bonded Turntrans133.2-4.2174.200000116.3L204 I208 A211 F221L204-G206 PolarHBondContact O-N 2.99Å; G206-I208 PolarHBondContact O-N 2.94Å; G206-A211 WeakPolarHBondContact O-CB 3.43Å; G206-F221 VanDerWaalsContact C-CE1 3.44Å
207L53.5Low61.2Low0 Ų057.6 Ų57.60%030%0.297CS..SBendtrans-71.48.6179.2-109.6152.3000114.8V155 L204 F221 L222 V225 E262 L263V155-L207 HydrophobicContact CB-CD1 4.21Å; V155-L207 HydrophobicContact CG1-CB 4.4Å; V155-L207 HydrophobicContact CG1-CD1 3.98Å; V155-L207 HydrophobicContact CG1-CD2 3.96Å; V155-L207 HydrophobicContact CG1-CG 4.33Å; V155-L207 HydrophobicContact CG2-CD1 3.69Å; L204-L207 HydrophobicContact CB-CD1 4.26Å; L207-F221 HydrophobicContact CB-CE1 4.18Å; L207-F221 HydrophobicContact CD1-CE1 4.35Å; L207-F221 HydrophobicContact CG-CE1 3.96Å; L207-F221 VanDerWaalsContact N-CE1 3.34Å; L207-L222 HydrophobicContact CD2-CD2 3.7Å; L207-L222 HydrophobicContact CG-CD2 3.95Å; L207-V225 HydrophobicContact CD1-CG1 4.42Å; L207-V225 HydrophobicContact CD1-CG2 3.45Å; L207-V225 VanDerWaalsContact CD1-CG2 3.45Å; L207-V225 HydrophobicContact CD2-CG2 4.45Å; L207-V225 HydrophobicContact CG-CG2 3.98Å; L207-E262 HydrophobicContact CD2-CB 4.32Å; L207-E262 WeakPolarHBondContact O-CB 3.38Å; L207-E262 WeakPolarHBondContact O-CG 3.46Å; L207-L263 HydrophobicContact CD2-CD2 3.78Å
208I54.6Low60.1Low20 Ų2054 Ų5410%0.10328%0.283CS..SBendtrans-145.3-20.2-159.626156.8000114.5G156 F157 P158 G206 L258G156-I208 VanDerWaalsContact O-CD1 3.22Å; G156-I208 WeakPolarHBondContact O-CD1 3.23Å; G156-I208 WeakPolarHBondContact O-CG2 3.29Å; F157-I208 HydrophobicContact CB-CG2 4.49Å; F157-I208 HydrophobicContact CD1-CB 4.28Å; F157-I208 HydrophobicContact CD1-CG2 3.62Å; F157-I208 HydrophobicContact CE1-CG2 3.94Å; F157-I208 HydrophobicContact CG-CG2 4.08Å; P158-I208 HydrophobicContact CG-CD1 3.72Å; G206-I208 PolarHBondContact O-N 2.94Å; I208-L258 HydrophobicContact CG2-CD2 3.47Å; I208-L258 VanDerWaalsContact CG2-CD2 3.47Å
209E49.3Very low58.8Low138 Ų13853.8 Ų53.865%0.64528%0.282SS*.SBendtrans-109.182.9177.2-76-171.6172.400110.5A211E209-A211 PolarHBondContact O-N 2.78Å
210G48.9Very low57.3Low16 Ų1659.1 Ų59.117%0.16531%0.305CS..SBendtrans53.137.4169.600000113H212 L213 N214G210-H212 PolarHBondContact O-N 3.43Å; G210-L213 CarbonylContact O-C 3.47Å; G210-L213 WeakPolarHBondContact O-CA 3.42Å; G210-L213 PolarHBondContact O-N 2.91Å; G210-N214 PolarHBondContact O-N 3.47Å; G210-N214 PolarHBondContact O-ND2 3.43Å
211A47.9Very low56Low10 Ų1058.4 Ų58.48%0.08330%0.299CS..THydrogen-bonded Turntrans-58.2-32177.300000110.9G206 E209 G218 L222 E262G206-A211 WeakPolarHBondContact O-CB 3.43Å; E209-A211 PolarHBondContact O-N 2.78Å; A211-G218 WeakPolarHBondContact O-CA 3.11Å; A211-L222 HydrophobicContact CB-CD1 4.06Å; A211-E262 WeakPolarHBondContact CB-OE2 3.15Å
212H46.3Very low54.7Low85 Ų8558.5 Ų58.539%0.39430%0.299SS..THydrogen-bonded Turntrans-71.5-29.9171.966.5-85.2000113.7G210 E262G210-H212 PolarHBondContact O-N 3.43Å; H212-E262 IonicContact CE1-OE1 3.92Å; H212-E262 IonicContact ND1-OE1 2.84Å; H212-E262 PolarHBondContact ND1-OE1 2.96Å; H212-E262 VanDerWaalsContact ND1-OE1 3.14Å
213L47.3Very low53.7Low127 Ų12762.2 Ų62.267%0.66532%0.315SS*.THydrogen-bonded Turntrans-84-30.9179.4-80.1154.5000112.9G210 R215G210-L213 CarbonylContact O-C 3.47Å; G210-L213 WeakPolarHBondContact O-CA 3.42Å; G210-L213 PolarHBondContact O-N 2.91Å; L213-R215 PolarHBondContact O-N 3.13Å
214N46.4Very low52.8Low86 Ų8661.9 Ų61.946%0.4631%0.313SS..SBendtrans-81.879.2-178.5-75.2-45.2000111.3G210 G216 M217 G218G210-N214 PolarHBondContact O-N 3.47Å; G210-N214 PolarHBondContact O-ND2 3.43Å; N214-G216 PolarHBondContact O-N 3.4Å; N214-M217 PolarHBondContact O-N 3.11Å; N214-G218 PolarHBondContact O-N 3.46Å
215R45Very low52.9Low248 Ų24861.8 Ų61.894%0.93631%0.313SS*.THydrogen-bonded Turntrans-44.55.5-176-84.5-174.6173.2170.6-1119.3L213L213-R215 PolarHBondContact O-N 3.13Å
216G42.8Very low53.5Low47 Ų4761.5 Ų61.549%0.48531%0.308SS..THydrogen-bonded Turntrans-147.5-22.6175.400000116.4N214N214-G216 PolarHBondContact O-N 3.4Å
217M45.5Very low54.3Low115 Ų11561.8 Ų61.857%0.56730%0.302SS*.THydrogen-bonded Turntrans-98.7-37-176.2-68-164.3-7500113.1N214 H219 K220 F221N214-M217 PolarHBondContact O-N 3.11Å; M217-H219 VanDerWaalsContact C-N 3.32Å; M217-H219 PolarHBondContact O-N 2.73Å; M217-K220 PolarHBondContact O-N 2.95Å; M217-F221 PolarHBondContact O-N 3.43Å; M217-F221 VanDerWaalsContact O-N 3.1Å
218G50.2Low55.4Low6 Ų662 Ų626%0.06230%0.303CS..Hα-helixtrans-61.8-37.2179.100000113.2A211 N214 K220 F221 L222A211-G218 WeakPolarHBondContact O-CA 3.11Å; N214-G218 PolarHBondContact O-N 3.46Å; G218-K220 PolarHBondContact O-N 3.22Å; G218-F221 PolarHBondContact O-N 2.9Å; G218-L222 WeakPolarHBondContact O-CB 3.46Å; G218-L222 WeakPolarHBondContact O-CG 3.5Å; G218-L222 PolarHBondContact O-N 3.23Å
219H52.7Low56.6Low120 Ų12064.9 Ų64.956%0.55632%0.315SS*.Hα-helixtrans-65.6-37.4176.2-101-58.3000114.3M217 K223 Y266M217-H219 VanDerWaalsContact C-N 3.32Å; M217-H219 PolarHBondContact O-N 2.73Å; H219-K223 WeakPolarHBondContact O-CG 3.33Å; H219-K223 PolarHBondContact O-N 3.5Å; H219-Y266 HydrophobicContact CB-CE2 4.5Å; H219-Y266 AromaticContact CE1-CE2 3.51Å; H219-Y266 AromaticContact CG-CE2 3.9Å; H219-Y266 AromaticContact ND1-CE2 3.1Å; H219-Y266 WeakPolarHBondContact ND1-CE2 3.4Å; H219-Y266 AromaticContact ND1-CZ 3.65Å; H219-Y266 PolarHBondContact ND1-OH 3.03Å; H219-Y266 PolarHBondContact O-OH 3Å
220K53.1Low58.3Low115 Ų11558.4 Ų58.450%0.528%0.284SS..Hα-helixtrans-68.1-46.3174.7-71-176.8-179.3-179.80109.1M217 G218 K223 H224M217-K220 PolarHBondContact O-N 2.95Å; G218-K220 PolarHBondContact O-N 3.22Å; K220-K223 WeakPolarHBondContact O-CB 3.48Å; K220-K223 PolarHBondContact O-N 3.26Å; K220-H224 PolarHBondContact O-CE1 2.72Å; K220-H224 PolarHBondContact O-ND1 3.34Å
221F56.8Low60.1Low14 Ų1457.7 Ų57.76%0.06128%0.277CS..Hα-helixtrans-63.1-45.8-178.3177.9-99.9000113.6L204 P205 G206 L207 M217 G218 K223 H224 V225L204-F221 HydrophobicContact CB-CE1 4.38Å; L204-F221 HydrophobicContact CB-CE2 3.93Å; L204-F221 HydrophobicContact CB-CZ 3.43Å; L204-F221 VanDerWaalsContact CB-CZ 3.43Å; L204-F221 WeakPolarHBondContact O-CZ 3.44Å; P205-F221 VanDerWaalsContact C-CE2 3.5Å; P205-F221 WeakPolarHBondContact O-CD2 3.45Å; P205-F221 WeakPolarHBondContact O-CE2 3.4Å; P205-F221 WeakPolarHBondContact O-CZ 3.37Å; G206-F221 VanDerWaalsContact C-CE1 3.44Å; L207-F221 HydrophobicContact CB-CE1 4.18Å; L207-F221 HydrophobicContact CD1-CE1 4.35Å; L207-F221 HydrophobicContact CG-CE1 3.96Å; L207-F221 VanDerWaalsContact N-CE1 3.34Å; M217-F221 PolarHBondContact O-N 3.43Å; M217-F221 VanDerWaalsContact O-N 3.1Å; G218-F221 PolarHBondContact O-N 2.9Å; F221-K223 VanDerWaalsContact C-N 3.28Å; F221-K223 PolarHBondContact O-N 2.89Å; F221-H224 VanDerWaalsContact CA-ND1 3.29Å; F221-H224 WeakPolarHBondContact CA-ND1 3.26Å; F221-H224 WeakPolarHBondContact O-CA 3.23Å; F221-H224 WeakPolarHBondContact O-CB 3.48Å; F221-H224 PolarHBondContact O-N 3.38Å; F221-H224 PolarHBondContact O-ND1 2.94Å; F221-V225 HydrophobicContact CE1-CG2 4.45Å
222L61.8Low62.2Low2 Ų257.2 Ų57.21%0.0127%0.273CS..Hα-helixtrans-70.6-21.6-178.9-69.5164.1000113.2L207 A211 G218 H224 V225 E226 Y266L207-L222 HydrophobicContact CD2-CD2 3.7Å; L207-L222 HydrophobicContact CG-CD2 3.95Å; A211-L222 HydrophobicContact CB-CD1 4.06Å; G218-L222 WeakPolarHBondContact O-CB 3.46Å; G218-L222 WeakPolarHBondContact O-CG 3.5Å; G218-L222 PolarHBondContact O-N 3.23Å; L222-H224 PolarHBondContact O-N 3.37Å; L222-H224 VanDerWaalsContact O-N 3.16Å; L222-V225 HydrophobicContact CD2-CG2 4Å; L222-V225 WeakPolarHBondContact O-CB 3.2Å; L222-V225 PolarHBondContact O-N 2.95Å; L222-V225 VanDerWaalsContact O-N 3.16Å; L222-E226 PolarHBondContact O-N 2.94Å; L222-Y266 HydrophobicContact CB-CD1 3.74Å; L222-Y266 HydrophobicContact CB-CD2 3.76Å; L222-Y266 HydrophobicContact CB-CE1 3.43Å; L222-Y266 VanDerWaalsContact CB-CE1 3.43Å; L222-Y266 HydrophobicContact CB-CE2 3.39Å; L222-Y266 HydrophobicContact CB-CG 3.89Å; L222-Y266 HydrophobicContact CD1-CD1 4.14Å; L222-Y266 HydrophobicContact CD1-CD2 3.11Å; L222-Y266 HydrophobicContact CD1-CE2 3.56Å; L222-Y266 HydrophobicContact CD1-CG 3.41Å; L222-Y266 VanDerWaalsContact CD1-CG 3.41Å; L222-Y266 HydrophobicContact CG-CD1 4.41Å; L222-Y266 HydrophobicContact CG-CD2 4.01Å; L222-Y266 HydrophobicContact CG-CE2 4.08Å; L222-Y266 HydrophobicContact CG-CG 4.15Å
223K62.1Low64.2Low77 Ų7753.1 Ų53.134%0.33525%0.254SS..Hα-helixtrans-59.3-19.9163.3-72.1176178.5-178.10112.8H219 K220 F221 R227 Y266H219-K223 WeakPolarHBondContact O-CG 3.33Å; H219-K223 PolarHBondContact O-N 3.5Å; K220-K223 WeakPolarHBondContact O-CB 3.48Å; K220-K223 PolarHBondContact O-N 3.26Å; F221-K223 VanDerWaalsContact C-N 3.28Å; F221-K223 PolarHBondContact O-N 2.89Å; K223-R227 VanDerWaalsContact C-NH1 3.3Å; K223-R227 VanDerWaalsContact O-CG 3.28Å; K223-R227 WeakPolarHBondContact O-CG 3.44Å; K223-R227 PolarHBondContact O-N 3.46Å; K223-R227 PolarHBondContact O-NH1 2.92Å; K223-Y266 PolarHBondContact N-OH 3.04Å
224H65.4Low66.2Low4 Ų447.1 Ų47.12%0.01922%0.222CC..Hα-helixtrans-79.4-39.2176-5878.8000110.9I149 F181 T182 L204 K220 F221 L222 E226 R227I149-H224 HydrophobicContact CD1-CB 3.2Å; I149-H224 WeakPolarHBondContact CD1-CD2 3.44Å; I149-H224 VanDerWaalsContact CD1-CG 3.47Å; F181-H224 AromaticContact CD2-CD2 3.67Å; F181-H224 AromaticContact CD2-CE1 3.73Å; F181-H224 AromaticContact CD2-NE2 2.93Å; F181-H224 WeakPolarHBondContact CD2-NE2 3.19Å; F181-H224 AromaticContact CE2-CD2 3.25Å; F181-H224 WeakPolarHBondContact CE2-CD2 3.23Å; F181-H224 AromaticContact CE2-NE2 3.07Å; F181-H224 WeakPolarHBondContact CE2-NE2 3.41Å; T182-H224 WeakPolarHBondContact CG2-CD2 3.44Å; T182-H224 WeakPolarHBondContact CG2-NE2 3.28Å; L204-H224 HydrophobicContact CD2-CB 4.35Å; K220-H224 PolarHBondContact O-CE1 2.72Å; K220-H224 PolarHBondContact O-ND1 3.34Å; F221-H224 VanDerWaalsContact CA-ND1 3.29Å; F221-H224 WeakPolarHBondContact CA-ND1 3.26Å; F221-H224 WeakPolarHBondContact O-CA 3.23Å; F221-H224 WeakPolarHBondContact O-CB 3.48Å; F221-H224 PolarHBondContact O-N 3.38Å; F221-H224 PolarHBondContact O-ND1 2.94Å; L222-H224 PolarHBondContact O-N 3.37Å; L222-H224 VanDerWaalsContact O-N 3.16Å; H224-E226 PolarHBondContact O-N 3.07Å; H224-R227 CarbonylContact O-C 3.55Å; H224-R227 WeakPolarHBondContact O-CA 3.49Å; H224-R227 WeakPolarHBondContact O-CB 3.33Å; H224-R227 PolarHBondContact O-N 2.82Å
225V70.3Confident68.3Low0 Ų043.1 Ų43.10%020%0.201CC..Hα-helixtrans-61.6-35.7169.6-174.10000110.7L204 L207 F221 L222 R227 T228 L231 L270 K273L204-V225 HydrophobicContact CD1-CB 4.23Å; L204-V225 HydrophobicContact CD1-CG2 3.61Å; L207-V225 HydrophobicContact CD1-CG1 4.42Å; L207-V225 HydrophobicContact CD1-CG2 3.45Å; L207-V225 VanDerWaalsContact CD1-CG2 3.45Å; L207-V225 HydrophobicContact CD2-CG2 4.45Å; L207-V225 HydrophobicContact CG-CG2 3.98Å; F221-V225 HydrophobicContact CE1-CG2 4.45Å; L222-V225 HydrophobicContact CD2-CG2 4Å; L222-V225 WeakPolarHBondContact O-CB 3.2Å; L222-V225 PolarHBondContact O-N 2.95Å; L222-V225 VanDerWaalsContact O-N 3.16Å; V225-R227 PolarHBondContact O-N 3.01Å; V225-T228 PolarHBondContact O-N 2.83Å; V225-T228 PolarHBondContact O-OG1 3.02Å; V225-L231 HydrophobicContact CG1-CD1 4.29Å; V225-L231 HydrophobicContact CG1-CD2 3.52Å; V225-L270 HydrophobicContact CG1-CD1 4.26Å; V225-L270 HydrophobicContact CG1-CD2 4.3Å; V225-K273 PolarHBondContact O-NZ 3.3Å
226E69.4Low70.4Confident38 Ų3832.1 Ų32.118%0.17816%0.161CC..Hα-helixtrans-60.9-28.5170.8-71-174.5142.200112.7L222 H224 T228 K267 L270 K273L222-E226 PolarHBondContact O-N 2.94Å; H224-E226 PolarHBondContact O-N 3.07Å; E226-T228 VanDerWaalsContact C-N 3.34Å; E226-T228 PolarHBondContact O-N 3.32Å; E226-K267 WeakPolarHBondContact OE1-CD 3.36Å; E226-K267 WeakPolarHBondContact OE1-CE 3.45Å; E226-K267 IonicContact OE1-NZ 3.56Å; E226-K267 PolarHBondContact OE1-NZ 2.89Å; E226-L270 HydrophobicContact CG-CD2 3.86Å; E226-K273 PolarHBondContact O-NZ 3.02Å
227R70.9Confident72.6Confident30 Ų3030.1 Ų30.111%0.11314%0.139CC..THydrogen-bonded Turntrans-93.521-178.9-64.4173.4-173.9114.1-18.2113.8L146 L148 I149 F181 K223 H224 V225L146-R227 HydrophobicContact CD2-CG 3.99Å; L148-R227 HydrophobicContact CD2-CB 4.46Å; L148-R227 VanDerWaalsContact CD2-O 3.32Å; L148-R227 WeakPolarHBondContact CD2-O 3.39Å; I149-R227 HydrophobicContact CD1-CB 3.99Å; I149-R227 HydrophobicContact CG1-CB 4.3Å; I149-R227 PolarHBondContact N-O 2.91Å; F181-R227 VanDerWaalsContact CE2-NH1 3.31Å; K223-R227 VanDerWaalsContact C-NH1 3.3Å; K223-R227 VanDerWaalsContact O-CG 3.28Å; K223-R227 WeakPolarHBondContact O-CG 3.44Å; K223-R227 PolarHBondContact O-N 3.46Å; K223-R227 PolarHBondContact O-NH1 2.92Å; H224-R227 CarbonylContact O-C 3.55Å; H224-R227 WeakPolarHBondContact O-CA 3.49Å; H224-R227 WeakPolarHBondContact O-CB 3.33Å; H224-R227 PolarHBondContact O-N 2.82Å; V225-R227 PolarHBondContact O-N 3.01Å
228T77.6Confident74.3Confident4 Ų425.5 Ų25.53%0.02512%0.121CC..EExtended strand (participates in β ladder)trans-108.2147.1164.5660000110.7A150 L204 V225 E226 Q230 L231 K273A150-T228 WeakPolarHBondContact O-CA 3.44Å; L204-T228 HydrophobicContact CD1-CG2 4.2Å; V225-T228 PolarHBondContact O-N 2.83Å; V225-T228 PolarHBondContact O-OG1 3.02Å; E226-T228 VanDerWaalsContact C-N 3.34Å; E226-T228 PolarHBondContact O-N 3.32Å; T228-Q230 PolarHBondContact OG1-O 3.17Å; T228-L231 WeakPolarHBondContact OG1-CD2 3.33Å; T228-K273 PolarHBondContact O-NZ 2.88Å
