A0A096MTU2_PAPAN Loading...

Serine/threonine-protein kinase OSR1

AlphaFold DB (Q5R495), UniProt , Accession A0A096MTU2, Species PAPAN (Papio anubis, Olive baboon), Gene OXSR1, Length 527 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
1M41.6Very low71.1Confident238 Ų238103 Ų103100%1.17260%0.598SS**  0142.70-65.5168.8179.800107E3M1-E3 PolarHBondContact O-N 2.88Å
2S52Low73.2Confident121 Ų121104.3 Ų104.385%0.84660%0.598SS**  trans-81.598.9166.649.20000107.8D4S2-D4 PolarHBondContact O-N 3.28Å
3E54.4Low75Confident178 Ų178101.8 Ų101.883%0.83258%0.582SS**  trans-60.2134167.3-65.2177.6148.900108.4M1 S5M1-E3 PolarHBondContact O-N 2.88Å; E3-S5 PolarHBondContact O-N 3.14Å
4D60.3Low76.6Confident100 Ų100102.3 Ų102.354%0.53557%0.57SS.*  trans-71.2103.4-177.317536.3000109.7S2 S6 A7S2-D4 PolarHBondContact O-N 3.28Å; D4-S6 PolarHBondContact O-N 2.95Å; D4-S6 VanDerWaalsContact O-N 3.08Å; D4-S6 VanDerWaalsContact OD1-CB 3.3Å; D4-S6 WeakPolarHBondContact OD1-CB 3.25Å; D4-S6 PolarHBondContact OD1-N 2.72Å; D4-S6 PolarHBondContact OD1-OG 2.63Å; D4-S6 VanDerWaalsContact OD2-CB 3.29Å; D4-S6 WeakPolarHBondContact OD2-CB 3.46Å; D4-S6 PolarHBondContact OD2-OG 3.34Å; D4-A7 WeakPolarHBondContact O-CB 3.34Å; D4-A7 PolarHBondContact O-N 3.04Å
5S61.1Low78Confident44 Ų44103.1 Ų103.131%0.30857%0.572SS.*THydrogen-bonded Turntrans-63.9-15.8-17853.90000112.7E3 A7 K39E3-S5 PolarHBondContact O-N 3.14Å; S5-A7 VanDerWaalsContact C-N 3.31Å; S5-A7 PolarHBondContact O-N 2.99Å; S5-K39 WeakPolarHBondContact O-CD 3.11Å; S5-K39 WeakPolarHBondContact O-CE 3.33Å; S5-K39 PolarHBondContact O-NZ 3.07Å
6S69.5Low79.2Confident86 Ų8699.4 Ų99.460%0.60155%0.551SS**THydrogen-bonded Turntrans-57.6-42.8169-35.70000111.8D4 L8 K39D4-S6 PolarHBondContact O-N 2.95Å; D4-S6 VanDerWaalsContact O-N 3.08Å; D4-S6 VanDerWaalsContact OD1-CB 3.3Å; D4-S6 WeakPolarHBondContact OD1-CB 3.25Å; D4-S6 PolarHBondContact OD1-N 2.72Å; D4-S6 PolarHBondContact OD1-OG 2.63Å; D4-S6 VanDerWaalsContact OD2-CB 3.29Å; D4-S6 WeakPolarHBondContact OD2-CB 3.46Å; D4-S6 PolarHBondContact OD2-OG 3.34Å; S6-L8 PolarHBondContact O-N 3.43Å; S6-K39 PolarHBondContact O-NZ 3.27Å
7A75.5Confident80.3Confident82 Ų8293.6 Ų93.668%0.67852%0.519SS*.SBendtrans-75.1-19.9-169.200000115.4D4 S5D4-A7 WeakPolarHBondContact O-CB 3.34Å; D4-A7 PolarHBondContact O-N 3.04Å; S5-A7 VanDerWaalsContact C-N 3.31Å; S5-A7 PolarHBondContact O-N 2.99Å
8L84.3Confident81.3Confident92 Ų9294.8 Ų94.848%0.48252%0.52SS..SBendtrans-69.8147.8176.1-68.5173.2000111.4S6 K39S6-L8 PolarHBondContact O-N 3.43Å; L8-K39 WeakPolarHBondContact O-CE 3.1Å; L8-K39 PolarHBondContact O-NZ 2.59Å
9P91.8Very high82.1Confident114 Ų11492.7 Ų92.774%0.7451%0.508SS*.PPolyproline II helixtrans-64.2158168.429.1-34.9000111.2
10W95.4Very high82.8Confident52 Ų5290.5 Ų90.520%0.19749%0.494CS..PPolyproline II helixtrans-71.9131.6169.8-75.999.8000110.5C36 K39 E41 V43 Y79 T80W10-C36 HydrophobicContact CZ3-CB 4.04Å; W10-K39 HydrophobicContact CD2-CD 4.38Å; W10-K39 HydrophobicContact CD2-CG 4.17Å; W10-K39 HydrophobicContact CE3-CD 4.43Å; W10-K39 HydrophobicContact CE3-CG 3.77Å; W10-K39 HydrophobicContact CH2-CB 4.04Å; W10-K39 HydrophobicContact CH2-CD 4.14Å; W10-K39 HydrophobicContact CH2-CG 3.87Å; W10-K39 HydrophobicContact CZ2-CD 4.09Å; W10-K39 HydrophobicContact CZ2-CG 4.27Å; W10-K39 HydrophobicContact CZ3-CB 3.9Å; W10-K39 HydrophobicContact CZ3-CD 4.33Å; W10-K39 HydrophobicContact CZ3-CG 3.61Å; W10-E41 HydrophobicContact CH2-CB 4.23Å; W10-E41 HydrophobicContact CH2-CG 4.46Å; W10-E41 WeakPolarHBondContact CH2-OE2 3.45Å; W10-V43 HydrophobicContact CH2-CG1 3.9Å; W10-V43 HydrophobicContact CZ3-CG1 3.71Å; W10-Y79 HydrophobicContact CD2-CD2 4.01Å; W10-Y79 AromaticContact CD2-CG 3.98Å; W10-Y79 HydrophobicContact CD2-CG 3.98Å; W10-Y79 AromaticContact CE2-CD1 3.98Å; W10-Y79 AromaticContact CE2-CD2 3.6Å; W10-Y79 AromaticContact CE2-CG 3.53Å; W10-Y79 HydrophobicContact CE3-CD2 4.05Å; W10-Y79 HydrophobicContact CE3-CG 4.44Å; W10-Y79 HydrophobicContact CG-CG 4.5Å; W10-Y79 AromaticContact CH2-CD2 3.39Å; W10-Y79 HydrophobicContact CH2-CD2 3.39Å; W10-Y79 AromaticContact CH2-CE2 3.35Å; W10-Y79 HydrophobicContact CH2-CE2 3.35Å; W10-Y79 HydrophobicContact CH2-CG 4.2Å; W10-Y79 HydrophobicContact CZ2-CD1 4.07Å; W10-Y79 AromaticContact CZ2-CD2 3.3Å; W10-Y79 HydrophobicContact CZ2-CD2 3.3Å; W10-Y79 HydrophobicContact CZ2-CE1 4.08Å; W10-Y79 AromaticContact CZ2-CE2 3.31Å; W10-Y79 HydrophobicContact CZ2-CE2 3.31Å; W10-Y79 AromaticContact CZ2-CG 3.69Å; W10-Y79 HydrophobicContact CZ2-CG 3.69Å; W10-Y79 AromaticContact CZ2-CZ 3.71Å; W10-Y79 AromaticContact CZ3-CD2 3.75Å; W10-Y79 HydrophobicContact CZ3-CD2 3.75Å; W10-Y79 HydrophobicContact CZ3-CE2 4.13Å; W10-Y79 AromaticContact NE1-CD1 3.86Å; W10-Y79 AromaticContact NE1-CG 3.75Å; W10-T80 HydrophobicContact CB-CG2 3.74Å
11S96.1Very high83.1Confident26 Ų2688.5 Ų88.518%0.18248%0.481CS..PPolyproline II helixtrans-69.3143.1-174.5-171.80000112.2N13 D16 Y17 T80S11-N13 PolarHBondContact OG-N 2.9Å; S11-N13 VanDerWaalsContact OG-N 3.07Å; S11-D16 VanDerWaalsContact CB-OD2 3.26Å; S11-D16 WeakPolarHBondContact CB-OD2 3.38Å; S11-D16 PolarHBondContact OG-OD2 3.47Å; S11-Y17 VanDerWaalsContact O-CE2 3.3Å; S11-Y17 WeakPolarHBondContact O-CE2 3.38Å; S11-Y17 PolarHBondContact O-OH 3.36Å; S11-T80 WeakPolarHBondContact O-CG2 2.99Å
12I96.3Very high85.4Confident118 Ų11879.4 Ų79.461%0.60544%0.439SS*.  trans-102.84.9169.455.8163.4000112.7F82I12-F82 HydrophobicContact CB-CB 4.17Å; I12-F82 HydrophobicContact CB-CD1 4.25Å; I12-F82 HydrophobicContact CB-CG 4.44Å; I12-F82 HydrophobicContact CG2-CB 4.43Å; I12-F82 HydrophobicContact CG2-CD1 4.33Å
13N96.9Very high87Confident73 Ų7375.6 Ų75.639%0.3941%0.409SS..  trans-86.5125172.7176.818.9000110S11 D15 D16 Y17S11-N13 PolarHBondContact OG-N 2.9Å; S11-N13 VanDerWaalsContact OG-N 3.07Å; N13-D15 PolarHBondContact O-N 3.24Å; N13-D15 PolarHBondContact OD1-N 2.87Å; N13-D15 VanDerWaalsContact OD1-N 3.11Å; N13-D16 PolarHBondContact O-N 2.62Å; N13-Y17 WeakPolarHBondContact O-CD2 3.07Å
14R97.1Very high88.1Confident108 Ų10868.2 Ų68.241%0.40838%0.38SS..G310 helixtrans-56.5-34.4176.7175.6-90.3158.9-153.6-9.2112.8D16 Y17 F82 V84 W89R14-D16 PolarHBondContact O-N 3.35Å; R14-Y17 PolarHBondContact O-N 3.07Å; R14-F82 HydrophobicContact CB-CE2 4.19Å; R14-V84 HydrophobicContact CB-CG2 3.99Å; R14-V84 HydrophobicContact CG-CG1 3.98Å; R14-V84 HydrophobicContact CG-CG2 4.01Å; R14-W89 HydrophobicContact CG-CH2 3.97Å; R14-W89 HydrophobicContact CG-CZ3 4.09Å
15D97.3Very high88.8Confident114 Ų11467.5 Ų67.561%0.6138%0.383SS*.G310 helixtrans-75.8-11.7-173.2-64.7-31000113.5N13 Y17N13-D15 PolarHBondContact O-N 3.24Å; N13-D15 PolarHBondContact OD1-N 2.87Å; N13-D15 VanDerWaalsContact OD1-N 3.11Å; D15-Y17 PolarHBondContact O-N 3.14Å
16D97.9Very high89.1Confident44 Ų4467.7 Ų67.724%0.23539%0.392CS..G310 helixtrans-78.1-4.4171.1-71.4-41.2000113.5S11 N13 R14 C36 A37 P38S11-D16 VanDerWaalsContact CB-OD2 3.26Å; S11-D16 WeakPolarHBondContact CB-OD2 3.38Å; S11-D16 PolarHBondContact OG-OD2 3.47Å; N13-D16 PolarHBondContact O-N 2.62Å; R14-D16 PolarHBondContact O-N 3.35Å; D16-C36 CarbonylContact O-C 3.51Å; D16-C36 WeakPolarHBondContact O-CA 3.16Å; D16-A37 PolarHBondContact O-N 2.91Å; D16-P38 HydrophobicContact CB-CG 3.86Å; D16-P38 WeakPolarHBondContact OD1-CG 3.48Å
17Y98.2Very high88.7Confident1 Ų164.8 Ų64.80%0.00437%0.373CS..EExtended strand (participates in β ladder)trans-119102.6-176.1-63.4-87.8000112.1S11 N13 R14 D15 L19 Y35 C36 V43 I45 F82 V91S11-Y17 VanDerWaalsContact O-CE2 3.3Å; S11-Y17 WeakPolarHBondContact O-CE2 3.38Å; S11-Y17 PolarHBondContact O-OH 3.36Å; N13-Y17 WeakPolarHBondContact O-CD2 3.07Å; R14-Y17 PolarHBondContact O-N 3.07Å; D15-Y17 PolarHBondContact O-N 3.14Å; Y17-L19 PolarHBondContact O-N 2.91Å; Y17-Y35 WeakPolarHBondContact CA-O 3.47Å; Y17-C36 HydrophobicContact CD1-CB 3.82Å; Y17-C36 HydrophobicContact CE1-CB 3.62Å; Y17-C36 WeakPolarHBondContact CE1-SG 3.46Å; Y17-V43 HydrophobicContact CD1-CG2 4.1Å; Y17-V43 HydrophobicContact CE1-CG2 4.22Å; Y17-I45 HydrophobicContact CD1-CD1 3.84Å; Y17-I45 HydrophobicContact CG-CD1 4.01Å; Y17-F82 HydrophobicContact CD2-CE1 4.14Å; Y17-F82 AromaticContact CD2-CZ 3.64Å; Y17-F82 HydrophobicContact CD2-CZ 3.64Å; Y17-F82 AromaticContact CE2-CE1 3.57Å; Y17-F82 HydrophobicContact CE2-CE1 3.57Å; Y17-F82 AromaticContact CE2-CZ 3.57Å; Y17-F82 HydrophobicContact CE2-CZ 3.57Å; Y17-F82 HydrophobicContact CG-CZ 4.49Å; Y17-V91 HydrophobicContact CE1-CG1 3.81Å; Y17-V91 HydrophobicContact CE1-CG2 4.1Å
18E98Very high88.3Confident116 Ų11663.8 Ų63.854%0.54236%0.359SS..EExtended strand (participates in β ladder)trans-75.4110.5171.8-173.8-162.311600109.4Q20 A34 Y35E18-Q20 PolarHBondContact OE1-NE2 2.85Å; E18-A34 CarbonylContact O-C 3.53Å; E18-A34 WeakPolarHBondContact O-CA 3.14Å; E18-A34 WeakPolarHBondContact O-CB 3.42Å; E18-Y35 PolarHBondContact N-O 2.75Å; E18-Y35 PolarHBondContact O-N 3.48Å
19L96.8Very high88.2Confident55 Ų5560.1 Ų60.129%0.28834%0.342SS..EExtended strand (participates in β ladder)trans-72.4131.1177.8-68.9-176.8000111.7Y17 Q32 A34 I45 W89Y17-L19 PolarHBondContact O-N 2.91Å; L19-Q32 HydrophobicContact CD2-CG 4.48Å; L19-A34 HydrophobicContact CD2-CB 4.12Å; L19-I45 HydrophobicContact CD2-CD1 4.13Å; L19-W89 HydrophobicContact CD1-CH2 3.76Å; L19-W89 HydrophobicContact CD1-CZ2 4.12Å; L19-W89 HydrophobicContact CD2-CH2 3.88Å; L19-W89 HydrophobicContact CD2-CZ3 4.06Å; L19-W89 HydrophobicContact CG-CH2 3.97Å
20Q94.6Very high88Confident47 Ų4756.1 Ų56.122%0.2232%0.315CS..EExtended strand (participates in β ladder)trans-116-143.7-177.7-56.3-169.8-25.300110.2E18 Q32 A33 K42E18-Q20 PolarHBondContact OE1-NE2 2.85Å; Q20-Q32 PolarHBondContact O-NE2 2.72Å; Q20-A33 WeakPolarHBondContact CA-O 3.38Å; Q20-A33 HydrophobicContact CB-CB 4.13Å; Q20-A33 PolarHBondContact N-O 3.18Å; Q20-K42 VanDerWaalsContact OE1-CE 3.23Å
21E90.4Very high87.8Confident50 Ų5055.6 Ų55.623%0.23432%0.318CS..EExtended strand (participates in β ladder)trans-63.5141.6-175.762.8-90.9-143.900114.3I23 Q32 A33 A315E21-I23 PolarHBondContact O-N 2.61Å; E21-Q32 WeakPolarHBondContact O-CG 3.47Å; E21-A33 HydrophobicContact CG-CB 4.14Å; E21-A33 PolarHBondContact O-N 3.41Å; E21-A315 HydrophobicContact CB-CB 4.27Å; E21-A315 HydrophobicContact CG-CB 4.3Å
22V89.7Confident87.7Confident46 Ų4655.4 Ų55.428%0.27931%0.314SS..EExtended strand (participates in β ladder)trans-73.8123.7168.5177.20000108.3V30 Q32 A315 V318V22-V30 HydrophobicContact CG1-CG1 3.71Å; V22-V30 HydrophobicContact CG2-CG1 4.26Å; V22-Q32 HydrophobicContact CG2-CG 4.08Å; V22-A315 WeakPolarHBondContact O-CB 3.35Å; V22-V318 HydrophobicContact CG1-CG1 3.86Å
23I86.2Confident87.6Confident42 Ų4249.8 Ų49.822%0.21529%0.285CS..EExtended strand (participates in β ladder)trans-88.3-37.8-177.5-52.4172.1000109.8E21 V31 A33 L94 I311E21-I23 PolarHBondContact O-N 2.61Å; I23-V31 HydrophobicContact CB-CG1 4.29Å; I23-V31 HydrophobicContact CD1-CG1 4.27Å; I23-V31 PolarHBondContact N-O 3.34Å; I23-A33 HydrophobicContact CD1-CB 4.07Å; I23-A33 HydrophobicContact CG1-CB 4.28Å; I23-L94 HydrophobicContact CD1-CD1 3.54Å; I23-I311 HydrophobicContact CD1-CD1 3.98Å; I23-I311 HydrophobicContact CG1-CD1 4.04Å; I23-I311 HydrophobicContact CG2-CD1 4.35Å; I23-I311 HydrophobicContact CG2-CG1 4.37Å
24G77.2Confident87.7Confident23 Ų2346.3 Ų46.324%0.23727%0.266CS..EExtended strand (participates in β ladder)trans-165.1159.7176.800000112.2V31G24-V31 PolarHBondContact N-O 2.84Å; G24-V31 VanDerWaalsContact N-O 3.16Å; G24-V31 PolarHBondContact O-N 3.01Å
25S74.4Confident87.7Confident85 Ų8544.8 Ų44.859%0.59426%0.261SS*.EExtended strand (participates in β ladder)trans-139.2132.5178.9-170.50000110
26G66.8Low87.7Confident47 Ų4739.4 Ų39.449%0.48523%0.232SC..  trans-117.4-171.8169.600000111.6A29G26-A29 PolarHBondContact N-O 3.05Å
27A61.7Low87.7Confident26 Ų2639.9 Ų39.922%0.21524%0.242CC..SBendtrans-64.3-41.9-179.100000113.3K52 S470 A471A27-K52 WeakPolarHBondContact O-CD 2.87Å; A27-K52 PolarHBondContact O-NZ 2.74Å; A27-S470 WeakPolarHBondContact CB-O 3.5Å; A27-A471 VanDerWaalsContact CB-C 3.42Å; A27-A471 WeakPolarHBondContact CB-O 3.28Å
28T67.7Low87.6Confident61 Ų6142.2 Ų42.237%0.37426%0.258SS..SBendtrans-102.5-20.6-173.350.20000114.4N49T28-N49 PolarHBondContact O-N 3.09Å
29A80.6Confident87.5Confident15 Ų1537.7 Ų37.712%0.12424%0.236CC..EExtended strand (participates in β ladder)trans-147.9151-171.200000114G26 K46 R47 I48G26-A29 PolarHBondContact N-O 3.05Å; A29-K46 HydrophobicContact CB-CG 4.23Å; A29-R47 CarbonylContact C-O 3.57Å; A29-R47 WeakPolarHBondContact CA-O 3.38Å; A29-I48 HydrophobicContact CB-CB 4.37Å; A29-I48 HydrophobicContact CB-CG1 3.91Å
30V88.1Confident87.4Confident30 Ų3042.2 Ų42.218%0.18225%0.254CS..EExtended strand (participates in β ladder)trans-117.1130.4173.4-176.10000109.2V22 K46 R47V22-V30 HydrophobicContact CG1-CG1 3.71Å; V22-V30 HydrophobicContact CG2-CG1 4.26Å; V30-K46 WeakPolarHBondContact O-CA 3.48Å; V30-R47 PolarHBondContact N-O 3.25Å; V30-R47 PolarHBondContact O-N 3.13Å
31V91.2Very high87.5Confident41 Ų4143 Ų4325%0.24826%0.258CS..EExtended strand (participates in β ladder)trans-100.8120.7172.9-177.10000108.4I23 G24 K46I23-V31 HydrophobicContact CB-CG1 4.29Å; I23-V31 HydrophobicContact CD1-CG1 4.27Å; I23-V31 PolarHBondContact N-O 3.34Å; G24-V31 PolarHBondContact N-O 2.84Å; G24-V31 VanDerWaalsContact N-O 3.16Å; G24-V31 PolarHBondContact O-N 3.01Å; V31-K46 HydrophobicContact CG2-CB 4.32Å; V31-K46 HydrophobicContact CG2-CD 4.23Å; V31-K46 HydrophobicContact CG2-CG 3.94Å
32Q93.9Very high87.8Confident22 Ų2245.5 Ų45.510%0.10327%0.267CS..EExtended strand (participates in β ladder)trans-132.9138.5-173-168.6164.50.600110.5L19 Q20 E21 V22 I45 R47L19-Q32 HydrophobicContact CD2-CG 4.48Å; Q20-Q32 PolarHBondContact O-NE2 2.72Å; E21-Q32 WeakPolarHBondContact O-CG 3.47Å; V22-Q32 HydrophobicContact CG2-CG 4.08Å; Q32-I45 PolarHBondContact N-O 2.66Å; Q32-I45 PolarHBondContact O-N 2.94Å; Q32-R47 VanDerWaalsContact OE1-NE 3.07Å
33A95.5Very high88.1Confident0 Ų043.3 Ų43.30%025%0.254CS..EExtended strand (participates in β ladder)trans-66.7146.8169.900000109.5Q20 E21 I23Q20-A33 WeakPolarHBondContact CA-O 3.38Å; Q20-A33 HydrophobicContact CB-CB 4.13Å; Q20-A33 PolarHBondContact N-O 3.18Å; E21-A33 HydrophobicContact CG-CB 4.14Å; E21-A33 PolarHBondContact O-N 3.41Å; I23-A33 HydrophobicContact CD1-CB 4.07Å; I23-A33 HydrophobicContact CG1-CB 4.28Å
34A97.7Very high88.6Confident0 Ų041.7 Ų41.70%025%0.247CC..EExtended strand (participates in β ladder)trans-146.8159.1171.200000111.2E18 L19 K42 V43 I45E18-A34 CarbonylContact O-C 3.53Å; E18-A34 WeakPolarHBondContact O-CA 3.14Å; E18-A34 WeakPolarHBondContact O-CB 3.42Å; L19-A34 HydrophobicContact CD2-CB 4.12Å; A34-K42 CarbonylContact O-C 3.6Å; A34-K42 WeakPolarHBondContact O-CA 3.45Å; A34-V43 HydrophobicContact CB-CG2 3.97Å; A34-V43 PolarHBondContact N-O 3Å; A34-V43 PolarHBondContact O-N 2.91Å; A34-I45 HydrophobicContact CB-CD1 3.54Å; A34-I45 HydrophobicContact CB-CG1 3.86Å
35Y98Very high89.5Confident76 Ų7640.6 Ų40.630%0.29824%0.236SC..EExtended strand (participates in β ladder)trans-107.5120.9169.8-177.3-111.1000109.7Y17 E18 A37 K40 K42Y17-Y35 WeakPolarHBondContact CA-O 3.47Å; E18-Y35 PolarHBondContact N-O 2.75Å; E18-Y35 PolarHBondContact O-N 3.48Å; Y35-A37 PolarHBondContact O-N 2.9Å; Y35-K40 VanDerWaalsContact CE2-C 3.44Å; Y35-K40 WeakPolarHBondContact CE2-O 3.49Å; Y35-K40 WeakPolarHBondContact OH-CA 3.29Å; Y35-K40 WeakPolarHBondContact OH-CB 3.45Å; Y35-K42 HydrophobicContact CD2-CG 4.22Å
36C98Very high90.4Very high0 Ų037.3 Ų37.30%021%0.211CC..EExtended strand (participates in β ladder)trans-88.7101.4177-1750000109.1W10 D16 Y17 K39 K40 E41 V43W10-C36 HydrophobicContact CZ3-CB 4.04Å; D16-C36 CarbonylContact O-C 3.51Å; D16-C36 WeakPolarHBondContact O-CA 3.16Å; Y17-C36 HydrophobicContact CD1-CB 3.82Å; Y17-C36 HydrophobicContact CE1-CB 3.62Å; Y17-C36 WeakPolarHBondContact CE1-SG 3.46Å; C36-K39 HydrophobicContact CB-CB 4.18Å; C36-K39 PolarHBondContact O-N 3.1Å; C36-K40 WeakPolarHBondContact O-CA 3.38Å; C36-K40 PolarHBondContact O-N 3.43Å; C36-E41 PolarHBondContact N-O 3.12Å; C36-V43 HydrophobicContact CB-CG1 4.39Å