229K78.8Confident75.8Confident81 Ų8125.2 Ų25.235%0.35212%0.118SC..EExtended strand (participates in β ladder)trans-73.7-37.6178-63.4174.3178.61560110.9L148 D151 P274 L345L148-K229 HydrophobicContact CD1-CD 4.25Å; L148-K229 VanDerWaalsContact CD1-CE 3.41Å; L148-K229 HydrophobicContact CD1-CG 3.95Å; D151-K229 HydrophobicContact CB-CD 4.47Å; D151-K229 WeakPolarHBondContact O-CA 3.33Å; D151-K229 WeakPolarHBondContact O-CB 3.32Å; D151-K229 PolarHBondContact O-N 3.03Å; D151-K229 WeakPolarHBondContact OD1-CE 3.37Å; D151-K229 IonicContact OD1-NZ 3.77Å; D151-K229 PolarHBondContact OD1-NZ 3.03Å; K229-P274 WeakPolarHBondContact O-CG 3.35Å; K229-L345 HydrophobicContact CB-CD2 4.17Å; K229-L345 HydrophobicContact CD-CD2 4.49Å
230Q85.3Confident77Confident1 Ų120.3 Ų20.31%0.00510%0.095CC..EExtended strand (participates in β ladder)trans-138.5151.4-174.1170.5153.26900111.4D151 L152 G153 T228 P274 L276 S344 L345D151-Q230 PolarHBondContact O-N 2.86Å; L152-Q230 WeakPolarHBondContact CA-O 3.26Å; L152-Q230 HydrophobicContact CD2-CB 4.47Å; L152-Q230 HydrophobicContact CD2-CG 4.04Å; L152-Q230 HydrophobicContact CG-CB 4.35Å; L152-Q230 HydrophobicContact CG-CG 4.46Å; G153-Q230 PolarHBondContact N-O 3Å; T228-Q230 PolarHBondContact OG1-O 3.17Å; Q230-P274 HydrophobicContact CB-CG 4.34Å; Q230-P274 WeakPolarHBondContact CG-O 3.4Å; Q230-L276 HydrophobicContact CG-CD1 4.17Å; Q230-S344 PolarHBondContact NE2-OG 3.42Å; Q230-L345 HydrophobicContact CB-CD2 4.12Å
231L87.8Confident78.1Confident1 Ų119.3 Ų19.31%0.0059%0.092CC..EExtended strand (participates in β ladder)trans-106.2138.3174.3-58.5-179.3000110.7V155 V225 T228 F233 L263 K273 P274 S275 L276V155-L231 HydrophobicContact CG2-CB 4.24Å; V155-L231 HydrophobicContact CG2-CD1 4.49Å; V155-L231 HydrophobicContact CG2-CD2 4.08Å; V155-L231 HydrophobicContact CG2-CG 4.49Å; V225-L231 HydrophobicContact CG1-CD1 4.29Å; V225-L231 HydrophobicContact CG1-CD2 3.52Å; T228-L231 WeakPolarHBondContact OG1-CD2 3.33Å; L231-F233 HydrophobicContact CB-CD2 4.36Å; L231-F233 HydrophobicContact CB-CE2 4.01Å; L231-F233 HydrophobicContact CD1-CE2 4.41Å; L231-L263 HydrophobicContact CD1-CD1 4.15Å; L231-L263 HydrophobicContact CD1-CD2 4.45Å; L231-K273 HydrophobicContact CD1-CB 4.32Å; L231-K273 HydrophobicContact CD1-CD 4.46Å; L231-K273 HydrophobicContact CG-CB 4.4Å; L231-K273 HydrophobicContact CG-CD 4.39Å; L231-P274 PolarHBondContact N-O 2.96Å; L231-S275 VanDerWaalsContact O-CA 3.29Å; L231-S275 WeakPolarHBondContact O-CA 2.96Å; L231-L276 PolarHBondContact O-N 2.72Å
232L90.1Very high78.6Confident0 Ų022.6 Ų22.60%011%0.11CC..EExtended strand (participates in β ladder)trans-114.5106.7174.2-164.365.6000108.3G153 L154 V155 L165 L169 L276 V278 L337 I341G153-L232 PolarHBondContact O-N 3.07Å; L154-L232 WeakPolarHBondContact CA-O 3.07Å; L154-L232 HydrophobicContact CD2-CB 3.83Å; L154-L232 HydrophobicContact CD2-CD2 3.54Å; L154-L232 HydrophobicContact CD2-CG 4.11Å; V155-L232 PolarHBondContact N-O 3.48Å; L165-L232 HydrophobicContact CD2-CD2 4.29Å; L169-L232 HydrophobicContact CD1-CD2 4.49Å; L232-L276 HydrophobicContact CD1-CB 3.47Å; L232-L276 VanDerWaalsContact CD1-CB 3.47Å; L232-L276 HydrophobicContact CD1-CD2 4.46Å; L232-V278 HydrophobicContact CD1-CG2 3.39Å; L232-V278 HydrophobicContact CD2-CG2 3.95Å; L232-V278 HydrophobicContact CG-CG2 3.58Å; L232-L337 HydrophobicContact CD1-CD1 4.29Å; L232-I341 HydrophobicContact CD2-CD1 4.21Å
233F89.4Confident78.9Confident0 Ų025 Ų250%013%0.13CC..EExtended strand (participates in β ladder)trans-79.8124.2177.5-77.4-109.4000108.9V155 L231 L258 L263 L276 L277 V278 I318 F320V155-F233 HydrophobicContact CG1-CD1 4.48Å; V155-F233 HydrophobicContact CG1-CE1 4.33Å; V155-F233 CarbonylContact O-C 3.57Å; V155-F233 VanDerWaalsContact O-CA 3.29Å; V155-F233 WeakPolarHBondContact O-CA 3.33Å; L231-F233 HydrophobicContact CB-CD2 4.36Å; L231-F233 HydrophobicContact CB-CE2 4.01Å; L231-F233 HydrophobicContact CD1-CE2 4.41Å; F233-L258 HydrophobicContact CD1-CB 4.43Å; F233-L258 HydrophobicContact CD1-CD1 4.22Å; F233-L258 HydrophobicContact CE1-CB 4.1Å; F233-L263 HydrophobicContact CE1-CD1 4.19Å; F233-L263 HydrophobicContact CE2-CD1 4.35Å; F233-L263 HydrophobicContact CZ-CD1 3.46Å; F233-L263 VanDerWaalsContact CZ-CD1 3.46Å; F233-L276 PolarHBondContact N-O 3.1Å; F233-L277 HydrophobicContact CB-CD1 3.66Å; F233-V278 WeakPolarHBondContact O-CA 3.41Å; F233-V278 WeakPolarHBondContact O-CB 3.5Å; F233-V278 PolarHBondContact O-N 3.2Å; F233-I318 HydrophobicContact CE1-CD1 4.17Å; F233-I318 HydrophobicContact CE2-CD1 4.13Å; F233-I318 HydrophobicContact CZ-CD1 3.43Å; F233-I318 VanDerWaalsContact CZ-CD1 3.43Å; F233-F320 HydrophobicContact CB-CE1 4.01Å; F233-F320 HydrophobicContact CD1-CE1 4.29Å; F233-F320 HydrophobicContact CD1-CZ 4.32Å; F233-F320 AromaticContact CD2-CE1 3.6Å; F233-F320 HydrophobicContact CD2-CE1 3.6Å; F233-F320 HydrophobicContact CD2-CZ 4.39Å; F233-F320 HydrophobicContact CE2-CE1 4.04Å; F233-F320 AromaticContact CG-CE1 3.71Å; F233-F320 HydrophobicContact CG-CE1 3.71Å; F233-F320 HydrophobicContact CG-CZ 4.17Å
234V89.6Confident79.2Confident0 Ų027.1 Ų27.10%016%0.155CC..EExtended strand (participates in β ladder)trans-113.7115.6178.9-172.50000107.5L154 V155 G156 A160 K162 L165 V278 N280L154-V234 HydrophobicContact CD2-CG2 4.31Å; V155-V234 PolarHBondContact O-N 3.37Å; G156-V234 WeakPolarHBondContact CA-O 2.93Å; A160-V234 HydrophobicContact CB-CG1 4.28Å; K162-V234 HydrophobicContact CG-CB 3.97Å; K162-V234 HydrophobicContact CG-CG1 4.3Å; K162-V234 HydrophobicContact CG-CG2 4.17Å; L165-V234 HydrophobicContact CD2-CG1 4.21Å; L165-V234 HydrophobicContact CD2-CG2 3.65Å; V234-V278 WeakPolarHBondContact CA-O 2.98Å; V234-N280 HydrophobicContact CG1-CB 4.3Å
235V89.8Confident79.3Confident2 Ų236.8 Ų36.81%0.01220%0.197CC..EExtended strand (participates in β ladder)trans-122.6148.6177.9-62.20000110.2A254 V255 L277 V278 V279 N280V235-A254 HydrophobicContact CG1-CB 4.42Å; V235-V255 HydrophobicContact CG1-CG2 3.77Å; V235-L277 HydrophobicContact CG1-CD1 4.04Å; V235-L277 HydrophobicContact CG2-CD1 3.82Å; V235-L277 HydrophobicContact CG2-CG 4.44Å; V235-V278 PolarHBondContact N-O 3.01Å; V235-V279 HydrophobicContact CG2-CB 4.48Å; V235-V279 HydrophobicContact CG2-CG2 4.07Å; V235-N280 PolarHBondContact O-N 2.9Å
236D89.4Confident79.3Confident17 Ų1738.6 Ų38.69%0.09121%0.208CC..EExtended strand (participates in β ladder)trans-84.2128.2171.8-176.1-15.8000108.9G238 G239 K281D236-G238 PolarHBondContact O-N 3.48Å; D236-G238 PolarHBondContact OD1-N 2.96Å; D236-G239 WeakPolarHBondContact CB-O 3.29Å; D236-G239 PolarHBondContact O-N 2.78Å; D236-K281 WeakPolarHBondContact OD1-CD 3.41Å; D236-K281 WeakPolarHBondContact OD2-CD 3.16Å; D236-K281 WeakPolarHBondContact OD2-CE 3.44Å; D236-K281 IonicContact OD2-NZ 3.16Å; D236-K281 PolarHBondContact OD2-NZ 2.92Å
237V88.3Confident79.5Confident6 Ų641 Ų414%0.03623%0.226CC..THydrogen-bonded Turntrans-58.5-37.2177.971.40000111.9G239 V279 N280 K281 M282 L284 A287 M290V237-G239 PolarHBondContact O-N 3.43Å; V237-G239 VanDerWaalsContact O-N 3.17Å; V237-V279 HydrophobicContact CB-CG1 3.7Å; V237-V279 HydrophobicContact CG2-CG1 3.9Å; V237-N280 PolarHBondContact N-O 2.92Å; V237-K281 HydrophobicContact CG1-CB 4.32Å; V237-K281 VanDerWaalsContact CG1-O 3.3Å; V237-K281 WeakPolarHBondContact CG1-O 2.88Å; V237-M282 HydrophobicContact CB-SD 4.34Å; V237-M282 HydrophobicContact CG2-SD 4.09Å; V237-L284 HydrophobicContact CG1-CD1 4.23Å; V237-A287 HydrophobicContact CG1-CB 3.95Å; V237-A287 HydrophobicContact CG2-CB 4.29Å; V237-M290 HydrophobicContact CG2-CB 3.8Å
238G81.6Confident79.9Confident17 Ų1746.8 Ų46.818%0.17525%0.248CC..THydrogen-bonded Turntrans-75.70.1178.300000113.4D236 R248D236-G238 PolarHBondContact O-N 3.48Å; D236-G238 PolarHBondContact OD1-N 2.96Å; G238-R248 VanDerWaalsContact O-CZ 3.24Å; G238-R248 PolarHBondContact O-NE 2.72Å; G238-R248 PolarHBondContact O-NH2 2.8Å
239G82.1Confident80Confident1 Ų148.9 Ų48.91%0.0126%0.256CS..  trans83.5-172.8-173.300000113.3D236 V237 R249D236-G239 WeakPolarHBondContact CB-O 3.29Å; D236-G239 PolarHBondContact O-N 2.78Å; V237-G239 PolarHBondContact O-N 3.43Å; V237-G239 VanDerWaalsContact O-N 3.17Å; G239-R249 CarbonylContact C-O 3.6Å; G239-R249 WeakPolarHBondContact CA-O 3.43Å
240F77.6Confident80.3Confident16 Ų1647.2 Ų47.27%0.0725%0.254CS..BIsolated β-bridgetrans-136155.2-176.483.4-75.9000112.8F157 L242 R249 A254 L257F157-F240 HydrophobicContact CB-CD2 4.12Å; F157-F240 HydrophobicContact CB-CG 4.39Å; F157-F240 AromaticContact CD1-CD2 3.92Å; F157-F240 HydrophobicContact CD1-CD2 3.92Å; F157-F240 AromaticContact CD1-CE2 3.63Å; F157-F240 HydrophobicContact CD1-CE2 3.63Å; F157-F240 HydrophobicContact CD1-CZ 4.25Å; F157-F240 AromaticContact CD2-CD1 3.98Å; F157-F240 HydrophobicContact CD2-CD1 3.98Å; F157-F240 AromaticContact CD2-CD2 3.88Å; F157-F240 HydrophobicContact CD2-CD2 3.88Å; F157-F240 AromaticContact CD2-CE1 3.91Å; F157-F240 HydrophobicContact CD2-CE1 3.91Å; F157-F240 AromaticContact CD2-CE2 3.81Å; F157-F240 HydrophobicContact CD2-CE2 3.81Å; F157-F240 AromaticContact CD2-CG 3.95Å; F157-F240 HydrophobicContact CD2-CG 3.95Å; F157-F240 AromaticContact CD2-CZ 3.81Å; F157-F240 HydrophobicContact CD2-CZ 3.81Å; F157-F240 HydrophobicContact CE1-CD2 4.34Å; F157-F240 AromaticContact CE1-CE2 3.58Å; F157-F240 HydrophobicContact CE1-CE2 3.58Å; F157-F240 AromaticContact CE1-CZ 3.87Å; F157-F240 HydrophobicContact CE1-CZ 3.87Å; F157-F240 HydrophobicContact CE2-CD1 4.17Å; F157-F240 HydrophobicContact CE2-CD2 4.29Å; F157-F240 AromaticContact CE2-CE1 3.62Å; F157-F240 HydrophobicContact CE2-CE1 3.62Å; F157-F240 AromaticContact CE2-CE2 3.75Å; F157-F240 HydrophobicContact CE2-CE2 3.75Å; F157-F240 HydrophobicContact CE2-CG 4.46Å; F157-F240 AromaticContact CE2-CZ 3.37Å; F157-F240 HydrophobicContact CE2-CZ 3.37Å; F157-F240 AromaticContact CG-CD2 3.69Å; F157-F240 HydrophobicContact CG-CD2 3.69Å; F157-F240 AromaticContact CG-CE2 3.75Å; F157-F240 HydrophobicContact CG-CE2 3.75Å; F157-F240 HydrophobicContact CG-CG 4.11Å; F157-F240 HydrophobicContact CG-CZ 4.23Å; F157-F240 HydrophobicContact CZ-CE1 4.14Å; F157-F240 AromaticContact CZ-CE2 3.65Å; F157-F240 HydrophobicContact CZ-CE2 3.65Å; F157-F240 AromaticContact CZ-CZ 3.41Å; F157-F240 HydrophobicContact CZ-CZ 3.41Å; F157-F240 VanDerWaalsContact CZ-CZ 3.41Å; F240-L242 HydrophobicContact CE2-CB 4.27Å; F240-R249 HydrophobicContact CD1-CB 3.82Å; F240-R249 HydrophobicContact CE1-CB 3.46Å; F240-R249 VanDerWaalsContact CE1-CB 3.46Å; F240-R249 HydrophobicContact CE1-CG 4.2Å; F240-R249 HydrophobicContact CZ-CB 4.09Å; F240-R249 HydrophobicContact CZ-CG 4.37Å; F240-R249 PolarHBondContact N-O 3.28Å; F240-R249 PolarHBondContact O-N 3.32Å; F240-A254 HydrophobicContact CD1-CB 3.44Å; F240-A254 VanDerWaalsContact CD1-CB 3.44Å; F240-A254 HydrophobicContact CE1-CB 3.48Å; F240-A254 VanDerWaalsContact CE1-CB 3.48Å; F240-L257 HydrophobicContact CE1-CD1 4.23Å; F240-L257 HydrophobicContact CZ-CD1 3.75Å
241Q75.7Confident80.3Confident94 Ų9447.5 Ų47.544%0.43926%0.257SS..  trans-133.3119170.9-170.6177.81900108.1A243 T246Q241-A243 WeakPolarHBondContact CG-O 3.22Å; Q241-A243 PolarHBondContact NE2-O 3.42Å; Q241-T246 WeakPolarHBondContact CG-O 3.25Å; Q241-T246 PolarHBondContact NE2-O 3.06Å
242L67Low80.1Confident84 Ų8447.7 Ų47.744%0.4426%0.258SS..SBendtrans-75.9-42.2-173.1-170.565.2000111.9F157 P158 F240 T246F157-L242 HydrophobicContact CD1-CD1 4.26Å; P158-L242 HydrophobicContact CG-CD1 4.31Å; F240-L242 HydrophobicContact CE2-CB 4.27Å; L242-T246 PolarHBondContact N-OG1 2.92Å
243A68.3Low79.7Confident52 Ų5250 Ų5043%0.4327%0.269SS..SBendtrans-142.2158.4174.300000109.9Q241 K245 T246Q241-A243 WeakPolarHBondContact CG-O 3.22Å; Q241-A243 PolarHBondContact NE2-O 3.42Å; A243-K245 PolarHBondContact O-N 3.42Å; A243-T246 HydrophobicContact CB-CG2 4.46Å; A243-T246 PolarHBondContact N-OG1 2.64Å; A243-T246 PolarHBondContact O-N 3.16Å; A243-T246 PolarHBondContact O-OG1 3.18Å
244S68.2Low79.4Confident122 Ų12250.1 Ų50.185%0.85327%0.27SS*.THydrogen-bonded Turntrans-55.6-20.7178.5-46.70000113.8
245K67.8Low79.1Confident207 Ų20750.2 Ų50.290%0.927%0.271SS*.THydrogen-bonded Turntrans-91.3-11.1178.4-63-174.9179-1780114.6A243A243-K245 PolarHBondContact O-N 3.42Å
246T70.2Confident78.7Confident38 Ų3850.5 Ų50.523%0.23327%0.272CS..SBendtrans-94.3146.1178.9550000110.8Q241 L242 A243Q241-T246 WeakPolarHBondContact CG-O 3.25Å; Q241-T246 PolarHBondContact NE2-O 3.06Å; L242-T246 PolarHBondContact N-OG1 2.92Å; A243-T246 HydrophobicContact CB-CG2 4.46Å; A243-T246 PolarHBondContact N-OG1 2.64Å; A243-T246 PolarHBondContact O-N 3.16Å; A243-T246 PolarHBondContact O-OG1 3.18Å
247P75.1Confident78.2Confident87 Ų8750.4 Ų50.457%0.56527%0.271SS*.PPolyproline II helixtrans-61.1147.1174.527-34.2000110.3R249P247-R249 PolarHBondContact O-N 2.79Å
248R77.8Confident77.7Confident152 Ų15250.1 Ų50.157%0.57427%0.269SS*.PPolyproline II helixtrans-66.9131.7169.5-170.3-178.6-17694.5-2107.7G238G238-R248 VanDerWaalsContact O-CZ 3.24Å; G238-R248 PolarHBondContact O-NE 2.72Å; G238-R248 PolarHBondContact O-NH2 2.8Å
249R81.3Confident77.5Confident48 Ų4849.3 Ų49.318%0.18126%0.261CS..BIsolated β-bridgetrans-111.2147.1-177.3-69.4-162.3-17993.2-3.2111G239 F240 P247 E253 L257 M312G239-R249 CarbonylContact C-O 3.6Å; G239-R249 WeakPolarHBondContact CA-O 3.43Å; F240-R249 HydrophobicContact CD1-CB 3.82Å; F240-R249 HydrophobicContact CE1-CB 3.46Å; F240-R249 VanDerWaalsContact CE1-CB 3.46Å; F240-R249 HydrophobicContact CE1-CG 4.2Å; F240-R249 HydrophobicContact CZ-CB 4.09Å; F240-R249 HydrophobicContact CZ-CG 4.37Å; F240-R249 PolarHBondContact N-O 3.28Å; F240-R249 PolarHBondContact O-N 3.32Å; P247-R249 PolarHBondContact O-N 2.79Å; R249-E253 WeakPolarHBondContact CA-OE2 3.39Å; R249-E253 HydrophobicContact CB-CB 4.04Å; R249-E253 WeakPolarHBondContact CB-OE2 3.48Å; R249-E253 WeakPolarHBondContact CG-OE2 3.35Å; R249-L257 VanDerWaalsContact CD-CD1 3.42Å; R249-M312 VanDerWaalsContact NE-CE 3.31Å