37A96.8Very high91.6Very high54 Ų5436.9 Ų36.945%0.44620%0.195SC..THydrogen-bonded Turntrans-61.4-41-169.600000114.5D16 Y35 K39 K40D16-A37 PolarHBondContact O-N 2.91Å; Y35-A37 PolarHBondContact O-N 2.9Å; A37-K39 VanDerWaalsContact C-N 3.35Å; A37-K39 PolarHBondContact O-N 2.83Å; A37-K40 PolarHBondContact O-N 3Å
38P95.8Very high92.8Very high51 Ų5135.8 Ų35.833%0.33119%0.185SC..THydrogen-bonded Turntrans-64.7-35.6175.8-23.534.8000113.6D16D16-P38 HydrophobicContact CB-CG 3.86Å; D16-P38 WeakPolarHBondContact OD1-CG 3.48Å
39K95.8Very high93.6Very high20 Ų2034.1 Ų34.19%0.08717%0.174CC..THydrogen-bonded Turntrans-84.2-23.3179.9-77.8-79.9-179.8-175.10113.4S5 S6 L8 W10 C36 A37 E41S5-K39 WeakPolarHBondContact O-CD 3.11Å; S5-K39 WeakPolarHBondContact O-CE 3.33Å; S5-K39 PolarHBondContact O-NZ 3.07Å; S6-K39 PolarHBondContact O-NZ 3.27Å; L8-K39 WeakPolarHBondContact O-CE 3.1Å; L8-K39 PolarHBondContact O-NZ 2.59Å; W10-K39 HydrophobicContact CD2-CD 4.38Å; W10-K39 HydrophobicContact CD2-CG 4.17Å; W10-K39 HydrophobicContact CE3-CD 4.43Å; W10-K39 HydrophobicContact CE3-CG 3.77Å; W10-K39 HydrophobicContact CH2-CB 4.04Å; W10-K39 HydrophobicContact CH2-CD 4.14Å; W10-K39 HydrophobicContact CH2-CG 3.87Å; W10-K39 HydrophobicContact CZ2-CD 4.09Å; W10-K39 HydrophobicContact CZ2-CG 4.27Å; W10-K39 HydrophobicContact CZ3-CB 3.9Å; W10-K39 HydrophobicContact CZ3-CD 4.33Å; W10-K39 HydrophobicContact CZ3-CG 3.61Å; C36-K39 HydrophobicContact CB-CB 4.18Å; C36-K39 PolarHBondContact O-N 3.1Å; A37-K39 VanDerWaalsContact C-N 3.35Å; A37-K39 PolarHBondContact O-N 2.83Å; K39-E41 HydrophobicContact CB-CB 4.24Å; K39-E41 PolarHBondContact O-N 3.12Å
40K95.9Very high93.7Very high151 Ų15135.1 Ų35.166%0.65718%0.177SC*.THydrogen-bonded Turntrans61.227.5-172.1-56172.7-174.1167.20113.4Y35 C36 A37Y35-K40 VanDerWaalsContact CE2-C 3.44Å; Y35-K40 WeakPolarHBondContact CE2-O 3.49Å; Y35-K40 WeakPolarHBondContact OH-CA 3.29Å; Y35-K40 WeakPolarHBondContact OH-CB 3.45Å; C36-K40 WeakPolarHBondContact O-CA 3.38Å; C36-K40 PolarHBondContact O-N 3.43Å; A37-K40 PolarHBondContact O-N 3Å
41E95.9Very high93.2Very high64 Ų6441.1 Ų41.130%0.29920%0.203SC..EExtended strand (participates in β ladder)trans-113.2143.3-175.4-168.5178.5144.300111.2W10 C36 K39 Y79W10-E41 HydrophobicContact CH2-CB 4.23Å; W10-E41 HydrophobicContact CH2-CG 4.46Å; W10-E41 WeakPolarHBondContact CH2-OE2 3.45Å; C36-E41 PolarHBondContact N-O 3.12Å; K39-E41 HydrophobicContact CB-CB 4.24Å; K39-E41 PolarHBondContact O-N 3.12Å; E41-Y79 VanDerWaalsContact OE1-CE2 3.27Å; E41-Y79 WeakPolarHBondContact OE1-CE2 3.04Å; E41-Y79 PolarHBondContact OE1-OH 3.3Å
42K96.4Very high92.2Very high101 Ų10144.6 Ų44.644%0.43922%0.215SC..EExtended strand (participates in β ladder)trans-82.6125.9166-77.8-158.3177.8-143.10110.1Q20 A34 Y35 L94Q20-K42 VanDerWaalsContact OE1-CE 3.23Å; A34-K42 CarbonylContact O-C 3.6Å; A34-K42 WeakPolarHBondContact O-CA 3.45Å; Y35-K42 HydrophobicContact CD2-CG 4.22Å; K42-L94 HydrophobicContact CB-CD2 3.94Å; K42-L94 HydrophobicContact CD-CD2 4.36Å
43V97.2Very high90.8Very high0 Ų044.1 Ų44.10%021%0.213CC..EExtended strand (participates in β ladder)trans-119.9160.7-177.7-59.40000110.7W10 Y17 A34 C36 I45 Y79 V91W10-V43 HydrophobicContact CH2-CG1 3.9Å; W10-V43 HydrophobicContact CZ3-CG1 3.71Å; Y17-V43 HydrophobicContact CD1-CG2 4.1Å; Y17-V43 HydrophobicContact CE1-CG2 4.22Å; A34-V43 HydrophobicContact CB-CG2 3.97Å; A34-V43 PolarHBondContact N-O 3Å; A34-V43 PolarHBondContact O-N 2.91Å; C36-V43 HydrophobicContact CB-CG1 4.39Å; V43-I45 HydrophobicContact CG2-CD1 4.46Å; V43-I45 HydrophobicContact CG2-CG1 4.06Å; V43-Y79 HydrophobicContact CG1-CD2 4.04Å; V43-Y79 HydrophobicContact CG1-CE2 3.94Å; V43-V91 HydrophobicContact CB-CG1 4.01Å; V43-V91 HydrophobicContact CG1-CG1 4.22Å; V43-V91 HydrophobicContact CG2-CG1 3.93Å
44A96.2Very high89.4Confident8 Ų850.4 Ų50.47%0.06624%0.243CC..EExtended strand (participates in β ladder)trans-94.7137.3160.900000108.8M92 L94A44-M92 HydrophobicContact CB-CG 3.88Å; A44-M92 PolarHBondContact N-O 2.62Å; A44-M92 PolarHBondContact O-N 3.29Å; A44-L94 HydrophobicContact CB-CD1 4.06Å
45I96.3Very high87.9Confident0 Ų052.1 Ų52.10%025%0.253CS..EExtended strand (participates in β ladder)trans-116.9118.9170.8-53.8-173.5000107.9Y17 L19 Q32 A34 V43 R47 W89 L90 V91Y17-I45 HydrophobicContact CD1-CD1 3.84Å; Y17-I45 HydrophobicContact CG-CD1 4.01Å; L19-I45 HydrophobicContact CD2-CD1 4.13Å; Q32-I45 PolarHBondContact N-O 2.66Å; Q32-I45 PolarHBondContact O-N 2.94Å; A34-I45 HydrophobicContact CB-CD1 3.54Å; A34-I45 HydrophobicContact CB-CG1 3.86Å; V43-I45 HydrophobicContact CG2-CD1 4.46Å; V43-I45 HydrophobicContact CG2-CG1 4.06Å; I45-R47 HydrophobicContact CG2-CG 3.8Å; I45-W89 HydrophobicContact CD1-CE3 3.88Å; I45-W89 HydrophobicContact CD1-CZ3 3.98Å; I45-W89 HydrophobicContact CG2-CB 3.83Å; I45-W89 HydrophobicContact CG2-CD2 3.86Å; I45-W89 HydrophobicContact CG2-CE3 3.78Å; I45-W89 HydrophobicContact CG2-CG 3.91Å; I45-L90 WeakPolarHBondContact CA-O 3.36Å; I45-V91 HydrophobicContact CD1-CG2 4.47Å; I45-V91 HydrophobicContact CG1-CG2 4.36Å
46K92.9Very high86.6Confident17 Ų1750.6 Ų50.67%0.07425%0.254CS..EExtended strand (participates in β ladder)trans-93.1108.3170-170.4171.5-163.9179.60108.6A29 V30 V31 I48 L90 M92 D164 S168A29-K46 HydrophobicContact CB-CG 4.23Å; V30-K46 WeakPolarHBondContact O-CA 3.48Å; V31-K46 HydrophobicContact CG2-CB 4.32Å; V31-K46 HydrophobicContact CG2-CD 4.23Å; V31-K46 HydrophobicContact CG2-CG 3.94Å; K46-I48 HydrophobicContact CG-CG1 4.15Å; K46-L90 HydrophobicContact CB-CB 4.35Å; K46-L90 PolarHBondContact N-O 2.89Å; K46-L90 PolarHBondContact O-N 3.22Å; K46-M92 HydrophobicContact CB-CE 3.68Å; K46-D164 IonicContact NZ-OD1 2.71Å; K46-D164 PolarHBondContact NZ-OD1 3.27Å; K46-D164 IonicContact NZ-OD2 3.51Å; K46-D164 PolarHBondContact NZ-OD2 2.81Å; K46-S168 PolarHBondContact NZ-OG 2.67Å
47R92.4Very high85.5Confident38 Ų3853.9 Ų53.914%0.14327%0.27CS..EExtended strand (participates in β ladder)trans-95.2105.6-178-54.4-168.3-69.7103.60.4108.2A29 V30 Q32 I45 E87 W89A29-R47 CarbonylContact C-O 3.57Å; A29-R47 WeakPolarHBondContact CA-O 3.38Å; V30-R47 PolarHBondContact N-O 3.25Å; V30-R47 PolarHBondContact O-N 3.13Å; Q32-R47 VanDerWaalsContact OE1-NE 3.07Å; I45-R47 HydrophobicContact CG2-CG 3.8Å; R47-E87 WeakPolarHBondContact CD-OE2 3.47Å; R47-E87 IonicContact CZ-OE1 3.45Å; R47-E87 IonicContact CZ-OE2 3.7Å; R47-E87 IonicContact NH1-OE1 2.76Å; R47-E87 PolarHBondContact NH1-OE1 2.87Å; R47-E87 IonicContact NH1-OE2 3.59Å; R47-E87 PolarHBondContact NH1-OE2 3.42Å; R47-W89 VanDerWaalsContact CD-CZ2 3.48Å; R47-W89 HydrophobicContact CG-CD2 4.1Å; R47-W89 HydrophobicContact CG-CG 4.05Å; R47-W89 HydrophobicContact CG-CZ2 4.44Å
48I87Confident84.5Confident2 Ų256.8 Ų56.81%0.0128%0.278CS..EExtended strand (participates in β ladder)trans-102.4114.8-175.7-54.9178.1000108.1A29 K46 L50 C53 E87 L88 L90 V167 L171A29-I48 HydrophobicContact CB-CB 4.37Å; A29-I48 HydrophobicContact CB-CG1 3.91Å; K46-I48 HydrophobicContact CG-CG1 4.15Å; I48-L50 PolarHBondContact O-N 3.49Å; I48-C53 WeakPolarHBondContact CG2-SG 3.47Å; I48-E87 CarbonylContact O-C 3.59Å; I48-E87 VanDerWaalsContact O-CA 3.31Å; I48-E87 WeakPolarHBondContact O-CA 3.48Å; I48-L88 HydrophobicContact CB-CB 4.44Å; I48-L88 PolarHBondContact N-O 2.9Å; I48-L88 PolarHBondContact O-N 3.47Å; I48-L90 HydrophobicContact CD1-CD1 3.73Å; I48-L90 HydrophobicContact CD1-CG 4.19Å; I48-V167 HydrophobicContact CD1-CG1 3.7Å; I48-L171 HydrophobicContact CD1-CD1 4.45Å; I48-L171 HydrophobicContact CG2-CD1 4.02Å
49N84.8Confident83.5Confident26 Ų2656.5 Ų56.514%0.13927%0.272CS..EExtended strand (participates in β ladder)trans-72.5121.5175.7167.2-82.5000109.4T28 E51 K52 C53 D86T28-N49 PolarHBondContact O-N 3.09Å; N49-E51 PolarHBondContact OD1-N 2.98Å; N49-K52 HydrophobicContact CB-CD 4.35Å; N49-K52 VanDerWaalsContact OD1-CB 3.3Å; N49-K52 WeakPolarHBondContact OD1-CB 3.29Å; N49-K52 VanDerWaalsContact OD1-CG 3.22Å; N49-K52 WeakPolarHBondContact OD1-CG 3.46Å; N49-K52 PolarHBondContact OD1-N 3.31Å; N49-C53 PolarHBondContact O-SG 3.18Å; N49-D86 PolarHBondContact ND2-OD2 3.11Å
50L81.9Confident82.7Confident37 Ų3755.6 Ų55.619%0.19427%0.269CS..THydrogen-bonded Turntrans-71.7-36.7-170.8-70.1170.1000112.4I48 K52 C53 M57 L60 V83 D86 L88I48-L50 PolarHBondContact O-N 3.49Å; L50-K52 PolarHBondContact O-N 2.91Å; L50-C53 PolarHBondContact O-N 2.9Å; L50-C53 VanDerWaalsContact O-N 3.15Å; L50-M57 HydrophobicContact CD1-SD 3.91Å; L50-M57 HydrophobicContact CD2-SD 3.74Å; L50-M57 HydrophobicContact CG-SD 4.47Å; L50-L60 HydrophobicContact CD2-CD1 3.44Å; L50-L60 VanDerWaalsContact CD2-CD1 3.44Å; L50-V83 HydrophobicContact CD1-CG1 4.16Å; L50-V83 HydrophobicContact CD1-CG2 4.49Å; L50-D86 WeakPolarHBondContact CB-O 3.36Å; L50-D86 WeakPolarHBondContact CG-O 3.5Å; L50-D86 PolarHBondContact N-O 2.57Å; L50-L88 HydrophobicContact CD1-CB 4.41Å; L50-L88 HydrophobicContact CD2-CB 3.79Å; L50-L88 HydrophobicContact CG-CB 4.15Å
51E78.3Confident81.9Confident156 Ų15652.9 Ų52.973%0.72926%0.26SS*.G310 helixtrans-62.1-44-178.3-57.3-177.8140.200111.6N49 C53N49-E51 PolarHBondContact OD1-N 2.98Å; E51-C53 VanDerWaalsContact C-N 3.28Å; E51-C53 PolarHBondContact O-N 3.07Å
52K70.4Confident81Confident114 Ų11456.5 Ų56.550%0.49628%0.275SS..G310 helixtrans-64.1-27.4175.5-77.2176.6169-1700114.1A27 N49 L50 Q54A27-K52 WeakPolarHBondContact O-CD 2.87Å; A27-K52 PolarHBondContact O-NZ 2.74Å; N49-K52 HydrophobicContact CB-CD 4.35Å; N49-K52 VanDerWaalsContact OD1-CB 3.3Å; N49-K52 WeakPolarHBondContact OD1-CB 3.29Å; N49-K52 VanDerWaalsContact OD1-CG 3.22Å; N49-K52 WeakPolarHBondContact OD1-CG 3.46Å; N49-K52 PolarHBondContact OD1-N 3.31Å; L50-K52 PolarHBondContact O-N 2.91Å; K52-Q54 PolarHBondContact O-N 3.04Å
53C63.5Low80.2Confident11 Ų1152.7 Ų52.77%0.07426%0.259CS..G310 helixtrans-81.5-11.9-167.8-72.10000114.9I48 N49 L50 E51 T55 L171I48-C53 WeakPolarHBondContact CG2-SG 3.47Å; N49-C53 PolarHBondContact O-SG 3.18Å; L50-C53 PolarHBondContact O-N 2.9Å; L50-C53 VanDerWaalsContact O-N 3.15Å; E51-C53 VanDerWaalsContact C-N 3.28Å; E51-C53 PolarHBondContact O-N 3.07Å; C53-T55 VanDerWaalsContact C-N 3.26Å; C53-T55 HydrophobicContact CB-CG2 4.07Å; C53-T55 PolarHBondContact O-N 3.15Å; C53-T55 VanDerWaalsContact O-N 3.15Å; C53-L171 HydrophobicContact CB-CD1 4.49Å; C53-L171 HydrophobicContact CB-CD2 3.84Å
54Q65.5Low79.6Confident133 Ų13353.3 Ų53.362%0.62126%0.262SS*.  trans45.346.7176.9-62.2-174.1-0.400114K52 R183K52-Q54 PolarHBondContact O-N 3.04Å; Q54-R183 VanDerWaalsContact CB-NH2 3.3Å; Q54-R183 PolarHBondContact O-NH2 3.22Å; Q54-R183 VanDerWaalsContact O-NH2 3.09Å
55T66.1Low78.9Confident35 Ų3558.4 Ų58.422%0.21529%0.285CS..  trans-138.6158.1178.3-176.90000109.6C53 E59 L60 L171C53-T55 VanDerWaalsContact C-N 3.26Å; C53-T55 HydrophobicContact CB-CG2 4.07Å; C53-T55 PolarHBondContact O-N 3.15Å; C53-T55 VanDerWaalsContact O-N 3.15Å; T55-E59 WeakPolarHBondContact OG1-CB 3.31Å; T55-E59 PolarHBondContact OG1-OE2 2.81Å; T55-L60 HydrophobicContact CG2-CD1 3.85Å; T55-L60 HydrophobicContact CG2-CD2 3.86Å; T55-L60 HydrophobicContact CG2-CG 3.72Å; T55-L171 HydrophobicContact CG2-CD2 3.84Å
56S71.6Confident78.1Confident44 Ų4459 Ų5931%0.30829%0.29SS..  trans-79.5150.3175.961.60000111.9D58 E59 L60S56-D58 PolarHBondContact O-N 3.25Å; S56-E59 PolarHBondContact N-OE2 3.15Å; S56-E59 PolarHBondContact O-N 2.82Å; S56-E59 VanDerWaalsContact O-N 3.12Å; S56-E59 WeakPolarHBondContact OG-CB 3.32Å; S56-E59 VanDerWaalsContact OG-CG 3.23Å; S56-E59 WeakPolarHBondContact OG-CG 3.39Å; S56-E59 PolarHBondContact OG-N 3.49Å; S56-E59 PolarHBondContact OG-OE2 3.28Å; S56-L60 PolarHBondContact O-N 2.77Å; S56-L60 VanDerWaalsContact O-N 3.14Å
57M75.8Confident77.7Confident70 Ų7059.1 Ų59.135%0.34529%0.291SS..Hα-helixtrans-58.5-30169.6-74.1-59.5-59.300111.9L50 E59 L60 L61 V83L50-M57 HydrophobicContact CD1-SD 3.91Å; L50-M57 HydrophobicContact CD2-SD 3.74Å; L50-M57 HydrophobicContact CG-SD 4.47Å; M57-E59 VanDerWaalsContact C-N 3.33Å; M57-E59 PolarHBondContact O-N 2.98Å; M57-L60 PolarHBondContact O-N 2.82Å; M57-L60 HydrophobicContact SD-CD1 3.88Å; M57-L61 VanDerWaalsContact O-CB 3.28Å; M57-L61 WeakPolarHBondContact O-CB 3.23Å; M57-L61 WeakPolarHBondContact O-CD1 3.44Å; M57-L61 WeakPolarHBondContact O-CG 3.48Å; M57-L61 PolarHBondContact O-N 2.98Å; M57-V83 HydrophobicContact CE-CG2 4.14Å
58D75.9Confident77.3Confident115 Ų11559.6 Ų59.662%0.61530%0.3SS*.Hα-helixtrans-68.5-28.4177.1-59.4-29.5000113.5S56 K62S56-D58 PolarHBondContact O-N 3.25Å; D58-K62 WeakPolarHBondContact O-CD 3.47Å; D58-K62 WeakPolarHBondContact O-CG 3.1Å
59E73.7Confident77.2Confident44 Ų4465.4 Ų65.421%0.20633%0.327CS..Hα-helixtrans-76.4-46.7172.3-75.5153.6167.900110T55 S56 M57 L61 K62 E63 F170 R179T55-E59 WeakPolarHBondContact OG1-CB 3.31Å; T55-E59 PolarHBondContact OG1-OE2 2.81Å; S56-E59 PolarHBondContact N-OE2 3.15Å; S56-E59 PolarHBondContact O-N 2.82Å; S56-E59 VanDerWaalsContact O-N 3.12Å; S56-E59 WeakPolarHBondContact OG-CB 3.32Å; S56-E59 VanDerWaalsContact OG-CG 3.23Å; S56-E59 WeakPolarHBondContact OG-CG 3.39Å; S56-E59 PolarHBondContact OG-N 3.49Å; S56-E59 PolarHBondContact OG-OE2 3.28Å; M57-E59 VanDerWaalsContact C-N 3.33Å; M57-E59 PolarHBondContact O-N 2.98Å; E59-L61 PolarHBondContact O-N 3.25Å; E59-K62 PolarHBondContact O-N 3.09Å; E59-E63 PolarHBondContact O-N 3.41Å; E59-F170 HydrophobicContact CB-CE1 4.17Å; E59-F170 HydrophobicContact CB-CZ 3.96Å; E59-F170 HydrophobicContact CG-CZ 4.3Å; E59-R179 IonicContact OE1-NH1 2.63Å; E59-R179 PolarHBondContact OE1-NH1 2.92Å
60L78.5Confident77.2Confident2 Ų264.5 Ų64.51%0.0132%0.323CS..Hα-helixtrans-58.9-44.1175.7-68.3171.6000112.4L50 T55 S56 M57 K62 E63 I64 L88 V167 L171L50-L60 HydrophobicContact CD2-CD1 3.44Å; L50-L60 VanDerWaalsContact CD2-CD1 3.44Å; T55-L60 HydrophobicContact CG2-CD1 3.85Å; T55-L60 HydrophobicContact CG2-CD2 3.86Å; T55-L60 HydrophobicContact CG2-CG 3.72Å; S56-L60 PolarHBondContact O-N 2.77Å; S56-L60 VanDerWaalsContact O-N 3.14Å; M57-L60 PolarHBondContact O-N 2.82Å; M57-L60 HydrophobicContact SD-CD1 3.88Å; L60-K62 VanDerWaalsContact C-N 3.3Å; L60-K62 PolarHBondContact O-N 2.65Å; L60-E63 PolarHBondContact O-N 3.22Å; L60-I64 VanDerWaalsContact O-CG1 3.26Å; L60-I64 WeakPolarHBondContact O-CG1 3.35Å; L60-I64 PolarHBondContact O-N 3.13Å; L60-L88 HydrophobicContact CD1-CD2 4.31Å; L60-V167 HydrophobicContact CD2-CG1 3.64Å; L60-V167 HydrophobicContact CD2-CG2 4.46Å; L60-L171 HydrophobicContact CD2-CD1 4.36Å
61L79Confident77.7Confident93 Ų9368.9 Ų68.949%0.48734%0.342SS..Hα-helixtrans-62.9-32.8-178.9-77.5167.6000113.1M57 E59 I64 Q65M57-L61 VanDerWaalsContact O-CB 3.28Å; M57-L61 WeakPolarHBondContact O-CB 3.23Å; M57-L61 WeakPolarHBondContact O-CD1 3.44Å; M57-L61 WeakPolarHBondContact O-CG 3.48Å; M57-L61 PolarHBondContact O-N 2.98Å; E59-L61 PolarHBondContact O-N 3.25Å; L61-I64 HydrophobicContact CD2-CD1 4.42Å; L61-Q65 VanDerWaalsContact O-CB 3.31Å; L61-Q65 WeakPolarHBondContact O-CB 3.43Å; L61-Q65 PolarHBondContact O-N 2.87Å
62K77.7Confident78.5Confident140 Ų14063.5 Ų63.561%0.60932%0.317SS*.Hα-helixtrans-68.3-44174.5-70.5166.9-174.31710111.8D58 E59 L60 Q65 A66D58-K62 WeakPolarHBondContact O-CD 3.47Å; D58-K62 WeakPolarHBondContact O-CG 3.1Å; E59-K62 PolarHBondContact O-N 3.09Å; L60-K62 VanDerWaalsContact C-N 3.3Å; L60-K62 PolarHBondContact O-N 2.65Å; K62-Q65 WeakPolarHBondContact O-CB 3.42Å; K62-Q65 PolarHBondContact O-N 3.25Å; K62-A66 PolarHBondContact O-N 3.07Å
63E79.9Confident79.7Confident22 Ų2262.4 Ų62.410%0.10332%0.321CS..Hα-helixtrans-69.3-35.9177.9-69.3-75.1179.600111E59 L60 A66 M67 R145 G166 V167 F170E59-E63 PolarHBondContact O-N 3.41Å; L60-E63 PolarHBondContact O-N 3.22Å; E63-A66 PolarHBondContact O-N 3.13Å; E63-M67 VanDerWaalsContact O-CG 3.27Å; E63-M67 WeakPolarHBondContact O-CG 3.37Å; E63-M67 PolarHBondContact O-N 3.44Å; E63-R145 IonicContact OE1-CZ 2.69Å; E63-R145 IonicContact OE1-NH1 3.38Å; E63-R145 PolarHBondContact OE1-NH1 3.01Å; E63-R145 IonicContact OE1-NH2 3.55Å; E63-R145 PolarHBondContact OE1-NH2 2.64Å; E63-R145 IonicContact OE2-NH1 3.75Å; E63-G166 VanDerWaalsContact OE2-CA 3.3Å; E63-G166 WeakPolarHBondContact OE2-CA 3.4Å; E63-V167 HydrophobicContact CB-CB 4.45Å; E63-V167 HydrophobicContact CB-CG2 3.74Å; E63-F170 HydrophobicContact CG-CB 3.82Å; E63-F170 HydrophobicContact CG-CD1 4.5Å; E63-F170 HydrophobicContact CG-CD2 4Å; E63-F170 HydrophobicContact CG-CG 3.87Å; E63-F170 VanDerWaalsContact OE1-CD2 3.32Å; E63-F170 WeakPolarHBondContact OE1-CD2 3.38Å
64I84.4Confident81.4Confident13 Ų1362.5 Ų62.57%0.06732%0.321CS..Hα-helixtrans-61-42.8168.3-66.8165.1000111L60 L61 A66 M67 S68 Y78 L88 L90 V167L60-I64 VanDerWaalsContact O-CG1 3.26Å; L60-I64 WeakPolarHBondContact O-CG1 3.35Å; L60-I64 PolarHBondContact O-N 3.13Å; L61-I64 HydrophobicContact CD2-CD1 4.42Å; I64-A66 VanDerWaalsContact C-N 3.34Å; I64-A66 PolarHBondContact O-N 2.84Å; I64-M67 PolarHBondContact O-N 2.89Å; I64-S68 WeakPolarHBondContact O-CB 3.5Å; I64-S68 PolarHBondContact O-N 2.86Å; I64-S68 PolarHBondContact O-OG 3.18Å; I64-Y78 WeakPolarHBondContact CG2-OH 3.49Å; I64-L88 HydrophobicContact CD1-CD1 4.12Å; I64-L88 HydrophobicContact CD1-CD2 4.04Å; I64-L90 HydrophobicContact CG1-CD2 4.33Å; I64-V167 HydrophobicContact CG1-CG2 3.61Å
65Q82.4Confident82.8Confident115 Ų11556.5 Ų56.554%0.53729%0.293SS..Hα-helixtrans-65.3-35.7178.1-175.2179.55.200112.2L61 K62 S68 Q69L61-Q65 VanDerWaalsContact O-CB 3.31Å; L61-Q65 WeakPolarHBondContact O-CB 3.43Å; L61-Q65 PolarHBondContact O-N 2.87Å; K62-Q65 WeakPolarHBondContact O-CB 3.42Å; K62-Q65 PolarHBondContact O-N 3.25Å; Q65-S68 PolarHBondContact O-OG 3.2Å; Q65-S68 VanDerWaalsContact O-OG 3.13Å; Q65-Q69 WeakPolarHBondContact O-CG 3.4Å; Q65-Q69 PolarHBondContact O-N 2.97Å
66A79.2Confident84.2Confident13 Ų1355.6 Ų55.611%0.10729%0.287CS..Hα-helixtrans-66.6-44.3172.200000111.5K62 E63 I64 S68 Q69 C70K62-A66 PolarHBondContact O-N 3.07Å; E63-A66 PolarHBondContact O-N 3.13Å; I64-A66 VanDerWaalsContact C-N 3.34Å; I64-A66 PolarHBondContact O-N 2.84Å; A66-S68 PolarHBondContact O-N 3.39Å; A66-Q69 PolarHBondContact O-N 3.43Å; A66-C70 PolarHBondContact O-N 3.47Å; A66-C70 PolarHBondContact O-SG 2.91Å
67M83.7Confident85.1Confident18 Ų1855.4 Ų55.49%0.08929%0.286CS..Hα-helixtrans-60.9-42.3175.6-68.4172.674.800112.6E63 I64 Q69 C70 Y78 L90 F165 V167E63-M67 VanDerWaalsContact O-CG 3.27Å; E63-M67 WeakPolarHBondContact O-CG 3.37Å; E63-M67 PolarHBondContact O-N 3.44Å; I64-M67 PolarHBondContact O-N 2.89Å; M67-Q69 PolarHBondContact O-N 2.65Å; M67-C70 PolarHBondContact O-N 3.1Å; M67-C70 VanDerWaalsContact O-N 3.12Å; M67-Y78 HydrophobicContact CB-CG 4.36Å; M67-Y78 HydrophobicContact CE-CD2 4.16Å; M67-L90 HydrophobicContact CE-CD1 4.38Å; M67-F165 HydrophobicContact CG-CD1 3.94Å; M67-F165 HydrophobicContact CG-CE1 4.22Å; M67-V167 HydrophobicContact SD-CB 4.11Å; M67-V167 HydrophobicContact SD-CG2 4.01Å; M67-V167 PolarHBondContact SD-N 3.46Å
68S85Confident85.9Confident48 Ų4853.5 Ų53.534%0.33628%0.275SS..Hα-helixtrans-70.6-15.3-176.7710000114.3I64 Q65 A66 H71I64-S68 WeakPolarHBondContact O-CB 3.5Å; I64-S68 PolarHBondContact O-N 2.86Å; I64-S68 PolarHBondContact O-OG 3.18Å; Q65-S68 PolarHBondContact O-OG 3.2Å; Q65-S68 VanDerWaalsContact O-OG 3.13Å; A66-S68 PolarHBondContact O-N 3.39Å; S68-H71 PolarHBondContact O-CE1 3.21Å; S68-H71 VanDerWaalsContact O-CE1 3.22Å
69Q84.3Confident86.7Confident125 Ų12550.4 Ų50.458%0.58426%0.255SS*.Hα-helixtrans-94.6-11.9173.6-65.6174.113.200113Q65 A66 M67Q65-Q69 WeakPolarHBondContact O-CG 3.4Å; Q65-Q69 PolarHBondContact O-N 2.97Å; A66-Q69 PolarHBondContact O-N 3.43Å; M67-Q69 PolarHBondContact O-N 2.65Å
70C84.9Confident87.7Confident7 Ų749.2 Ų49.25%0.04725%0.251CS..  trans-91.4108.1-177.3-71.60000111.5A66 M67 Y136 F165A66-C70 PolarHBondContact O-N 3.47Å; A66-C70 PolarHBondContact O-SG 2.91Å; M67-C70 PolarHBondContact O-N 3.1Å; M67-C70 VanDerWaalsContact O-N 3.12Å; C70-Y136 HydrophobicContact CB-CE1 4.15Å; C70-F165 HydrophobicContact CB-CE1 4.28Å
71H91.1Very high88.4Confident128 Ų12850.3 Ų50.359%0.59326%0.259SS*.  trans-131.2107.1-179.8-62.9-14.8000110.3S68 Y136S68-H71 PolarHBondContact O-CE1 3.21Å; S68-H71 VanDerWaalsContact O-CE1 3.22Å; H71-Y136 PolarHBondContact N-OH 2.86Å; H71-Y136 PolarHBondContact O-OH 3.26Å
72H95.8Very high89.2Confident44 Ų4446.8 Ų46.820%0.20424%0.239CC..  trans-149.9142.3-179-168.4-104.1000110.3N74 I75 E132 Y136H72-N74 PolarHBondContact CE1-OD1 3.47Å; H72-N74 VanDerWaalsContact CE1-OD1 3.31Å; H72-N74 PolarHBondContact ND1-N 3.47Å; H72-N74 PolarHBondContact O-N 3.16Å; H72-I75 HydrophobicContact CB-CB 4.23Å; H72-I75 HydrophobicContact CB-CG1 3.96Å; H72-I75 PolarHBondContact O-N 3.29Å; H72-I75 VanDerWaalsContact O-O 3.11Å; H72-E132 PolarHBondContact CE1-O 2.9Å; H72-Y136 HydrophobicContact CB-CD1 3.63Å; H72-Y136 HydrophobicContact CB-CD2 3.99Å; H72-Y136 HydrophobicContact CB-CE1 3.93Å; H72-Y136 HydrophobicContact CB-CE2 4.26Å; H72-Y136 HydrophobicContact CB-CG 3.67Å; H72-Y136 AromaticContact CD2-CD2 3.51Å; H72-Y136 AromaticContact CD2-CG 3.59Å; H72-Y136 AromaticContact CG-CD2 3.93Å; H72-Y136 AromaticContact CG-CG 3.61Å
73P96.6Very high89.9Confident91 Ų9143.7 Ų43.759%0.59123%0.232SC*.THydrogen-bonded Turntrans-58.2-22.1-179.622.1-35.4000114.5Q161P73-Q161 WeakPolarHBondContact O-CG 3.34Å; P73-Q161 PolarHBondContact O-NE2 3.38Å
74N97.7Very high90.6Very high13 Ų1343.9 Ų43.97%0.0724%0.235CC..THydrogen-bonded Turntrans-105.113.8177.8-50.4101.5000114.4H72 E129 V160 Q161 I162H72-N74 PolarHBondContact CE1-OD1 3.47Å; H72-N74 VanDerWaalsContact CE1-OD1 3.31Å; H72-N74 PolarHBondContact ND1-N 3.47Å; H72-N74 PolarHBondContact O-N 3.16Å; N74-E129 VanDerWaalsContact CB-O 3.22Å; N74-E129 WeakPolarHBondContact CB-O 3.49Å; N74-E129 WeakPolarHBondContact ND2-CB 3.3Å; N74-E129 PolarHBondContact ND2-OE2 2.96Å; N74-V160 PolarHBondContact ND2-O 2.97Å; N74-V160 VanDerWaalsContact ND2-O 3.1Å; N74-Q161 CarbonylContact O-C 3.58Å; N74-Q161 WeakPolarHBondContact O-CA 3.41Å; N74-I162 PolarHBondContact O-N 3.17Å
75I95.6Very high90.9Very high7 Ų752.5 Ų52.54%0.03627%0.272CS..BIsolated β-bridgetrans-116.6138.4168.8-60.5-61.6000107.7H72 S77 Y136 L137 I162H72-I75 HydrophobicContact CB-CB 4.23Å; H72-I75 HydrophobicContact CB-CG1 3.96Å; H72-I75 PolarHBondContact O-N 3.29Å; H72-I75 VanDerWaalsContact O-O 3.11Å; I75-S77 PolarHBondContact O-N 2.84Å; I75-Y136 HydrophobicContact CG1-CD1 4.38Å; I75-L137 HydrophobicContact CD1-CD1 3.77Å; I75-L137 HydrophobicContact CD1-CD2 4.46Å; I75-L137 HydrophobicContact CD1-CG 3.98Å; I75-L137 HydrophobicContact CG1-CG 4.46Å; I75-I162 HydrophobicContact CD1-CB 3.98Å; I75-I162 HydrophobicContact CD1-CD1 3.94Å; I75-I162 HydrophobicContact CD1-CG1 4.15Å
76V94.5Very high91.2Very high15 Ų1549.9 Ų49.99%0.09126%0.262CS..  trans-61.6123.5179.4170.90000109.6Y78 M92 L95 L153 Q161 I162 A163V76-Y78 PolarHBondContact O-N 2.85Å; V76-M92 HydrophobicContact CG1-CB 4.12Å; V76-M92 HydrophobicContact CG1-CG 4.23Å; V76-M92 HydrophobicContact CG1-SD 4.2Å; V76-L95 HydrophobicContact CG2-CD1 3.75Å; V76-L153 HydrophobicContact CG2-CD1 4.26Å; V76-Q161 HydrophobicContact CG2-CB 3.73Å; V76-I162 WeakPolarHBondContact CG2-O 3.49Å; V76-I162 PolarHBondContact N-O 2.86Å; V76-A163 HydrophobicContact CB-CB 4.47Å; V76-A163 HydrophobicContact CG2-CB 3.8Å
77S92.2Very high91.8Very high40 Ų4051 Ų5128%0.2826%0.264SS..  trans-69105.7-174.9-45.90000110.7I75 M92 K93I75-S77 PolarHBondContact O-N 2.84Å; S77-M92 CarbonylContact O-C 3.56Å; S77-M92 VanDerWaalsContact O-CA 3.27Å; S77-M92 WeakPolarHBondContact O-CA 3.3Å; S77-M92 WeakPolarHBondContact O-CB 3.2Å; S77-K93 PolarHBondContact O-N 3.29Å
78Y92Very high92.1Very high31 Ų3150.2 Ų50.212%0.12226%0.261CS..EExtended strand (participates in β ladder)trans-68.7135.5164.8167.7-89.7000109.7I64 M67 V76 T80 S81 L90I64-Y78 WeakPolarHBondContact CG2-OH 3.49Å; M67-Y78 HydrophobicContact CB-CG 4.36Å; M67-Y78 HydrophobicContact CE-CD2 4.16Å; V76-Y78 PolarHBondContact O-N 2.85Å; Y78-T80 WeakPolarHBondContact CE2-O 3.46Å; Y78-T80 VanDerWaalsContact CZ-C 3.46Å; Y78-S81 WeakPolarHBondContact OH-CB 3.08Å; Y78-S81 PolarHBondContact OH-N 3.13Å; Y78-S81 VanDerWaalsContact OH-N 3.08Å; Y78-S81 PolarHBondContact OH-OG 3.37Å; Y78-S81 VanDerWaalsContact OH-OG 3.09Å; Y78-L90 HydrophobicContact CE2-CD2 4.42Å
79Y93.5Very high92.6Very high50 Ų5048.3 Ų48.320%0.19625%0.246CC..EExtended strand (participates in β ladder)trans-111.4-49.1-175-67.8-19.6000112.7W10 E41 V43 V91 K93W10-Y79 HydrophobicContact CD2-CD2 4.01Å; W10-Y79 AromaticContact CD2-CG 3.98Å; W10-Y79 HydrophobicContact CD2-CG 3.98Å; W10-Y79 AromaticContact CE2-CD1 3.98Å; W10-Y79 AromaticContact CE2-CD2 3.6Å; W10-Y79 AromaticContact CE2-CG 3.53Å; W10-Y79 HydrophobicContact CE3-CD2 4.05Å; W10-Y79 HydrophobicContact CE3-CG 4.44Å; W10-Y79 HydrophobicContact CG-CG 4.5Å; W10-Y79 AromaticContact CH2-CD2 3.39Å; W10-Y79 HydrophobicContact CH2-CD2 3.39Å; W10-Y79 AromaticContact CH2-CE2 3.35Å; W10-Y79 HydrophobicContact CH2-CE2 3.35Å; W10-Y79 HydrophobicContact CH2-CG 4.2Å; W10-Y79 HydrophobicContact CZ2-CD1 4.07Å; W10-Y79 AromaticContact CZ2-CD2 3.3Å; W10-Y79 HydrophobicContact CZ2-CD2 3.3Å; W10-Y79 HydrophobicContact CZ2-CE1 4.08Å; W10-Y79 AromaticContact CZ2-CE2 3.31Å; W10-Y79 HydrophobicContact CZ2-CE2 3.31Å; W10-Y79 AromaticContact CZ2-CG 3.69Å; W10-Y79 HydrophobicContact CZ2-CG 3.69Å; W10-Y79 AromaticContact CZ2-CZ 3.71Å; W10-Y79 AromaticContact CZ3-CD2 3.75Å; W10-Y79 HydrophobicContact CZ3-CD2 3.75Å; W10-Y79 HydrophobicContact CZ3-CE2 4.13Å; W10-Y79 AromaticContact NE1-CD1 3.86Å; W10-Y79 AromaticContact NE1-CG 3.75Å; E41-Y79 VanDerWaalsContact OE1-CE2 3.27Å; E41-Y79 WeakPolarHBondContact OE1-CE2 3.04Å; E41-Y79 PolarHBondContact OE1-OH 3.3Å; V43-Y79 HydrophobicContact CG1-CD2 4.04Å; V43-Y79 HydrophobicContact CG1-CE2 3.94Å; Y79-V91 WeakPolarHBondContact CB-O 3.12Å; Y79-V91 HydrophobicContact CD2-CG1 4.26Å; Y79-V91 PolarHBondContact N-O 3.4Å; Y79-K93 HydrophobicContact CE1-CB 4.28Å; Y79-K93 HydrophobicContact CE2-CB 4.29Å
80T94.3Very high93Very high19 Ų1942.3 Ų42.312%0.11722%0.218CC..EExtended strand (participates in β ladder)trans-168.2172.1177.7-170.20000110.7W10 S11 Y78 F82 V91W10-T80 HydrophobicContact CB-CG2 3.74Å; S11-T80 WeakPolarHBondContact O-CG2 2.99Å; Y78-T80 WeakPolarHBondContact CE2-O 3.46Å; Y78-T80 VanDerWaalsContact CZ-C 3.46Å; T80-F82 HydrophobicContact CG2-CD1 4.39Å; T80-F82 HydrophobicContact CG2-CE1 4.33Å; T80-V91 HydrophobicContact CG2-CB 3.86Å; T80-V91 HydrophobicContact CG2-CG2 3.85Å; T80-V91 PolarHBondContact N-O 3.03Å; T80-V91 PolarHBondContact O-N 2.95Å
81S93.6Very high93.6Very high24 Ų2442 Ų4217%0.16822%0.216CC..EExtended strand (participates in β ladder)trans-146.3146.6171.368.90000111.9Y78 W89Y78-S81 WeakPolarHBondContact OH-CB 3.08Å; Y78-S81 PolarHBondContact OH-N 3.13Å; Y78-S81 VanDerWaalsContact OH-N 3.08Å; Y78-S81 PolarHBondContact OH-OG 3.37Å; Y78-S81 VanDerWaalsContact OH-OG 3.09Å; S81-W89 WeakPolarHBondContact CA-O 3.19Å; S81-W89 WeakPolarHBondContact CB-O 3.46Å
82F94.1Very high93.7Very high19 Ų1937 Ų378%0.08319%0.193CC..EExtended strand (participates in β ladder)trans-151.4162.2175.649.4-88.9000110.5I12 R14 Y17 T80 V84 W89 V91I12-F82 HydrophobicContact CB-CB 4.17Å; I12-F82 HydrophobicContact CB-CD1 4.25Å; I12-F82 HydrophobicContact CB-CG 4.44Å; I12-F82 HydrophobicContact CG2-CB 4.43Å; I12-F82 HydrophobicContact CG2-CD1 4.33Å; R14-F82 HydrophobicContact CB-CE2 4.19Å; Y17-F82 HydrophobicContact CD2-CE1 4.14Å; Y17-F82 AromaticContact CD2-CZ 3.64Å; Y17-F82 HydrophobicContact CD2-CZ 3.64Å; Y17-F82 AromaticContact CE2-CE1 3.57Å; Y17-F82 HydrophobicContact CE2-CE1 3.57Å; Y17-F82 AromaticContact CE2-CZ 3.57Å; Y17-F82 HydrophobicContact CE2-CZ 3.57Å; Y17-F82 HydrophobicContact CG-CZ 4.49Å; T80-F82 HydrophobicContact CG2-CD1 4.39Å; T80-F82 HydrophobicContact CG2-CE1 4.33Å; F82-V84 HydrophobicContact CD2-CG2 3.6Å; F82-V84 HydrophobicContact CE2-CG2 3.57Å; F82-W89 HydrophobicContact CD2-CB 4.35Å; F82-W89 HydrophobicContact CE2-CB 4.16Å; F82-W89 HydrophobicContact CE2-CD2 4.13Å; F82-W89 AromaticContact CE2-CE3 3.6Å; F82-W89 HydrophobicContact CE2-CE3 3.6Å; F82-W89 HydrophobicContact CE2-CG 4.39Å; F82-W89 HydrophobicContact CE2-CZ3 4.33Å; F82-W89 HydrophobicContact CZ-CB 4.44Å; F82-W89 AromaticContact CZ-CE3 3.79Å; F82-W89 HydrophobicContact CZ-CE3 3.79Å; F82-W89 PolarHBondContact N-O 3.05Å; F82-W89 VanDerWaalsContact N-O 3.11Å; F82-W89 PolarHBondContact O-N 2.99Å; F82-V91 HydrophobicContact CE1-CG2 3.7Å; F82-V91 HydrophobicContact CZ-CG2 4.27Å
83V92.9Very high93.7Very high75 Ų7537.7 Ų37.746%0.45520%0.196SC..EExtended strand (participates in β ladder)trans-96.6131.2178.4179.60000109.6L50 M57 K85 E87 L88L50-V83 HydrophobicContact CD1-CG1 4.16Å; L50-V83 HydrophobicContact CD1-CG2 4.49Å; M57-V83 HydrophobicContact CE-CG2 4.14Å; V83-K85 WeakPolarHBondContact CG1-O 3.38Å; V83-E87 CarbonylContact C-O 3.43Å; V83-E87 WeakPolarHBondContact CA-O 3.45Å; V83-L88 HydrophobicContact CG2-CD1 4.49Å
84V94.7Very high93.6Very high26 Ų2634.6 Ų34.616%0.15817%0.174CC..EExtended strand (participates in β ladder)trans-121.7100.1174.9-177.30000107.7R14 F82 D86 E87 W89R14-V84 HydrophobicContact CB-CG2 3.99Å; R14-V84 HydrophobicContact CG-CG1 3.98Å; R14-V84 HydrophobicContact CG-CG2 4.01Å; F82-V84 HydrophobicContact CD2-CG2 3.6Å; F82-V84 HydrophobicContact CE2-CG2 3.57Å; V84-D86 PolarHBondContact O-N 3.39Å; V84-E87 PolarHBondContact N-O 3.12Å; V84-E87 PolarHBondContact O-N 3.37Å; V84-W89 HydrophobicContact CB-CD2 4.21Å; V84-W89 HydrophobicContact CB-CG 4.34Å; V84-W89 HydrophobicContact CB-CZ2 4.27Å; V84-W89 HydrophobicContact CG1-CZ2 4.09Å; V84-W89 HydrophobicContact CG2-CD2 3.6Å; V84-W89 HydrophobicContact CG2-CE3 4.03Å; V84-W89 HydrophobicContact CG2-CG 3.84Å; V84-W89 HydrophobicContact CG2-CZ2 4.2Å; V84-W89 HydrophobicContact CG2-CZ3 4.5Å
85K91.8Very high93.5Very high194 Ų19434.6 Ų34.684%0.84317%0.174SC*.THydrogen-bonded Turntrans57.2-114.3-173-53176-177.9179.20111.3V83V83-K85 WeakPolarHBondContact CG1-O 3.38Å
86D88.2Confident93.3Very high61 Ų6135.4 Ų35.433%0.32618%0.18SC..THydrogen-bonded Turntrans-88.2-6.8178.159.6-67.7000113.6N49 L50 V84N49-D86 PolarHBondContact ND2-OD2 3.11Å; L50-D86 WeakPolarHBondContact CB-O 3.36Å; L50-D86 WeakPolarHBondContact CG-O 3.5Å; L50-D86 PolarHBondContact N-O 2.57Å; V84-D86 PolarHBondContact O-N 3.39Å
87E91Very high93.2Very high35 Ų3535 Ų3516%0.16418%0.18CC..EExtended strand (participates in β ladder)trans-104.2129.2-177.6-59.9-174.6148.500112.6R47 I48 V83 V84 W89R47-E87 WeakPolarHBondContact CD-OE2 3.47Å; R47-E87 IonicContact CZ-OE1 3.45Å; R47-E87 IonicContact CZ-OE2 3.7Å; R47-E87 IonicContact NH1-OE1 2.76Å; R47-E87 PolarHBondContact NH1-OE1 2.87Å; R47-E87 IonicContact NH1-OE2 3.59Å; R47-E87 PolarHBondContact NH1-OE2 3.42Å; I48-E87 CarbonylContact O-C 3.59Å; I48-E87 VanDerWaalsContact O-CA 3.31Å; I48-E87 WeakPolarHBondContact O-CA 3.48Å; V83-E87 CarbonylContact C-O 3.43Å; V83-E87 WeakPolarHBondContact CA-O 3.45Å; V84-E87 PolarHBondContact N-O 3.12Å; V84-E87 PolarHBondContact O-N 3.37Å; E87-W89 PolarHBondContact OE2-NE1 2.98Å
88L91.1Very high93.2Very high3 Ų333.4 Ų33.42%0.01617%0.169CC..EExtended strand (participates in β ladder)trans-80.2118.9159.7167.964000108.8I48 L50 L60 I64 V83 L90I48-L88 HydrophobicContact CB-CB 4.44Å; I48-L88 PolarHBondContact N-O 2.9Å; I48-L88 PolarHBondContact O-N 3.47Å; L50-L88 HydrophobicContact CD1-CB 4.41Å; L50-L88 HydrophobicContact CD2-CB 3.79Å; L50-L88 HydrophobicContact CG-CB 4.15Å; L60-L88 HydrophobicContact CD1-CD2 4.31Å; I64-L88 HydrophobicContact CD1-CD1 4.12Å; I64-L88 HydrophobicContact CD1-CD2 4.04Å; V83-L88 HydrophobicContact CG2-CD1 4.49Å; L88-L90 HydrophobicContact CD1-CD2 4.07Å; L88-L90 HydrophobicContact CD2-CD2 4.07Å; L88-L90 HydrophobicContact CG-CD2 3.93Å; L88-L90 HydrophobicContact CG-CG 4.48Å