250S85.1Confident77Confident46 Ų4651.2 Ų51.232%0.32227%0.269SS..  trans-69.8166177.673.50000111.7F252 E253 A254S250-F252 PolarHBondContact O-N 2.89Å; S250-E253 PolarHBondContact N-OE2 3.25Å; S250-E253 VanDerWaalsContact N-OE2 3.13Å; S250-E253 PolarHBondContact O-N 3.05Å; S250-E253 WeakPolarHBondContact OG-CG 3.28Å; S250-E253 PolarHBondContact OG-N 2.86Å; S250-A254 PolarHBondContact O-N 3.43Å
251A83.6Confident76.7Confident8 Ų853.2 Ų53.27%0.06628%0.278CS..Hα-helixtrans-60.6-36.317500000112A254 V255 L294A251-A254 VanDerWaalsContact O-CB 3.27Å; A251-A254 WeakPolarHBondContact O-CB 3.35Å; A251-A254 PolarHBondContact O-N 3.49Å; A251-V255 WeakPolarHBondContact O-CG2 3.47Å; A251-V255 PolarHBondContact O-N 3.47Å; A251-V255 VanDerWaalsContact O-N 3.12Å; A251-L294 HydrophobicContact CB-CD1 4.05Å; A251-L294 HydrophobicContact CB-CD2 3.9Å; A251-L294 HydrophobicContact CB-CG 4.49Å
252F84.9Confident76.4Confident5 Ų549.3 Ų49.32%0.02226%0.26CS..Hα-helixtrans-66.7-47.1176.7178.2-107.2000112S250 A254 V255 Q256 L294 Q297 L298 P301 F304 L308S250-F252 PolarHBondContact O-N 2.89Å; F252-A254 PolarHBondContact O-N 3.27Å; F252-V255 WeakPolarHBondContact O-CB 3.41Å; F252-V255 PolarHBondContact O-N 3.41Å; F252-V255 VanDerWaalsContact O-N 3.07Å; F252-Q256 HydrophobicContact CD1-CG 4.34Å; F252-Q256 HydrophobicContact CE1-CG 4.06Å; F252-Q256 HydrophobicContact CE2-CG 4.34Å; F252-Q256 HydrophobicContact CZ-CG 4.06Å; F252-Q256 VanDerWaalsContact CZ-NE2 3.31Å; F252-Q256 WeakPolarHBondContact O-CG 3.07Å; F252-Q256 PolarHBondContact O-N 3.48Å; F252-L294 HydrophobicContact CB-CD1 3.83Å; F252-Q297 HydrophobicContact CB-CB 4.31Å; F252-Q297 HydrophobicContact CD1-CB 4.44Å; F252-Q297 HydrophobicContact CD2-CB 3.64Å; F252-Q297 HydrophobicContact CE2-CB 3.96Å; F252-Q297 VanDerWaalsContact CE2-O 3.28Å; F252-Q297 WeakPolarHBondContact CE2-O 3.4Å; F252-Q297 HydrophobicContact CG-CB 3.9Å; F252-Q297 HydrophobicContact CZ-CB 4.49Å; F252-L298 HydrophobicContact CD2-CD2 4.19Å; F252-L298 HydrophobicContact CE2-CD2 4.41Å; F252-P301 HydrophobicContact CZ-CB 4.48Å; F252-F304 HydrophobicContact CE1-CB 3.98Å; F252-F304 HydrophobicContact CZ-CB 4.21Å; F252-L308 HydrophobicContact CE1-CD1 3.83Å; F252-L308 HydrophobicContact CE1-CG 4.43Å
253E82.1Confident76.7Confident47 Ų4745.3 Ų45.322%0.2224%0.239CC..Hα-helixtrans-56.9-36.6173.6-74.6177.6168.500111.8R249 S250 Q256 L257 L308R249-E253 WeakPolarHBondContact CA-OE2 3.39Å; R249-E253 HydrophobicContact CB-CB 4.04Å; R249-E253 WeakPolarHBondContact CB-OE2 3.48Å; R249-E253 WeakPolarHBondContact CG-OE2 3.35Å; S250-E253 PolarHBondContact N-OE2 3.25Å; S250-E253 VanDerWaalsContact N-OE2 3.13Å; S250-E253 PolarHBondContact O-N 3.05Å; S250-E253 WeakPolarHBondContact OG-CG 3.28Å; S250-E253 PolarHBondContact OG-N 2.86Å; E253-Q256 PolarHBondContact O-N 2.91Å; E253-L257 WeakPolarHBondContact O-CB 3.4Å; E253-L257 WeakPolarHBondContact O-CG 3.39Å; E253-L257 PolarHBondContact O-N 2.61Å; E253-L308 HydrophobicContact CG-CD2 3.52Å
254A81.6Confident77Confident4 Ų443.9 Ų43.93%0.03322%0.223CC..Hα-helixtrans-60.9-47.8175.300000111.8F157 V235 F240 S250 A251 F252 Q256 L257 L258F157-A254 HydrophobicContact CD2-CB 4.02Å; F157-A254 HydrophobicContact CE2-CB 3.94Å; V235-A254 HydrophobicContact CG1-CB 4.42Å; F240-A254 HydrophobicContact CD1-CB 3.44Å; F240-A254 VanDerWaalsContact CD1-CB 3.44Å; F240-A254 HydrophobicContact CE1-CB 3.48Å; F240-A254 VanDerWaalsContact CE1-CB 3.48Å; S250-A254 PolarHBondContact O-N 3.43Å; A251-A254 VanDerWaalsContact O-CB 3.27Å; A251-A254 WeakPolarHBondContact O-CB 3.35Å; A251-A254 PolarHBondContact O-N 3.49Å; F252-A254 PolarHBondContact O-N 3.27Å; A254-Q256 VanDerWaalsContact C-N 3.34Å; A254-Q256 PolarHBondContact O-N 3.33Å; A254-L257 PolarHBondContact O-N 3.35Å; A254-L258 WeakPolarHBondContact O-CB 3.28Å; A254-L258 VanDerWaalsContact O-CG 3.23Å; A254-L258 WeakPolarHBondContact O-CG 3.11Å; A254-L258 PolarHBondContact O-N 2.85Å
255V83.3Confident77.1Confident2 Ų243.3 Ų43.31%0.01221%0.21CC..Hα-helixtrans-60.1-45.3177.1172.80000111.2V235 A251 F252 L258 T259 L277 L298 F320V235-V255 HydrophobicContact CG1-CG2 3.77Å; A251-V255 WeakPolarHBondContact O-CG2 3.47Å; A251-V255 PolarHBondContact O-N 3.47Å; A251-V255 VanDerWaalsContact O-N 3.12Å; F252-V255 WeakPolarHBondContact O-CB 3.41Å; F252-V255 PolarHBondContact O-N 3.41Å; F252-V255 VanDerWaalsContact O-N 3.07Å; V255-L258 PolarHBondContact O-N 2.91Å; V255-T259 WeakPolarHBondContact O-CB 3.38Å; V255-T259 PolarHBondContact O-N 3.23Å; V255-T259 PolarHBondContact O-OG1 3.33Å; V255-L277 HydrophobicContact CG2-CD1 3.92Å; V255-L277 HydrophobicContact CG2-CD2 4.4Å; V255-L298 HydrophobicContact CG1-CD2 4.46Å; V255-F320 HydrophobicContact CG1-CE2 3.65Å; V255-F320 HydrophobicContact CG1-CZ 3.66Å
256Q82.9Confident77Confident7 Ų735.5 Ų35.53%0.03318%0.175CC..Hα-helixtrans-66.4-41.9-178.6-61.4-57.6-15.100111.9F252 E253 A254 T259 K260 L308 P314F252-Q256 HydrophobicContact CD1-CG 4.34Å; F252-Q256 HydrophobicContact CE1-CG 4.06Å; F252-Q256 HydrophobicContact CE2-CG 4.34Å; F252-Q256 HydrophobicContact CZ-CG 4.06Å; F252-Q256 VanDerWaalsContact CZ-NE2 3.31Å; F252-Q256 WeakPolarHBondContact O-CG 3.07Å; F252-Q256 PolarHBondContact O-N 3.48Å; E253-Q256 PolarHBondContact O-N 2.91Å; A254-Q256 VanDerWaalsContact C-N 3.34Å; A254-Q256 PolarHBondContact O-N 3.33Å; Q256-T259 PolarHBondContact O-N 2.86Å; Q256-K260 WeakPolarHBondContact O-CB 3.4Å; Q256-K260 PolarHBondContact O-N 3.44Å; Q256-L308 HydrophobicContact CB-CD1 4.27Å; Q256-L308 HydrophobicContact CG-CD1 3.86Å; Q256-P314 VanDerWaalsContact OE1-CD 3.32Å; Q256-P314 VanDerWaalsContact OE1-CG 3.25Å
257L79.1Confident76.9Confident15 Ų1537 Ų378%0.07918%0.178CC..Hα-helixtrans-62-46.5175.1-80.7170.7000112.6F157 F240 R249 E253 A254 T259 K260 K261 M312F157-L257 HydrophobicContact CE2-CB 4.38Å; F157-L257 HydrophobicContact CZ-CB 4.01Å; F157-L257 HydrophobicContact CZ-CD1 4.48Å; F240-L257 HydrophobicContact CE1-CD1 4.23Å; F240-L257 HydrophobicContact CZ-CD1 3.75Å; R249-L257 VanDerWaalsContact CD-CD1 3.42Å; E253-L257 WeakPolarHBondContact O-CB 3.4Å; E253-L257 WeakPolarHBondContact O-CG 3.39Å; E253-L257 PolarHBondContact O-N 2.61Å; A254-L257 PolarHBondContact O-N 3.35Å; L257-T259 VanDerWaalsContact C-N 3.27Å; L257-T259 PolarHBondContact O-N 3.45Å; L257-K260 PolarHBondContact O-N 2.85Å; L257-K261 HydrophobicContact CD2-CG 3.99Å; L257-K261 WeakPolarHBondContact O-CB 3.31Å; L257-K261 PolarHBondContact O-N 3.46Å; L257-M312 HydrophobicContact CD1-CE 4.03Å; L257-M312 HydrophobicContact CD1-SD 3.89Å; L257-M312 HydrophobicContact CD2-CB 4.33Å; L257-M312 HydrophobicContact CD2-CE 3.95Å; L257-M312 HydrophobicContact CD2-CG 3.61Å; L257-M312 HydrophobicContact CD2-SD 3.74Å; L257-M312 HydrophobicContact CG-CE 4.29Å; L257-M312 HydrophobicContact CG-CG 4.12Å; L257-M312 HydrophobicContact CG-SD 3.71Å
258L77.7Confident76.7Confident0 Ų038 Ų380%018%0.175CC..Iπ-helixtrans-60-41.2176.2-70.5168.7000111V155 F157 I208 F233 A254 V255 E262 L263V155-L258 HydrophobicContact CG1-CD2 4.42Å; F157-L258 HydrophobicContact CD2-CD1 4.17Å; F157-L258 HydrophobicContact CD2-CD2 4.16Å; F157-L258 HydrophobicContact CD2-CG 4.09Å; F157-L258 HydrophobicContact CE2-CD1 4.13Å; F157-L258 HydrophobicContact CE2-CD2 3.89Å; F157-L258 HydrophobicContact CE2-CG 3.63Å; F157-L258 HydrophobicContact CZ-CD2 4.07Å; F157-L258 HydrophobicContact CZ-CG 4.15Å; I208-L258 HydrophobicContact CG2-CD2 3.47Å; I208-L258 VanDerWaalsContact CG2-CD2 3.47Å; F233-L258 HydrophobicContact CD1-CB 4.43Å; F233-L258 HydrophobicContact CD1-CD1 4.22Å; F233-L258 HydrophobicContact CE1-CB 4.1Å; A254-L258 WeakPolarHBondContact O-CB 3.28Å; A254-L258 VanDerWaalsContact O-CG 3.23Å; A254-L258 WeakPolarHBondContact O-CG 3.11Å; A254-L258 PolarHBondContact O-N 2.85Å; V255-L258 PolarHBondContact O-N 2.91Å; L258-E262 WeakPolarHBondContact O-CB 2.92Å; L258-E262 PolarHBondContact O-N 3.31Å; L258-L263 PolarHBondContact O-N 3.41Å
259T75.8Confident76.3Confident1 Ų134.8 Ų34.81%0.00617%0.167CC..Iπ-helixtrans-65.4-53.7179.3-590000111.3V255 Q256 L257 L263 E264 V271 P314 I318V255-T259 WeakPolarHBondContact O-CB 3.38Å; V255-T259 PolarHBondContact O-N 3.23Å; V255-T259 PolarHBondContact O-OG1 3.33Å; Q256-T259 PolarHBondContact O-N 2.86Å; L257-T259 VanDerWaalsContact C-N 3.27Å; L257-T259 PolarHBondContact O-N 3.45Å; T259-L263 PolarHBondContact O-N 2.98Å; T259-E264 WeakPolarHBondContact O-CB 3.33Å; T259-E264 PolarHBondContact O-N 2.92Å; T259-V271 HydrophobicContact CG2-CG1 4.28Å; T259-P314 HydrophobicContact CG2-CB 3.89Å; T259-P314 HydrophobicContact CG2-CG 4.15Å; T259-I318 HydrophobicContact CG2-CD1 3.69Å; T259-I318 HydrophobicContact CG2-CG1 3.64Å; T259-I318 WeakPolarHBondContact OG1-CD1 3.35Å
260K73.3Confident75.9Confident40 Ų4032.7 Ų32.717%0.17416%0.159CC..Iπ-helixtrans-74.6-58.1-174.2-176.6178-177.4156.80113Q256 L257 E262 E264 L265 D310 D311 M312 I313 P314Q256-K260 WeakPolarHBondContact O-CB 3.4Å; Q256-K260 PolarHBondContact O-N 3.44Å; L257-K260 PolarHBondContact O-N 2.85Å; K260-E262 PolarHBondContact O-N 3.46Å; K260-E264 WeakPolarHBondContact O-CB 3.28Å; K260-L265 WeakPolarHBondContact O-CG 3.02Å; K260-L265 PolarHBondContact O-N 3.36Å; K260-L265 VanDerWaalsContact O-N 3.15Å; K260-D310 PolarHBondContact NZ-O 2.87Å; K260-D311 WeakPolarHBondContact CD-O 3.04Å; K260-D311 WeakPolarHBondContact CE-O 3.49Å; K260-D311 VanDerWaalsContact NZ-C 3.25Å; K260-D311 PolarHBondContact NZ-O 2.95Å; K260-M312 WeakPolarHBondContact CD-O 3.26Å; K260-I313 VanDerWaalsContact CD-C 3.5Å; K260-I313 VanDerWaalsContact CD-O 3.26Å; K260-I313 WeakPolarHBondContact CD-O 3.34Å; K260-I313 VanDerWaalsContact CE-O 3.22Å; K260-I313 WeakPolarHBondContact CE-O 3.47Å; K260-I313 VanDerWaalsContact NZ-N 3.14Å; K260-I313 PolarHBondContact NZ-O 3.49Å; K260-P314 HydrophobicContact CB-CB 4.01Å
261K69.3Low75.6Confident59 Ų5931 Ų3126%0.25715%0.147SC..Iπ-helixtrans-75-27.2-168.1-66.1-96.7-176.91710112.3L257 L265 D311L257-K261 HydrophobicContact CD2-CG 3.99Å; L257-K261 WeakPolarHBondContact O-CB 3.31Å; L257-K261 PolarHBondContact O-N 3.46Å; K261-L265 HydrophobicContact CD-CD1 4.5Å; K261-L265 WeakPolarHBondContact O-CD1 3.16Å; K261-D311 WeakPolarHBondContact CE-O 3.49Å; K261-D311 WeakPolarHBondContact CE-OD2 3.49Å; K261-D311 IonicContact NZ-OD2 3.23Å; K261-D311 PolarHBondContact NZ-OD2 3.48Å
262E69.4Low75.3Confident12 Ų1232.1 Ų32.16%0.05615%0.154CC..Iπ-helixtrans-112.3-42.2-169.2-61.3-65.9147.300112.6L207 A211 H212 L258 K260 Y266L207-E262 HydrophobicContact CD2-CB 4.32Å; L207-E262 WeakPolarHBondContact O-CB 3.38Å; L207-E262 WeakPolarHBondContact O-CG 3.46Å; A211-E262 WeakPolarHBondContact CB-OE2 3.15Å; H212-E262 IonicContact CE1-OE1 3.92Å; H212-E262 IonicContact ND1-OE1 2.84Å; H212-E262 PolarHBondContact ND1-OE1 2.96Å; H212-E262 VanDerWaalsContact ND1-OE1 3.14Å; L258-E262 WeakPolarHBondContact O-CB 2.92Å; L258-E262 PolarHBondContact O-N 3.31Å; K260-E262 PolarHBondContact O-N 3.46Å; E262-Y266 WeakPolarHBondContact O-CB 3.43Å
263L73.8Confident75Confident0 Ų033.8 Ų33.80%016%0.162CC..Iπ-helixtrans-89.2-51.3178-60.3-178.6000112.6L207 L231 F233 L258 T259 Y266 K267 L270 V271 I318L207-L263 HydrophobicContact CD2-CD2 3.78Å; L231-L263 HydrophobicContact CD1-CD1 4.15Å; L231-L263 HydrophobicContact CD1-CD2 4.45Å; F233-L263 HydrophobicContact CE1-CD1 4.19Å; F233-L263 HydrophobicContact CE2-CD1 4.35Å; F233-L263 HydrophobicContact CZ-CD1 3.46Å; F233-L263 VanDerWaalsContact CZ-CD1 3.46Å; L258-L263 PolarHBondContact O-N 3.41Å; T259-L263 PolarHBondContact O-N 2.98Å; L263-Y266 PolarHBondContact O-N 2.93Å; L263-K267 CarbonylContact O-C 3.59Å; L263-K267 PolarHBondContact O-N 3.06Å; L263-K267 VanDerWaalsContact O-O 3.05Å; L263-L270 HydrophobicContact CB-CB 4.27Å; L263-L270 HydrophobicContact CD2-CB 4.08Å; L263-L270 HydrophobicContact CD2-CD1 3.98Å; L263-V271 HydrophobicContact CB-CG2 4.04Å; L263-I318 HydrophobicContact CD1-CD1 3.9Å
264E74.8Confident75Confident22 Ų2232.5 Ų32.510%0.10316%0.158CC..Iπ-helixtrans-68.2-47.8-174.9-164.1-169.2151.100112.4T259 K260 Y266 K267 E268 V271 P314 K315T259-E264 WeakPolarHBondContact O-CB 3.33Å; T259-E264 PolarHBondContact O-N 2.92Å; K260-E264 WeakPolarHBondContact O-CB 3.28Å; E264-Y266 PolarHBondContact O-N 3.49Å; E264-Y266 VanDerWaalsContact O-N 3.16Å; E264-K267 PolarHBondContact O-N 3.3Å; E264-E268 HydrophobicContact CG-CG 4.37Å; E264-V271 HydrophobicContact CB-CG2 4.05Å; E264-V271 HydrophobicContact CG-CG2 4.47Å; E264-P314 VanDerWaalsContact OE2-CA 3.23Å; E264-P314 WeakPolarHBondContact OE2-CA 3.15Å; E264-P314 WeakPolarHBondContact OE2-CB 3.37Å; E264-K315 WeakPolarHBondContact OE1-CB 3.33Å; E264-K315 WeakPolarHBondContact OE1-CD 3.44Å; E264-K315 WeakPolarHBondContact OE1-CE 3.47Å; E264-K315 WeakPolarHBondContact OE1-CG 3Å; E264-K315 PolarHBondContact OE1-N 3.29Å; E264-K315 PolarHBondContact OE2-N 2.83Å
265L69.9Low75.3Confident109 Ų10932.5 Ų32.557%0.57116%0.157SC*.THydrogen-bonded Turntrans-59.6-25.9175.8-74.3-175.7000113K260 K261K260-L265 WeakPolarHBondContact O-CG 3.02Å; K260-L265 PolarHBondContact O-N 3.36Å; K260-L265 VanDerWaalsContact O-N 3.15Å; K261-L265 HydrophobicContact CD-CD1 4.5Å; K261-L265 WeakPolarHBondContact O-CD1 3.16Å