89W94.9Very high93.2Very high7 Ų732.5 Ų32.53%0.02717%0.167CC..EExtended strand (participates in β ladder)trans-96.6117.8175.9-74.225.8000109.4R14 L19 I45 R47 S81 F82 V84 E87R14-W89 HydrophobicContact CG-CH2 3.97Å; R14-W89 HydrophobicContact CG-CZ3 4.09Å; L19-W89 HydrophobicContact CD1-CH2 3.76Å; L19-W89 HydrophobicContact CD1-CZ2 4.12Å; L19-W89 HydrophobicContact CD2-CH2 3.88Å; L19-W89 HydrophobicContact CD2-CZ3 4.06Å; L19-W89 HydrophobicContact CG-CH2 3.97Å; I45-W89 HydrophobicContact CD1-CE3 3.88Å; I45-W89 HydrophobicContact CD1-CZ3 3.98Å; I45-W89 HydrophobicContact CG2-CB 3.83Å; I45-W89 HydrophobicContact CG2-CD2 3.86Å; I45-W89 HydrophobicContact CG2-CE3 3.78Å; I45-W89 HydrophobicContact CG2-CG 3.91Å; R47-W89 VanDerWaalsContact CD-CZ2 3.48Å; R47-W89 HydrophobicContact CG-CD2 4.1Å; R47-W89 HydrophobicContact CG-CG 4.05Å; R47-W89 HydrophobicContact CG-CZ2 4.44Å; S81-W89 WeakPolarHBondContact CA-O 3.19Å; S81-W89 WeakPolarHBondContact CB-O 3.46Å; F82-W89 HydrophobicContact CD2-CB 4.35Å; F82-W89 HydrophobicContact CE2-CB 4.16Å; F82-W89 HydrophobicContact CE2-CD2 4.13Å; F82-W89 AromaticContact CE2-CE3 3.6Å; F82-W89 HydrophobicContact CE2-CE3 3.6Å; F82-W89 HydrophobicContact CE2-CG 4.39Å; F82-W89 HydrophobicContact CE2-CZ3 4.33Å; F82-W89 HydrophobicContact CZ-CB 4.44Å; F82-W89 AromaticContact CZ-CE3 3.79Å; F82-W89 HydrophobicContact CZ-CE3 3.79Å; F82-W89 PolarHBondContact N-O 3.05Å; F82-W89 VanDerWaalsContact N-O 3.11Å; F82-W89 PolarHBondContact O-N 2.99Å; V84-W89 HydrophobicContact CB-CD2 4.21Å; V84-W89 HydrophobicContact CB-CG 4.34Å; V84-W89 HydrophobicContact CB-CZ2 4.27Å; V84-W89 HydrophobicContact CG1-CZ2 4.09Å; V84-W89 HydrophobicContact CG2-CD2 3.6Å; V84-W89 HydrophobicContact CG2-CE3 4.03Å; V84-W89 HydrophobicContact CG2-CG 3.84Å; V84-W89 HydrophobicContact CG2-CZ2 4.2Å; V84-W89 HydrophobicContact CG2-CZ3 4.5Å; E87-W89 PolarHBondContact OE2-NE1 2.98Å
90L93.3Very high93.3Very high0 Ų030.1 Ų30.10%016%0.158CC..EExtended strand (participates in β ladder)trans-99.1116.1169.1-52.4-178.3000108.8I45 K46 I48 I64 M67 Y78 L88 M92 V167I45-L90 WeakPolarHBondContact CA-O 3.36Å; K46-L90 HydrophobicContact CB-CB 4.35Å; K46-L90 PolarHBondContact N-O 2.89Å; K46-L90 PolarHBondContact O-N 3.22Å; I48-L90 HydrophobicContact CD1-CD1 3.73Å; I48-L90 HydrophobicContact CD1-CG 4.19Å; I64-L90 HydrophobicContact CG1-CD2 4.33Å; M67-L90 HydrophobicContact CE-CD1 4.38Å; Y78-L90 HydrophobicContact CE2-CD2 4.42Å; L88-L90 HydrophobicContact CD1-CD2 4.07Å; L88-L90 HydrophobicContact CD2-CD2 4.07Å; L88-L90 HydrophobicContact CG-CD2 3.93Å; L88-L90 HydrophobicContact CG-CG 4.48Å; L90-M92 HydrophobicContact CB-CE 3.88Å; L90-V167 HydrophobicContact CD1-CB 4.25Å; L90-V167 HydrophobicContact CD1-CG1 4.37Å
91V95.9Very high93.3Very high0 Ų031.3 Ų31.30%016%0.163CC..EExtended strand (participates in β ladder)trans-93.1129.4177.6-173.20000109.2Y17 V43 I45 Y79 T80 F82Y17-V91 HydrophobicContact CE1-CG1 3.81Å; Y17-V91 HydrophobicContact CE1-CG2 4.1Å; V43-V91 HydrophobicContact CB-CG1 4.01Å; V43-V91 HydrophobicContact CG1-CG1 4.22Å; V43-V91 HydrophobicContact CG2-CG1 3.93Å; I45-V91 HydrophobicContact CD1-CG2 4.47Å; I45-V91 HydrophobicContact CG1-CG2 4.36Å; Y79-V91 WeakPolarHBondContact CB-O 3.12Å; Y79-V91 HydrophobicContact CD2-CG1 4.26Å; Y79-V91 PolarHBondContact N-O 3.4Å; T80-V91 HydrophobicContact CG2-CB 3.86Å; T80-V91 HydrophobicContact CG2-CG2 3.85Å; T80-V91 PolarHBondContact N-O 3.03Å; T80-V91 PolarHBondContact O-N 2.95Å; F82-V91 HydrophobicContact CE1-CG2 3.7Å; F82-V91 HydrophobicContact CZ-CG2 4.27Å
92M94.8Very high93.2Very high23 Ų2332.6 Ų32.611%0.11317%0.168CC..EExtended strand (participates in β ladder)trans-148.1163.9-176.766.3-165.973.100112A44 K46 V76 S77 L90 L94A44-M92 HydrophobicContact CB-CG 3.88Å; A44-M92 PolarHBondContact N-O 2.62Å; A44-M92 PolarHBondContact O-N 3.29Å; K46-M92 HydrophobicContact CB-CE 3.68Å; V76-M92 HydrophobicContact CG1-CB 4.12Å; V76-M92 HydrophobicContact CG1-CG 4.23Å; V76-M92 HydrophobicContact CG1-SD 4.2Å; S77-M92 CarbonylContact O-C 3.56Å; S77-M92 VanDerWaalsContact O-CA 3.27Å; S77-M92 WeakPolarHBondContact O-CA 3.3Å; S77-M92 WeakPolarHBondContact O-CB 3.2Å; L90-M92 HydrophobicContact CB-CE 3.88Å; M92-L94 PolarHBondContact O-N 2.67Å
93K94.9Very high93.2Very high59 Ų5932.1 Ų32.126%0.25717%0.166SC..EExtended strand (participates in β ladder)trans-54.7132175-177.9-177.9175.6-168.10111.7S77 Y79 L95S77-K93 PolarHBondContact O-N 3.29Å; Y79-K93 HydrophobicContact CE1-CB 4.28Å; Y79-K93 HydrophobicContact CE2-CB 4.29Å; K93-L95 HydrophobicContact CD-CD2 4.13Å; K93-L95 HydrophobicContact CG-CD2 4.4Å
94L95.1Very high93.2Very high26 Ų2628.6 Ų28.614%0.13615%0.145CC..  trans-76.6133.4171.6-175.761.2000110.7I23 K42 A44 M92 I311I23-L94 HydrophobicContact CD1-CD1 3.54Å; K42-L94 HydrophobicContact CB-CD2 3.94Å; K42-L94 HydrophobicContact CD-CD2 4.36Å; A44-L94 HydrophobicContact CB-CD1 4.06Å; M92-L94 PolarHBondContact O-N 2.67Å; L94-I311 HydrophobicContact CD1-CD1 4.05Å
95L94.4Very high93Very high12 Ų1230.9 Ų30.96%0.06315%0.153CC..  trans-122.387.5175.3-67.2178.9000110.1V76 K93 G97 G98 L153 L154 Q161V76-L95 HydrophobicContact CG2-CD1 3.75Å; K93-L95 HydrophobicContact CD-CD2 4.13Å; K93-L95 HydrophobicContact CG-CD2 4.4Å; L95-G97 PolarHBondContact O-N 3.19Å; L95-G98 PolarHBondContact O-N 3.27Å; L95-L153 HydrophobicContact CB-CB 4.15Å; L95-L153 HydrophobicContact CD1-CB 3.5Å; L95-L153 VanDerWaalsContact CD1-CB 3.5Å; L95-L153 HydrophobicContact CD1-CD1 4.24Å; L95-L153 HydrophobicContact CG-CB 4.5Å; L95-L154 CarbonylContact C-O 3.05Å; L95-Q161 HydrophobicContact CD1-CB 3.85Å; L95-Q161 HydrophobicContact CD1-CG 4.07Å
96S92.2Very high93Very high24 Ų2424.8 Ų24.817%0.16813%0.128CC..THydrogen-bonded Turntrans-66-18.4-170-33.30000114.7G98 E156 R314S96-G98 PolarHBondContact O-N 3.2Å; S96-E156 WeakPolarHBondContact CB-OE1 3.3Å; S96-E156 PolarHBondContact OG-OE1 3.41Å; S96-R314 PolarHBondContact O-NH2 3.24Å
97G92.2Very high93.2Very high8 Ų823.1 Ų23.18%0.08212%0.118CC..THydrogen-bonded Turntrans-60.8-28.3174.900000112.5L95 L154 R314L95-G97 PolarHBondContact O-N 3.19Å; G97-L154 WeakPolarHBondContact CA-O 3.41Å; G97-L154 PolarHBondContact N-O 2.68Å; G97-R314 PolarHBondContact O-NH1 2.58Å
98G91.5Very high93.3Very high6 Ų624.2 Ų24.26%0.06213%0.127CC..EExtended strand (participates in β ladder)trans92.1-17017900000113L95 S96 L153 L154L95-G98 PolarHBondContact O-N 3.27Å; S96-G98 PolarHBondContact O-N 3.2Å; G98-L153 CarbonylContact O-C 3.6Å; G98-L153 WeakPolarHBondContact O-CA 3.35Å; G98-L154 PolarHBondContact O-N 2.98Å
99S93.4Very high93.3Very high11 Ų1128.2 Ų28.28%0.07716%0.16CC..EExtended strand (participates in β ladder)trans-83.3157.9177.469.50000112.1L101 D102 I103 G150 I152S99-L101 PolarHBondContact O-N 2.95Å; S99-L101 PolarHBondContact OG-N 3Å; S99-D102 WeakPolarHBondContact CB-OD2 3.44Å; S99-D102 PolarHBondContact N-OD2 3.17Å; S99-D102 WeakPolarHBondContact O-CB 3.3Å; S99-D102 PolarHBondContact O-N 2.8Å; S99-D102 VanDerWaalsContact O-N 3.09Å; S99-D102 VanDerWaalsContact OG-CG 3.22Å; S99-D102 PolarHBondContact OG-N 2.94Å; S99-D102 PolarHBondContact OG-OD2 3.28Å; S99-I103 PolarHBondContact O-N 2.87Å; S99-G150 VanDerWaalsContact CB-O 3.3Å; S99-G150 WeakPolarHBondContact CB-O 3.36Å; S99-I152 CarbonylContact C-O 3.53Å; S99-I152 VanDerWaalsContact CA-O 3.28Å; S99-I152 WeakPolarHBondContact CA-O 3.27Å
100V96.1Very high93.1Very high1 Ų132.9 Ų32.91%0.00618%0.181CC..Hα-helixtrans-64.1-26.3169.51780000110.7I103 I104 L118 I126 A149 I152 L154 L220V100-I103 WeakPolarHBondContact O-CB 3.14Å; V100-I103 PolarHBondContact O-N 2.82Å; V100-I104 HydrophobicContact CG1-CD1 4.23Å; V100-I104 VanDerWaalsContact O-CG1 3.3Å; V100-I104 WeakPolarHBondContact O-CG1 3.29Å; V100-I104 PolarHBondContact O-N 2.85Å; V100-L118 HydrophobicContact CG1-CD1 4.32Å; V100-I126 HydrophobicContact CG1-CD1 4.34Å; V100-I126 HydrophobicContact CG2-CD1 4.22Å; V100-I126 HydrophobicContact CG2-CG2 4.09Å; V100-A149 HydrophobicContact CB-CB 4.11Å; V100-A149 HydrophobicContact CG1-CB 4.13Å; V100-A149 PolarHBondContact N-O 3.14Å; V100-I152 HydrophobicContact CB-CB 4.35Å; V100-I152 HydrophobicContact CG2-CB 3.91Å; V100-I152 HydrophobicContact CG2-CG2 3.64Å; V100-I152 PolarHBondContact N-O 2.87Å; V100-L154 HydrophobicContact CG2-CD1 4.47Å; V100-L154 HydrophobicContact CG2-CD2 4.2Å; V100-L154 HydrophobicContact CG2-CG 4.33Å; V100-L220 HydrophobicContact CG1-CD1 3.96Å; V100-L220 HydrophobicContact CG1-CD2 4.16Å; V100-L220 HydrophobicContact CG1-CG 3.84Å
101L92.9Very high93Very high43 Ų4334.3 Ų34.323%0.22520%0.195CC..Hα-helixtrans-64-36.8170.2-17761.7000113S99 I103 I104 K105 A149S99-L101 PolarHBondContact O-N 2.95Å; S99-L101 PolarHBondContact OG-N 3Å; L101-I103 VanDerWaalsContact C-N 3.29Å; L101-I103 PolarHBondContact O-N 3.05Å; L101-I104 PolarHBondContact O-N 3.2Å; L101-K105 HydrophobicContact CD1-CG 4.32Å; L101-K105 HydrophobicContact CG-CD 4.48Å; L101-K105 WeakPolarHBondContact O-CB 2.99Å; L101-K105 WeakPolarHBondContact O-CG 3.48Å; L101-K105 PolarHBondContact O-N 2.8Å; L101-A149 HydrophobicContact CB-CB 4.39Å; L101-A149 PolarHBondContact N-O 2.97Å; L101-A149 VanDerWaalsContact N-O 3.14Å
102D91.6Very high92.8Very high52 Ų5239.5 Ų39.528%0.27822%0.22SC..Hα-helixtrans-62-40.2173.8-65.7-65.8000111.3S99 H106 R314S99-D102 WeakPolarHBondContact CB-OD2 3.44Å; S99-D102 PolarHBondContact N-OD2 3.17Å; S99-D102 WeakPolarHBondContact O-CB 3.3Å; S99-D102 PolarHBondContact O-N 2.8Å; S99-D102 VanDerWaalsContact O-N 3.09Å; S99-D102 VanDerWaalsContact OG-CG 3.22Å; S99-D102 PolarHBondContact OG-N 2.94Å; S99-D102 PolarHBondContact OG-OD2 3.28Å; D102-H106 VanDerWaalsContact O-CB 3.3Å; D102-H106 WeakPolarHBondContact O-CB 3.3Å; D102-H106 PolarHBondContact O-N 3.31Å; D102-R314 VanDerWaalsContact CG-CD 3.5Å; D102-R314 WeakPolarHBondContact OD1-CD 3.45Å
103I93.7Very high92.7Very high8 Ų841.1 Ų41.14%0.04123%0.227CC..Hα-helixtrans-64.4-45.8175.6-53.1-52.8000110.6S99 V100 L101 H106 I107 L118 L154 I304 A308S99-I103 PolarHBondContact O-N 2.87Å; V100-I103 WeakPolarHBondContact O-CB 3.14Å; V100-I103 PolarHBondContact O-N 2.82Å; L101-I103 VanDerWaalsContact C-N 3.29Å; L101-I103 PolarHBondContact O-N 3.05Å; I103-H106 PolarHBondContact O-N 2.97Å; I103-I107 HydrophobicContact CG2-CD1 3.83Å; I103-I107 WeakPolarHBondContact O-CG1 3.45Å; I103-I107 PolarHBondContact O-N 2.84Å; I103-L118 HydrophobicContact CG2-CD2 4.34Å; I103-L154 HydrophobicContact CD1-CD1 4.45Å; I103-L154 HydrophobicContact CG1-CD1 4.02Å; I103-I304 HydrophobicContact CB-CG2 4.33Å; I103-I304 HydrophobicContact CD1-CG2 3.46Å; I103-I304 VanDerWaalsContact CD1-CG2 3.46Å; I103-I304 HydrophobicContact CG1-CG2 3.63Å; I103-I304 HydrophobicContact CG2-CG2 3.73Å; I103-A308 HydrophobicContact CD1-CB 3.46Å; I103-A308 VanDerWaalsContact CD1-CB 3.46Å
104I94Very high92.4Very high2 Ų246 Ų461%0.0125%0.248CC..Hα-helixtrans-58.2-54.2175.6-70.8165.2000110.2V100 L101 H106 I107 V108 V117 A149 E219 G223V100-I104 HydrophobicContact CG1-CD1 4.23Å; V100-I104 VanDerWaalsContact O-CG1 3.3Å; V100-I104 WeakPolarHBondContact O-CG1 3.29Å; V100-I104 PolarHBondContact O-N 2.85Å; L101-I104 PolarHBondContact O-N 3.2Å; I104-H106 PolarHBondContact O-N 3.24Å; I104-I107 PolarHBondContact O-N 3.39Å; I104-V108 HydrophobicContact CG2-CG2 4.26Å; I104-V108 WeakPolarHBondContact O-CB 3.46Å; I104-V108 VanDerWaalsContact O-CG2 3.29Å; I104-V108 WeakPolarHBondContact O-CG2 3.18Å; I104-V108 PolarHBondContact O-N 2.96Å; I104-V117 HydrophobicContact CB-CG1 4.46Å; I104-V117 HydrophobicContact CG1-CG1 4.12Å; I104-V117 HydrophobicContact CG2-CG1 4.47Å; I104-A149 HydrophobicContact CD1-CB 3.79Å; I104-E219 HydrophobicContact CD1-CG 4.2Å; I104-G223 WeakPolarHBondContact CG2-O 3.43Å
105K90.6Very high92.2Very high73 Ų7348 Ų4832%0.31727%0.265SS..Hα-helixtrans-58.4-35.5179.4-74.1-170.3171.7-171.40111.9L101 A109 D333 E337L101-K105 HydrophobicContact CD1-CG 4.32Å; L101-K105 HydrophobicContact CG-CD 4.48Å; L101-K105 WeakPolarHBondContact O-CB 2.99Å; L101-K105 WeakPolarHBondContact O-CG 3.48Å; L101-K105 PolarHBondContact O-N 2.8Å; K105-A109 VanDerWaalsContact O-CB 3.24Å; K105-A109 WeakPolarHBondContact O-CB 3.24Å; K105-A109 PolarHBondContact O-N 2.88Å; K105-D333 WeakPolarHBondContact CE-OD2 3.42Å; K105-D333 IonicContact NZ-OD2 3.78Å; K105-D333 PolarHBondContact NZ-OD2 3.36Å; K105-E337 IonicContact NZ-OE1 2.68Å; K105-E337 PolarHBondContact NZ-OE1 2.74Å
106H91.6Very high92.1Very high67 Ų6747.5 Ų47.531%0.3126%0.262SS..Hα-helixtrans-69.3-45.4176-17078.6000113.6D102 I103 I104 V108 A109 K110 R307 P309D102-H106 VanDerWaalsContact O-CB 3.3Å; D102-H106 WeakPolarHBondContact O-CB 3.3Å; D102-H106 PolarHBondContact O-N 3.31Å; I103-H106 PolarHBondContact O-N 2.97Å; I104-H106 PolarHBondContact O-N 3.24Å; H106-V108 VanDerWaalsContact C-N 3.33Å; H106-A109 PolarHBondContact O-N 3.28Å; H106-K110 PolarHBondContact O-N 3.44Å; H106-K110 VanDerWaalsContact O-N 3.1Å; H106-R307 PolarHBondContact CD2-O 2.93Å; H106-P309 HydrophobicContact CB-CG 4.38Å
107I93Very high92.2Very high25 Ų2546.9 Ų46.913%0.12826%0.257CS..Hα-helixtrans-66-37.6176.3-67.1169.2000110.8I103 I104 G111 E112 H113 V117 L118I103-I107 HydrophobicContact CG2-CD1 3.83Å; I103-I107 WeakPolarHBondContact O-CG1 3.45Å; I103-I107 PolarHBondContact O-N 2.84Å; I104-I107 PolarHBondContact O-N 3.39Å; I107-G111 PolarHBondContact O-N 3.34Å; I107-E112 HydrophobicContact CG2-CB 3.94Å; I107-E112 PolarHBondContact O-N 3.18Å; I107-H113 HydrophobicContact CG2-CB 4.35Å; I107-V117 HydrophobicContact CB-CG1 4.03Å; I107-V117 HydrophobicContact CD1-CG1 4.04Å; I107-V117 HydrophobicContact CG2-CG1 3.82Å; I107-L118 HydrophobicContact CD1-CD2 3.62Å
108V91.8Very high92.5Very high59 Ų5947 Ų4736%0.35826%0.255SS..Hα-helixtrans-64-51.5175.5171.30000110.6I104 H106 K110 G111 H113 V117I104-V108 HydrophobicContact CG2-CG2 4.26Å; I104-V108 WeakPolarHBondContact O-CB 3.46Å; I104-V108 VanDerWaalsContact O-CG2 3.29Å; I104-V108 WeakPolarHBondContact O-CG2 3.18Å; I104-V108 PolarHBondContact O-N 2.96Å; H106-V108 VanDerWaalsContact C-N 3.33Å; V108-K110 VanDerWaalsContact C-N 3.26Å; V108-K110 PolarHBondContact O-N 3.22Å; V108-G111 PolarHBondContact O-N 3.09Å; V108-H113 WeakPolarHBondContact CA-ND1 3.34Å; V108-H113 HydrophobicContact CG2-CB 4.21Å; V108-H113 PolarHBondContact O-ND1 3.36Å; V108-V117 HydrophobicContact CG2-CG2 4.39Å
109A90.7Very high92.7Very high86 Ų8648.9 Ų48.971%0.71126%0.264SS*.Hα-helixtrans-62.4-27.4179.500000114.2K105 H106 G111K105-A109 VanDerWaalsContact O-CB 3.24Å; K105-A109 WeakPolarHBondContact O-CB 3.24Å; K105-A109 PolarHBondContact O-N 2.88Å; H106-A109 PolarHBondContact O-N 3.28Å; A109-G111 VanDerWaalsContact C-N 3.31Å
110K91.1Very high92.9Very high106 Ų10649.3 Ų49.346%0.46127%0.265SS..THydrogen-bonded Turntrans-79-8.3171.9-77.6175.21621750114.2H106 V108 E112H106-K110 PolarHBondContact O-N 3.44Å; H106-K110 VanDerWaalsContact O-N 3.1Å; V108-K110 VanDerWaalsContact C-N 3.26Å; V108-K110 PolarHBondContact O-N 3.22Å; K110-E112 HydrophobicContact CB-CG 3.99Å; K110-E112 PolarHBondContact O-N 3.34Å
111G91.6Very high93Very high29 Ų2950.6 Ų50.630%0.29927%0.274SS..THydrogen-bonded Turntrans71.711-175.400000114.5I107 V108 A109 H113I107-G111 PolarHBondContact O-N 3.34Å; V108-G111 PolarHBondContact O-N 3.09Å; A109-G111 VanDerWaalsContact C-N 3.31Å; G111-H113 VanDerWaalsContact C-N 3.26Å; G111-H113 PolarHBondContact O-N 2.93Å
112E91.9Very high93.2Very high109 Ų10948.6 Ų48.651%0.50926%0.264SS..G310 helixtrans-75.4-16.3-177.8-72.3176.7-161.600112.5I107 K110 K114I107-E112 HydrophobicContact CG2-CB 3.94Å; I107-E112 PolarHBondContact O-N 3.18Å; K110-E112 HydrophobicContact CB-CG 3.99Å; K110-E112 PolarHBondContact O-N 3.34Å; E112-K114 PolarHBondContact O-N 3.28Å; E112-K114 VanDerWaalsContact O-N 3.13Å
113H91.7Very high93.6Very high57 Ų5746.1 Ų46.126%0.26425%0.251SS..G310 helixtrans-67.1-6.3-177.166.4-91.5000116.1I107 V108 G111 S115 G116 V117 M256I107-H113 HydrophobicContact CG2-CB 4.35Å; V108-H113 WeakPolarHBondContact CA-ND1 3.34Å; V108-H113 HydrophobicContact CG2-CB 4.21Å; V108-H113 PolarHBondContact O-ND1 3.36Å; G111-H113 VanDerWaalsContact C-N 3.26Å; G111-H113 PolarHBondContact O-N 2.93Å; H113-S115 PolarHBondContact O-N 2.97Å; H113-G116 CarbonylContact O-C 3.42Å; H113-G116 WeakPolarHBondContact O-CA 3.3Å; H113-G116 PolarHBondContact O-N 3.41Å; H113-V117 HydrophobicContact CB-CG2 3.93Å; H113-M256 WeakPolarHBondContact O-CE 3.47Å
114K89.6Confident93.8Very high162 Ų16245.8 Ų45.870%0.70425%0.249SC*.G310 helixtrans-58.5-21.2-172-67.5178.8-175.5-177.10115.1E112 M256E112-K114 PolarHBondContact O-N 3.28Å; E112-K114 VanDerWaalsContact O-N 3.13Å; K114-M256 WeakPolarHBondContact O-CA 3.5Å
115S90.7Very high94Very high69 Ų6945.7 Ų45.748%0.48325%0.248SC..G310 helixtrans-107.725.9174.965.80000112.6H113 M256 K259H113-S115 PolarHBondContact O-N 2.97Å; S115-M256 CarbonylContact C-O 3.58Å; S115-K259 WeakPolarHBondContact O-CD 3.33Å; S115-K259 WeakPolarHBondContact O-CE 3.44Å; S115-K259 WeakPolarHBondContact O-CG 3.1Å; S115-K259 PolarHBondContact O-NZ 2.69Å
116G92.3Very high94.4Very high0 Ų042.2 Ų42.20%023%0.233CC..  trans86.3152.6-166.400000111.3H113 A221 M256 K259 Y260H113-G116 CarbonylContact O-C 3.42Å; H113-G116 WeakPolarHBondContact O-CA 3.3Å; H113-G116 PolarHBondContact O-N 3.41Å; G116-A221 CarbonylContact C-O 3.56Å; G116-A221 WeakPolarHBondContact CA-O 3.48Å; G116-M256 VanDerWaalsContact N-CG 3.33Å; G116-M256 PolarHBondContact N-O 3.12Å; G116-M256 VanDerWaalsContact N-O 3.13Å; G116-K259 VanDerWaalsContact C-NZ 3.33Å; G116-K259 PolarHBondContact O-NZ 2.96Å; G116-Y260 WeakPolarHBondContact CA-OH 3.39Å
117V95.3Very high94.7Very high12 Ų1239 Ų397%0.07322%0.219CC..SBendtrans-71.1-74.4-171.2-175.20000111.4I104 I107 V108 H113 A221 Y260I104-V117 HydrophobicContact CB-CG1 4.46Å; I104-V117 HydrophobicContact CG1-CG1 4.12Å; I104-V117 HydrophobicContact CG2-CG1 4.47Å; I107-V117 HydrophobicContact CB-CG1 4.03Å; I107-V117 HydrophobicContact CD1-CG1 4.04Å; I107-V117 HydrophobicContact CG2-CG1 3.82Å; V108-V117 HydrophobicContact CG2-CG2 4.39Å; H113-V117 HydrophobicContact CB-CG2 3.93Å; V117-A221 PolarHBondContact N-O 3.49Å; V117-Y260 PolarHBondContact N-OH 2.82Å
118L96.7Very high95Very high9 Ų941 Ų415%0.04722%0.224CC..SBendtrans-95.2154.1177.3-58.4178.5000111.7V100 I103 I107 T122 I123 I126 L220 K259 Y260V100-L118 HydrophobicContact CG1-CD1 4.32Å; I103-L118 HydrophobicContact CG2-CD2 4.34Å; I107-L118 HydrophobicContact CD1-CD2 3.62Å; L118-T122 HydrophobicContact CB-CG2 4.4Å; L118-T122 HydrophobicContact CD1-CG2 4.33Å; L118-T122 HydrophobicContact CD2-CG2 4.22Å; L118-I123 HydrophobicContact CB-CD1 4Å; L118-I123 HydrophobicContact CB-CG1 3.54Å; L118-I123 HydrophobicContact CD1-CG1 4.4Å; L118-I126 HydrophobicContact CD1-CD1 3.99Å; L118-L220 WeakPolarHBondContact CB-O 3.29Å; L118-L220 HydrophobicContact CD1-CB 4.26Å; L118-L220 HydrophobicContact CD1-CD2 4.06Å; L118-L220 HydrophobicContact CD1-CG 3.98Å; L118-L220 PolarHBondContact N-O 2.89Å; L118-K259 VanDerWaalsContact O-CE 3.23Å; L118-K259 WeakPolarHBondContact O-CE 3.45Å; L118-Y260 WeakPolarHBondContact O-CE1 3.44Å; L118-Y260 PolarHBondContact O-OH 2.79Å
119D96.2Very high95.3Very high46 Ų4640 Ų4025%0.24622%0.216CC..  trans-82159172.475.383.4000112.3S121 T122 I123D119-S121 PolarHBondContact O-N 3.31Å; D119-S121 VanDerWaalsContact O-N 3.15Å; D119-S121 WeakPolarHBondContact OD1-CA 3.3Å; D119-S121 WeakPolarHBondContact OD1-CB 3.34Å; D119-S121 PolarHBondContact OD1-N 3.46Å; D119-S121 PolarHBondContact OD1-OG 3.41Å; D119-T122 PolarHBondContact O-N 2.92Å; D119-T122 PolarHBondContact OD1-N 3.1Å; D119-T122 WeakPolarHBondContact OD2-CB 3.42Å; D119-T122 PolarHBondContact OD2-OG1 3.07Å; D119-I123 WeakPolarHBondContact O-CG1 3.36Å; D119-I123 PolarHBondContact O-N 3.01Å
120E98.2Very high95.7Very high20 Ų2036 Ų369%0.09318%0.182CC..Hα-helixtrans-58.1-29-176.8-73.5-166.214000114.9A124 Y260 G261 F264 F290 K293E120-A124 WeakPolarHBondContact O-CB 3.3Å; E120-A124 PolarHBondContact O-N 3.02Å; E120-Y260 HydrophobicContact CG-CD1 3.9Å; E120-G261 PolarHBondContact OE1-N 3.42Å; E120-F264 VanDerWaalsContact OE1-CB 3.29Å; E120-F264 WeakPolarHBondContact OE1-CB 3.44Å; E120-F290 HydrophobicContact CB-CE2 3.98Å; E120-F290 HydrophobicContact CG-CE2 4.12Å; E120-F290 WeakPolarHBondContact O-CZ 3.34Å; E120-K293 HydrophobicContact CB-CD 4.07Å; E120-K293 WeakPolarHBondContact OE2-CE 3.26Å; E120-K293 IonicContact OE2-NZ 2.63Å; E120-K293 PolarHBondContact OE2-NZ 3.48Å
121S97.9Very high96.1Very high28 Ų2831 Ų3120%0.19616%0.16CC..Hα-helixtrans-78.6-38.3178.7680000111.7D119 A124 T125 K293D119-S121 PolarHBondContact O-N 3.31Å; D119-S121 VanDerWaalsContact O-N 3.15Å; D119-S121 WeakPolarHBondContact OD1-CA 3.3Å; D119-S121 WeakPolarHBondContact OD1-CB 3.34Å; D119-S121 PolarHBondContact OD1-N 3.46Å; D119-S121 PolarHBondContact OD1-OG 3.41Å; S121-A124 PolarHBondContact O-N 3.33Å; S121-T125 WeakPolarHBondContact O-CB 3.29Å; S121-T125 PolarHBondContact O-N 3.48Å; S121-T125 PolarHBondContact O-OG1 2.78Å; S121-K293 WeakPolarHBondContact CB-O 3.39Å
122T97.7Very high96.4Very high2 Ų233 Ų331%0.01216%0.162CC..Hα-helixtrans-62.3-48.1170.4-59.20000111L118 D119 T125 I126 L300 I304L118-T122 HydrophobicContact CB-CG2 4.4Å; L118-T122 HydrophobicContact CD1-CG2 4.33Å; L118-T122 HydrophobicContact CD2-CG2 4.22Å; D119-T122 PolarHBondContact O-N 2.92Å; D119-T122 PolarHBondContact OD1-N 3.1Å; D119-T122 WeakPolarHBondContact OD2-CB 3.42Å; D119-T122 PolarHBondContact OD2-OG1 3.07Å; T122-T125 PolarHBondContact O-N 3.44Å; T122-I126 HydrophobicContact CG2-CD1 4.17Å; T122-I126 WeakPolarHBondContact O-CG1 3.24Å; T122-I126 PolarHBondContact O-N 3.23Å; T122-I126 VanDerWaalsContact O-N 3.07Å; T122-L300 HydrophobicContact CG2-CD2 4.22Å; T122-I304 HydrophobicContact CG2-CD1 3.71Å; T122-I304 HydrophobicContact CG2-CG1 4.1Å
123I98.5Very high96.7Very high0 Ų027.8 Ų27.80%014%0.138CC..Hα-helixtrans-61.3-47.4176.1-62.4176.9000111.3L118 D119 T125 I126 L127 L220 A221 Y260 F264 F290L118-I123 HydrophobicContact CB-CD1 4Å; L118-I123 HydrophobicContact CB-CG1 3.54Å; L118-I123 HydrophobicContact CD1-CG1 4.4Å; D119-I123 WeakPolarHBondContact O-CG1 3.36Å; D119-I123 PolarHBondContact O-N 3.01Å; I123-T125 PolarHBondContact O-N 3.34Å; I123-I126 PolarHBondContact O-N 3.1Å; I123-L127 HydrophobicContact CG2-CD1 3.52Å; I123-L127 HydrophobicContact CG2-CG 4.01Å; I123-L127 VanDerWaalsContact O-CB 3.3Å; I123-L127 WeakPolarHBondContact O-CB 3.31Å; I123-L127 WeakPolarHBondContact O-CG 3.13Å; I123-L127 PolarHBondContact O-N 3.34Å; I123-L220 HydrophobicContact CD1-CB 4.27Å; I123-L220 HydrophobicContact CG1-CB 4.14Å; I123-L220 HydrophobicContact CG1-CD2 4.45Å; I123-L220 HydrophobicContact CG2-CB 4.45Å; I123-L220 HydrophobicContact CG2-CD2 4.3Å; I123-A221 HydrophobicContact CD1-CB 3.94Å; I123-Y260 HydrophobicContact CD1-CE1 3.89Å; I123-F264 HydrophobicContact CD1-CE1 4.47Å; I123-F264 HydrophobicContact CD1-CZ 4.06Å; I123-F264 HydrophobicContact CG2-CE2 3.69Å; I123-F264 HydrophobicContact CG2-CZ 3.91Å; I123-F290 HydrophobicContact CB-CZ 4.22Å; I123-F290 HydrophobicContact CG2-CE1 4.21Å; I123-F290 HydrophobicContact CG2-CZ 3.93Å
124A98.7Very high97Very high0 Ų025.1 Ų25.10%013%0.125CC..Hα-helixtrans-62.1-32.2178.600000112.9E120 S121 R128 F290 K293 A294E120-A124 WeakPolarHBondContact O-CB 3.3Å; E120-A124 PolarHBondContact O-N 3.02Å; S121-A124 PolarHBondContact O-N 3.33Å; A124-R128 WeakPolarHBondContact O-CB 3.48Å; A124-R128 PolarHBondContact O-N 3.06Å; A124-R128 VanDerWaalsContact O-N 3.13Å; A124-F290 HydrophobicContact CB-CD1 4.18Å; A124-F290 HydrophobicContact CB-CE1 3.67Å; A124-F290 HydrophobicContact CB-CE2 4.37Å; A124-F290 HydrophobicContact CB-CZ 3.77Å; A124-K293 HydrophobicContact CB-CB 3.86Å; A124-A294 HydrophobicContact CB-CB 4.2Å; A124-A294 WeakPolarHBondContact O-CB 3.46Å
125T98.6Very high97.4Very high1 Ų118.9 Ų18.91%0.00610%0.099CC..Hα-helixtrans-71.1-52.1177.4-49.40000110.8S121 T122 I123 L127 R128 A294 K295 L300S121-T125 WeakPolarHBondContact O-CB 3.29Å; S121-T125 PolarHBondContact O-N 3.48Å; S121-T125 PolarHBondContact O-OG1 2.78Å; T122-T125 PolarHBondContact O-N 3.44Å; I123-T125 PolarHBondContact O-N 3.34Å; T125-L127 PolarHBondContact O-N 2.63Å; T125-R128 PolarHBondContact O-N 3.4Å; T125-A294 WeakPolarHBondContact OG1-CA 3.3Å; T125-K295 HydrophobicContact CG2-CB 4.35Å; T125-K295 PolarHBondContact OG1-N 3.28Å; T125-L300 HydrophobicContact CG2-CD1 3.86Å; T125-L300 HydrophobicContact CG2-CD2 4.07Å; T125-L300 HydrophobicContact CG2-CG 3.84Å
126I98.6Very high97.7Very high0 Ų017.8 Ų17.80%08%0.084CC..Hα-helixtrans-59.1-49.8177.8-63.5168.1000110.8V100 L118 T122 I123 R128 E129 V130 I152 V160 L220 L300 I304V100-I126 HydrophobicContact CG1-CD1 4.34Å; V100-I126 HydrophobicContact CG2-CD1 4.22Å; V100-I126 HydrophobicContact CG2-CG2 4.09Å; L118-I126 HydrophobicContact CD1-CD1 3.99Å; T122-I126 HydrophobicContact CG2-CD1 4.17Å; T122-I126 WeakPolarHBondContact O-CG1 3.24Å; T122-I126 PolarHBondContact O-N 3.23Å; T122-I126 VanDerWaalsContact O-N 3.07Å; I123-I126 PolarHBondContact O-N 3.1Å; I126-R128 VanDerWaalsContact C-N 3.31Å; I126-R128 PolarHBondContact O-N 3.06Å; I126-E129 PolarHBondContact O-N 3.43Å; I126-V130 WeakPolarHBondContact O-CG2 3.43Å; I126-V130 PolarHBondContact O-N 3.37Å; I126-I152 HydrophobicContact CG2-CG2 3.9Å; I126-V160 HydrophobicContact CG2-CG1 4.12Å; I126-L220 HydrophobicContact CB-CD2 4.28Å; I126-L220 HydrophobicContact CD1-CD2 4.16Å; I126-L220 HydrophobicContact CG2-CD2 4.07Å; I126-L300 HydrophobicContact CG1-CD1 4.24Å; I126-L300 HydrophobicContact CG1-CD2 4.05Å; I126-I304 HydrophobicContact CD1-CD1 3.91Å
127L98.8Very high97.8Very high0 Ų017.8 Ų17.80%08%0.084CC..Hα-helixtrans-73.4-18.4-174.1-65.9-174000113.9I123 T125 L131 F213 T216 A217 L220 M267 F291I123-L127 HydrophobicContact CG2-CD1 3.52Å; I123-L127 HydrophobicContact CG2-CG 4.01Å; I123-L127 VanDerWaalsContact O-CB 3.3Å; I123-L127 WeakPolarHBondContact O-CB 3.31Å; I123-L127 WeakPolarHBondContact O-CG 3.13Å; I123-L127 PolarHBondContact O-N 3.34Å; T125-L127 PolarHBondContact O-N 2.63Å; L127-L131 WeakPolarHBondContact O-CG 3.34Å; L127-L131 PolarHBondContact O-N 2.88Å; L127-L131 VanDerWaalsContact O-N 3.13Å; L127-F213 HydrophobicContact CB-CE2 3.83Å; L127-F213 HydrophobicContact CB-CZ 3.85Å; L127-F213 HydrophobicContact CD1-CE2 4.38Å; L127-F213 HydrophobicContact CD1-CZ 4.17Å; L127-F213 HydrophobicContact CD2-CD2 4.35Å; L127-F213 HydrophobicContact CD2-CE2 3.79Å; L127-F213 HydrophobicContact CD2-CZ 4.4Å; L127-F213 HydrophobicContact CG-CE2 4.2Å; L127-F213 HydrophobicContact CG-CZ 4.37Å; L127-T216 HydrophobicContact CD2-CG2 4.48Å; L127-A217 HydrophobicContact CD1-CB 3.69Å; L127-L220 HydrophobicContact CD2-CD2 4.1Å; L127-L220 HydrophobicContact CG-CD2 4.2Å; L127-M267 HydrophobicContact CD1-CE 4.22Å; L127-F291 HydrophobicContact CB-CE1 3.89Å
128R98.7Very high97.7Very high66 Ų6618.3 Ų18.325%0.2499%0.086CC..Hα-helixtrans-63.8-54.8167.9-178-171.864.6-141.4-7.8109.7A124 T125 I126 V130 L131 E132 L286 F291 A294 K295A124-R128 WeakPolarHBondContact O-CB 3.48Å; A124-R128 PolarHBondContact O-N 3.06Å; A124-R128 VanDerWaalsContact O-N 3.13Å; T125-R128 PolarHBondContact O-N 3.4Å; I126-R128 VanDerWaalsContact C-N 3.31Å; I126-R128 PolarHBondContact O-N 3.06Å; R128-V130 PolarHBondContact O-N 2.91Å; R128-L131 WeakPolarHBondContact O-CA 3.42Å; R128-L131 WeakPolarHBondContact O-CB 3.29Å; R128-L131 PolarHBondContact O-N 3.25Å; R128-E132 WeakPolarHBondContact O-CG 3.49Å; R128-E132 PolarHBondContact O-N 3.42Å; R128-L286 HydrophobicContact CG-CD2 3.69Å; R128-F291 HydrophobicContact CB-CD1 4.14Å; R128-A294 HydrophobicContact CB-CB 4.5Å; R128-K295 PolarHBondContact NH1-O 2.99Å; R128-K295 PolarHBondContact NH2-O 3.09Å
129E98.6Very high97.6Very high39 Ų3925.1 Ų25.118%0.18212%0.115CC..Hα-helixtrans-57.7-37.8-179.2-56.5-52.3118.100112.3N74 I126 E132 G133 V160N74-E129 VanDerWaalsContact CB-O 3.22Å; N74-E129 WeakPolarHBondContact CB-O 3.49Å; N74-E129 WeakPolarHBondContact ND2-CB 3.3Å; N74-E129 PolarHBondContact ND2-OE2 2.96Å; I126-E129 PolarHBondContact O-N 3.43Å; E129-E132 PolarHBondContact O-N 2.98Å; E129-G133 PolarHBondContact O-N 3.17Å; E129-V160 HydrophobicContact CB-CB 3.65Å; E129-V160 HydrophobicContact CB-CG1 4.01Å; E129-V160 HydrophobicContact CB-CG2 4.3Å; E129-V160 HydrophobicContact CG-CB 3.89Å; E129-V160 HydrophobicContact CG-CG2 4.04Å
130V98.7Very high97.3Very high1 Ų127 Ų271%0.00613%0.126CC..Hα-helixtrans-64.3-39.5173175.70000111.7I126 R128 G133 L134 V147 I152 V160 I162 F213I126-V130 WeakPolarHBondContact O-CG2 3.43Å; I126-V130 PolarHBondContact O-N 3.37Å; R128-V130 PolarHBondContact O-N 2.91Å; V130-G133 PolarHBondContact O-N 3.23Å; V130-L134 HydrophobicContact CG1-CD1 4.11Å; V130-L134 HydrophobicContact CG1-CG 4.4Å; V130-L134 WeakPolarHBondContact O-CB 3.43Å; V130-L134 WeakPolarHBondContact O-CG 3.22Å; V130-L134 PolarHBondContact O-N 3.13Å; V130-V147 HydrophobicContact CG1-CG1 4.48Å; V130-I152 HydrophobicContact CG2-CD1 3.71Å; V130-I152 HydrophobicContact CG2-CG1 3.85Å; V130-I152 HydrophobicContact CG2-CG2 3.93Å; V130-V160 HydrophobicContact CG2-CG1 4.43Å; V130-I162 HydrophobicContact CG1-CD1 3.98Å; V130-I162 HydrophobicContact CG1-CG1 4.34Å; V130-F213 HydrophobicContact CB-CE2 4.35Å; V130-F213 HydrophobicContact CG1-CD2 3.88Å; V130-F213 HydrophobicContact CG1-CE2 4.1Å
131L98.8Very high96.7Very high0 Ų029.2 Ų29.20%015%0.153CC..Hα-helixtrans-69.9-36.3175.9-73.2171.8000113.1L127 R128 G133 L134 E135 F213 A282 L285 L286 F291L127-L131 WeakPolarHBondContact O-CG 3.34Å; L127-L131 PolarHBondContact O-N 2.88Å; L127-L131 VanDerWaalsContact O-N 3.13Å; R128-L131 WeakPolarHBondContact O-CA 3.42Å; R128-L131 WeakPolarHBondContact O-CB 3.29Å; R128-L131 PolarHBondContact O-N 3.25Å; L131-G133 VanDerWaalsContact C-N 3.31Å; L131-L134 PolarHBondContact O-N 3.19Å; L131-E135 WeakPolarHBondContact O-CB 3.44Å; L131-E135 PolarHBondContact O-N 3.28Å; L131-F213 HydrophobicContact CD1-CE1 4.16Å; L131-F213 HydrophobicContact CD1-CE2 4.25Å; L131-F213 HydrophobicContact CD1-CZ 3.6Å; L131-F213 HydrophobicContact CD2-CD1 4.2Å; L131-F213 HydrophobicContact CD2-CD2 4.11Å; L131-F213 HydrophobicContact CD2-CE1 3.87Å; L131-F213 HydrophobicContact CD2-CE2 3.76Å; L131-F213 HydrophobicContact CD2-CG 4.32Å; L131-F213 HydrophobicContact CD2-CZ 3.64Å; L131-F213 HydrophobicContact CG-CD2 4.39Å; L131-F213 HydrophobicContact CG-CE1 4.15Å; L131-F213 HydrophobicContact CG-CE2 3.59Å; L131-F213 HydrophobicContact CG-CZ 3.45Å; L131-F213 VanDerWaalsContact CG-CZ 3.45Å; L131-A282 HydrophobicContact CD2-CB 3.98Å; L131-L285 HydrophobicContact CD1-CB 3.58Å; L131-L285 HydrophobicContact CD2-CB 3.99Å; L131-L285 HydrophobicContact CD2-CD1 3.81Å; L131-L285 HydrophobicContact CG-CB 4.45Å; L131-L286 HydrophobicContact CB-CD1 4.26Å; L131-L286 HydrophobicContact CB-CD2 3.62Å; L131-L286 HydrophobicContact CB-CG 3.72Å; L131-L286 HydrophobicContact CD1-CD2 4.16Å; L131-L286 HydrophobicContact CD1-CG 4.21Å; L131-F291 HydrophobicContact CD1-CD2 4.47Å; L131-F291 HydrophobicContact CD1-CE1 3.85Å; L131-F291 HydrophobicContact CD1-CE2 3.73Å; L131-F291 HydrophobicContact CD1-CZ 3.38Å
132E98.6Very high96.3Very high72 Ų7230.3 Ų30.334%0.33616%0.155SC..Hα-helixtrans-60.6-43.7172.3-57.8-70.9168.800110.2H72 R128 E129 Y136 L286H72-E132 PolarHBondContact CE1-O 2.9Å; R128-E132 WeakPolarHBondContact O-CG 3.49Å; R128-E132 PolarHBondContact O-N 3.42Å; E129-E132 PolarHBondContact O-N 2.98Å; E132-Y136 PolarHBondContact O-N 3.07Å; E132-Y136 VanDerWaalsContact O-N 3.07Å; E132-L286 HydrophobicContact CG-CD1 4.42Å; E132-L286 HydrophobicContact CG-CD2 4.26Å; E132-L286 WeakPolarHBondContact OE1-CD2 3.45Å
133G97.9Very high95.8Very high0 Ų031.7 Ų31.70%016%0.162CC..Hα-helixtrans-63.2-43.9174.300000113.9E129 V130 L131 Y136 L137E129-G133 PolarHBondContact O-N 3.17Å; V130-G133 PolarHBondContact O-N 3.23Å; L131-G133 VanDerWaalsContact C-N 3.31Å; G133-Y136 PolarHBondContact O-N 3.06Å; G133-L137 PolarHBondContact O-N 2.88Å; G133-L137 VanDerWaalsContact O-N 3.12Å
134L97.8Very high95.4Very high0 Ų031.7 Ų31.70%016%0.162CC..Hα-helixtrans-67.7-41.5176-71.3176.5000111.9V130 L131 Y136 L137 H138 H144 V147 I162 D209 F213 A282V130-L134 HydrophobicContact CG1-CD1 4.11Å; V130-L134 HydrophobicContact CG1-CG 4.4Å; V130-L134 WeakPolarHBondContact O-CB 3.43Å; V130-L134 WeakPolarHBondContact O-CG 3.22Å; V130-L134 PolarHBondContact O-N 3.13Å; L131-L134 PolarHBondContact O-N 3.19Å; L134-Y136 VanDerWaalsContact C-N 3.28Å; L134-Y136 PolarHBondContact O-N 2.94Å; L134-L137 PolarHBondContact O-N 3.45Å; L134-L137 VanDerWaalsContact O-N 3.17Å; L134-H138 WeakPolarHBondContact O-CB 3.44Å; L134-H138 PolarHBondContact O-CD2 3.21Å; L134-H138 PolarHBondContact O-N 2.86Å; L134-H144 HydrophobicContact CD2-CB 3.87Å; L134-V147 HydrophobicContact CD1-CG2 4.47Å; L134-V147 HydrophobicContact CD2-CG2 3.98Å; L134-I162 HydrophobicContact CD2-CD1 4.03Å; L134-I162 HydrophobicContact CG-CD1 3.91Å; L134-D209 HydrophobicContact CD2-CB 4.13Å; L134-F213 HydrophobicContact CD1-CB 4.32Å; L134-F213 HydrophobicContact CD1-CD2 4.26Å; L134-A282 HydrophobicContact CB-CB 4.34Å