266Y66.9Low75.7Confident44 Ų4432.4 Ų32.417%0.17316%0.156CC..THydrogen-bonded Turntrans-82.3-57.7176.2-177.4-104.2000112.4H219 L222 K223 E262 L263 E264 L270H219-Y266 HydrophobicContact CB-CE2 4.5Å; H219-Y266 AromaticContact CE1-CE2 3.51Å; H219-Y266 AromaticContact CG-CE2 3.9Å; H219-Y266 AromaticContact ND1-CE2 3.1Å; H219-Y266 WeakPolarHBondContact ND1-CE2 3.4Å; H219-Y266 AromaticContact ND1-CZ 3.65Å; H219-Y266 PolarHBondContact ND1-OH 3.03Å; H219-Y266 PolarHBondContact O-OH 3Å; L222-Y266 HydrophobicContact CB-CD1 3.74Å; L222-Y266 HydrophobicContact CB-CD2 3.76Å; L222-Y266 HydrophobicContact CB-CE1 3.43Å; L222-Y266 VanDerWaalsContact CB-CE1 3.43Å; L222-Y266 HydrophobicContact CB-CE2 3.39Å; L222-Y266 HydrophobicContact CB-CG 3.89Å; L222-Y266 HydrophobicContact CD1-CD1 4.14Å; L222-Y266 HydrophobicContact CD1-CD2 3.11Å; L222-Y266 HydrophobicContact CD1-CE2 3.56Å; L222-Y266 HydrophobicContact CD1-CG 3.41Å; L222-Y266 VanDerWaalsContact CD1-CG 3.41Å; L222-Y266 HydrophobicContact CG-CD1 4.41Å; L222-Y266 HydrophobicContact CG-CD2 4.01Å; L222-Y266 HydrophobicContact CG-CE2 4.08Å; L222-Y266 HydrophobicContact CG-CG 4.15Å; K223-Y266 PolarHBondContact N-OH 3.04Å; E262-Y266 WeakPolarHBondContact O-CB 3.43Å; L263-Y266 PolarHBondContact O-N 2.93Å; E264-Y266 PolarHBondContact O-N 3.49Å; E264-Y266 VanDerWaalsContact O-N 3.16Å; Y266-L270 HydrophobicContact CD1-CD1 3.59Å; Y266-L270 HydrophobicContact CE1-CD1 4.16Å
267K67.5Low76.1Confident68 Ų6832 Ų3230%0.29616%0.155SC..  trans-163.4118.9-177.8-161.3-177.8-166.6-163.70110.2E226 L263 E264 E269 L270E226-K267 WeakPolarHBondContact OE1-CD 3.36Å; E226-K267 WeakPolarHBondContact OE1-CE 3.45Å; E226-K267 IonicContact OE1-NZ 3.56Å; E226-K267 PolarHBondContact OE1-NZ 2.89Å; L263-K267 CarbonylContact O-C 3.59Å; L263-K267 PolarHBondContact O-N 3.06Å; L263-K267 VanDerWaalsContact O-O 3.05Å; E264-K267 PolarHBondContact O-N 3.3Å; K267-E269 HydrophobicContact CD-CB 4.09Å; K267-E269 HydrophobicContact CD-CG 4.41Å; K267-E269 WeakPolarHBondContact CE-OE2 3.22Å; K267-E269 HydrophobicContact CG-CB 4.08Å; K267-E269 HydrophobicContact CG-CG 4.31Å; K267-E269 IonicContact NZ-OE2 3.55Å; K267-E269 PolarHBondContact NZ-OE2 3.1Å; K267-E269 PolarHBondContact O-N 2.9Å; K267-L270 HydrophobicContact CB-CG 4.39Å; K267-L270 PolarHBondContact O-N 2.88Å
268E71Confident76.7Confident108 Ų10831.3 Ų31.351%0.50515%0.151SC..Hα-helixtrans-54.7-27.3177.4-63.5-177.9171.600112.9E264 L270 V271 K315E264-E268 HydrophobicContact CG-CG 4.37Å; E268-L270 VanDerWaalsContact C-N 3.28Å; E268-L270 PolarHBondContact O-N 2.8Å; E268-V271 WeakPolarHBondContact O-CB 3.18Å; E268-V271 PolarHBondContact O-N 3.1Å; E268-K315 IonicContact OE1-NZ 3.97Å
269E69.8Low77.5Confident86 Ų8631.3 Ų31.340%0.40215%0.151SC..Hα-helixtrans-64.1-26.9175.8-62-176.8173.100113.7K267 S272K267-E269 HydrophobicContact CD-CB 4.09Å; K267-E269 HydrophobicContact CD-CG 4.41Å; K267-E269 WeakPolarHBondContact CE-OE2 3.22Å; K267-E269 HydrophobicContact CG-CB 4.08Å; K267-E269 HydrophobicContact CG-CG 4.31Å; K267-E269 IonicContact NZ-OE2 3.55Å; K267-E269 PolarHBondContact NZ-OE2 3.1Å; K267-E269 PolarHBondContact O-N 2.9Å; E269-S272 PolarHBondContact O-N 2.97Å; E269-S272 PolarHBondContact O-OG 3.34Å
270L73.4Confident78.2Confident3 Ų331.5 Ų31.52%0.01615%0.152CC..Hα-helixtrans-71.8-32.9179-70.7-176.8000112.5V225 E226 L263 Y266 K267 E268 S272 K273V225-L270 HydrophobicContact CG1-CD1 4.26Å; V225-L270 HydrophobicContact CG1-CD2 4.3Å; E226-L270 HydrophobicContact CG-CD2 3.86Å; L263-L270 HydrophobicContact CB-CB 4.27Å; L263-L270 HydrophobicContact CD2-CB 4.08Å; L263-L270 HydrophobicContact CD2-CD1 3.98Å; Y266-L270 HydrophobicContact CD1-CD1 3.59Å; Y266-L270 HydrophobicContact CE1-CD1 4.16Å; K267-L270 HydrophobicContact CB-CG 4.39Å; K267-L270 PolarHBondContact O-N 2.88Å; E268-L270 VanDerWaalsContact C-N 3.28Å; E268-L270 PolarHBondContact O-N 2.8Å; L270-S272 PolarHBondContact O-N 3.11Å; L270-K273 HydrophobicContact CD2-CD 3.96Å; L270-K273 WeakPolarHBondContact O-CB 3.15Å; L270-K273 PolarHBondContact O-N 2.9Å; L270-K273 VanDerWaalsContact O-N 3.13Å
271V77.2Confident79Confident12 Ų1232.5 Ų32.57%0.07316%0.156CC..Hα-helixtrans-60.5-29.4175.4-178.20000110.8T259 L263 E264 E268 N316 I318T259-V271 HydrophobicContact CG2-CG1 4.28Å; L263-V271 HydrophobicContact CB-CG2 4.04Å; E264-V271 HydrophobicContact CB-CG2 4.05Å; E264-V271 HydrophobicContact CG-CG2 4.47Å; E268-V271 WeakPolarHBondContact O-CB 3.18Å; E268-V271 PolarHBondContact O-N 3.1Å; V271-N316 HydrophobicContact CG1-CB 3.99Å; V271-N316 WeakPolarHBondContact CG1-O 3.46Å; V271-I318 HydrophobicContact CB-CG1 4.47Å; V271-I318 HydrophobicContact CG1-CD1 4.26Å; V271-I318 HydrophobicContact CG1-CG1 3.57Å
272S77.3Confident80.1Confident31 Ų3130.8 Ų30.822%0.21715%0.149CC..THydrogen-bonded Turntrans-84.1-7.9179.266.90000116.7Y12 E269 L270Y12-S272 WeakPolarHBondContact CD1-OG 3.12Å; Y12-S272 VanDerWaalsContact CE1-OG 3.28Å; Y12-S272 WeakPolarHBondContact CE1-OG 3Å; E269-S272 PolarHBondContact O-N 2.97Å; E269-S272 PolarHBondContact O-OG 3.34Å; L270-S272 PolarHBondContact O-N 3.11Å
273K78.2Confident81Confident39 Ų3933.7 Ų33.717%0.1717%0.165CC..SBendtrans-64147.6178.5-77.4-168.3170.3-1620110.1V225 E226 T228 L231 L270 S275V225-K273 PolarHBondContact O-NZ 3.3Å; E226-K273 PolarHBondContact O-NZ 3.02Å; T228-K273 PolarHBondContact O-NZ 2.88Å; L231-K273 HydrophobicContact CD1-CB 4.32Å; L231-K273 HydrophobicContact CD1-CD 4.46Å; L231-K273 HydrophobicContact CG-CB 4.4Å; L231-K273 HydrophobicContact CG-CD 4.39Å; L270-K273 HydrophobicContact CD2-CD 3.96Å; L270-K273 WeakPolarHBondContact O-CB 3.15Å; L270-K273 PolarHBondContact O-N 2.9Å; L270-K273 VanDerWaalsContact O-N 3.13Å; K273-S275 PolarHBondContact O-N 2.91Å
274P83.4Confident81.7Confident21 Ų2137 Ų3714%0.13618%0.183CC..  trans-58.9128.1173.727.3-34.3000108.8K229 Q230 L231 Y348K229-P274 WeakPolarHBondContact O-CG 3.35Å; Q230-P274 HydrophobicContact CB-CG 4.34Å; Q230-P274 WeakPolarHBondContact CG-O 3.4Å; L231-P274 PolarHBondContact N-O 2.96Å; P274-Y348 HydrophobicContact CG-CD2 4.01Å; P274-Y348 HydrophobicContact CG-CE2 4Å
275S87.2Confident81.9Confident3 Ų341.2 Ų41.22%0.02121%0.212CC..EExtended strand (participates in β ladder)trans-128.3142.1-176.458.40000111.2L231 K273 I318 F320 R321L231-S275 VanDerWaalsContact O-CA 3.29Å; L231-S275 WeakPolarHBondContact O-CA 2.96Å; K273-S275 PolarHBondContact O-N 2.91Å; S275-I318 WeakPolarHBondContact OG-CG2 3.45Å; S275-F320 WeakPolarHBondContact OG-CD1 3.35Å; S275-R321 PolarHBondContact O-N 3.24Å
276L90.9Very high82.7Confident0 Ų042.1 Ų42.10%021%0.213CC..EExtended strand (participates in β ladder)trans-113.5143.8166.7-82.779000108Q230 L231 L232 F233 H322 C340 I341Q230-L276 HydrophobicContact CG-CD1 4.17Å; L231-L276 PolarHBondContact O-N 2.72Å; L232-L276 HydrophobicContact CD1-CB 3.47Å; L232-L276 VanDerWaalsContact CD1-CB 3.47Å; L232-L276 HydrophobicContact CD1-CD2 4.46Å; F233-L276 PolarHBondContact N-O 3.1Å; L276-H322 HydrophobicContact CD2-CB 4.2Å; L276-H322 HydrophobicContact CG-CB 4.23Å; L276-C340 HydrophobicContact CD2-CB 4.01Å; L276-I341 HydrophobicContact CD2-CG1 4.36Å
277L92Very high83.7Confident0 Ų040.1 Ų40.10%021%0.206CC..EExtended strand (participates in β ladder)trans-101.9130.9172.4-176.263.4000109.4F233 V235 V255 V279 L298 F320 H322 V323 V324F233-L277 HydrophobicContact CB-CD1 3.66Å; V235-L277 HydrophobicContact CG1-CD1 4.04Å; V235-L277 HydrophobicContact CG2-CD1 3.82Å; V235-L277 HydrophobicContact CG2-CG 4.44Å; V255-L277 HydrophobicContact CG2-CD1 3.92Å; V255-L277 HydrophobicContact CG2-CD2 4.4Å; L277-V279 HydrophobicContact CD2-CG2 4.41Å; L277-V279 HydrophobicContact CG-CG2 4.3Å; L277-L298 HydrophobicContact CD2-CD1 3.37Å; L277-F320 HydrophobicContact CB-CB 4.17Å; L277-F320 HydrophobicContact CB-CD1 3.67Å; L277-F320 HydrophobicContact CB-CD2 4.1Å; L277-F320 HydrophobicContact CB-CE1 4.06Å; L277-F320 HydrophobicContact CB-CE2 4.46Å; L277-F320 HydrophobicContact CB-CG 3.69Å; L277-F320 HydrophobicContact CB-CZ 4.44Å; L277-F320 HydrophobicContact CD1-CE1 4.44Å; L277-F320 HydrophobicContact CD1-CZ 4.34Å; L277-F320 HydrophobicContact CD2-CD2 4.23Å; L277-F320 HydrophobicContact CD2-CE2 4.3Å; L277-H322 PolarHBondContact N-O 3.31Å; L277-V323 HydrophobicContact CB-CG1 4.5Å; L277-V323 HydrophobicContact CB-CG2 4.24Å; L277-V323 HydrophobicContact CD2-CG1 4.05Å; L277-V323 HydrophobicContact CD2-CG2 4.2Å; L277-V323 HydrophobicContact CG-CG1 4.4Å; L277-V323 CarbonylContact O-C 3.59Å; L277-V323 WeakPolarHBondContact O-CA 3.48Å; L277-V324 PolarHBondContact O-N 2.78Å
278V93Very high84.7Confident0 Ų042.7 Ų42.70%022%0.223CC..EExtended strand (participates in β ladder)trans-118.5116.2177.4-179.90000107.5L165 L232 F233 V234 V235 V324 I326 L337L165-V278 HydrophobicContact CD2-CB 4.47Å; L165-V278 HydrophobicContact CD2-CG1 3.87Å; L232-V278 HydrophobicContact CD1-CG2 3.39Å; L232-V278 HydrophobicContact CD2-CG2 3.95Å; L232-V278 HydrophobicContact CG-CG2 3.58Å; F233-V278 WeakPolarHBondContact O-CA 3.41Å; F233-V278 WeakPolarHBondContact O-CB 3.5Å; F233-V278 PolarHBondContact O-N 3.2Å; V234-V278 WeakPolarHBondContact CA-O 2.98Å; V235-V278 PolarHBondContact N-O 3.01Å; V278-V324 WeakPolarHBondContact CA-O 3.39Å; V278-I326 HydrophobicContact CG1-CB 4.46Å; V278-I326 HydrophobicContact CG1-CD1 3.18Å; V278-I326 HydrophobicContact CG1-CG1 3.43Å; V278-I326 VanDerWaalsContact CG1-CG1 3.43Å; V278-I326 HydrophobicContact CG1-CG2 4.21Å; V278-L337 HydrophobicContact CG1-CD2 4.12Å; V278-L337 HydrophobicContact CG2-CD1 3.71Å; V278-L337 HydrophobicContact CG2-CD2 3.93Å
279V92.9Very high85.6Confident0 Ų043.9 Ų43.90%023%0.229CC..EExtended strand (participates in β ladder)trans-98.3107.8178.6-176.40000107.2V235 V237 L277 M282 L291 L294 V323 V324 P325 I326V235-V279 HydrophobicContact CG2-CB 4.48Å; V235-V279 HydrophobicContact CG2-CG2 4.07Å; V237-V279 HydrophobicContact CB-CG1 3.7Å; V237-V279 HydrophobicContact CG2-CG1 3.9Å; L277-V279 HydrophobicContact CD2-CG2 4.41Å; L277-V279 HydrophobicContact CG-CG2 4.3Å; V279-M282 HydrophobicContact CG1-SD 4.24Å; V279-L291 HydrophobicContact CB-CD1 4.04Å; V279-L291 HydrophobicContact CG1-CD1 3.99Å; V279-L291 HydrophobicContact CG2-CD1 3.91Å; V279-L294 HydrophobicContact CG1-CD2 4.34Å; V279-L294 HydrophobicContact CG2-CD2 3.67Å; V279-V323 HydrophobicContact CG2-CG1 3.93Å; V279-V324 PolarHBondContact N-O 2.97Å; V279-P325 CarbonylContact O-C 3.48Å; V279-P325 WeakPolarHBondContact O-CA 3.35Å; V279-I326 PolarHBondContact O-N 2.74Å
280N91.3Very high86.4Confident5 Ų542.8 Ų42.83%0.02722%0.224CC..EExtended strand (participates in β ladder)trans-97.4165.2-174.6-165.923.3000111.7A160 V234 V235 V237 I326 A328A160-N280 PolarHBondContact O-ND2 2.84Å; V234-N280 HydrophobicContact CG1-CB 4.3Å; V235-N280 PolarHBondContact O-N 2.9Å; V237-N280 PolarHBondContact N-O 2.92Å; N280-I326 CarbonylContact C-O 3.53Å; N280-I326 WeakPolarHBondContact CA-O 3.26Å; N280-I326 HydrophobicContact CB-CD1 4.38Å; N280-I326 HydrophobicContact CB-CG1 4.15Å; N280-A328 PolarHBondContact OD1-N 3.24Å
281K90Very high87.2Confident60 Ų6043 Ų4326%0.26123%0.225SC..  trans68.536.4-177.4-49.5-167.7-166.6165.90114.9N159 D236 V237 D283 L284 I326N159-K281 WeakPolarHBondContact O-CE 3.14Å; N159-K281 PolarHBondContact O-NZ 2.92Å; D236-K281 WeakPolarHBondContact OD1-CD 3.41Å; D236-K281 WeakPolarHBondContact OD2-CD 3.16Å; D236-K281 WeakPolarHBondContact OD2-CE 3.44Å; D236-K281 IonicContact OD2-NZ 3.16Å; D236-K281 PolarHBondContact OD2-NZ 2.92Å; V237-K281 HydrophobicContact CG1-CB 4.32Å; V237-K281 VanDerWaalsContact CG1-O 3.3Å; V237-K281 WeakPolarHBondContact CG1-O 2.88Å; K281-D283 VanDerWaalsContact CA-OD1 3.29Å; K281-D283 WeakPolarHBondContact CA-OD1 3.34Å; K281-D283 PolarHBondContact O-N 3.16Å; K281-L284 HydrophobicContact CB-CD1 4.09Å; K281-L284 HydrophobicContact CB-CG 4.34Å; K281-L284 WeakPolarHBondContact O-CG 3.47Å; K281-L284 PolarHBondContact O-N 2.8Å; K281-I326 PolarHBondContact N-O 3.47Å
282M91.4Very high87.7Confident23 Ų2347.5 Ų47.511%0.11325%0.246CC..THydrogen-bonded Turntrans-65.2-1.2173-65.8-62.9-55.900114.4V237 V279 L284 A287 D288 L291 P325 I326 F332V237-M282 HydrophobicContact CB-SD 4.34Å; V237-M282 HydrophobicContact CG2-SD 4.09Å; V279-M282 HydrophobicContact CG1-SD 4.24Å; M282-L284 VanDerWaalsContact C-N 3.28Å; M282-A287 HydrophobicContact CE-CB 3.84Å; M282-A287 HydrophobicContact SD-CB 4.01Å; M282-D288 WeakPolarHBondContact CE-OD1 3.33Å; M282-L291 HydrophobicContact CE-CB 4.22Å; M282-L291 HydrophobicContact CE-CD2 3.83Å; M282-L291 HydrophobicContact SD-CB 4.4Å; M282-L291 HydrophobicContact SD-CD2 4.31Å; M282-P325 HydrophobicContact CE-CB 4.23Å; M282-P325 HydrophobicContact CG-CB 3.84Å; M282-P325 HydrophobicContact SD-CB 3.98Å; M282-I326 WeakPolarHBondContact CB-O 3.26Å; M282-I326 WeakPolarHBondContact CG-O 3.41Å; M282-I326 PolarHBondContact N-O 3.39Å; M282-F332 HydrophobicContact CB-CD1 4.44Å
283D89.1Confident88.2Confident73 Ų7351.4 Ų51.439%0.3926%0.26SS..THydrogen-bonded Turntrans-75.7-11.2171.149.4-72.4000113.9K281 S327 T330K281-D283 VanDerWaalsContact CA-OD1 3.29Å; K281-D283 WeakPolarHBondContact CA-OD1 3.34Å; K281-D283 PolarHBondContact O-N 3.16Å; D283-S327 WeakPolarHBondContact OD1-CB 3.45Å; D283-S327 PolarHBondContact OD1-OG 3.36Å; D283-T330 HydrophobicContact CB-CG2 4.15Å