135E98.2Very high94.9Very high32 Ų3234.5 Ų34.515%0.1517%0.173CC..Hα-helixtrans-60.1-40.2176-173.6174.6161.200111.4L131 K139 A282 A283 L286L131-E135 WeakPolarHBondContact O-CB 3.44Å; L131-E135 PolarHBondContact O-N 3.28Å; E135-K139 HydrophobicContact CG-CD 4Å; E135-K139 HydrophobicContact CG-CG 4.41Å; E135-K139 VanDerWaalsContact O-CB 3.29Å; E135-K139 WeakPolarHBondContact O-CB 3.47Å; E135-K139 VanDerWaalsContact O-CG 3.28Å; E135-K139 WeakPolarHBondContact O-CG 3.36Å; E135-K139 PolarHBondContact O-N 3.27Å; E135-K139 WeakPolarHBondContact OE1-CE 3.38Å; E135-K139 IonicContact OE1-NZ 2.59Å; E135-K139 PolarHBondContact OE1-NZ 2.99Å; E135-A282 HydrophobicContact CB-CB 3.81Å; E135-A283 VanDerWaalsContact CD-CB 3.46Å; E135-A283 HydrophobicContact CG-CB 4.27Å; E135-A283 WeakPolarHBondContact OE1-CB 3.34Å; E135-A283 WeakPolarHBondContact OE2-CA 3.46Å; E135-A283 WeakPolarHBondContact OE2-CB 3.37Å; E135-A283 PolarHBondContact OE2-N 2.7Å; E135-L286 VanDerWaalsContact OE2-CD1 3.31Å; E135-L286 WeakPolarHBondContact OE2-CD1 3.29Å
136Y97.2Very high94.4Very high45 Ų4535 Ų3518%0.17618%0.176CC..Hα-helixtrans-59.7-50172.5173-92.7000112.2C70 H71 H72 I75 E132 G133 L134 N140C70-Y136 HydrophobicContact CB-CE1 4.15Å; H71-Y136 PolarHBondContact N-OH 2.86Å; H71-Y136 PolarHBondContact O-OH 3.26Å; H72-Y136 HydrophobicContact CB-CD1 3.63Å; H72-Y136 HydrophobicContact CB-CD2 3.99Å; H72-Y136 HydrophobicContact CB-CE1 3.93Å; H72-Y136 HydrophobicContact CB-CE2 4.26Å; H72-Y136 HydrophobicContact CB-CG 3.67Å; H72-Y136 AromaticContact CD2-CD2 3.51Å; H72-Y136 AromaticContact CD2-CG 3.59Å; H72-Y136 AromaticContact CG-CD2 3.93Å; H72-Y136 AromaticContact CG-CG 3.61Å; I75-Y136 HydrophobicContact CG1-CD1 4.38Å; E132-Y136 PolarHBondContact O-N 3.07Å; E132-Y136 VanDerWaalsContact O-N 3.07Å; G133-Y136 PolarHBondContact O-N 3.06Å; L134-Y136 VanDerWaalsContact C-N 3.28Å; L134-Y136 PolarHBondContact O-N 2.94Å; Y136-N140 WeakPolarHBondContact CE2-ND2 3.35Å; Y136-N140 PolarHBondContact O-N 3.3Å; Y136-N140 PolarHBondContact O-ND2 2.9Å
137L93.8Very high94.2Very high0 Ų035.1 Ų35.10%018%0.176CC..Hα-helixtrans-61.2-47.9178.7-71176.5000111.4I75 G133 L134 K139 N140 G141 Q142 H144 F165I75-L137 HydrophobicContact CD1-CD1 3.77Å; I75-L137 HydrophobicContact CD1-CD2 4.46Å; I75-L137 HydrophobicContact CD1-CG 3.98Å; I75-L137 HydrophobicContact CG1-CG 4.46Å; G133-L137 PolarHBondContact O-N 2.88Å; G133-L137 VanDerWaalsContact O-N 3.12Å; L134-L137 PolarHBondContact O-N 3.45Å; L134-L137 VanDerWaalsContact O-N 3.17Å; L137-K139 PolarHBondContact O-N 3.47Å; L137-N140 CarbonylContact O-C 3.57Å; L137-N140 WeakPolarHBondContact O-CA 3.47Å; L137-N140 PolarHBondContact O-N 3.37Å; L137-G141 PolarHBondContact O-N 2.85Å; L137-Q142 CarbonylContact C-O 3.57Å; L137-Q142 HydrophobicContact CB-CB 4.08Å; L137-Q142 HydrophobicContact CD2-CB 4.06Å; L137-Q142 WeakPolarHBondContact O-CB 3.45Å; L137-Q142 PolarHBondContact O-N 2.83Å; L137-H144 HydrophobicContact CD1-CB 4.15Å; L137-F165 HydrophobicContact CD1-CD2 4.16Å; L137-F165 HydrophobicContact CD2-CD1 4.27Å; L137-F165 HydrophobicContact CD2-CD2 4.28Å; L137-F165 HydrophobicContact CD2-CE1 4.14Å; L137-F165 HydrophobicContact CD2-CE2 4.16Å; L137-F165 HydrophobicContact CD2-CG 4.36Å; L137-F165 HydrophobicContact CD2-CZ 4.1Å
138H93.9Very high94Very high24 Ų2436.7 Ų36.711%0.11118%0.183CC..Hα-helixtrans-64.3-39.1-176.2-61.1178000111.8L134 N140 G141 Q142 F206 D209L134-H138 WeakPolarHBondContact O-CB 3.44Å; L134-H138 PolarHBondContact O-CD2 3.21Å; L134-H138 PolarHBondContact O-N 2.86Å; H138-N140 VanDerWaalsContact C-N 3.26Å; H138-N140 PolarHBondContact O-N 3.32Å; H138-G141 PolarHBondContact O-N 3.3Å; H138-G141 VanDerWaalsContact O-N 3.14Å; H138-Q142 PolarHBondContact CD2-O 2.91Å; H138-F206 HydrophobicContact CB-CB 4.24Å; H138-F206 HydrophobicContact CB-CD2 4.03Å; H138-F206 HydrophobicContact CB-CG 4.16Å; H138-F206 AromaticContact CE1-CD2 3.98Å; H138-F206 PolarHBondContact CE1-O 3.44Å; H138-F206 AromaticContact CG-CD2 3.75Å; H138-F206 AromaticContact CG-CG 3.97Å; H138-F206 AromaticContact ND1-CD2 3.44Å; H138-F206 WeakPolarHBondContact ND1-CD2 3.39Å; H138-D209 IonicContact CD2-OD2 3.51Å; H138-D209 IonicContact CE1-OD2 2.71Å; H138-D209 IonicContact NE2-OD2 3.86Å; H138-D209 PolarHBondContact NE2-OD2 3.08Å
139K94.1Very high93.8Very high152 Ų15233.5 Ų33.566%0.66117%0.171SC*.Hα-helixtrans-63-29.4172.7-81172.7169.1167.80113.7E135 L137 G141E135-K139 HydrophobicContact CG-CD 4Å; E135-K139 HydrophobicContact CG-CG 4.41Å; E135-K139 VanDerWaalsContact O-CB 3.29Å; E135-K139 WeakPolarHBondContact O-CB 3.47Å; E135-K139 VanDerWaalsContact O-CG 3.28Å; E135-K139 WeakPolarHBondContact O-CG 3.36Å; E135-K139 PolarHBondContact O-N 3.27Å; E135-K139 WeakPolarHBondContact OE1-CE 3.38Å; E135-K139 IonicContact OE1-NZ 2.59Å; E135-K139 PolarHBondContact OE1-NZ 2.99Å; L137-K139 PolarHBondContact O-N 3.47Å; K139-G141 VanDerWaalsContact C-N 3.31Å
140N89.6Confident93.5Very high86 Ų8632.6 Ų32.646%0.4617%0.172SC..THydrogen-bonded Turntrans-92.213.7176.6-70-76.3000112.9Y136 L137 H138 Q142Y136-N140 WeakPolarHBondContact CE2-ND2 3.35Å; Y136-N140 PolarHBondContact O-N 3.3Å; Y136-N140 PolarHBondContact O-ND2 2.9Å; L137-N140 CarbonylContact O-C 3.57Å; L137-N140 WeakPolarHBondContact O-CA 3.47Å; L137-N140 PolarHBondContact O-N 3.37Å; H138-N140 VanDerWaalsContact C-N 3.26Å; H138-N140 PolarHBondContact O-N 3.32Å; N140-Q142 HydrophobicContact CB-CG 4.4Å; N140-Q142 PolarHBondContact O-N 3.29Å
141G86.7Confident93.3Very high65 Ų6533.2 Ų33.267%0.6718%0.175SC*.THydrogen-bonded Turntrans7212.8178.700000114.7L137 H138 K139L137-G141 PolarHBondContact O-N 2.85Å; H138-G141 PolarHBondContact O-N 3.3Å; H138-G141 VanDerWaalsContact O-N 3.14Å; K139-G141 VanDerWaalsContact C-N 3.31Å
142Q87.9Confident93.2Very high52 Ų5233.2 Ų33.224%0.24318%0.175CC..  trans-93.3153.4-179.5-55.2-57.7-29.800111.4L137 H138 N140 F165L137-Q142 CarbonylContact C-O 3.57Å; L137-Q142 HydrophobicContact CB-CB 4.08Å; L137-Q142 HydrophobicContact CD2-CB 4.06Å; L137-Q142 WeakPolarHBondContact O-CB 3.45Å; L137-Q142 PolarHBondContact O-N 2.83Å; H138-Q142 PolarHBondContact CD2-O 2.91Å; N140-Q142 HydrophobicContact CB-CG 4.4Å; N140-Q142 PolarHBondContact O-N 3.29Å; Q142-F165 HydrophobicContact CB-CE2 3.96Å; Q142-F165 HydrophobicContact CB-CZ 3.77Å; Q142-F165 HydrophobicContact CG-CZ 3.89Å
143I88.3Confident93.1Very high30 Ų3031.7 Ų31.715%0.15417%0.169CC..  trans-126.2133.1175.5-50.1171.1000107.5R145 Y204 F206 D209I143-R145 HydrophobicContact CB-CG 4.28Å; I143-R145 HydrophobicContact CG2-CG 4.02Å; I143-Y204 HydrophobicContact CD1-CD2 4.29Å; I143-Y204 HydrophobicContact CD1-CE2 4.23Å; I143-Y204 HydrophobicContact CG2-CE2 4.08Å; I143-F206 HydrophobicContact CG1-CB 4.25Å; I143-D209 WeakPolarHBondContact CG2-OD1 3.28Å; I143-D209 WeakPolarHBondContact CG2-OD2 3.49Å
144H90.3Very high93Very high0 Ų031.8 Ų31.80%017%0.17CC..  trans-76-34.1-177.5-165-88000113.2L134 L137 D146 V147 I162 A163 F165 A169 D209L134-H144 HydrophobicContact CD2-CB 3.87Å; L137-H144 HydrophobicContact CD1-CB 4.15Å; H144-D146 PolarHBondContact CE1-O 3.23Å; H144-D146 PolarHBondContact ND1-O 3.14Å; H144-D146 PolarHBondContact O-N 2.82Å; H144-V147 HydrophobicContact CB-CG2 3.78Å; H144-I162 VanDerWaalsContact NE2-CG2 3.32Å; H144-I162 WeakPolarHBondContact NE2-CG2 3.05Å; H144-A163 PolarHBondContact CE1-O 3.43Å; H144-A163 PolarHBondContact NE2-O 3.44Å; H144-A163 VanDerWaalsContact NE2-O 3.08Å; H144-F165 PolarHBondContact NE2-N 3.32Å; H144-A169 WeakPolarHBondContact O-CB 3.17Å; H144-D209 PolarHBondContact N-OD1 2.98Å; H144-D209 PolarHBondContact N-OD2 2.72Å
145R87.7Confident92.8Very high60 Ų6032 Ų3223%0.22617%0.171CC..  trans65.2-30.8177.1-42.3175175.3136.7-1.7115.9E63 I143 A169 T173 Y204 D209E63-R145 IonicContact OE1-CZ 2.69Å; E63-R145 IonicContact OE1-NH1 3.38Å; E63-R145 PolarHBondContact OE1-NH1 3.01Å; E63-R145 IonicContact OE1-NH2 3.55Å; E63-R145 PolarHBondContact OE1-NH2 2.64Å; E63-R145 IonicContact OE2-NH1 3.75Å; I143-R145 HydrophobicContact CB-CG 4.28Å; I143-R145 HydrophobicContact CG2-CG 4.02Å; R145-A169 HydrophobicContact CB-CB 4.21Å; R145-T173 HydrophobicContact CB-CG2 3.8Å; R145-Y204 VanDerWaalsContact CD-OH 3.29Å; R145-Y204 WeakPolarHBondContact CD-OH 3.46Å; R145-Y204 HydrophobicContact CG-CE2 4.31Å; R145-Y204 WeakPolarHBondContact CG-OH 3.39Å; R145-D209 PolarHBondContact N-OD1 3.15Å
146D88.1Confident92.5Very high12 Ų1236.6 Ų36.66%0.06419%0.193CC..  trans-126.359.6-176.2-164.229.5000112.5H144 K148 N151H144-D146 PolarHBondContact CE1-O 3.23Å; H144-D146 PolarHBondContact ND1-O 3.14Å; H144-D146 PolarHBondContact O-N 2.82Å; D146-K148 WeakPolarHBondContact OD1-CE 3.43Å; D146-K148 IonicContact OD1-NZ 3.45Å; D146-K148 PolarHBondContact OD1-NZ 3.09Å; D146-K148 VanDerWaalsContact OD2-CE 3.31Å; D146-K148 WeakPolarHBondContact OD2-CE 3.4Å; D146-K148 IonicContact OD2-NZ 3.48Å; D146-K148 PolarHBondContact OD2-NZ 3.4Å; D146-N151 VanDerWaalsContact CG-ND2 3.28Å; D146-N151 PolarHBondContact O-ND2 3.2Å; D146-N151 PolarHBondContact OD2-ND2 3.4Å
147V94.5Very high92.3Very high1 Ų137.5 Ų37.51%0.00620%0.2CC..  trans-85.7112.6176.8-173.30000110.2V130 L134 H144 W192 D209 F213 T216V130-V147 HydrophobicContact CG1-CG1 4.48Å; L134-V147 HydrophobicContact CD1-CG2 4.47Å; L134-V147 HydrophobicContact CD2-CG2 3.98Å; H144-V147 HydrophobicContact CB-CG2 3.78Å; V147-W192 VanDerWaalsContact O-CD1 3.25Å; V147-D209 HydrophobicContact CG2-CB 4.16Å; V147-F213 HydrophobicContact CG1-CB 4.5Å; V147-T216 PolarHBondContact O-OG1 2.84Å; V147-T216 VanDerWaalsContact O-OG1 3.08Å
148K94.2Very high92.3Very high33 Ų3337.6 Ų37.614%0.14320%0.201CC..SBendtrans-157162.6178.562.4-163.9177.9-148.40111D146 G150 N151 I152 T189 W192 T216D146-K148 WeakPolarHBondContact OD1-CE 3.43Å; D146-K148 IonicContact OD1-NZ 3.45Å; D146-K148 PolarHBondContact OD1-NZ 3.09Å; D146-K148 VanDerWaalsContact OD2-CE 3.31Å; D146-K148 WeakPolarHBondContact OD2-CE 3.4Å; D146-K148 IonicContact OD2-NZ 3.48Å; D146-K148 PolarHBondContact OD2-NZ 3.4Å; K148-G150 PolarHBondContact O-N 2.8Å; K148-G150 VanDerWaalsContact O-N 3.15Å; K148-N151 HydrophobicContact CG-CB 4.31Å; K148-N151 PolarHBondContact O-N 2.72Å; K148-I152 PolarHBondContact O-N 3.02Å; K148-T189 PolarHBondContact NZ-OG1 2.64Å; K148-W192 HydrophobicContact CB-CD2 4.04Å; K148-W192 HydrophobicContact CB-CG 4Å; K148-W192 HydrophobicContact CB-CZ2 4.3Å; K148-W192 VanDerWaalsContact CB-NE1 3.33Å; K148-T216 WeakPolarHBondContact CA-OG1 3.35Å
149A95.7Very high92.4Very high0 Ų037.5 Ų37.50%020%0.203CC..G310 helixtrans-62.9-24.3-176.300000114.3V100 L101 I104 N151 I152 E219 L220V100-A149 HydrophobicContact CB-CB 4.11Å; V100-A149 HydrophobicContact CG1-CB 4.13Å; V100-A149 PolarHBondContact N-O 3.14Å; L101-A149 HydrophobicContact CB-CB 4.39Å; L101-A149 PolarHBondContact N-O 2.97Å; L101-A149 VanDerWaalsContact N-O 3.14Å; I104-A149 HydrophobicContact CD1-CB 3.79Å; A149-N151 VanDerWaalsContact C-N 3.25Å; A149-N151 PolarHBondContact O-N 3.4Å; A149-I152 PolarHBondContact O-N 3.32Å; A149-E219 HydrophobicContact CB-CG 4.05Å; A149-E219 WeakPolarHBondContact CB-OE1 3.09Å; A149-E219 WeakPolarHBondContact CB-OE2 3.41Å; A149-E219 PolarHBondContact N-OE1 3.23Å; A149-E219 PolarHBondContact N-OE2 3.36Å; A149-L220 HydrophobicContact CB-CD1 3.78Å
150G91.4Very high92.6Very high19 Ų1930.3 Ų30.320%0.19617%0.172CC..G310 helixtrans-64.3-28.4171.600000113.8S99 K148S99-G150 VanDerWaalsContact CB-O 3.3Å; S99-G150 WeakPolarHBondContact CB-O 3.36Å; K148-G150 PolarHBondContact O-N 2.8Å; K148-G150 VanDerWaalsContact O-N 3.15Å
151N94Very high93Very high14 Ų1426.6 Ų26.68%0.07515%0.152CC..G310 helixtrans-99.65.9-178.9-64.70.1000112.5D146 K148 A149 I162 A163D146-N151 VanDerWaalsContact CG-ND2 3.28Å; D146-N151 PolarHBondContact O-ND2 3.2Å; D146-N151 PolarHBondContact OD2-ND2 3.4Å; K148-N151 HydrophobicContact CG-CB 4.31Å; K148-N151 PolarHBondContact O-N 2.72Å; A149-N151 VanDerWaalsContact C-N 3.25Å; A149-N151 PolarHBondContact O-N 3.4Å; N151-I162 WeakPolarHBondContact O-CA 3.44Å; N151-A163 PolarHBondContact O-N 2.89Å
152I97Very high93.5Very high0 Ų023.6 Ų23.60%012%0.121CC..EExtended strand (participates in β ladder)trans-100.6110.3170-58.3167000107.3S99 V100 I126 V130 K148 A149 V160 T216S99-I152 CarbonylContact C-O 3.53Å; S99-I152 VanDerWaalsContact CA-O 3.28Å; S99-I152 WeakPolarHBondContact CA-O 3.27Å; V100-I152 HydrophobicContact CB-CB 4.35Å; V100-I152 HydrophobicContact CG2-CB 3.91Å; V100-I152 HydrophobicContact CG2-CG2 3.64Å; V100-I152 PolarHBondContact N-O 2.87Å; I126-I152 HydrophobicContact CG2-CG2 3.9Å; V130-I152 HydrophobicContact CG2-CD1 3.71Å; V130-I152 HydrophobicContact CG2-CG1 3.85Å; V130-I152 HydrophobicContact CG2-CG2 3.93Å; K148-I152 PolarHBondContact O-N 3.02Å; A149-I152 PolarHBondContact O-N 3.32Å; I152-V160 HydrophobicContact CG2-CG1 3.53Å; I152-T216 HydrophobicContact CD1-CG2 3.64Å
153L96.2Very high93.7Very high41 Ų4121.5 Ų21.522%0.21511%0.112CC..EExtended strand (participates in β ladder)trans-105150.6-176.2-59.6-170.2000112.4V76 L95 G98 V160 Q161 A163V76-L153 HydrophobicContact CG2-CD1 4.26Å; L95-L153 HydrophobicContact CB-CB 4.15Å; L95-L153 HydrophobicContact CD1-CB 3.5Å; L95-L153 VanDerWaalsContact CD1-CB 3.5Å; L95-L153 HydrophobicContact CD1-CD1 4.24Å; L95-L153 HydrophobicContact CG-CB 4.5Å; G98-L153 CarbonylContact O-C 3.6Å; G98-L153 WeakPolarHBondContact O-CA 3.35Å; L153-V160 WeakPolarHBondContact O-CA 3.21Å; L153-Q161 PolarHBondContact N-O 2.87Å; L153-Q161 PolarHBondContact O-N 3.4Å; L153-A163 HydrophobicContact CD1-CB 3.64Å; L153-A163 HydrophobicContact CG-CB 3.78Å
154L96Very high93.3Very high2 Ų222.1 Ų22.11%0.0112%0.116CC..EExtended strand (participates in β ladder)trans-114.6127.5-177.2-55.9178.1000111.5L95 G97 G98 V100 I103 S159 V160 I304 L305L95-L154 CarbonylContact C-O 3.05Å; G97-L154 WeakPolarHBondContact CA-O 3.41Å; G97-L154 PolarHBondContact N-O 2.68Å; G98-L154 PolarHBondContact O-N 2.98Å; V100-L154 HydrophobicContact CG2-CD1 4.47Å; V100-L154 HydrophobicContact CG2-CD2 4.2Å; V100-L154 HydrophobicContact CG2-CG 4.33Å; I103-L154 HydrophobicContact CD1-CD1 4.45Å; I103-L154 HydrophobicContact CG1-CD1 4.02Å; L154-S159 CarbonylContact C-O 3.44Å; L154-S159 WeakPolarHBondContact CA-O 3.48Å; L154-V160 HydrophobicContact CD2-CB 4.43Å; L154-V160 HydrophobicContact CD2-CG1 4.35Å; L154-V160 HydrophobicContact CD2-CG2 3.81Å; L154-I304 HydrophobicContact CD1-CG2 4.07Å; L154-L305 HydrophobicContact CB-CD2 4.01Å; L154-L305 HydrophobicContact CD1-CD2 3.9Å
155G94.2Very high92.7Very high3 Ų322.6 Ų22.63%0.03112%0.118CC..  trans-79.6156.8168.400000112.2D157 G158 S159 L305G155-D157 PolarHBondContact O-N 3.31Å; G155-D157 VanDerWaalsContact O-N 3.15Å; G155-G158 PolarHBondContact O-N 3.05Å; G155-S159 PolarHBondContact N-O 3.07Å; G155-L305 WeakPolarHBondContact O-CD1 3.48Å
156E91.9Very high92Very high130 Ų13019.8 Ų19.861%0.60711%0.108SC*.THydrogen-bonded Turntrans-60.3-23.5178.1-64.8176.9-159.700113.2S96 G158 Q301S96-E156 WeakPolarHBondContact CB-OE1 3.3Å; S96-E156 PolarHBondContact OG-OE1 3.41Å; E156-G158 VanDerWaalsContact C-N 3.28Å; E156-G158 PolarHBondContact O-N 3.49Å; E156-Q301 PolarHBondContact O-NE2 2.82Å
157D92.5Very high91.1Very high63 Ų6319.2 Ų19.234%0.33710%0.104SC..THydrogen-bonded Turntrans-84.65.417680.2-46.7000114.1G155 S159 K297G155-D157 PolarHBondContact O-N 3.31Å; G155-D157 VanDerWaalsContact O-N 3.15Å; D157-S159 VanDerWaalsContact C-N 3.34Å; D157-S159 WeakPolarHBondContact OD1-CB 3.38Å; D157-S159 PolarHBondContact OD1-N 3.26Å; D157-S159 VanDerWaalsContact OD1-N 3.11Å; D157-S159 PolarHBondContact OD1-OG 3.22Å; D157-K297 WeakPolarHBondContact O-CD 3.48Å; D157-K297 IonicContact OD2-NZ 2.75Å; D157-K297 PolarHBondContact OD2-NZ 3.46Å
158G94.6Very high89.6Confident2 Ų219.6 Ų19.62%0.02111%0.108CC..SBendtrans80.56.8-174.900000114.9G155 E156 K297G155-G158 PolarHBondContact O-N 3.05Å; E156-G158 VanDerWaalsContact C-N 3.28Å; E156-G158 PolarHBondContact O-N 3.49Å; G158-K297 WeakPolarHBondContact O-CB 3.26Å
159S96.6Very high88.2Confident22 Ų2218 Ų1815%0.15410%0.101CC..  trans-64148.4171.756.20000111.8L154 G155 D157L154-S159 CarbonylContact C-O 3.44Å; L154-S159 WeakPolarHBondContact CA-O 3.48Å; G155-S159 PolarHBondContact N-O 3.07Å; D157-S159 VanDerWaalsContact C-N 3.34Å; D157-S159 WeakPolarHBondContact OD1-CB 3.38Å; D157-S159 PolarHBondContact OD1-N 3.26Å; D157-S159 VanDerWaalsContact OD1-N 3.11Å; D157-S159 PolarHBondContact OD1-OG 3.22Å
160V98.2Very high87Confident1 Ų118.9 Ų18.91%0.00610%0.104CC..EExtended strand (participates in β ladder)trans-122.9124.5-179.1-176.10000108.5N74 I126 E129 V130 I152 L153 L154 L300N74-V160 PolarHBondContact ND2-O 2.97Å; N74-V160 VanDerWaalsContact ND2-O 3.1Å; I126-V160 HydrophobicContact CG2-CG1 4.12Å; E129-V160 HydrophobicContact CB-CB 3.65Å; E129-V160 HydrophobicContact CB-CG1 4.01Å; E129-V160 HydrophobicContact CB-CG2 4.3Å; E129-V160 HydrophobicContact CG-CB 3.89Å; E129-V160 HydrophobicContact CG-CG2 4.04Å; V130-V160 HydrophobicContact CG2-CG1 4.43Å; I152-V160 HydrophobicContact CG2-CG1 3.53Å; L153-V160 WeakPolarHBondContact O-CA 3.21Å; L154-V160 HydrophobicContact CD2-CB 4.43Å; L154-V160 HydrophobicContact CD2-CG1 4.35Å; L154-V160 HydrophobicContact CD2-CG2 3.81Å; V160-L300 HydrophobicContact CG2-CD1 3.49Å; V160-L300 VanDerWaalsContact CG2-CD1 3.49Å
161Q97.8Very high85.6Confident8 Ų819.4 Ų19.44%0.03710%0.103CC..EExtended strand (participates in β ladder)trans-134.2140.9-177.2-51.8-163.9-42.300111.7P73 N74 V76 L95 L153P73-Q161 WeakPolarHBondContact O-CG 3.34Å; P73-Q161 PolarHBondContact O-NE2 3.38Å; N74-Q161 CarbonylContact O-C 3.58Å; N74-Q161 WeakPolarHBondContact O-CA 3.41Å; V76-Q161 HydrophobicContact CG2-CB 3.73Å; L95-Q161 HydrophobicContact CD1-CB 3.85Å; L95-Q161 HydrophobicContact CD1-CG 4.07Å; L153-Q161 PolarHBondContact N-O 2.87Å; L153-Q161 PolarHBondContact O-N 3.4Å
162I96.4Very high83.8Confident2 Ų220.1 Ų20.11%0.0111%0.11CC..EExtended strand (participates in β ladder)trans-83.1129.2173.2-40.6174.5000109.5N74 I75 V76 V130 L134 H144 N151N74-I162 PolarHBondContact O-N 3.17Å; I75-I162 HydrophobicContact CD1-CB 3.98Å; I75-I162 HydrophobicContact CD1-CD1 3.94Å; I75-I162 HydrophobicContact CD1-CG1 4.15Å; V76-I162 WeakPolarHBondContact CG2-O 3.49Å; V76-I162 PolarHBondContact N-O 2.86Å; V130-I162 HydrophobicContact CG1-CD1 3.98Å; V130-I162 HydrophobicContact CG1-CG1 4.34Å; L134-I162 HydrophobicContact CD2-CD1 4.03Å; L134-I162 HydrophobicContact CG-CD1 3.91Å; H144-I162 VanDerWaalsContact NE2-CG2 3.32Å; H144-I162 WeakPolarHBondContact NE2-CG2 3.05Å; N151-I162 WeakPolarHBondContact O-CA 3.44Å
163A91.7Very high81.9Confident8 Ų820.6 Ų20.67%0.06611%0.113CC..  trans-105.9171.6177.900000111.9V76 H144 N151 L153 F165V76-A163 HydrophobicContact CB-CB 4.47Å; V76-A163 HydrophobicContact CG2-CB 3.8Å; H144-A163 PolarHBondContact CE1-O 3.43Å; H144-A163 PolarHBondContact NE2-O 3.44Å; H144-A163 VanDerWaalsContact NE2-O 3.08Å; N151-A163 PolarHBondContact O-N 2.89Å; L153-A163 HydrophobicContact CD1-CB 3.64Å; L153-A163 HydrophobicContact CG-CB 3.78Å; A163-F165 VanDerWaalsContact C-N 3.27Å; A163-F165 PolarHBondContact O-N 2.99Å
164D81.3Confident79.9Confident44 Ų4419.5 Ų19.524%0.23511%0.112CC..  trans63.621.4173.6-8216000116.6K46 S168 A169K46-D164 IonicContact NZ-OD1 2.71Å; K46-D164 PolarHBondContact NZ-OD1 3.27Å; K46-D164 IonicContact NZ-OD2 3.51Å; K46-D164 PolarHBondContact NZ-OD2 2.81Å; D164-S168 VanDerWaalsContact O-CB 3.31Å; D164-S168 WeakPolarHBondContact O-CB 3.28Å; D164-A169 WeakPolarHBondContact O-CB 3.33Å; D164-A169 PolarHBondContact O-N 3.42Å
165F77.3Confident78.1Confident10 Ų1019.9 Ų19.94%0.04412%0.116CC..THydrogen-bonded Turntrans-59.8163.2162.5178.8-117.4000112.8M67 C70 L137 Q142 H144 A163 V167M67-F165 HydrophobicContact CG-CD1 3.94Å; M67-F165 HydrophobicContact CG-CE1 4.22Å; C70-F165 HydrophobicContact CB-CE1 4.28Å; L137-F165 HydrophobicContact CD1-CD2 4.16Å; L137-F165 HydrophobicContact CD2-CD1 4.27Å; L137-F165 HydrophobicContact CD2-CD2 4.28Å; L137-F165 HydrophobicContact CD2-CE1 4.14Å; L137-F165 HydrophobicContact CD2-CE2 4.16Å; L137-F165 HydrophobicContact CD2-CG 4.36Å; L137-F165 HydrophobicContact CD2-CZ 4.1Å; Q142-F165 HydrophobicContact CB-CE2 3.96Å; Q142-F165 HydrophobicContact CB-CZ 3.77Å; Q142-F165 HydrophobicContact CG-CZ 3.89Å; H144-F165 PolarHBondContact NE2-N 3.32Å; A163-F165 VanDerWaalsContact C-N 3.27Å; A163-F165 PolarHBondContact O-N 2.99Å; F165-V167 PolarHBondContact O-N 3.08Å
166G72.9Confident76.1Confident0 Ų023.3 Ų23.30%013%0.134CC..THydrogen-bonded Turntrans66.5-118.6170.900000113.3E63 S168 A169 F170E63-G166 VanDerWaalsContact OE2-CA 3.3Å; E63-G166 WeakPolarHBondContact OE2-CA 3.4Å; G166-S168 PolarHBondContact O-N 3.14Å; G166-S168 VanDerWaalsContact O-N 3.14Å; G166-A169 WeakPolarHBondContact O-CB 3.47Å; G166-A169 PolarHBondContact O-N 3.05Å; G166-A169 VanDerWaalsContact O-N 3.16Å; G166-F170 WeakPolarHBondContact O-CB 3.45Å; G166-F170 PolarHBondContact O-N 2.78Å
167V68.4Low74Confident0 Ų020.4 Ų20.40%012%0.122CC..Hα-helixtrans-51.6-41.9-177.5170.90000112.1I48 L60 E63 I64 M67 L90 F165 L171I48-V167 HydrophobicContact CD1-CG1 3.7Å; L60-V167 HydrophobicContact CD2-CG1 3.64Å; L60-V167 HydrophobicContact CD2-CG2 4.46Å; E63-V167 HydrophobicContact CB-CB 4.45Å; E63-V167 HydrophobicContact CB-CG2 3.74Å; I64-V167 HydrophobicContact CG1-CG2 3.61Å; M67-V167 HydrophobicContact SD-CB 4.11Å; M67-V167 HydrophobicContact SD-CG2 4.01Å; M67-V167 PolarHBondContact SD-N 3.46Å; L90-V167 HydrophobicContact CD1-CB 4.25Å; L90-V167 HydrophobicContact CD1-CG1 4.37Å; F165-V167 PolarHBondContact O-N 3.08Å; V167-L171 HydrophobicContact CG1-CD1 3.86Å; V167-L171 HydrophobicContact CG1-CG 4.48Å; V167-L171 WeakPolarHBondContact O-CB 3.42Å; V167-L171 VanDerWaalsContact O-CG 3.26Å; V167-L171 WeakPolarHBondContact O-CG 3.33Å; V167-L171 PolarHBondContact O-N 2.83Å
168S63.6Low71.4Confident10 Ų1022.5 Ų22.57%0.0714%0.137CC..Hα-helixtrans-70.8-45.9-176.5-610000111.1K46 D164 G166 L171 A172K46-S168 PolarHBondContact NZ-OG 2.67Å; D164-S168 VanDerWaalsContact O-CB 3.31Å; D164-S168 WeakPolarHBondContact O-CB 3.28Å; G166-S168 PolarHBondContact O-N 3.14Å; G166-S168 VanDerWaalsContact O-N 3.14Å; S168-L171 PolarHBondContact O-N 2.94Å; S168-A172 WeakPolarHBondContact O-CB 3.4Å; S168-A172 PolarHBondContact O-N 3.48Å
169A63.7Low68.7Low0 Ų030 Ų300%017%0.165CC..Hα-helixtrans-59-46.3172.500000113H144 R145 D164 G166 A172 T173H144-A169 WeakPolarHBondContact O-CB 3.17Å; R145-A169 HydrophobicContact CB-CB 4.21Å; D164-A169 WeakPolarHBondContact O-CB 3.33Å; D164-A169 PolarHBondContact O-N 3.42Å; G166-A169 WeakPolarHBondContact O-CB 3.47Å; G166-A169 PolarHBondContact O-N 3.05Å; G166-A169 VanDerWaalsContact O-N 3.16Å; A169-A172 PolarHBondContact O-N 2.59Å; A169-T173 PolarHBondContact O-N 2.7Å; A169-T173 PolarHBondContact O-OG1 2.79Å
170F71.6Confident65.5Low17 Ų1736.9 Ų36.98%0.07520%0.2CC..Hα-helixtrans-58.5-49177.2177.3-94.6000111.8E59 E63 G166 G174 G175 D176E59-F170 HydrophobicContact CB-CE1 4.17Å; E59-F170 HydrophobicContact CB-CZ 3.96Å; E59-F170 HydrophobicContact CG-CZ 4.3Å; E63-F170 HydrophobicContact CG-CB 3.82Å; E63-F170 HydrophobicContact CG-CD1 4.5Å; E63-F170 HydrophobicContact CG-CD2 4Å; E63-F170 HydrophobicContact CG-CG 3.87Å; E63-F170 VanDerWaalsContact OE1-CD2 3.32Å; E63-F170 WeakPolarHBondContact OE1-CD2 3.38Å; G166-F170 WeakPolarHBondContact O-CB 3.45Å; G166-F170 PolarHBondContact O-N 2.78Å; F170-G174 PolarHBondContact O-N 3.3Å; F170-G175 WeakPolarHBondContact O-CA 3.24Å; F170-G175 PolarHBondContact O-N 2.97Å; F170-D176 HydrophobicContact CE2-CB 4.23Å
171L62.6Low62.4Low31 Ų3145.9 Ų45.916%0.16224%0.239CC..Hα-helixtrans-65.5-41.5176-70.1172.3000111.8I48 C53 T55 L60 V167 S168 T173 G174I48-L171 HydrophobicContact CD1-CD1 4.45Å; I48-L171 HydrophobicContact CG2-CD1 4.02Å; C53-L171 HydrophobicContact CB-CD1 4.49Å; C53-L171 HydrophobicContact CB-CD2 3.84Å; T55-L171 HydrophobicContact CG2-CD2 3.84Å; L60-L171 HydrophobicContact CD2-CD1 4.36Å; V167-L171 HydrophobicContact CG1-CD1 3.86Å; V167-L171 HydrophobicContact CG1-CG 4.48Å; V167-L171 WeakPolarHBondContact O-CB 3.42Å; V167-L171 VanDerWaalsContact O-CG 3.26Å; V167-L171 WeakPolarHBondContact O-CG 3.33Å; V167-L171 PolarHBondContact O-N 2.83Å; S168-L171 PolarHBondContact O-N 2.94Å; L171-T173 PolarHBondContact O-N 3.37Å; L171-G174 PolarHBondContact O-N 3.42Å
172A55.9Low59Low29 Ų2951.3 Ų51.324%0.2427%0.272CS..Hα-helixtrans-62.6-39.1179.900000112.4S168 A169 G174 V187 G188S168-A172 WeakPolarHBondContact O-CB 3.4Å; S168-A172 PolarHBondContact O-N 3.48Å; A169-A172 PolarHBondContact O-N 2.59Å; A172-G174 VanDerWaalsContact C-N 3.32Å; A172-G174 PolarHBondContact O-N 3.07Å; A172-V187 CarbonylContact O-C 3.58Å; A172-V187 VanDerWaalsContact O-O 3.12Å; A172-G188 WeakPolarHBondContact O-CA 3.41Å; A172-G188 PolarHBondContact O-N 2.81Å
173T56Low55.8Low10 Ų1056.9 Ų56.96%0.06129%0.293CS..THydrogen-bonded Turntrans-91.621.1176.467.90000114.2R145 A169 L171 G175R145-T173 HydrophobicContact CB-CG2 3.8Å; A169-T173 PolarHBondContact O-N 2.7Å; A169-T173 PolarHBondContact O-OG1 2.79Å; L171-T173 PolarHBondContact O-N 3.37Å; T173-G175 VanDerWaalsContact C-N 3.35Å; T173-G175 PolarHBondContact O-N 2.8Å
174G55.2Low52.7Low17 Ų1765.9 Ų65.918%0.17533%0.331CS..THydrogen-bonded Turntrans77.810.1171.900000116.4F170 L171 A172 R183F170-G174 PolarHBondContact O-N 3.3Å; L171-G174 PolarHBondContact O-N 3.42Å; A172-G174 VanDerWaalsContact C-N 3.32Å; A172-G174 PolarHBondContact O-N 3.07Å; G174-R183 PolarHBondContact O-NH1 3.46Å
175G57.8Low50.5Low11 Ų1166.2 Ų66.211%0.11334%0.335CS..SBendtrans88.4-153.1177.800000114.5F170 T173 I177F170-G175 WeakPolarHBondContact O-CA 3.24Å; F170-G175 PolarHBondContact O-N 2.97Å; T173-G175 VanDerWaalsContact C-N 3.35Å; T173-G175 PolarHBondContact O-N 2.8Å; G175-I177 PolarHBondContact O-N 3.33Å
176D52.6Low48.6Very low74 Ų7468.4 Ų68.440%0.39634%0.344SS..  trans-7685.3175.9-176.95.6000111F170 T178 R179F170-D176 HydrophobicContact CE2-CB 4.23Å; D176-T178 PolarHBondContact O-N 2.76Å; D176-T178 WeakPolarHBondContact OD1-CB 3.37Å; D176-T178 WeakPolarHBondContact OD1-CG2 3.46Å; D176-T178 PolarHBondContact OD1-N 2.83Å; D176-T178 PolarHBondContact OD1-OG1 2.99Å; D176-R179 HydrophobicContact CB-CG 4.5Å; D176-R179 PolarHBondContact O-N 3.08Å; D176-R179 WeakPolarHBondContact OD2-CD 3.25Å; D176-R179 WeakPolarHBondContact OD2-CG 3.02Å
177I47.6Very low47Very low70 Ų7071.3 Ų71.336%0.35936%0.362SS..THydrogen-bonded Turntrans-54-21.8179.1-55.5176.1000112.1G175 R179 Q200G175-I177 PolarHBondContact O-N 3.33Å; I177-R179 VanDerWaalsContact C-N 3.25Å; I177-R179 PolarHBondContact O-N 3.47Å; I177-Q200 HydrophobicContact CG2-CG 4.34Å
178T37.9Very low46Very low107 Ų10772.7 Ų72.766%0.65638%0.376SS*.THydrogen-bonded Turntrans-72.6-12.3-175.575.30000114.5D176D176-T178 PolarHBondContact O-N 2.76Å; D176-T178 WeakPolarHBondContact OD1-CB 3.37Å; D176-T178 WeakPolarHBondContact OD1-CG2 3.46Å; D176-T178 PolarHBondContact OD1-N 2.83Å; D176-T178 PolarHBondContact OD1-OG1 2.99Å
179R36.6Very low45.9Very low158 Ų15874.5 Ų74.560%0.59639%0.387SS*.SBendtrans-93.8124.7-176.4-57.2-176.480.8-171.78.3111.2E59 D176 I177 K181E59-R179 IonicContact OE1-NH1 2.63Å; E59-R179 PolarHBondContact OE1-NH1 2.92Å; D176-R179 HydrophobicContact CB-CG 4.5Å; D176-R179 PolarHBondContact O-N 3.08Å; D176-R179 WeakPolarHBondContact OD2-CD 3.25Å; D176-R179 WeakPolarHBondContact OD2-CG 3.02Å; I177-R179 VanDerWaalsContact C-N 3.25Å; I177-R179 PolarHBondContact O-N 3.47Å; R179-K181 PolarHBondContact O-N 3.03Å
180N31.4Very low46.3Very low167 Ų16775.1 Ų75.189%0.89339%0.39SS*.  trans-58.518.5-175.3-73-27.9000118V182N180-V182 PolarHBondContact O-N 3.43Å
181K32.4Very low46.7Very low191 Ų19175 Ų7583%0.8339%0.391SS*.SBendtrans-87.676.8174.2-76.4-169.3173.9-175.10111.5R179 R183R179-K181 PolarHBondContact O-N 3.03Å; K181-R183 PolarHBondContact O-N 3.22Å
182V26.3Very low47.9Very low121 Ų12174.6 Ų74.673%0.73339%0.388SS*.  trans1.579.9163.1-167.10000115.9N180 K184N180-V182 PolarHBondContact O-N 3.43Å; V182-K184 HydrophobicContact CG1-CG 3.93Å
183R28Very low49.1Very low120 Ų12073.9 Ų73.945%0.45338%0.379SS..  trans-94.5113.5149.9-79.1-175.8166.3148.24.1106.8Q54 G174 K181 T185Q54-R183 VanDerWaalsContact CB-NH2 3.3Å; Q54-R183 PolarHBondContact O-NH2 3.22Å; Q54-R183 VanDerWaalsContact O-NH2 3.09Å; G174-R183 PolarHBondContact O-NH1 3.46Å; K181-R183 PolarHBondContact O-N 3.22Å; R183-T185 PolarHBondContact O-N 3.14Å
184K27Very low50.2Low197 Ų19773.4 Ų73.486%0.85738%0.377SS*.  trans-81.99.3175.6-70.3-175.5176.8178.60112.8V182V182-K184 HydrophobicContact CG1-CG 3.93Å
185T36.1Very low51.4Low51 Ų5172.8 Ų72.831%0.31337%0.37SS..SBendtrans-130.5123.2-156.546.50000110.3R183 V187 Q466R183-T185 PolarHBondContact O-N 3.14Å; T185-V187 PolarHBondContact O-N 2.84Å; T185-V187 VanDerWaalsContact O-N 3.16Å; T185-Q466 HydrophobicContact CG2-CG 3.92Å
186F36.3Very low52.5Low56 Ų5673.6 Ų73.625%0.24637%0.371CS..  trans-82.391.8-177.9-167.5-81.9000109.4P190 M193 M198F186-P190 HydrophobicContact CD1-CB 4.46Å; F186-P190 HydrophobicContact CE1-CB 3.78Å; F186-P190 HydrophobicContact CZ-CB 4.5Å; F186-M193 HydrophobicContact CE1-CE 3.9Å; F186-M193 HydrophobicContact CE1-SD 3.45Å; F186-M193 WeakPolarHBondContact CE1-SD 3.49Å; F186-M193 HydrophobicContact CE2-CE 4.22Å; F186-M193 HydrophobicContact CZ-CE 3.43Å; F186-M193 VanDerWaalsContact CZ-CE 3.43Å; F186-M193 HydrophobicContact CZ-SD 3.51Å; F186-M193 VanDerWaalsContact CZ-SD 3.51Å; F186-M198 HydrophobicContact CE2-CG 4.35Å; F186-M198 HydrophobicContact CZ-CG 4.2Å
187V38.9Very low53.5Low61 Ų6170.7 Ų70.737%0.3736%0.355SS..  trans-87.3120.2173.7-178.10000108.5A172 T185A172-V187 CarbonylContact O-C 3.58Å; A172-V187 VanDerWaalsContact O-O 3.12Å; T185-V187 PolarHBondContact O-N 2.84Å; T185-V187 VanDerWaalsContact O-N 3.16Å
188G47.5Very low54.7Low28 Ų2867.9 Ų67.929%0.28934%0.341SS..SBendtrans158.2180-178.500000112.9A172 P190A172-G188 WeakPolarHBondContact O-CA 3.41Å; A172-G188 PolarHBondContact O-N 2.81Å; G188-P190 WeakPolarHBondContact O-CD 3.08Å
189T62.7Low56.2Low49 Ų4968.3 Ų68.330%0.30134%0.335SS..  trans-103.584.6175.5-40.70000109.6K148 C191 W192K148-T189 PolarHBondContact NZ-OG1 2.64Å; T189-C191 VanDerWaalsContact C-N 3.26Å; T189-C191 PolarHBondContact O-N 2.93Å; T189-W192 HydrophobicContact CG2-CE3 3.44Å; T189-W192 VanDerWaalsContact CG2-CE3 3.44Å; T189-W192 HydrophobicContact CG2-CH2 4.36Å; T189-W192 HydrophobicContact CG2-CZ3 3.31Å; T189-W192 PolarHBondContact O-N 3.21Å
190P72.4Confident57.6Low12 Ų1266.1 Ų66.18%0.07833%0.332CS..G310 helixtrans-60.4-28.2-161.122.9-35.9000114.8F186 G188 W192 M193 M198 P232 V235F186-P190 HydrophobicContact CD1-CB 4.46Å; F186-P190 HydrophobicContact CE1-CB 3.78Å; F186-P190 HydrophobicContact CZ-CB 4.5Å; G188-P190 WeakPolarHBondContact O-CD 3.08Å; P190-W192 PolarHBondContact O-N 3.04Å; P190-W192 VanDerWaalsContact O-N 3.14Å; P190-M193 PolarHBondContact O-N 2.89Å; P190-M193 VanDerWaalsContact O-N 3.09Å; P190-M198 HydrophobicContact CB-CE 4.49Å; P190-M198 WeakPolarHBondContact O-CE 3.33Å; P190-P232 HydrophobicContact CG-CB 3.97Å; P190-P232 HydrophobicContact CG-CG 4.36Å; P190-V235 HydrophobicContact CB-CB 4.24Å; P190-V235 HydrophobicContact CB-CG1 3.94Å; P190-V235 HydrophobicContact CG-CB 4.35Å; P190-V235 HydrophobicContact CG-CG1 4.33Å
191C80.4Confident58.6Low14 Ų1464 Ų6410%0.09532%0.324CS..G310 helixtrans-64.4-20.5-174.2-50.10000113.8T189 I215 A225 V235T189-C191 VanDerWaalsContact C-N 3.26Å; T189-C191 PolarHBondContact O-N 2.93Å; C191-I215 WeakPolarHBondContact O-CG2 3.2Å; C191-A225 HydrophobicContact CB-CB 3.59Å; C191-V235 HydrophobicContact CB-CG1 4.28Å
192W87.1Confident59.7Low24 Ų2465.1 Ų65.19%0.09132%0.324CS..G310 helixtrans-101.5-9.1176.9-66-107000113.2V147 K148 T189 P190 S212 I215 E219 A225V147-W192 VanDerWaalsContact O-CD1 3.25Å; K148-W192 HydrophobicContact CB-CD2 4.04Å; K148-W192 HydrophobicContact CB-CG 4Å; K148-W192 HydrophobicContact CB-CZ2 4.3Å; K148-W192 VanDerWaalsContact CB-NE1 3.33Å; T189-W192 HydrophobicContact CG2-CE3 3.44Å; T189-W192 VanDerWaalsContact CG2-CE3 3.44Å; T189-W192 HydrophobicContact CG2-CH2 4.36Å; T189-W192 HydrophobicContact CG2-CZ3 3.31Å; T189-W192 PolarHBondContact O-N 3.21Å; P190-W192 PolarHBondContact O-N 3.04Å; P190-W192 VanDerWaalsContact O-N 3.14Å; W192-S212 VanDerWaalsContact O-CA 3.29Å; W192-S212 WeakPolarHBondContact O-CA 3.44Å; W192-S212 WeakPolarHBondContact O-CB 3.27Å; W192-S212 PolarHBondContact O-OG 2.91Å; W192-I215 HydrophobicContact CB-CG2 4.33Å; W192-I215 HydrophobicContact CD2-CG2 4.22Å; W192-I215 HydrophobicContact CG-CB 4.33Å; W192-I215 HydrophobicContact CG-CG2 3.76Å; W192-E219 HydrophobicContact CZ2-CG 4.31Å; W192-E219 WeakPolarHBondContact CZ2-OE1 3.27Å; W192-E219 PolarHBondContact NE1-OE2 2.92Å; W192-A225 HydrophobicContact CD2-CB 4.14Å; W192-A225 HydrophobicContact CE3-CB 4.27Å; W192-A225 HydrophobicContact CH2-CB 3.82Å; W192-A225 HydrophobicContact CZ2-CB 3.69Å; W192-A225 HydrophobicContact CZ3-CB 4.1Å