284L88.6Confident88.6Confident70 Ų7049.7 Ų49.737%0.36625%0.253SS..SBendtrans-73.2143.2179.6-66.8174000112.3V237 K281 M282 E286 A287V237-L284 HydrophobicContact CG1-CD1 4.23Å; K281-L284 HydrophobicContact CB-CD1 4.09Å; K281-L284 HydrophobicContact CB-CG 4.34Å; K281-L284 WeakPolarHBondContact O-CG 3.47Å; K281-L284 PolarHBondContact O-N 2.8Å; M282-L284 VanDerWaalsContact C-N 3.28Å; L284-E286 PolarHBondContact O-N 3.48Å; L284-A287 HydrophobicContact CB-CB 4.46Å; L284-A287 VanDerWaalsContact O-CB 3.26Å; L284-A287 WeakPolarHBondContact O-CB 3.38Å; L284-A287 PolarHBondContact O-N 3.29Å
285P78.9Confident88.8Confident111 Ų11151.7 Ų51.772%0.72126%0.26SS*.THydrogen-bonded Turntrans-61.3135.2167.428.4-32.4000108.3
286E87.3Confident88.7Confident127 Ų12757 Ų5759%0.59328%0.284SS*.THydrogen-bonded Turntrans81.20.6-174.2-50.8168.1-172.600116.6L284 D288 Q289 M290L284-E286 PolarHBondContact O-N 3.48Å; E286-D288 VanDerWaalsContact C-N 3.27Å; E286-D288 PolarHBondContact O-N 3.01Å; E286-Q289 PolarHBondContact O-N 3.39Å; E286-M290 HydrophobicContact CB-CE 4.03Å; E286-M290 PolarHBondContact O-N 3.47Å; E286-M290 VanDerWaalsContact O-N 3.17Å
287A87.1Confident88.4Confident2 Ų259 Ų592%0.01729%0.293CS..Hα-helixtrans-57.8-36.7-179.300000113.9V237 M282 L284 L291V237-A287 HydrophobicContact CG1-CB 3.95Å; V237-A287 HydrophobicContact CG2-CB 4.29Å; M282-A287 HydrophobicContact CE-CB 3.84Å; M282-A287 HydrophobicContact SD-CB 4.01Å; L284-A287 HydrophobicContact CB-CB 4.46Å; L284-A287 VanDerWaalsContact O-CB 3.26Å; L284-A287 WeakPolarHBondContact O-CB 3.38Å; L284-A287 PolarHBondContact O-N 3.29Å; A287-L291 VanDerWaalsContact O-CB 3.28Å; A287-L291 WeakPolarHBondContact O-CB 3.23Å; A287-L291 PolarHBondContact O-N 3.47Å
288D88.7Confident87.9Confident122 Ų12260.8 Ų60.865%0.65230%0.303SS*.Hα-helixtrans-65.8-38.6179.7-65.7-44.1000112.6M282 E286 L291 E292M282-D288 WeakPolarHBondContact CE-OD1 3.33Å; E286-D288 VanDerWaalsContact C-N 3.27Å; E286-D288 PolarHBondContact O-N 3.01Å; D288-L291 PolarHBondContact O-N 2.84Å; D288-E292 PolarHBondContact O-N 3.14Å
289Q89.5Confident87.4Confident134 Ų13467.9 Ų67.963%0.62634%0.336SS*.Hα-helixtrans-68.7-48178.2-67.1177.70.600110.4E286 L291 E292 E293E286-Q289 PolarHBondContact O-N 3.39Å; Q289-L291 PolarHBondContact O-N 2.8Å; Q289-E292 PolarHBondContact O-N 2.77Å; Q289-E292 VanDerWaalsContact O-N 3.15Å; Q289-E293 WeakPolarHBondContact O-CG 3.12Å; Q289-E293 PolarHBondContact O-N 2.97Å
290M87.6Confident86.7Confident62 Ų6271 Ų7131%0.30535%0.353SS..Hα-helixtrans-61.7-32.8177-66-178.4-171.400112.5V237 E286 L294V237-M290 HydrophobicContact CG2-CB 3.8Å; E286-M290 HydrophobicContact CB-CE 4.03Å; E286-M290 PolarHBondContact O-N 3.47Å; E286-M290 VanDerWaalsContact O-N 3.17Å; M290-L294 WeakPolarHBondContact O-CB 3.45Å; M290-L294 PolarHBondContact O-N 2.77Å
291L89.3Confident85.9Confident7 Ų772.1 Ų72.14%0.03736%0.36CS..Hα-helixtrans-66.9-43175.1177.268000111.9V279 M282 A287 D288 Q289 L294 K295 P325V279-L291 HydrophobicContact CB-CD1 4.04Å; V279-L291 HydrophobicContact CG1-CD1 3.99Å; V279-L291 HydrophobicContact CG2-CD1 3.91Å; M282-L291 HydrophobicContact CE-CB 4.22Å; M282-L291 HydrophobicContact CE-CD2 3.83Å; M282-L291 HydrophobicContact SD-CB 4.4Å; M282-L291 HydrophobicContact SD-CD2 4.31Å; A287-L291 VanDerWaalsContact O-CB 3.28Å; A287-L291 WeakPolarHBondContact O-CB 3.23Å; A287-L291 PolarHBondContact O-N 3.47Å; D288-L291 PolarHBondContact O-N 2.84Å; Q289-L291 PolarHBondContact O-N 2.8Å; L291-L294 PolarHBondContact O-N 2.92Å; L291-K295 WeakPolarHBondContact O-CG 3.1Å; L291-K295 PolarHBondContact O-N 2.87Å; L291-P325 HydrophobicContact CD1-CB 4.35Å; L291-P325 HydrophobicContact CD2-CB 3.67Å; L291-P325 HydrophobicContact CD2-CG 4Å
292E88.8Confident84.9Confident108 Ų10876.5 Ų76.551%0.50538%0.381SS..Hα-helixtrans-66.3-42.4177-71.9-54.7144.300111.4D288 Q289 L294 K295 E296D288-E292 PolarHBondContact O-N 3.14Å; Q289-E292 PolarHBondContact O-N 2.77Å; Q289-E292 VanDerWaalsContact O-N 3.15Å; E292-L294 VanDerWaalsContact C-N 3.3Å; E292-L294 PolarHBondContact O-N 3.16Å; E292-K295 PolarHBondContact O-N 3.3Å; E292-K295 VanDerWaalsContact O-N 3.14Å; E292-K295 IonicContact OE1-NZ 2.73Å; E292-K295 PolarHBondContact OE1-NZ 2.62Å; E292-K295 IonicContact OE2-NZ 3.95Å; E292-E296 PolarHBondContact O-N 3.14Å
293E87.3Confident83.8Confident113 Ų11381.8 Ų81.853%0.52841%0.406SS..Hα-helixtrans-56.3-44.7171.9-70.4178.2-176.900111.6Q289 K295 E296 Q297Q289-E293 WeakPolarHBondContact O-CG 3.12Å; Q289-E293 PolarHBondContact O-N 2.97Å; E293-K295 PolarHBondContact O-N 2.84Å; E293-E296 PolarHBondContact O-N 2.89Å; E293-Q297 WeakPolarHBondContact O-CB 3.28Å; E293-Q297 VanDerWaalsContact O-CG 3.24Å; E293-Q297 WeakPolarHBondContact O-CG 3.41Å; E293-Q297 PolarHBondContact O-N 2.71Å
294L86.8Confident82.7Confident3 Ų380.6 Ų80.62%0.01640%0.397CS..Hα-helixtrans-64-41177.117763.4000112.1A251 F252 V279 M290 L291 E292 E296 Q297 L298A251-L294 HydrophobicContact CB-CD1 4.05Å; A251-L294 HydrophobicContact CB-CD2 3.9Å; A251-L294 HydrophobicContact CB-CG 4.49Å; F252-L294 HydrophobicContact CB-CD1 3.83Å; V279-L294 HydrophobicContact CG1-CD2 4.34Å; V279-L294 HydrophobicContact CG2-CD2 3.67Å; M290-L294 WeakPolarHBondContact O-CB 3.45Å; M290-L294 PolarHBondContact O-N 2.77Å; L291-L294 PolarHBondContact O-N 2.92Å; E292-L294 VanDerWaalsContact C-N 3.3Å; E292-L294 PolarHBondContact O-N 3.16Å; L294-E296 VanDerWaalsContact C-N 3.34Å; L294-Q297 PolarHBondContact O-N 3Å; L294-L298 HydrophobicContact CD1-CD1 4.08Å; L294-L298 HydrophobicContact CD1-CG 4.15Å; L294-L298 HydrophobicContact CG-CD1 3.92Å; L294-L298 HydrophobicContact CG-CG 4.41Å; L294-L298 WeakPolarHBondContact O-CB 3.39Å; L294-L298 WeakPolarHBondContact O-CG 3.49Å; L294-L298 PolarHBondContact O-N 3.44Å
295K86.9Confident81.5Confident63 Ų6378.1 Ų78.127%0.27439%0.385SS..Hα-helixtrans-63.1-42.2177.7-76.2174.7-172.6166.50111.3L291 E292 E293 L298 Q299L291-K295 WeakPolarHBondContact O-CG 3.1Å; L291-K295 PolarHBondContact O-N 2.87Å; E292-K295 PolarHBondContact O-N 3.3Å; E292-K295 VanDerWaalsContact O-N 3.14Å; E292-K295 IonicContact OE1-NZ 2.73Å; E292-K295 PolarHBondContact OE1-NZ 2.62Å; E292-K295 IonicContact OE2-NZ 3.95Å; E293-K295 PolarHBondContact O-N 2.84Å; K295-L298 PolarHBondContact O-N 2.89Å; K295-Q299 WeakPolarHBondContact O-CG 3.22Å; K295-Q299 PolarHBondContact O-N 2.72Å
296E86Confident80.8Confident115 Ų11579.8 Ų79.854%0.53739%0.388SS..Hα-helixtrans-62.1-46.6176.6-170.8173.1-165.900110.9E292 E293 L294 L298 Q299 N300E292-E296 PolarHBondContact O-N 3.14Å; E293-E296 PolarHBondContact O-N 2.89Å; L294-E296 VanDerWaalsContact C-N 3.34Å; E296-L298 VanDerWaalsContact C-N 3.3Å; E296-L298 PolarHBondContact O-N 3.15Å; E296-Q299 PolarHBondContact O-N 3.45Å; E296-Q299 VanDerWaalsContact O-N 3.15Å; E296-N300 PolarHBondContact O-N 2.61Å; E296-N300 VanDerWaalsContact O-N 3.11Å
297Q83.6Confident79.7Confident41 Ų4180.2 Ų80.219%0.19239%0.394CS..Hα-helixtrans-61.5-35.3176.5-71.1172-11.100113.1F252 E293 L294 N300 P301 F304F252-Q297 HydrophobicContact CB-CB 4.31Å; F252-Q297 HydrophobicContact CD1-CB 4.44Å; F252-Q297 HydrophobicContact CD2-CB 3.64Å; F252-Q297 HydrophobicContact CE2-CB 3.96Å; F252-Q297 VanDerWaalsContact CE2-O 3.28Å; F252-Q297 WeakPolarHBondContact CE2-O 3.4Å; F252-Q297 HydrophobicContact CG-CB 3.9Å; F252-Q297 HydrophobicContact CZ-CB 4.49Å; E293-Q297 WeakPolarHBondContact O-CB 3.28Å; E293-Q297 VanDerWaalsContact O-CG 3.24Å; E293-Q297 WeakPolarHBondContact O-CG 3.41Å; E293-Q297 PolarHBondContact O-N 2.71Å; L294-Q297 PolarHBondContact O-N 3Å; Q297-N300 CarbonylContact O-C 3.56Å; Q297-P301 WeakPolarHBondContact O-CA 3.35Å; Q297-F304 HydrophobicContact CB-CD2 4.29Å; Q297-F304 HydrophobicContact CB-CG 4.5Å; Q297-F304 HydrophobicContact CG-CD1 3.99Å; Q297-F304 HydrophobicContact CG-CD2 4.04Å; Q297-F304 HydrophobicContact CG-CE1 4.06Å; Q297-F304 HydrophobicContact CG-CE2 4.12Å; Q297-F304 HydrophobicContact CG-CG 3.99Å; Q297-F304 HydrophobicContact CG-CZ 4.13Å
298L82.1Confident78.8Confident37 Ų3780.8 Ų80.819%0.19440%0.396CS..Hα-helixtrans-75.2-26.7177.2-71.8169.8000113.4F252 V255 L277 L294 K295 E296 F320 V323F252-L298 HydrophobicContact CD2-CD2 4.19Å; F252-L298 HydrophobicContact CE2-CD2 4.41Å; V255-L298 HydrophobicContact CG1-CD2 4.46Å; L277-L298 HydrophobicContact CD2-CD1 3.37Å; L294-L298 HydrophobicContact CD1-CD1 4.08Å; L294-L298 HydrophobicContact CD1-CG 4.15Å; L294-L298 HydrophobicContact CG-CD1 3.92Å; L294-L298 HydrophobicContact CG-CG 4.41Å; L294-L298 WeakPolarHBondContact O-CB 3.39Å; L294-L298 WeakPolarHBondContact O-CG 3.49Å; L294-L298 PolarHBondContact O-N 3.44Å; K295-L298 PolarHBondContact O-N 2.89Å; E296-L298 VanDerWaalsContact C-N 3.3Å; E296-L298 PolarHBondContact O-N 3.15Å; L298-F320 HydrophobicContact CD2-CD2 4.26Å; L298-F320 HydrophobicContact CD2-CE2 4.09Å; L298-V323 HydrophobicContact CD1-CG2 4.17Å
299Q81.6Confident77.9Confident149 Ų14978 Ų7870%0.69639%0.385SS*.Hα-helixtrans-76.7-37.5176-73.5177.510.400111.8K295 E296 P301K295-Q299 WeakPolarHBondContact O-CG 3.22Å; K295-Q299 PolarHBondContact O-N 2.72Å; E296-Q299 PolarHBondContact O-N 3.45Å; E296-Q299 VanDerWaalsContact O-N 3.15Å; Q299-P301 WeakPolarHBondContact O-CD 3.44Å
300N79.9Confident76.8Confident67 Ų6778.4 Ų78.436%0.35839%0.391SS..SBendtrans-11757.1-179-63.5-29.8000112.6E296 Q297 E302 E303 F304E296-N300 PolarHBondContact O-N 2.61Å; E296-N300 VanDerWaalsContact O-N 3.11Å; Q297-N300 CarbonylContact O-C 3.56Å; N300-E302 PolarHBondContact O-N 2.96Å; N300-E302 VanDerWaalsContact O-N 3.14Å; N300-E303 HydrophobicContact CB-CB 4.43Å; N300-E303 HydrophobicContact CB-CG 4.35Å; N300-E303 PolarHBondContact O-N 3.36Å; N300-F304 HydrophobicContact CB-CE2 4.39Å; N300-F304 WeakPolarHBondContact O-CD2 3.38Å
301P72.4Confident75.8Confident27 Ų2779 Ų7918%0.17540%0.396CS..Hα-helixtrans-60.1-33.4-173.225.1-33.7000112.5F252 Q297 Q299 E303 F304 T305 F317F252-P301 HydrophobicContact CZ-CB 4.48Å; Q297-P301 WeakPolarHBondContact O-CA 3.35Å; Q299-P301 WeakPolarHBondContact O-CD 3.44Å; P301-E303 PolarHBondContact O-N 2.96Å; P301-F304 PolarHBondContact O-N 3.38Å; P301-T305 PolarHBondContact O-N 3.48Å; P301-T305 PolarHBondContact O-OG1 2.93Å; P301-F317 HydrophobicContact CB-CD1 3.91Å; P301-F317 HydrophobicContact CB-CE1 4.02Å; P301-F317 HydrophobicContact CB-CG 4.2Å; P301-F317 HydrophobicContact CB-CZ 4.43Å; P301-F317 HydrophobicContact CG-CG 4.34Å
302E69.4Low74.7Confident153 Ų15379 Ų7972%0.71540%0.396SS*.Hα-helixtrans-63.9-35.9-178.8-62.1-172.617600113N300 T305N300-E302 PolarHBondContact O-N 2.96Å; N300-E302 VanDerWaalsContact O-N 3.14Å; E302-T305 WeakPolarHBondContact CA-OG1 3.39Å; E302-T305 WeakPolarHBondContact O-CB 3.47Å; E302-T305 PolarHBondContact O-N 3.13Å
303E68.5Low73.9Confident133 Ų13376.2 Ų76.262%0.62138%0.384SS*.Hα-helixtrans-70.8-39.4179.8-65.6-176.4165.200111.5N300 P301 T305N300-E303 HydrophobicContact CB-CB 4.43Å; N300-E303 HydrophobicContact CB-CG 4.35Å; N300-E303 PolarHBondContact O-N 3.36Å; P301-E303 PolarHBondContact O-N 2.96Å; E303-T305 VanDerWaalsContact C-N 3.31Å
304F66.9Low73.1Confident48 Ų4871 Ų7121%0.21136%0.36CS..Hα-helixtrans-84.5-5.4179-64.7-83.8000113.4F252 Q297 N300 P301 N306 L307F252-F304 HydrophobicContact CE1-CB 3.98Å; F252-F304 HydrophobicContact CZ-CB 4.21Å; Q297-F304 HydrophobicContact CB-CD2 4.29Å; Q297-F304 HydrophobicContact CB-CG 4.5Å; Q297-F304 HydrophobicContact CG-CD1 3.99Å; Q297-F304 HydrophobicContact CG-CD2 4.04Å; Q297-F304 HydrophobicContact CG-CE1 4.06Å; Q297-F304 HydrophobicContact CG-CE2 4.12Å; Q297-F304 HydrophobicContact CG-CG 3.99Å; Q297-F304 HydrophobicContact CG-CZ 4.13Å; N300-F304 HydrophobicContact CB-CE2 4.39Å; N300-F304 WeakPolarHBondContact O-CD2 3.38Å; P301-F304 PolarHBondContact O-N 3.38Å; F304-N306 VanDerWaalsContact C-N 3.27Å; F304-N306 PolarHBondContact O-N 3.25Å; F304-L307 HydrophobicContact CD1-CD1 3.85Å; F304-L307 PolarHBondContact O-N 3.01Å
305T63.3Low72.3Confident19 Ų1978.2 Ų78.212%0.11739%0.391CS..Hα-helixtrans-65.1-33.1178.2-59.90000111.5P301 E302 E303 L307 L308 I313 F317P301-T305 PolarHBondContact O-N 3.48Å; P301-T305 PolarHBondContact O-OG1 2.93Å; E302-T305 WeakPolarHBondContact CA-OG1 3.39Å; E302-T305 WeakPolarHBondContact O-CB 3.47Å; E302-T305 PolarHBondContact O-N 3.13Å; E303-T305 VanDerWaalsContact C-N 3.31Å; T305-L307 PolarHBondContact O-N 3.05Å; T305-L308 PolarHBondContact O-N 3.43Å; T305-L308 VanDerWaalsContact O-N 3.11Å; T305-I313 HydrophobicContact CG2-CB 4.07Å; T305-I313 HydrophobicContact CG2-CD1 3.63Å; T305-I313 HydrophobicContact CG2-CG1 3.61Å; T305-I313 HydrophobicContact CG2-CG2 3.37Å; T305-F317 HydrophobicContact CG2-CZ 4.39Å; T305-F317 WeakPolarHBondContact OG1-CZ 3.18Å
306N63.1Low71.6Confident146 Ų14678 Ų7878%0.78139%0.393SS*.THydrogen-bonded Turntrans-67-17.5179-64.1-41.3000113.7F304F304-N306 VanDerWaalsContact C-N 3.27Å; F304-N306 PolarHBondContact O-N 3.25Å
307L65.1Low71Confident136 Ų13675.4 Ų75.471%0.71238%0.38SS*.THydrogen-bonded Turntrans-88.8-11.2177.8-67.8162.3000112.2F304 T305F304-L307 HydrophobicContact CD1-CD1 3.85Å; F304-L307 PolarHBondContact O-N 3.01Å; T305-L307 PolarHBondContact O-N 3.05Å
308L67Low70.6Confident14 Ų1474.4 Ų74.47%0.07338%0.375CS..SBendtrans-93.1144.3-179-63.6174.8000110.8F252 E253 Q256 T305 M312 I313F252-L308 HydrophobicContact CE1-CD1 3.83Å; F252-L308 HydrophobicContact CE1-CG 4.43Å; E253-L308 HydrophobicContact CG-CD2 3.52Å; Q256-L308 HydrophobicContact CB-CD1 4.27Å; Q256-L308 HydrophobicContact CG-CD1 3.86Å; T305-L308 PolarHBondContact O-N 3.43Å; T305-L308 VanDerWaalsContact O-N 3.11Å; L308-M312 HydrophobicContact CB-CB 4.46Å; L308-I313 HydrophobicContact CB-CG1 4.22Å
309P69.8Low70.5Confident62 Ų6278.7 Ų78.740%0.40340%0.403SS..  trans-63.1147.8170.1-2.211.1000111.1D311 M312P309-D311 WeakPolarHBondContact CB-OD1 3.37Å; P309-D311 PolarHBondContact O-N 3.25Å; P309-M312 HydrophobicContact CG-CE 4.05Å; P309-M312 HydrophobicContact CG-CG 4.29Å; P309-M312 HydrophobicContact CG-SD 4.19Å; P309-M312 PolarHBondContact O-N 3.1Å
310D66.9Low70.5Confident144 Ų14472.9 Ų72.977%0.7738%0.376SS*.THydrogen-bonded Turntrans-53.8-23.7-176.6-72.1-26.3000113.9K260 M312K260-D310 PolarHBondContact NZ-O 2.87Å; D310-M312 VanDerWaalsContact C-N 3.28Å; D310-M312 PolarHBondContact O-N 3.07Å
311D66.7Low70.4Confident74 Ų7473.9 Ų73.940%0.39638%0.375SS..THydrogen-bonded Turntrans-82.4-1.3179.383.1-45.7000113.8K260 K261 P309K260-D311 WeakPolarHBondContact CD-O 3.04Å; K260-D311 WeakPolarHBondContact CE-O 3.49Å; K260-D311 VanDerWaalsContact NZ-C 3.25Å; K260-D311 PolarHBondContact NZ-O 2.95Å; K261-D311 WeakPolarHBondContact CE-O 3.49Å; K261-D311 WeakPolarHBondContact CE-OD2 3.49Å; K261-D311 IonicContact NZ-OD2 3.23Å; K261-D311 PolarHBondContact NZ-OD2 3.48Å; P309-D311 WeakPolarHBondContact CB-OD1 3.37Å; P309-D311 PolarHBondContact O-N 3.25Å
312M67.5Low71Confident8 Ų875.6 Ų75.64%0.03938%0.38CS..THydrogen-bonded Turntrans-112.3-15179.9-57.2-161.8-175.100114.9R249 L257 K260 L308 P309 D310 P314R249-M312 VanDerWaalsContact NE-CE 3.31Å; L257-M312 HydrophobicContact CD1-CE 4.03Å; L257-M312 HydrophobicContact CD1-SD 3.89Å; L257-M312 HydrophobicContact CD2-CB 4.33Å; L257-M312 HydrophobicContact CD2-CE 3.95Å; L257-M312 HydrophobicContact CD2-CG 3.61Å; L257-M312 HydrophobicContact CD2-SD 3.74Å; L257-M312 HydrophobicContact CG-CE 4.29Å; L257-M312 HydrophobicContact CG-CG 4.12Å; L257-M312 HydrophobicContact CG-SD 3.71Å; K260-M312 WeakPolarHBondContact CD-O 3.26Å; L308-M312 HydrophobicContact CB-CB 4.46Å; P309-M312 HydrophobicContact CG-CE 4.05Å; P309-M312 HydrophobicContact CG-CG 4.29Å; P309-M312 HydrophobicContact CG-SD 4.19Å; P309-M312 PolarHBondContact O-N 3.1Å; D310-M312 VanDerWaalsContact C-N 3.28Å; D310-M312 PolarHBondContact O-N 3.07Å; M312-P314 VanDerWaalsContact O-CD 3.23Å; M312-P314 WeakPolarHBondContact O-CD 3.08Å
313I71.4Confident72Confident48 Ų4870.6 Ų70.625%0.24636%0.36CS..  trans-76.7107.4-178.5-54.2170.4000112.2K260 T305 L308K260-I313 VanDerWaalsContact CD-C 3.5Å; K260-I313 VanDerWaalsContact CD-O 3.26Å; K260-I313 WeakPolarHBondContact CD-O 3.34Å; K260-I313 VanDerWaalsContact CE-O 3.22Å; K260-I313 WeakPolarHBondContact CE-O 3.47Å; K260-I313 VanDerWaalsContact NZ-N 3.14Å; K260-I313 PolarHBondContact NZ-O 3.49Å; T305-I313 HydrophobicContact CG2-CB 4.07Å; T305-I313 HydrophobicContact CG2-CD1 3.63Å; T305-I313 HydrophobicContact CG2-CG1 3.61Å; T305-I313 HydrophobicContact CG2-CG2 3.37Å; L308-I313 HydrophobicContact CB-CG1 4.22Å
314P69.3Low73.2Confident5 Ų564.3 Ų64.33%0.03233%0.331CS..  trans-70.7155.5178.830.6-34.4000111.1Q256 T259 K260 E264 M312 N316 F317Q256-P314 VanDerWaalsContact OE1-CD 3.32Å; Q256-P314 VanDerWaalsContact OE1-CG 3.25Å; T259-P314 HydrophobicContact CG2-CB 3.89Å; T259-P314 HydrophobicContact CG2-CG 4.15Å; K260-P314 HydrophobicContact CB-CB 4.01Å; E264-P314 VanDerWaalsContact OE2-CA 3.23Å; E264-P314 WeakPolarHBondContact OE2-CA 3.15Å; E264-P314 WeakPolarHBondContact OE2-CB 3.37Å; M312-P314 VanDerWaalsContact O-CD 3.23Å; M312-P314 WeakPolarHBondContact O-CD 3.08Å; P314-N316 VanDerWaalsContact C-N 3.29Å; P314-F317 HydrophobicContact CG-CD1 3.75Å; P314-F317 HydrophobicContact CG-CE1 3.8Å; P314-F317 HydrophobicContact CG-CG 4.45Å
315K71.4Confident74.4Confident153 Ų15363.6 Ų63.667%0.66533%0.331SS*.SBendtrans-70.2-30171.7-65.9176.8-158.9166.70112.2E264 E268E264-K315 WeakPolarHBondContact OE1-CB 3.33Å; E264-K315 WeakPolarHBondContact OE1-CD 3.44Å; E264-K315 WeakPolarHBondContact OE1-CE 3.47Å; E264-K315 WeakPolarHBondContact OE1-CG 3Å; E264-K315 PolarHBondContact OE1-N 3.29Å; E264-K315 PolarHBondContact OE2-N 2.83Å; E268-K315 IonicContact OE1-NZ 3.97Å
316N72.4Confident75.8Confident58 Ų5862.7 Ų62.731%0.3133%0.326SS..SBendtrans-129.4120.1179-70-64.2000109V271 P314V271-N316 HydrophobicContact CG1-CB 3.99Å; V271-N316 WeakPolarHBondContact CG1-O 3.46Å; P314-N316 VanDerWaalsContact C-N 3.29Å
317F72.6Confident77.2Confident61 Ų6155.8 Ų55.827%0.26829%0.288SS..  trans-73.6139.4172-63-77.9000110.8P301 T305 P314P301-F317 HydrophobicContact CB-CD1 3.91Å; P301-F317 HydrophobicContact CB-CE1 4.02Å; P301-F317 HydrophobicContact CB-CG 4.2Å; P301-F317 HydrophobicContact CB-CZ 4.43Å; P301-F317 HydrophobicContact CG-CG 4.34Å; T305-F317 HydrophobicContact CG2-CZ 4.39Å; T305-F317 WeakPolarHBondContact OG1-CZ 3.18Å; P314-F317 HydrophobicContact CG-CD1 3.75Å; P314-F317 HydrophobicContact CG-CE1 3.8Å; P314-F317 HydrophobicContact CG-CG 4.45Å
318I76.1Confident78.3Confident20 Ų2050.1 Ų50.110%0.10326%0.261CS..  trans-78.8126.2172.8-67.5-179.5000108.5F233 T259 L263 V271 S275 F320F233-I318 HydrophobicContact CE1-CD1 4.17Å; F233-I318 HydrophobicContact CE2-CD1 4.13Å; F233-I318 HydrophobicContact CZ-CD1 3.43Å; F233-I318 VanDerWaalsContact CZ-CD1 3.43Å; T259-I318 HydrophobicContact CG2-CD1 3.69Å; T259-I318 HydrophobicContact CG2-CG1 3.64Å; T259-I318 WeakPolarHBondContact OG1-CD1 3.35Å; L263-I318 HydrophobicContact CD1-CD1 3.9Å; V271-I318 HydrophobicContact CB-CG1 4.47Å; V271-I318 HydrophobicContact CG1-CD1 4.26Å; V271-I318 HydrophobicContact CG1-CG1 3.57Å; S275-I318 WeakPolarHBondContact OG-CG2 3.45Å; I318-F320 HydrophobicContact CB-CZ 4.23Å; I318-F320 HydrophobicContact CG2-CD1 4.04Å; I318-F320 HydrophobicContact CG2-CE1 3.68Å; I318-F320 HydrophobicContact CG2-CE2 4.23Å; I318-F320 HydrophobicContact CG2-CG 4.48Å; I318-F320 HydrophobicContact CG2-CZ 3.78Å
319T78.3Confident79.2Confident127 Ų12756.3 Ų56.378%0.77929%0.294SS*.  trans-91.1113.7169.1-45.80000108.9
320F82.5Confident80Confident27 Ų2757.9 Ų57.912%0.11830%0.302CS..  trans-79.7133.9173.9-60.3-73.8000110.1F233 V255 S275 L277 L298 I318 V323F233-F320 HydrophobicContact CB-CE1 4.01Å; F233-F320 HydrophobicContact CD1-CE1 4.29Å; F233-F320 HydrophobicContact CD1-CZ 4.32Å; F233-F320 AromaticContact CD2-CE1 3.6Å; F233-F320 HydrophobicContact CD2-CE1 3.6Å; F233-F320 HydrophobicContact CD2-CZ 4.39Å; F233-F320 HydrophobicContact CE2-CE1 4.04Å; F233-F320 AromaticContact CG-CE1 3.71Å; F233-F320 HydrophobicContact CG-CE1 3.71Å; F233-F320 HydrophobicContact CG-CZ 4.17Å; V255-F320 HydrophobicContact CG1-CE2 3.65Å; V255-F320 HydrophobicContact CG1-CZ 3.66Å; S275-F320 WeakPolarHBondContact OG-CD1 3.35Å; L277-F320 HydrophobicContact CB-CB 4.17Å; L277-F320 HydrophobicContact CB-CD1 3.67Å; L277-F320 HydrophobicContact CB-CD2 4.1Å; L277-F320 HydrophobicContact CB-CE1 4.06Å; L277-F320 HydrophobicContact CB-CE2 4.46Å; L277-F320 HydrophobicContact CB-CG 3.69Å; L277-F320 HydrophobicContact CB-CZ 4.44Å; L277-F320 HydrophobicContact CD1-CE1 4.44Å; L277-F320 HydrophobicContact CD1-CZ 4.34Å; L277-F320 HydrophobicContact CD2-CD2 4.23Å; L277-F320 HydrophobicContact CD2-CE2 4.3Å; L298-F320 HydrophobicContact CD2-CD2 4.26Å; L298-F320 HydrophobicContact CD2-CE2 4.09Å; I318-F320 HydrophobicContact CB-CZ 4.23Å; I318-F320 HydrophobicContact CG2-CD1 4.04Å; I318-F320 HydrophobicContact CG2-CE1 3.68Å; I318-F320 HydrophobicContact CG2-CE2 4.23Å; I318-F320 HydrophobicContact CG2-CG 4.48Å; I318-F320 HydrophobicContact CG2-CZ 3.78Å; F320-V323 HydrophobicContact CB-CG2 4.43Å
321R78.1Confident80.9Confident88 Ų8852.9 Ų52.933%0.33229%0.285SS..SBendtrans-70.6-39.5174.5-78.3-172.7174.8172.8-6.1112.3S275 S344 E347S275-R321 PolarHBondContact O-N 3.24Å; R321-S344 PolarHBondContact NH1-O 2.89Å; R321-S344 PolarHBondContact NH1-OG 2.87Å; R321-E347 IonicContact NH1-OE2 3.13Å
322H85.3Confident82.1Confident63 Ų6355.3 Ų55.329%0.29229%0.292SS..  trans-138.3138.9179.8-59-65.4000109.2L276 L277 V324L276-H322 HydrophobicContact CD2-CB 4.2Å; L276-H322 HydrophobicContact CG-CB 4.23Å; L277-H322 PolarHBondContact N-O 3.31Å; H322-V324 HydrophobicContact CB-CG2 4.1Å
323V90.1Very high83.1Confident48 Ų4855.9 Ų55.929%0.29130%0.3SS..EExtended strand (participates in β ladder)trans-110.4112.3167.9-178.20000106.3L277 V279 L298 F320L277-V323 HydrophobicContact CB-CG1 4.5Å; L277-V323 HydrophobicContact CB-CG2 4.24Å; L277-V323 HydrophobicContact CD2-CG1 4.05Å; L277-V323 HydrophobicContact CD2-CG2 4.2Å; L277-V323 HydrophobicContact CG-CG1 4.4Å; L277-V323 CarbonylContact O-C 3.59Å; L277-V323 WeakPolarHBondContact O-CA 3.48Å; V279-V323 HydrophobicContact CG2-CG1 3.93Å; L298-V323 HydrophobicContact CD1-CG2 4.17Å; F320-V323 HydrophobicContact CB-CG2 4.43Å
324V92.4Very high83.9Confident1 Ų154 Ų541%0.00629%0.291CS..EExtended strand (participates in β ladder)trans-114.8113.6-172.5-174.70000109.6L277 V278 V279 H322 I326 L337 C340L277-V324 PolarHBondContact O-N 2.78Å; V278-V324 WeakPolarHBondContact CA-O 3.39Å; V279-V324 PolarHBondContact N-O 2.97Å; H322-V324 HydrophobicContact CB-CG2 4.1Å; V324-I326 HydrophobicContact CG1-CG2 3.96Å; V324-L337 HydrophobicContact CB-CD1 4.14Å; V324-L337 HydrophobicContact CG1-CB 3.97Å; V324-L337 HydrophobicContact CG1-CD1 4.23Å; V324-L337 HydrophobicContact CG2-CD1 4.17Å; V324-C340 HydrophobicContact CG2-CB 4.26Å
325P92.9Very high84.9Confident34 Ų3459.4 Ų59.422%0.22132%0.32CS..EExtended strand (participates in β ladder)trans-76.8133.2173.131.4-32.9000110.4V279 M282 L291V279-P325 CarbonylContact O-C 3.48Å; V279-P325 WeakPolarHBondContact O-CA 3.35Å; M282-P325 HydrophobicContact CE-CB 4.23Å; M282-P325 HydrophobicContact CG-CB 3.84Å; M282-P325 HydrophobicContact SD-CB 3.98Å; L291-P325 HydrophobicContact CD1-CB 4.35Å; L291-P325 HydrophobicContact CD2-CB 3.67Å; L291-P325 HydrophobicContact CD2-CG 4Å
326I93.4Very high85.9Confident0 Ų057.7 Ų57.70%031%0.314CS..  trans-141.2160.4179.467.5162000111.7L165 V278 V279 N280 K281 M282 V324 F332 L337L165-I326 HydrophobicContact CD1-CD1 3.24Å; L165-I326 HydrophobicContact CD2-CD1 3.97Å; L165-I326 HydrophobicContact CG-CD1 4.12Å; V278-I326 HydrophobicContact CG1-CB 4.46Å; V278-I326 HydrophobicContact CG1-CD1 3.18Å; V278-I326 HydrophobicContact CG1-CG1 3.43Å; V278-I326 VanDerWaalsContact CG1-CG1 3.43Å; V278-I326 HydrophobicContact CG1-CG2 4.21Å; V279-I326 PolarHBondContact O-N 2.74Å; N280-I326 CarbonylContact C-O 3.53Å; N280-I326 WeakPolarHBondContact CA-O 3.26Å; N280-I326 HydrophobicContact CB-CD1 4.38Å; N280-I326 HydrophobicContact CB-CG1 4.15Å; K281-I326 PolarHBondContact N-O 3.47Å; M282-I326 WeakPolarHBondContact CB-O 3.26Å; M282-I326 WeakPolarHBondContact CG-O 3.41Å; M282-I326 PolarHBondContact N-O 3.39Å; V324-I326 HydrophobicContact CG1-CG2 3.96Å; I326-F332 CarbonylContact C-O 3.58Å; I326-F332 VanDerWaalsContact CA-O 3.22Å; I326-F332 WeakPolarHBondContact CA-O 3.13Å; I326-F332 WeakPolarHBondContact CB-O 3.43Å; I326-L337 HydrophobicContact CD1-CD2 4.4Å; I326-L337 HydrophobicContact CG2-CB 4.34Å; I326-L337 HydrophobicContact CG2-CD2 4.18Å
327S92.3Very high86.8Confident0 Ų055 Ų550%030%0.299CS..  trans-125.4111.4156.6172.40000108.6D283 L329 T330 G331 F332D283-S327 WeakPolarHBondContact OD1-CB 3.45Å; D283-S327 PolarHBondContact OD1-OG 3.36Å; S327-L329 PolarHBondContact O-N 3.22Å; S327-L329 PolarHBondContact OG-N 2.7Å; S327-T330 VanDerWaalsContact CB-OG1 3.25Å; S327-T330 WeakPolarHBondContact CB-OG1 3.45Å; S327-T330 PolarHBondContact O-N 3.31Å; S327-T330 PolarHBondContact OG-N 2.87Å; S327-T330 PolarHBondContact OG-OG1 2.86Å; S327-G331 WeakPolarHBondContact O-CA 3.44Å; S327-G331 PolarHBondContact O-N 3.19Å; S327-F332 PolarHBondContact N-O 3.16Å; S327-F332 PolarHBondContact O-N 2.97Å
328A87.2Confident87.7Confident17 Ų1753.7 Ų53.714%0.1429%0.294CS..THydrogen-bonded Turntrans-63.9-20.2176.300000112.7N280N280-A328 PolarHBondContact OD1-N 3.24Å
329L86.7Confident88.4Confident144 Ų14456 Ų5675%0.75431%0.311SS*.THydrogen-bonded Turntrans-79.6-45.8178.7-176.166.5000111.8S327S327-L329 PolarHBondContact O-N 3.22Å; S327-L329 PolarHBondContact OG-N 2.7Å
330T87.3Confident89Confident96 Ų9650.2 Ų50.259%0.58928%0.276SS*.THydrogen-bonded Turntrans-90.5-16.4-177.765.50000113.1D283 S327 F332D283-T330 HydrophobicContact CB-CG2 4.15Å; S327-T330 VanDerWaalsContact CB-OG1 3.25Å; S327-T330 WeakPolarHBondContact CB-OG1 3.45Å; S327-T330 PolarHBondContact O-N 3.31Å; S327-T330 PolarHBondContact OG-N 2.87Å; S327-T330 PolarHBondContact OG-OG1 2.86Å; T330-F332 VanDerWaalsContact C-N 3.28Å; T330-F332 WeakPolarHBondContact OG1-CB 3.45Å; T330-F332 PolarHBondContact OG1-N 2.9Å
331G85.6Confident89.3Confident39 Ų3949 Ų4940%0.40227%0.271SS..  trans82.53-172.100000113.8S327 G333 V334S327-G331 WeakPolarHBondContact O-CA 3.44Å; S327-G331 PolarHBondContact O-N 3.19Å; G331-G333 PolarHBondContact O-N 3.49Å; G331-V334 WeakPolarHBondContact O-CG2 3.4Å; G331-V334 PolarHBondContact O-N 3.19Å
332F90.4Very high89.8Confident124 Ų12446.6 Ų46.654%0.54426%0.262SS..THydrogen-bonded Turntrans-58.6132.7177.7179-98.7000111.4M282 I326 S327 T330 V334M282-F332 HydrophobicContact CB-CD1 4.44Å; I326-F332 CarbonylContact C-O 3.58Å; I326-F332 VanDerWaalsContact CA-O 3.22Å; I326-F332 WeakPolarHBondContact CA-O 3.13Å; I326-F332 WeakPolarHBondContact CB-O 3.43Å; S327-F332 PolarHBondContact N-O 3.16Å; S327-F332 PolarHBondContact O-N 2.97Å; T330-F332 VanDerWaalsContact C-N 3.28Å; T330-F332 WeakPolarHBondContact OG1-CB 3.45Å; T330-F332 PolarHBondContact OG1-N 2.9Å; F332-V334 PolarHBondContact O-N 3.24Å
333G88.9Confident90Very high21 Ų2148.3 Ų48.322%0.21627%0.272CS..THydrogen-bonded Turntrans74.6-4.1175.300000116G331 D335 H336 L337G331-G333 PolarHBondContact O-N 3.49Å; G333-D335 PolarHBondContact O-N 3.03Å; G333-H336 PolarHBondContact O-N 3.3Å; G333-L337 PolarHBondContact O-N 2.86Å
334V89.7Confident89.8Confident9 Ų946 Ų466%0.05526%0.258CS..Hα-helixtrans-65.3-40.7-175.7177.10000112.2A168 L169 G331 F332 L337 K338A168-V334 HydrophobicContact CB-CG2 4.39Å; L169-V334 HydrophobicContact CD2-CG1 3.74Å; L169-V334 HydrophobicContact CG-CG1 4.31Å; G331-V334 WeakPolarHBondContact O-CG2 3.4Å; G331-V334 PolarHBondContact O-N 3.19Å; F332-V334 PolarHBondContact O-N 3.24Å; V334-L337 WeakPolarHBondContact O-CB 3.37Å; V334-L337 PolarHBondContact O-N 3.28Å; V334-K338 WeakPolarHBondContact O-CG 3.36Å; V334-K338 PolarHBondContact O-N 3.12Å
335D89.9Confident89.4Confident118 Ų11846.8 Ų46.863%0.63126%0.262SS*.Hα-helixtrans-68.5-38.7178.2-69.8-33.6000112.1G333 L337 K338 S339G333-D335 PolarHBondContact O-N 3.03Å; D335-L337 VanDerWaalsContact C-N 3.3Å; D335-L337 PolarHBondContact O-N 3.5Å; D335-K338 WeakPolarHBondContact O-CB 3.44Å; D335-K338 PolarHBondContact O-N 2.85Å; D335-S339 PolarHBondContact O-N 3.09Å; D335-S339 VanDerWaalsContact O-N 3.1Å; D335-S339 PolarHBondContact O-OG 3Å
336H91.6Very high88.9Confident117 Ų11747.9 Ų47.954%0.54227%0.267SS..Hα-helixtrans-61.5-42.4173.2-173.957.7000111G333 K338 S339 C340G333-H336 PolarHBondContact O-N 3.3Å; H336-K338 PolarHBondContact O-N 3.31Å; H336-S339 WeakPolarHBondContact O-CB 3.18Å; H336-S339 PolarHBondContact O-N 3Å; H336-C340 PolarHBondContact O-N 3.26Å; H336-C340 PolarHBondContact O-SG 3.35Å; H336-C340 VanDerWaalsContact O-SG 3.38Å
337L91.9Very high88.3Confident0 Ų052.1 Ų52.10%029%0.286CS..Hα-helixtrans-59.6-43.2174.1179.857.8000112.1L165 L169 L232 V278 V324 I326 G333 V334 D335 S339 C340 I341L165-L337 HydrophobicContact CD1-CD2 3.97Å; L165-L337 HydrophobicContact CD2-CD2 4.47Å; L169-L337 HydrophobicContact CD1-CD2 3.98Å; L169-L337 HydrophobicContact CD2-CD2 4.11Å; L169-L337 HydrophobicContact CD2-CG 4.28Å; L169-L337 HydrophobicContact CG-CD2 4.47Å; L232-L337 HydrophobicContact CD1-CD1 4.29Å; V278-L337 HydrophobicContact CG1-CD2 4.12Å; V278-L337 HydrophobicContact CG2-CD1 3.71Å; V278-L337 HydrophobicContact CG2-CD2 3.93Å; V324-L337 HydrophobicContact CB-CD1 4.14Å; V324-L337 HydrophobicContact CG1-CB 3.97Å; V324-L337 HydrophobicContact CG1-CD1 4.23Å; V324-L337 HydrophobicContact CG2-CD1 4.17Å; I326-L337 HydrophobicContact CD1-CD2 4.4Å; I326-L337 HydrophobicContact CG2-CB 4.34Å; I326-L337 HydrophobicContact CG2-CD2 4.18Å; G333-L337 PolarHBondContact O-N 2.86Å; V334-L337 WeakPolarHBondContact O-CB 3.37Å; V334-L337 PolarHBondContact O-N 3.28Å; D335-L337 VanDerWaalsContact C-N 3.3Å; D335-L337 PolarHBondContact O-N 3.5Å; L337-S339 VanDerWaalsContact C-N 3.31Å; L337-S339 PolarHBondContact O-N 3.2Å; L337-C340 PolarHBondContact O-N 3.33Å; L337-I341 HydrophobicContact CD1-CD1 3.99Å; L337-I341 HydrophobicContact CD1-CG1 4.07Å; L337-I341 HydrophobicContact CG-CD1 3.86Å; L337-I341 HydrophobicContact CG-CG1 4.4Å; L337-I341 WeakPolarHBondContact O-CB 3.37Å; L337-I341 VanDerWaalsContact O-CG1 3.28Å; L337-I341 WeakPolarHBondContact O-CG1 3.28Å; L337-I341 PolarHBondContact O-N 3.5Å
338K91.1Very high87.5Confident35 Ų3555.4 Ų55.415%0.15230%0.299CS..Hα-helixtrans-57.7-44.1175.4-71.3178.4-177.7174.70111.2L169 N171 V191 Y193 V334 D335 H336 R342L169-K338 HydrophobicContact CD2-CG 3.66Å; L169-K338 VanDerWaalsContact O-CE 3.32Å; L169-K338 WeakPolarHBondContact O-CE 3.39Å; N171-K338 PolarHBondContact OD1-NZ 3.25Å; V191-K338 HydrophobicContact CG1-CD 3.98Å; V191-K338 HydrophobicContact CG1-CG 3.99Å; Y193-K338 HydrophobicContact CE1-CB 4.14Å; Y193-K338 VanDerWaalsContact CE1-O 3.3Å; Y193-K338 WeakPolarHBondContact CE1-O 3.06Å; Y193-K338 PolarHBondContact OH-O 3.16Å; V334-K338 WeakPolarHBondContact O-CG 3.36Å; V334-K338 PolarHBondContact O-N 3.12Å; D335-K338 WeakPolarHBondContact O-CB 3.44Å; D335-K338 PolarHBondContact O-N 2.85Å; H336-K338 PolarHBondContact O-N 3.31Å; K338-R342 WeakPolarHBondContact O-CB 3.28Å; K338-R342 PolarHBondContact O-N 3.31Å
339S90.5Very high86.8Confident67 Ų6756.8 Ų56.847%0.46931%0.31SS..Hα-helixtrans-64.6-44.3176.6-64.50000112.5D335 H336 L337 R342 L343D335-S339 PolarHBondContact O-N 3.09Å; D335-S339 VanDerWaalsContact O-N 3.1Å; D335-S339 PolarHBondContact O-OG 3Å; H336-S339 WeakPolarHBondContact O-CB 3.18Å; H336-S339 PolarHBondContact O-N 3Å; L337-S339 VanDerWaalsContact C-N 3.31Å; L337-S339 PolarHBondContact O-N 3.2Å; S339-R342 WeakPolarHBondContact O-CB 3.4Å; S339-R342 PolarHBondContact O-N 3.12Å; S339-L343 WeakPolarHBondContact O-CG 3.34Å; S339-L343 PolarHBondContact O-N 3.48Å
340C90.4Very high86.2Confident6 Ų652.9 Ų52.94%0.04130%0.299CS..Hα-helixtrans-62.6-43.2177-700000112.6L276 V324 H336 L337 R342 L343 S344L276-C340 HydrophobicContact CD2-CB 4.01Å; V324-C340 HydrophobicContact CG2-CB 4.26Å; H336-C340 PolarHBondContact O-N 3.26Å; H336-C340 PolarHBondContact O-SG 3.35Å; H336-C340 VanDerWaalsContact O-SG 3.38Å; L337-C340 PolarHBondContact O-N 3.33Å; C340-R342 VanDerWaalsContact C-N 3.27Å; C340-R342 PolarHBondContact O-N 3.09Å; C340-L343 PolarHBondContact O-N 2.91Å; C340-S344 WeakPolarHBondContact O-CB 3.38Å; C340-S344 PolarHBondContact O-N 3.37Å
341I90.4Very high85.5Confident1 Ų153.8 Ų53.81%0.00530%0.298CS..Hα-helixtrans-57.8-44.9174.3-73.5168.8000110L152 L169 I199 I201 L232 L276 L337 S344 L345L152-I341 HydrophobicContact CD1-CG2 3.55Å; L152-I341 HydrophobicContact CD2-CB 4.4Å; L152-I341 HydrophobicContact CD2-CD1 4.21Å; L152-I341 HydrophobicContact CD2-CG1 3.93Å; L152-I341 HydrophobicContact CD2-CG2 3.72Å; L152-I341 HydrophobicContact CG-CG2 4.28Å; L169-I341 HydrophobicContact CD1-CD1 4.41Å; I199-I341 HydrophobicContact CD1-CG2 4.5Å; I201-I341 HydrophobicContact CD1-CD1 4.41Å; L232-I341 HydrophobicContact CD2-CD1 4.21Å; L276-I341 HydrophobicContact CD2-CG1 4.36Å; L337-I341 HydrophobicContact CD1-CD1 3.99Å; L337-I341 HydrophobicContact CD1-CG1 4.07Å; L337-I341 HydrophobicContact CG-CD1 3.86Å; L337-I341 HydrophobicContact CG-CG1 4.4Å; L337-I341 WeakPolarHBondContact O-CB 3.37Å; L337-I341 VanDerWaalsContact O-CG1 3.28Å; L337-I341 WeakPolarHBondContact O-CG1 3.28Å; L337-I341 PolarHBondContact O-N 3.5Å; I341-S344 PolarHBondContact O-N 3.46Å; I341-L345 HydrophobicContact CG2-CD1 4.16Å; I341-L345 WeakPolarHBondContact O-CG 3.49Å; I341-L345 PolarHBondContact O-N 3.32Å; I341-L345 VanDerWaalsContact O-N 3.08Å
342R88.4Confident84.6Confident39 Ų3956.1 Ų56.115%0.14730%0.299CS..Hα-helixtrans-64.3-50-178.5179.158.1-169.4-111.7-6.9112.2Y193 D195 K197 K338 S339 C340 S344 L345 D346Y193-R342 HydrophobicContact CD1-CB 4.31Å; Y193-R342 HydrophobicContact CD1-CG 4.39Å; Y193-R342 HydrophobicContact CE1-CB 3.61Å; Y193-R342 HydrophobicContact CE1-CG 4.16Å; D195-R342 IonicContact OD1-NH1 3.23Å; D195-R342 PolarHBondContact OD1-NH1 2.94Å; D195-R342 VanDerWaalsContact OD1-NH1 3.16Å; D195-R342 IonicContact OD2-CZ 2.72Å; D195-R342 IonicContact OD2-NH1 3.84Å; D195-R342 PolarHBondContact OD2-NH1 2.76Å; D195-R342 IonicContact OD2-NH2 3.83Å; D195-R342 PolarHBondContact OD2-NH2 2.85Å; K197-R342 VanDerWaalsContact CE-CZ 3.49Å; K338-R342 WeakPolarHBondContact O-CB 3.28Å; K338-R342 PolarHBondContact O-N 3.31Å; S339-R342 WeakPolarHBondContact O-CB 3.4Å; S339-R342 PolarHBondContact O-N 3.12Å; C340-R342 VanDerWaalsContact C-N 3.27Å; C340-R342 PolarHBondContact O-N 3.09Å; R342-S344 VanDerWaalsContact C-N 3.33Å; R342-S344 PolarHBondContact O-N 3.45Å; R342-L345 PolarHBondContact O-N 3.29Å; R342-D346 IonicContact CZ-OD1 3.72Å; R342-D346 IonicContact CZ-OD2 2.64Å; R342-D346 VanDerWaalsContact NE-CG 3.28Å; R342-D346 IonicContact NE-OD1 3.06Å; R342-D346 PolarHBondContact NE-OD1 2.99Å; R342-D346 IonicContact NE-OD2 3.78Å; R342-D346 PolarHBondContact NE-OD2 2.9Å; R342-D346 IonicContact NH2-OD1 2.76Å; R342-D346 IonicContact NH2-OD2 3.21Å; R342-D346 PolarHBondContact NH2-OD2 2.88Å; R342-D346 PolarHBondContact O-N 3.03Å
343L88.5Confident83.4Confident98 Ų9854.8 Ų54.851%0.51330%0.301SS..Hα-helixtrans-57.5-47.8178.2-72.4169.8000110.8S339 C340 L345 D346 E347S339-L343 WeakPolarHBondContact O-CG 3.34Å; S339-L343 PolarHBondContact O-N 3.48Å; C340-L343 PolarHBondContact O-N 2.91Å; L343-L345 VanDerWaalsContact C-N 3.33Å; L343-L345 PolarHBondContact O-N 3.35Å; L343-D346 PolarHBondContact O-N 3.27Å; L343-E347 WeakPolarHBondContact O-CB 3.15Å; L343-E347 WeakPolarHBondContact O-CG 3.39Å; L343-E347 PolarHBondContact O-N 3.31Å
344S86.1Confident82.4Confident0 Ų055.7 Ų55.70%031%0.31CS..Hα-helixtrans-64.6-36.2-177.9-174.90000113.2Q230 R321 C340 I341 R342 Y348Q230-S344 PolarHBondContact NE2-OG 3.42Å; R321-S344 PolarHBondContact NH1-O 2.89Å; R321-S344 PolarHBondContact NH1-OG 2.87Å; C340-S344 WeakPolarHBondContact O-CB 3.38Å; C340-S344 PolarHBondContact O-N 3.37Å; I341-S344 PolarHBondContact O-N 3.46Å; R342-S344 VanDerWaalsContact C-N 3.33Å; R342-S344 PolarHBondContact O-N 3.45Å; S344-Y348 WeakPolarHBondContact O-CB 3.29Å; S344-Y348 PolarHBondContact O-N 3.03Å
345L83.3Confident81.1Confident17 Ų1757.5 Ų57.59%0.08933%0.326CS..Hα-helixtrans-72.6-38.8177-77.9176.7000112.3D151 L152 I199 K229 Q230 I341 R342 L343 Y348 A349D151-L345 HydrophobicContact CB-CD1 4.24Å; L152-L345 HydrophobicContact CD1-CD1 3.72Å; L152-L345 HydrophobicContact CG-CD1 4.49Å; I199-L345 HydrophobicContact CD1-CD1 3.73Å; I199-L345 HydrophobicContact CG1-CD1 4.44Å; I199-L345 HydrophobicContact CG2-CD1 3.65Å; K229-L345 HydrophobicContact CB-CD2 4.17Å; K229-L345 HydrophobicContact CD-CD2 4.49Å; Q230-L345 HydrophobicContact CB-CD2 4.12Å; I341-L345 HydrophobicContact CG2-CD1 4.16Å; I341-L345 WeakPolarHBondContact O-CG 3.49Å; I341-L345 PolarHBondContact O-N 3.32Å; I341-L345 VanDerWaalsContact O-N 3.08Å; R342-L345 PolarHBondContact O-N 3.29Å; L343-L345 VanDerWaalsContact C-N 3.33Å; L343-L345 PolarHBondContact O-N 3.35Å; L345-Y348 PolarHBondContact O-N 2.79Å; L345-A349 WeakPolarHBondContact O-CB 3.3Å; L345-A349 PolarHBondContact O-N 2.87Å
346D84.1Confident79.5Confident58 Ų5855.5 Ų55.531%0.3132%0.318SS..Hα-helixtrans-68.3-42.1178.1-76-6.7000111.5K197 R342 L343 Y348 A349 A350K197-D346 IonicContact NZ-OD1 2.83Å; K197-D346 PolarHBondContact NZ-OD1 3.43Å; R342-D346 IonicContact CZ-OD1 3.72Å; R342-D346 IonicContact CZ-OD2 2.64Å; R342-D346 VanDerWaalsContact NE-CG 3.28Å; R342-D346 IonicContact NE-OD1 3.06Å; R342-D346 PolarHBondContact NE-OD1 2.99Å; R342-D346 IonicContact NE-OD2 3.78Å; R342-D346 PolarHBondContact NE-OD2 2.9Å; R342-D346 IonicContact NH2-OD1 2.76Å; R342-D346 IonicContact NH2-OD2 3.21Å; R342-D346 PolarHBondContact NH2-OD2 2.88Å; R342-D346 PolarHBondContact O-N 3.03Å; L343-D346 PolarHBondContact O-N 3.27Å; D346-Y348 VanDerWaalsContact C-N 3.3Å; D346-Y348 PolarHBondContact O-N 3.47Å; D346-A349 PolarHBondContact O-N 2.96Å; D346-A350 WeakPolarHBondContact O-CB 3.44Å; D346-A350 PolarHBondContact O-N 2.72Å
347E81.1Confident78.2Confident88 Ų8855.6 Ų55.641%0.41132%0.319SS..Hα-helixtrans-58.9-43.1172.4-75.9177.617900111.9R321 L343 A350 M351R321-E347 IonicContact NH1-OE2 3.13Å; L343-E347 WeakPolarHBondContact O-CB 3.15Å; L343-E347 WeakPolarHBondContact O-CG 3.39Å; L343-E347 PolarHBondContact O-N 3.31Å; E347-A350 PolarHBondContact O-N 3.4Å; E347-M351 VanDerWaalsContact O-CG 3.31Å; E347-M351 WeakPolarHBondContact O-CG 3.5Å; E347-M351 PolarHBondContact O-N 3.45Å
348Y74.2Confident77.1Confident69 Ų6960.6 Ų60.627%0.27134%0.342SS..Hα-helixtrans-63.8-46.1178.5-171.6-100.9000111.4P274 S344 L345 D346 A350 M351 E352P274-Y348 HydrophobicContact CG-CD2 4.01Å; P274-Y348 HydrophobicContact CG-CE2 4Å; S344-Y348 WeakPolarHBondContact O-CB 3.29Å; S344-Y348 PolarHBondContact O-N 3.03Å; L345-Y348 PolarHBondContact O-N 2.79Å; D346-Y348 VanDerWaalsContact C-N 3.3Å; D346-Y348 PolarHBondContact O-N 3.47Å; Y348-A350 VanDerWaalsContact C-N 3.3Å; Y348-A350 PolarHBondContact O-N 2.81Å; Y348-M351 PolarHBondContact O-N 2.85Å; Y348-E352 HydrophobicContact CD1-CG 4.34Å; Y348-E352 VanDerWaalsContact CE1-CD 3.44Å; Y348-E352 HydrophobicContact CE1-CG 4Å; Y348-E352 WeakPolarHBondContact CE1-OE1 3.22Å; Y348-E352 PolarHBondContact O-N 2.96Å; Y348-E352 PolarHBondContact OH-OE1 3.46Å
349A72.1Confident75.9Confident46 Ų4665.6 Ų65.638%0.3836%0.364SS..Hα-helixtrans-61.1-38.5175.900000112.3L345 D346 T353L345-A349 WeakPolarHBondContact O-CB 3.3Å; L345-A349 PolarHBondContact O-N 2.87Å; D346-A349 PolarHBondContact O-N 2.96Å; A349-T353 WeakPolarHBondContact O-CB 3.42Å; A349-T353 PolarHBondContact O-N 2.9Å; A349-T353 PolarHBondContact O-OG1 3.44Å
350A75.7Confident74.8Confident63 Ų6369.1 Ų69.152%0.52137%0.37SS..Hα-helixtrans-65.6-43.8175.900000112D346 E347 Y348 T353 G354D346-A350 WeakPolarHBondContact O-CB 3.44Å; D346-A350 PolarHBondContact O-N 2.72Å; E347-A350 PolarHBondContact O-N 3.4Å; Y348-A350 VanDerWaalsContact C-N 3.3Å; Y348-A350 PolarHBondContact O-N 2.81Å; A350-T353 PolarHBondContact O-N 2.82Å; A350-G354 PolarHBondContact O-N 3.33Å
351M72.1Confident73.9Confident114 Ų11472.1 Ų72.156%0.56239%0.386SS*.Hα-helixtrans-61.6-44176.2-72.7-178.7-17500112E347 Y348 G354 A355E347-M351 VanDerWaalsContact O-CG 3.31Å; E347-M351 WeakPolarHBondContact O-CG 3.5Å; E347-M351 PolarHBondContact O-N 3.45Å; Y348-M351 PolarHBondContact O-N 2.85Å; M351-G354 PolarHBondContact O-N 2.91Å; M351-A355 WeakPolarHBondContact O-CB 3.47Å; M351-A355 PolarHBondContact O-N 2.94Å
352E66Low73.2Confident89 Ų8977.4 Ų77.442%0.41641%0.41SS..Hα-helixtrans-62.7-43.8176.7-75.6-169.4146.200112.2Y348 A355 T356Y348-E352 HydrophobicContact CD1-CG 4.34Å; Y348-E352 VanDerWaalsContact CE1-CD 3.44Å; Y348-E352 HydrophobicContact CE1-CG 4Å; Y348-E352 WeakPolarHBondContact CE1-OE1 3.22Å; Y348-E352 PolarHBondContact O-N 2.96Å; Y348-E352 PolarHBondContact OH-OE1 3.46Å; E352-A355 PolarHBondContact O-N 2.94Å; E352-T356 WeakPolarHBondContact O-CB 3.45Å; E352-T356 PolarHBondContact O-N 3.03Å; E352-T356 PolarHBondContact O-OG1 3.41Å
353T65.9Low72.6Confident96 Ų9677.8 Ų77.859%0.58942%0.422SS*.Hα-helixtrans-63.8-45179-55.20000110.7A349 A350 T356 H357A349-T353 WeakPolarHBondContact O-CB 3.42Å; A349-T353 PolarHBondContact O-N 2.9Å; A349-T353 PolarHBondContact O-OG1 3.44Å; A350-T353 PolarHBondContact O-N 2.82Å; T353-T356 PolarHBondContact O-N 2.88Å; T353-H357 WeakPolarHBondContact O-CB 3.12Å; T353-H357 PolarHBondContact O-N 2.94Å
354G67.3Low72Confident39 Ų3978.2 Ų78.240%0.40242%0.424SS..Hα-helixtrans-62-47.1176.300000112.8A350 M351 T356 H357 Q358A350-G354 PolarHBondContact O-N 3.33Å; M351-G354 PolarHBondContact O-N 2.91Å; G354-T356 VanDerWaalsContact C-N 3.3Å; G354-T356 PolarHBondContact O-N 3.5Å; G354-H357 PolarHBondContact O-N 3.43Å; G354-Q358 WeakPolarHBondContact O-CB 3.47Å; G354-Q358 PolarHBondContact O-N 3.33Å
355A62Low71.7Confident47 Ų4786.1 Ų86.139%0.38845%0.454SS..Hα-helixtrans-62.3-38.2177.600000112.2M351 E352 K359M351-A355 WeakPolarHBondContact O-CB 3.47Å; M351-A355 PolarHBondContact O-N 2.94Å; E352-A355 PolarHBondContact O-N 2.94Å; A355-K359 WeakPolarHBondContact O-CB 3.3Å; A355-K359 WeakPolarHBondContact O-CG 3.33Å; A355-K359 PolarHBondContact O-N 2.89Å
356T57.3Low71.3Confident77 Ų7791.6 Ų91.647%0.47248%0.479SS..Hα-helixtrans-68.5-42.8176.8-560000111.3E352 T353 G354 K359 K360E352-T356 WeakPolarHBondContact O-CB 3.45Å; E352-T356 PolarHBondContact O-N 3.03Å; E352-T356 PolarHBondContact O-OG1 3.41Å; T353-T356 PolarHBondContact O-N 2.88Å; G354-T356 VanDerWaalsContact C-N 3.3Å; G354-T356 PolarHBondContact O-N 3.5Å; T356-K359 PolarHBondContact O-N 2.93Å; T356-K360 PolarHBondContact O-N 3.19Å
357H64.1Low70.8Confident119 Ų11994.8 Ų94.855%0.55149%0.492SS*.Hα-helixtrans-62.2-45176.4-174.375000111.6T353 G354 K359 K360 L361T353-H357 WeakPolarHBondContact O-CB 3.12Å; T353-H357 PolarHBondContact O-N 2.94Å; G354-H357 PolarHBondContact O-N 3.43Å; H357-K359 PolarHBondContact O-N 3.33Å; H357-K360 WeakPolarHBondContact O-CB 3.3Å; H357-K360 PolarHBondContact O-N 3.19Å; H357-L361 WeakPolarHBondContact NE2-CD1 3.41Å; H357-L361 PolarHBondContact O-N 2.89Å
358Q68.1Low70.3Confident105 Ų10593.1 Ų93.149%0.49149%0.49SS..Hα-helixtrans-65.9-39.8179.2-158.6177.318.900112.4G354 L361 Q362G354-Q358 WeakPolarHBondContact O-CB 3.47Å; G354-Q358 PolarHBondContact O-N 3.33Å; Q358-L361 PolarHBondContact O-N 3.12Å; Q358-Q362 WeakPolarHBondContact O-CG 3.48Å; Q358-Q362 PolarHBondContact O-N 3.43Å
359K66.3Low70.1Confident140 Ų14096.2 Ų96.261%0.60951%0.507SS*.Hα-helixtrans-61.9-41.3172.5-77.7175.9-175.6169.80112.2A355 T356 H357 Q362 A363A355-K359 WeakPolarHBondContact O-CB 3.3Å; A355-K359 WeakPolarHBondContact O-CG 3.33Å; A355-K359 PolarHBondContact O-N 2.89Å; T356-K359 PolarHBondContact O-N 2.93Å; H357-K359 PolarHBondContact O-N 3.33Å; K359-Q362 PolarHBondContact O-N 3.02Å; K359-A363 WeakPolarHBondContact O-CB 3.33Å; K359-A363 PolarHBondContact O-N 3.01Å
360K67.3Low69.9Low141 Ų141100.1 Ų100.161%0.61352%0.517SS*.Hα-helixtrans-62.7-45.1174.6-87.3-179.2176.3176.30111.7T356 H357 Q362 A363 L364T356-K360 PolarHBondContact O-N 3.19Å; H357-K360 WeakPolarHBondContact O-CB 3.3Å; H357-K360 PolarHBondContact O-N 3.19Å; K360-Q362 VanDerWaalsContact C-N 3.34Å; K360-Q362 PolarHBondContact O-N 3.2Å; K360-A363 PolarHBondContact O-N 2.96Å; K360-L364 WeakPolarHBondContact O-CG 3.21Å; K360-L364 PolarHBondContact O-N 2.82Å
361L72.3Confident69.1Low69 Ų69100.7 Ų100.736%0.36152%0.516SS..Hα-helixtrans-60.2-42.6176.1-81.4165.2000112.1H357 Q358 L364 R365H357-L361 WeakPolarHBondContact NE2-CD1 3.41Å; H357-L361 PolarHBondContact O-N 2.89Å; Q358-L361 PolarHBondContact O-N 3.12Å; L361-L364 PolarHBondContact O-N 2.82Å; L361-R365 WeakPolarHBondContact O-CB 3.37Å; L361-R365 WeakPolarHBondContact O-CG 3.22Å; L361-R365 PolarHBondContact O-N 2.89Å
362Q75.7Confident68.4Low111 Ų111101.4 Ų101.452%0.51952%0.517SS..Hα-helixtrans-65.1-42.8176.3-76.8-178.8-14.700112.3Q358 K359 K360 L364 R365 Q366Q358-Q362 WeakPolarHBondContact O-CG 3.48Å; Q358-Q362 PolarHBondContact O-N 3.43Å; K359-Q362 PolarHBondContact O-N 3.02Å; K360-Q362 VanDerWaalsContact C-N 3.34Å; K360-Q362 PolarHBondContact O-N 3.2Å; Q362-L364 PolarHBondContact O-N 2.83Å; Q362-R365 PolarHBondContact O-N 2.8Å; Q362-Q366 WeakPolarHBondContact O-CG 3.26Å; Q362-Q366 PolarHBondContact O-N 2.82Å
363A75Confident68Low47 Ų47106.4 Ų106.439%0.38853%0.532SS..Hα-helixtrans-62.7-41.5176.600000112K359 K360 Q366 Q367K359-A363 WeakPolarHBondContact O-CB 3.33Å; K359-A363 PolarHBondContact O-N 3.01Å; K360-A363 PolarHBondContact O-N 2.96Å; A363-Q366 PolarHBondContact O-N 3.13Å; A363-Q367 WeakPolarHBondContact O-CG 3.39Å; A363-Q367 PolarHBondContact O-N 2.86Å
364L76.4Confident67.4Low107 Ų107106.6 Ų106.656%0.5653%0.529SS*.Hα-helixtrans-64.3-41.8175.3-73.1169.4000112K360 L361 Q362 Q366 Q367 S368K360-L364 WeakPolarHBondContact O-CG 3.21Å; K360-L364 PolarHBondContact O-N 2.82Å; L361-L364 PolarHBondContact O-N 2.82Å; Q362-L364 PolarHBondContact O-N 2.83Å; L364-Q366 VanDerWaalsContact C-N 3.35Å; L364-Q367 PolarHBondContact O-N 2.82Å; L364-S368 PolarHBondContact O-N 2.87Å; L364-S368 PolarHBondContact O-OG 3.43Å
365R79.4Confident66.8Low166 Ų166110.4 Ų110.463%0.62654%0.537SS*.Hα-helixtrans-63.7-38.8175.3-75176.9179.4-177.1-0.1112.3L361 Q362 S368 H369L361-R365 WeakPolarHBondContact O-CB 3.37Å; L361-R365 WeakPolarHBondContact O-CG 3.22Å; L361-R365 PolarHBondContact O-N 2.89Å; Q362-R365 PolarHBondContact O-N 2.8Å; R365-S368 WeakPolarHBondContact CA-OG 3.33Å; R365-S368 PolarHBondContact O-N 3.01Å; R365-S368 PolarHBondContact O-OG 2.85Å; R365-H369 PolarHBondContact O-CD2 3.18Å; R365-H369 PolarHBondContact O-N 3.3Å
366Q75.1Confident66.4Low133 Ų133112.9 Ų112.962%0.62154%0.543SS*.Hα-helixtrans-66.4-43.2175.2-76.4177.5-20.900111.5Q362 A363 L364 S368 H369 E370Q362-Q366 WeakPolarHBondContact O-CG 3.26Å; Q362-Q366 PolarHBondContact O-N 2.82Å; A363-Q366 PolarHBondContact O-N 3.13Å; L364-Q366 VanDerWaalsContact C-N 3.35Å; Q366-S368 PolarHBondContact O-N 2.78Å; Q366-H369 PolarHBondContact O-N 3.37Å; Q366-E370 PolarHBondContact O-N 3.18Å
367Q74.3Confident66.1Low125 Ų125116.4 Ų116.458%0.58455%0.552SS**Hα-helixtrans-62.4-40.7174.6-77.3-179-17.200112.6A363 L364 E370 C371A363-Q367 WeakPolarHBondContact O-CG 3.39Å; A363-Q367 PolarHBondContact O-N 2.86Å; L364-Q367 PolarHBondContact O-N 2.82Å; Q367-E370 PolarHBondContact O-N 3.34Å; Q367-C371 WeakPolarHBondContact O-CB 3.46Å; Q367-C371 PolarHBondContact O-N 2.88Å
368S69.4Low65.5Low53 Ų53115.2 Ų115.237%0.37155%0.553SS.*Hα-helixtrans-64-41.917560.10000111.6L364 R365 Q366 E370 C371 F372L364-S368 PolarHBondContact O-N 2.87Å; L364-S368 PolarHBondContact O-OG 3.43Å; R365-S368 WeakPolarHBondContact CA-OG 3.33Å; R365-S368 PolarHBondContact O-N 3.01Å; R365-S368 PolarHBondContact O-OG 2.85Å; Q366-S368 PolarHBondContact O-N 2.78Å; S368-E370 PolarHBondContact O-N 3.14Å; S368-C371 WeakPolarHBondContact O-CB 3.29Å; S368-C371 PolarHBondContact O-N 2.77Å; S368-F372 WeakPolarHBondContact O-CD2 3.49Å; S368-F372 PolarHBondContact O-N 2.8Å
369H70.8Confident64.7Low133 Ų133113.5 Ų113.562%0.61655%0.552SS**Hα-helixtrans-66-35176.9-80.3-60000113.4R365 Q366 R373R365-H369 PolarHBondContact O-CD2 3.18Å; R365-H369 PolarHBondContact O-N 3.3Å; Q366-H369 PolarHBondContact O-N 3.37Å; H369-R373 PolarHBondContact O-N 3.03Å; H369-R373 VanDerWaalsContact O-N 3.1Å
370E68.1Low63.9Low128 Ų128113.6 Ų113.660%0.59856%0.559SS**Hα-helixtrans-69.5-34.8172.8-76.1179172.600112.4Q366 Q367 S368 N374Q366-E370 PolarHBondContact O-N 3.18Å; Q367-E370 PolarHBondContact O-N 3.34Å; S368-E370 PolarHBondContact O-N 3.14Å; E370-N374 PolarHBondContact O-N 3.11Å; E370-N374 VanDerWaalsContact O-N 3.16Å; E370-N374 PolarHBondContact O-ND2 2.81Å
371C57.9Low63.2Low75 Ų75111.4 Ų111.451%0.50756%0.561SS.*Hα-helixtrans-65.5-48.4175.5-145.50000111.2Q367 S368 R373 N374 E375Q367-C371 WeakPolarHBondContact O-CB 3.46Å; Q367-C371 PolarHBondContact O-N 2.88Å; S368-C371 WeakPolarHBondContact O-CB 3.29Å; S368-C371 PolarHBondContact O-N 2.77Å; C371-R373 PolarHBondContact O-N 2.84Å; C371-N374 PolarHBondContact O-N 2.79Å; C371-N374 VanDerWaalsContact O-N 3.13Å; C371-E375 PolarHBondContact O-N 3.46Å
372F58.9Low62.1Low129 Ų129112.6 Ų112.657%0.56658%0.575SS**Hα-helixtrans-60.7-41.3175.2-88.1-76.6000112.9S368 N374 E375 D376S368-F372 WeakPolarHBondContact O-CD2 3.49Å; S368-F372 PolarHBondContact O-N 2.8Å; F372-N374 VanDerWaalsContact C-N 3.26Å; F372-N374 PolarHBondContact O-N 2.78Å; F372-E375 PolarHBondContact O-N 2.85Å; F372-D376 PolarHBondContact O-N 2.82Å
373R55.9Low60.8Low194 Ų194110.3 Ų110.373%0.73258%0.582SS**Hα-helixtrans-63.6-28.9175.5-97.7-174.3180-178.31114H369 C371 K377H369-R373 PolarHBondContact O-N 3.03Å; H369-R373 VanDerWaalsContact O-N 3.1Å; C371-R373 PolarHBondContact O-N 2.84Å; R373-K377 PolarHBondContact O-N 2.95Å
374N55Low59.6Low100 Ų100114.9 Ų114.954%0.53561%0.605SS.*Hα-helixtrans-81.4-33.7177.6-76.1-25.8000111.5E370 C371 F372 K377 V378E370-N374 PolarHBondContact O-N 3.11Å; E370-N374 VanDerWaalsContact O-N 3.16Å; E370-N374 PolarHBondContact O-ND2 2.81Å; C371-N374 PolarHBondContact O-N 2.79Å; C371-N374 VanDerWaalsContact O-N 3.13Å; F372-N374 VanDerWaalsContact C-N 3.26Å; F372-N374 PolarHBondContact O-N 2.78Å; N374-K377 PolarHBondContact O-N 3.41Å; N374-V378 WeakPolarHBondContact O-CG2 3.45Å; N374-V378 PolarHBondContact O-N 3.29Å; N374-V378 VanDerWaalsContact O-N 3.12Å
375E54.1Low58.3Low120 Ų120113.8 Ų113.856%0.56162%0.619SS**Hα-helixtrans-64.7-40.7172-71.8-174.316300112.2C371 F372 K377 V378 S379C371-E375 PolarHBondContact O-N 3.46Å; F372-E375 PolarHBondContact O-N 2.85Å; E375-K377 VanDerWaalsContact C-N 3.29Å; E375-K377 PolarHBondContact O-N 2.74Å; E375-V378 PolarHBondContact O-N 3.13Å; E375-S379 PolarHBondContact O-N 3.28Å; E375-S379 PolarHBondContact O-OG 2.89Å
376D52.5Low56.6Low98 Ų98109 Ų10952%0.52462%0.621SS.*Hα-helixtrans-64.9-30.4175.6-73-26.8000113F372 S379 L380F372-D376 PolarHBondContact O-N 2.82Å; D376-S379 WeakPolarHBondContact CA-OG 3.16Å; D376-S379 PolarHBondContact O-OG 3.25Å; D376-L380 WeakPolarHBondContact O-CD1 3.46Å; D376-L380 WeakPolarHBondContact O-CG 3.29Å; D376-L380 PolarHBondContact O-N 3.23Å
377K51.7Low55.1Low151 Ų151109.7 Ų109.766%0.65764%0.635SS**Hα-helixtrans-75.7-32.6174.3-80.1-177.8175.8-177.40112.9R373 N374 E375 S381R373-K377 PolarHBondContact O-N 2.95Å; N374-K377 PolarHBondContact O-N 3.41Å; E375-K377 VanDerWaalsContact C-N 3.29Å; E375-K377 PolarHBondContact O-N 2.74Å; K377-S381 PolarHBondContact O-N 2.94Å; K377-S381 PolarHBondContact O-OG 2.85Å
378V52.2Low53.6Low95 Ų95115.3 Ų115.358%0.57665%0.651SS**Hα-helixtrans-71.5-41.3176174.70000110.3N374 E375 L380 S381 S382N374-V378 WeakPolarHBondContact O-CG2 3.45Å; N374-V378 PolarHBondContact O-N 3.29Å; N374-V378 VanDerWaalsContact O-N 3.12Å; E375-V378 PolarHBondContact O-N 3.13Å; V378-L380 PolarHBondContact O-N 2.96Å; V378-S381 PolarHBondContact O-N 3.47Å; V378-S381 PolarHBondContact O-OG 3.13Å; V378-S382 PolarHBondContact O-N 3.16Å; V378-S382 PolarHBondContact O-OG 3.2Å
379S50.4Low52.2Low68 Ų68124.9 Ų124.948%0.47668%0.679SS.*Hα-helixtrans-66.9-33.2177.859.50000113.7E375 D376 S381 S382E375-S379 PolarHBondContact O-N 3.28Å; E375-S379 PolarHBondContact O-OG 2.89Å; D376-S379 WeakPolarHBondContact CA-OG 3.16Å; D376-S379 PolarHBondContact O-OG 3.25Å; S379-S381 VanDerWaalsContact C-N 3.32Å; S379-S381 PolarHBondContact O-N 3.27Å; S379-S382 PolarHBondContact O-OG 3.43Å; S379-S382 VanDerWaalsContact O-OG 3.09Å
380L50.3Low50.8Low142 Ų142123.1 Ų123.174%0.74369%0.687SS**Hα-helixtrans-71.8-20.3173.7-82161.1000114D376 V378D376-L380 WeakPolarHBondContact O-CD1 3.46Å; D376-L380 WeakPolarHBondContact O-CG 3.29Å; D376-L380 PolarHBondContact O-N 3.23Å; V378-L380 PolarHBondContact O-N 2.96Å
381S51Low49.7Very low95 Ų95123.5 Ų123.566%0.66470%0.698SS**Hα-helixtrans-92.5-15.5177.9630000114.1K377 V378 S379K377-S381 PolarHBondContact O-N 2.94Å; K377-S381 PolarHBondContact O-OG 2.85Å; V378-S381 PolarHBondContact O-N 3.47Å; V378-S381 PolarHBondContact O-OG 3.13Å; S379-S381 VanDerWaalsContact C-N 3.32Å; S379-S381 PolarHBondContact O-N 3.27Å
382S50.3Low49Very low94 Ų94129.3 Ų129.366%0.65774%0.74SS**SBendtrans-90.10.1176.349.70000114.8V378 S379V378-S382 PolarHBondContact O-N 3.16Å; V378-S382 PolarHBondContact O-OG 3.2Å; S379-S382 PolarHBondContact O-OG 3.43Å; S379-S382 VanDerWaalsContact O-OG 3.09Å
383G47.7Very low48.5Very low64 Ų64129.3 Ų129.366%0.6675%0.748SS**SBendtrans-92.91.2-17400000117.1
384V49.3Very low48.1Very low143 Ų143125.9 Ų125.987%0.86775%0.749SS**SBendtrans-117.977.6-177.4-170.70000110
385G49.7Very low47.7Very low83 Ų83127.3 Ų127.386%0.85676%0.761SS**  trans-174.471.918000000114.1
386G44.5Very low47.4Very low66 Ų66127.8 Ų127.868%0.6877%0.773SS**  trans156.194.8162.300000114.4
387T42.2Very low47.1Very low147 Ų147129.6 Ų129.690%0.90279%0.788SS**  166.1101.6116.638.90000109.9
388R43.5Very low46.7Very low244 Ų244128.2 Ų128.292%0.92180%0.797SS**  trans-142.2111.8152-86.5-168.1-179.6-170.30.7107.8
389R40.1Very low46.4Very low254 Ų254130.6 Ų130.696%0.95881%0.813SS**  trans166.1115.2132.7-94.4177-171.9-1682.7110.4
390A41.1Very low46Very low95 Ų95135.4 Ų135.479%0.78584%0.839SS**  trans-170.3102.5133.700000108.4
391T45.3Very low45.7Very low137 Ų137134.8 Ų134.884%0.8485%0.847SS**  trans-162.1125.9144.843.50000109.2
392S43.6Very low45.2Very low196 Ų196138.5 Ų138.5100%1.37186%0.863SS**  trans540163.167.20000118.7

Retrieved 392 of 392 residues in 113.3 ms (Link to these results)

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