193M81Confident61.5Low13 Ų1362.7 Ų62.76%0.06432%0.323CS..  trans-79.9145.4-173-66.7174.870.600111.7F186 P190 V197 M198 W211F186-M193 HydrophobicContact CE1-CE 3.9Å; F186-M193 HydrophobicContact CE1-SD 3.45Å; F186-M193 WeakPolarHBondContact CE1-SD 3.49Å; F186-M193 HydrophobicContact CE2-CE 4.22Å; F186-M193 HydrophobicContact CZ-CE 3.43Å; F186-M193 VanDerWaalsContact CZ-CE 3.43Å; F186-M193 HydrophobicContact CZ-SD 3.51Å; F186-M193 VanDerWaalsContact CZ-SD 3.51Å; P190-M193 PolarHBondContact O-N 2.89Å; P190-M193 VanDerWaalsContact O-N 3.09Å; M193-V197 HydrophobicContact CE-CG1 3.6Å; M193-M198 HydrophobicContact CB-CE 4Å; M193-W211 PolarHBondContact O-NE1 2.91Å
194A79.1Confident63.9Low1 Ų159.6 Ų59.61%0.00831%0.312CS..  trans-82.7151.5-177.100000112.1E196 V197 M198 A208 W211A194-E196 VanDerWaalsContact C-N 3.32Å; A194-E196 VanDerWaalsContact CB-OE1 3.24Å; A194-E196 WeakPolarHBondContact CB-OE1 3.34Å; A194-E196 WeakPolarHBondContact CB-OE2 3.46Å; A194-E196 PolarHBondContact O-N 2.92Å; A194-V197 HydrophobicContact CB-CG2 3.96Å; A194-V197 WeakPolarHBondContact O-CB 3.49Å; A194-V197 PolarHBondContact O-N 3.05Å; A194-M198 PolarHBondContact O-N 2.87Å; A194-A208 HydrophobicContact CB-CB 4.24Å; A194-W211 VanDerWaalsContact CA-CD1 3.47Å; A194-W211 HydrophobicContact CB-CB 3.72Å; A194-W211 HydrophobicContact CB-CD2 4.35Å; A194-W211 HydrophobicContact CB-CG 3.69Å
195P81Confident66.6Low4 Ų453.4 Ų53.43%0.02629%0.288CS..Hα-helixtrans-60.3-35.6-174.923-34000113.7V197 M198 E199 W211 L240 K274P195-V197 VanDerWaalsContact C-N 3.33Å; P195-V197 PolarHBondContact O-N 3.32Å; P195-M198 CarbonylContact O-C 3.49Å; P195-M198 WeakPolarHBondContact O-CB 3.41Å; P195-M198 PolarHBondContact O-N 2.78Å; P195-M198 VanDerWaalsContact O-N 3.15Å; P195-E199 WeakPolarHBondContact O-CG 3.29Å; P195-E199 PolarHBondContact O-N 3.33Å; P195-W211 HydrophobicContact CG-CE3 4.48Å; P195-W211 HydrophobicContact CG-CZ3 4.31Å; P195-L240 HydrophobicContact CB-CD2 3.8Å; P195-K274 HydrophobicContact CB-CD 4.23Å; P195-K274 HydrophobicContact CG-CB 4.43Å; P195-K274 HydrophobicContact CG-CD 3.88Å
196E80.1Confident69.2Low28 Ų2854 Ų5413%0.13129%0.286CS..Hα-helixtrans-68.5-31175.971.8-73.8-17900112.9A194 M198 Q200 R279A194-E196 VanDerWaalsContact C-N 3.32Å; A194-E196 VanDerWaalsContact CB-OE1 3.24Å; A194-E196 WeakPolarHBondContact CB-OE1 3.34Å; A194-E196 WeakPolarHBondContact CB-OE2 3.46Å; A194-E196 PolarHBondContact O-N 2.92Å; E196-M198 VanDerWaalsContact C-N 3.31Å; E196-Q200 PolarHBondContact O-N 3.06Å; E196-R279 IonicContact OE1-CZ 3.78Å; E196-R279 IonicContact OE1-NH1 3.78Å; E196-R279 PolarHBondContact OE1-NH1 2.95Å; E196-R279 IonicContact OE1-NH2 2.59Å; E196-R279 IonicContact OE2-CZ 2.81Å; E196-R279 IonicContact OE2-NH1 2.77Å; E196-R279 PolarHBondContact OE2-NH1 3.43Å; E196-R279 IonicContact OE2-NH2 2.65Å; E196-R279 PolarHBondContact OE2-NH2 3.31Å
197V73.7Confident72Confident12 Ų1252.4 Ų52.47%0.07328%0.279CS..Hα-helixtrans-69-35.6171.9-172.40000110.2M193 A194 P195 Y204 A208M193-V197 HydrophobicContact CE-CG1 3.6Å; A194-V197 HydrophobicContact CB-CG2 3.96Å; A194-V197 WeakPolarHBondContact O-CB 3.49Å; A194-V197 PolarHBondContact O-N 3.05Å; P195-V197 VanDerWaalsContact C-N 3.33Å; P195-V197 PolarHBondContact O-N 3.32Å; V197-Y204 HydrophobicContact CB-CD1 4.22Å; V197-Y204 HydrophobicContact CB-CG 4.49Å; V197-Y204 HydrophobicContact CG1-CD1 3.97Å; V197-Y204 HydrophobicContact CG1-CE1 3.86Å; V197-Y204 HydrophobicContact CG2-CD1 3.84Å; V197-Y204 HydrophobicContact CG2-CD2 3.95Å; V197-Y204 HydrophobicContact CG2-CE1 4.32Å; V197-Y204 HydrophobicContact CG2-CE2 4.41Å; V197-Y204 HydrophobicContact CG2-CG 3.64Å; V197-A208 HydrophobicContact CG2-CB 3.7Å
198M72.4Confident74.5Confident12 Ų1249.7 Ų49.76%0.05926%0.263CS..Hα-helixtrans-73.4-33.3177.1-73.5-179.817800113.5F186 P190 M193 A194 P195 E196 L236 T239 L240F186-M198 HydrophobicContact CE2-CG 4.35Å; F186-M198 HydrophobicContact CZ-CG 4.2Å; P190-M198 HydrophobicContact CB-CE 4.49Å; P190-M198 WeakPolarHBondContact O-CE 3.33Å; M193-M198 HydrophobicContact CB-CE 4Å; A194-M198 PolarHBondContact O-N 2.87Å; P195-M198 CarbonylContact O-C 3.49Å; P195-M198 WeakPolarHBondContact O-CB 3.41Å; P195-M198 PolarHBondContact O-N 2.78Å; P195-M198 VanDerWaalsContact O-N 3.15Å; E196-M198 VanDerWaalsContact C-N 3.31Å; M198-L236 HydrophobicContact CB-CD1 3.49Å; M198-L236 VanDerWaalsContact CB-CD1 3.49Å; M198-L236 HydrophobicContact CG-CD1 3.63Å; M198-L236 HydrophobicContact SD-CD1 3.69Å; M198-T239 HydrophobicContact CE-CG2 3.86Å; M198-T239 HydrophobicContact SD-CG2 3.63Å; M198-L240 HydrophobicContact CB-CD1 4.45Å; M198-L240 HydrophobicContact CB-CD2 3.95Å; M198-L240 HydrophobicContact CB-CG 4.37Å; M198-L240 HydrophobicContact SD-CG 4.46Å
199E69.7Low76.8Confident115 Ų11548.4 Ų48.454%0.53725%0.249SC..Hα-helixtrans-75.5-28.2-178.4-79.2175.3-165.700113.6P195 V201 L240P195-E199 WeakPolarHBondContact O-CG 3.29Å; P195-E199 PolarHBondContact O-N 3.33Å; E199-V201 HydrophobicContact CB-CG2 4.45Å; E199-V201 WeakPolarHBondContact O-CG2 3.49Å; E199-V201 PolarHBondContact O-N 2.95Å; E199-L240 HydrophobicContact CG-CD2 3.77Å
200Q66.2Low78.5Confident113 Ų11346 Ų4653%0.52824%0.235SC..  trans59.2-4.2177-56.6-176.6-14.300116.8I177 E196 R202I177-Q200 HydrophobicContact CG2-CG 4.34Å; E196-Q200 PolarHBondContact O-N 3.06Å; Q200-R202 PolarHBondContact O-N 3.07Å
201V52.7Low79.7Confident121 Ų12145.6 Ų45.673%0.73323%0.232SC*.SBendtrans-63.9-27.9-177.2-173.50000112.8E199E199-V201 HydrophobicContact CB-CG2 4.45Å; E199-V201 WeakPolarHBondContact O-CG2 3.49Å; E199-V201 PolarHBondContact O-N 2.95Å
202R54.3Low80.4Confident216 Ų21645.1 Ų45.182%0.81523%0.229SC*.SBendtrans-141.6153.3175.6-61.9-176.5-179.2-179.30.4108.6Q200Q200-R202 PolarHBondContact O-N 3.07Å
203G65Low81Confident69 Ų6944 Ų4471%0.71122%0.224SC*.  trans-61.6146.2171.500000111.3
204Y78.3Confident81.8Confident56 Ų5643.3 Ų43.322%0.2222%0.221CC..  trans-93.8162177.963.9-91.1000111.6I143 R145 V197 A208I143-Y204 HydrophobicContact CD1-CD2 4.29Å; I143-Y204 HydrophobicContact CD1-CE2 4.23Å; I143-Y204 HydrophobicContact CG2-CE2 4.08Å; R145-Y204 VanDerWaalsContact CD-OH 3.29Å; R145-Y204 WeakPolarHBondContact CD-OH 3.46Å; R145-Y204 HydrophobicContact CG-CE2 4.31Å; R145-Y204 WeakPolarHBondContact CG-OH 3.39Å; V197-Y204 HydrophobicContact CB-CD1 4.22Å; V197-Y204 HydrophobicContact CB-CG 4.49Å; V197-Y204 HydrophobicContact CG1-CD1 3.97Å; V197-Y204 HydrophobicContact CG1-CE1 3.86Å; V197-Y204 HydrophobicContact CG2-CD1 3.84Å; V197-Y204 HydrophobicContact CG2-CD2 3.95Å; V197-Y204 HydrophobicContact CG2-CE1 4.32Å; V197-Y204 HydrophobicContact CG2-CE2 4.41Å; V197-Y204 HydrophobicContact CG2-CG 3.64Å; Y204-A208 HydrophobicContact CD2-CB 3.67Å; Y204-A208 HydrophobicContact CE2-CB 4.25Å; Y204-A208 HydrophobicContact CG-CB 4.41Å
205D84.1Confident82.7Confident67 Ų6743.4 Ų43.436%0.35822%0.222SC..  trans-115.5-169.7177.177.1-8000111.8K207 A208D205-K207 PolarHBondContact O-N 3.21Å; D205-K207 VanDerWaalsContact O-N 3.1Å; D205-K207 WeakPolarHBondContact OD1-CB 3.48Å; D205-K207 VanDerWaalsContact OD1-CG 3.25Å; D205-K207 WeakPolarHBondContact OD1-CG 3.29Å; D205-K207 PolarHBondContact OD1-N 3.42Å; D205-A208 WeakPolarHBondContact O-CB 3.2Å; D205-A208 PolarHBondContact O-N 3.45Å; D205-A208 VanDerWaalsContact O-N 3.12Å
206F90.5Very high83.5Confident64 Ų6443.2 Ų43.228%0.28122%0.22SC..THydrogen-bonded Turntrans-63.4-11.9179.868.6-92000114.6H138 I143 A208 D209 T281H138-F206 HydrophobicContact CB-CB 4.24Å; H138-F206 HydrophobicContact CB-CD2 4.03Å; H138-F206 HydrophobicContact CB-CG 4.16Å; H138-F206 AromaticContact CE1-CD2 3.98Å; H138-F206 PolarHBondContact CE1-O 3.44Å; H138-F206 AromaticContact CG-CD2 3.75Å; H138-F206 AromaticContact CG-CG 3.97Å; H138-F206 AromaticContact ND1-CD2 3.44Å; H138-F206 WeakPolarHBondContact ND1-CD2 3.39Å; I143-F206 HydrophobicContact CG1-CB 4.25Å; F206-A208 PolarHBondContact O-N 3.45Å; F206-D209 PolarHBondContact O-N 2.82Å; F206-T281 HydrophobicContact CE2-CG2 4.14Å; F206-T281 HydrophobicContact CZ-CG2 4.45Å
207K94.6Very high84.4Confident22 Ų2241.9 Ų41.910%0.09621%0.214CC..Hα-helixtrans-69.2-16.1173.3-55.8-66.3-16176.40112.2D205 I210 W211 P276 E277 R279D205-K207 PolarHBondContact O-N 3.21Å; D205-K207 VanDerWaalsContact O-N 3.1Å; D205-K207 WeakPolarHBondContact OD1-CB 3.48Å; D205-K207 VanDerWaalsContact OD1-CG 3.25Å; D205-K207 WeakPolarHBondContact OD1-CG 3.29Å; D205-K207 PolarHBondContact OD1-N 3.42Å; K207-I210 WeakPolarHBondContact O-CB 3.4Å; K207-I210 PolarHBondContact O-N 2.89Å; K207-W211 PolarHBondContact O-N 2.87Å; K207-P276 HydrophobicContact CB-CB 3.8Å; K207-P276 HydrophobicContact CG-CB 4.36Å; K207-P276 WeakPolarHBondContact CG-O 3.45Å; K207-P276 PolarHBondContact NZ-O 2.93Å; K207-E277 PolarHBondContact NZ-O 2.63Å; K207-R279 HydrophobicContact CD-CB 4.35Å; K207-R279 WeakPolarHBondContact CE-O 3.37Å; K207-R279 PolarHBondContact NZ-O 3.06Å; K207-R279 WeakPolarHBondContact O-CD 3.47Å; K207-R279 PolarHBondContact O-NH1 2.81Å
208A91.7Very high85.6Confident4 Ų441.3 Ų41.33%0.03321%0.211CC..Hα-helixtrans-59.5-46.4169.800000111.2A194 V197 Y204 D205 F206 I210 W211 S212A194-A208 HydrophobicContact CB-CB 4.24Å; V197-A208 HydrophobicContact CG2-CB 3.7Å; Y204-A208 HydrophobicContact CD2-CB 3.67Å; Y204-A208 HydrophobicContact CE2-CB 4.25Å; Y204-A208 HydrophobicContact CG-CB 4.41Å; D205-A208 WeakPolarHBondContact O-CB 3.2Å; D205-A208 PolarHBondContact O-N 3.45Å; D205-A208 VanDerWaalsContact O-N 3.12Å; F206-A208 PolarHBondContact O-N 3.45Å; A208-I210 PolarHBondContact O-N 3.36Å; A208-W211 WeakPolarHBondContact O-CB 3.37Å; A208-W211 PolarHBondContact O-N 2.84Å; A208-S212 PolarHBondContact O-N 3.47Å; A208-S212 PolarHBondContact O-OG 2.96Å
209D95Very high86.8Confident0 Ų041 Ų410%021%0.209CC..Hα-helixtrans-60.4-32.2177.2-66.3-23.9000112.2L134 H138 I143 H144 R145 V147 F206 W211 S212 F213L134-D209 HydrophobicContact CD2-CB 4.13Å; H138-D209 IonicContact CD2-OD2 3.51Å; H138-D209 IonicContact CE1-OD2 2.71Å; H138-D209 IonicContact NE2-OD2 3.86Å; H138-D209 PolarHBondContact NE2-OD2 3.08Å; I143-D209 WeakPolarHBondContact CG2-OD1 3.28Å; I143-D209 WeakPolarHBondContact CG2-OD2 3.49Å; H144-D209 PolarHBondContact N-OD1 2.98Å; H144-D209 PolarHBondContact N-OD2 2.72Å; R145-D209 PolarHBondContact N-OD1 3.15Å; V147-D209 HydrophobicContact CG2-CB 4.16Å; F206-D209 PolarHBondContact O-N 2.82Å; D209-W211 VanDerWaalsContact C-N 3.35Å; D209-S212 PolarHBondContact O-N 3.4Å; D209-F213 WeakPolarHBondContact O-CB 3.44Å; D209-F213 PolarHBondContact O-N 2.93Å
210I98.3Very high88.1Confident0 Ų035.5 Ų35.50%018%0.183CC..Hα-helixtrans-67.7-36.5178.2-56.5-61.2000111.1K207 A208 G214 C271 R279 P280 A282 L285K207-I210 WeakPolarHBondContact O-CB 3.4Å; K207-I210 PolarHBondContact O-N 2.89Å; A208-I210 PolarHBondContact O-N 3.36Å; I210-G214 PolarHBondContact O-N 2.93Å; I210-C271 HydrophobicContact CG2-CB 4.25Å; I210-C271 WeakPolarHBondContact O-CB 3.31Å; I210-R279 HydrophobicContact CG2-CB 4.08Å; I210-P280 WeakPolarHBondContact CG2-O 3.46Å; I210-A282 HydrophobicContact CD1-CB 4.36Å; I210-L285 HydrophobicContact CD1-CD1 4.2Å; I210-L285 HydrophobicContact CG2-CD1 3.95Å
211W97.5Very high89.7Confident2 Ų230.1 Ų30.11%0.00816%0.158CC..Hα-helixtrans-66.8-48170.8172.9-77.5000110.8M193 A194 P195 K207 A208 D209 F213 G214 I215 T239 P244 L272 K274M193-W211 PolarHBondContact O-NE1 2.91Å; A194-W211 VanDerWaalsContact CA-CD1 3.47Å; A194-W211 HydrophobicContact CB-CB 3.72Å; A194-W211 HydrophobicContact CB-CD2 4.35Å; A194-W211 HydrophobicContact CB-CG 3.69Å; P195-W211 HydrophobicContact CG-CE3 4.48Å; P195-W211 HydrophobicContact CG-CZ3 4.31Å; K207-W211 PolarHBondContact O-N 2.87Å; A208-W211 WeakPolarHBondContact O-CB 3.37Å; A208-W211 PolarHBondContact O-N 2.84Å; D209-W211 VanDerWaalsContact C-N 3.35Å; W211-F213 VanDerWaalsContact C-N 3.28Å; W211-F213 PolarHBondContact O-N 2.83Å; W211-G214 CarbonylContact O-C 3.59Å; W211-G214 WeakPolarHBondContact O-CA 3.48Å; W211-G214 PolarHBondContact O-N 3.12Å; W211-I215 PolarHBondContact O-N 3.32Å; W211-T239 HydrophobicContact CH2-CG2 4.46Å; W211-T239 HydrophobicContact CZ2-CG2 3.77Å; W211-P244 HydrophobicContact CH2-CB 4.03Å; W211-P244 HydrophobicContact CZ3-CB 4.11Å; W211-P244 HydrophobicContact CZ3-CG 4.45Å; W211-L272 HydrophobicContact CD2-CD2 3.63Å; W211-L272 HydrophobicContact CE3-CB 4.39Å; W211-L272 HydrophobicContact CE3-CD2 3.9Å; W211-L272 HydrophobicContact CG-CD2 3.95Å; W211-L272 HydrophobicContact CZ2-CD2 4.31Å; W211-L272 HydrophobicContact CZ3-CB 4.26Å; W211-L272 HydrophobicContact CZ3-CD2 4.34Å; W211-L272 WeakPolarHBondContact O-CD2 3.41Å; W211-K274 HydrophobicContact CH2-CD 4.15Å; W211-K274 HydrophobicContact CZ3-CD 4.23Å
212S96.5Very high91.7Very high4 Ų425.4 Ų25.43%0.02813%0.129CC..Hα-helixtrans-59.4-37.7177.9-54.40000112.6W192 A208 D209 I215 T216W192-S212 VanDerWaalsContact O-CA 3.29Å; W192-S212 WeakPolarHBondContact O-CA 3.44Å; W192-S212 WeakPolarHBondContact O-CB 3.27Å; W192-S212 PolarHBondContact O-OG 2.91Å; A208-S212 PolarHBondContact O-N 3.47Å; A208-S212 PolarHBondContact O-OG 2.96Å; D209-S212 PolarHBondContact O-N 3.4Å; S212-I215 PolarHBondContact O-N 2.75Å; S212-T216 WeakPolarHBondContact O-CB 3.33Å; S212-T216 PolarHBondContact O-N 2.79Å; S212-T216 PolarHBondContact O-OG1 3.46Å
213F98.7Very high93.6Very high0 Ų015.8 Ų15.80%010%0.098CC..Hα-helixtrans-62.7-39.8169.7173.9-93.4000112.4L127 V130 L131 L134 V147 D209 W211 T216 A217 M267 L285 F291L127-F213 HydrophobicContact CB-CE2 3.83Å; L127-F213 HydrophobicContact CB-CZ 3.85Å; L127-F213 HydrophobicContact CD1-CE2 4.38Å; L127-F213 HydrophobicContact CD1-CZ 4.17Å; L127-F213 HydrophobicContact CD2-CD2 4.35Å; L127-F213 HydrophobicContact CD2-CE2 3.79Å; L127-F213 HydrophobicContact CD2-CZ 4.4Å; L127-F213 HydrophobicContact CG-CE2 4.2Å; L127-F213 HydrophobicContact CG-CZ 4.37Å; V130-F213 HydrophobicContact CB-CE2 4.35Å; V130-F213 HydrophobicContact CG1-CD2 3.88Å; V130-F213 HydrophobicContact CG1-CE2 4.1Å; L131-F213 HydrophobicContact CD1-CE1 4.16Å; L131-F213 HydrophobicContact CD1-CE2 4.25Å; L131-F213 HydrophobicContact CD1-CZ 3.6Å; L131-F213 HydrophobicContact CD2-CD1 4.2Å; L131-F213 HydrophobicContact CD2-CD2 4.11Å; L131-F213 HydrophobicContact CD2-CE1 3.87Å; L131-F213 HydrophobicContact CD2-CE2 3.76Å; L131-F213 HydrophobicContact CD2-CG 4.32Å; L131-F213 HydrophobicContact CD2-CZ 3.64Å; L131-F213 HydrophobicContact CG-CD2 4.39Å; L131-F213 HydrophobicContact CG-CE1 4.15Å; L131-F213 HydrophobicContact CG-CE2 3.59Å; L131-F213 HydrophobicContact CG-CZ 3.45Å; L131-F213 VanDerWaalsContact CG-CZ 3.45Å; L134-F213 HydrophobicContact CD1-CB 4.32Å; L134-F213 HydrophobicContact CD1-CD2 4.26Å; V147-F213 HydrophobicContact CG1-CB 4.5Å; D209-F213 WeakPolarHBondContact O-CB 3.44Å; D209-F213 PolarHBondContact O-N 2.93Å; W211-F213 VanDerWaalsContact C-N 3.28Å; W211-F213 PolarHBondContact O-N 2.83Å; F213-T216 PolarHBondContact O-N 2.87Å; F213-A217 PolarHBondContact O-N 2.87Å; F213-M267 HydrophobicContact CE1-CE 4.38Å; F213-M267 HydrophobicContact CE1-SD 3.79Å; F213-L285 HydrophobicContact CD1-CD1 4.15Å; F213-L285 HydrophobicContact CE1-CD1 4.07Å; F213-F291 HydrophobicContact CE1-CZ 4.49Å; F213-F291 HydrophobicContact CZ-CZ 4.04Å
214G98.6Very high95Very high0 Ų013.3 Ų13.30%07%0.071CC..Hα-helixtrans-62.1-39.7172.600000113.4I210 W211 I218I210-G214 PolarHBondContact O-N 2.93Å; W211-G214 CarbonylContact O-C 3.59Å; W211-G214 WeakPolarHBondContact O-CA 3.48Å; W211-G214 PolarHBondContact O-N 3.12Å; G214-I218 PolarHBondContact O-N 2.83Å
215I98.1Very high95.7Very high3 Ų310.7 Ų10.72%0.0156%0.06CC..Hα-helixtrans-67.6-44172.3-60.1-60.2000110.9C191 W192 W211 S212 A217 I218 E219 A225 P226 P245 L272C191-I215 WeakPolarHBondContact O-CG2 3.2Å; W192-I215 HydrophobicContact CB-CG2 4.33Å; W192-I215 HydrophobicContact CD2-CG2 4.22Å; W192-I215 HydrophobicContact CG-CB 4.33Å; W192-I215 HydrophobicContact CG-CG2 3.76Å; W211-I215 PolarHBondContact O-N 3.32Å; S212-I215 PolarHBondContact O-N 2.75Å; I215-A217 PolarHBondContact O-N 3.16Å; I215-I218 WeakPolarHBondContact O-CA 3.22Å; I215-I218 WeakPolarHBondContact O-CB 3.32Å; I215-I218 PolarHBondContact O-N 2.81Å; I215-E219 PolarHBondContact O-N 3Å; I215-A225 HydrophobicContact CG2-CB 3.66Å; I215-P226 HydrophobicContact CD1-CG 4.03Å; I215-P245 HydrophobicContact CD1-CG 3.9Å; I215-L272 HydrophobicContact CD1-CD1 4.06Å; I215-L272 HydrophobicContact CD1-CD2 3.75Å; I215-L272 HydrophobicContact CG1-CD2 3.97Å
216T98.4Very high96.2Very high0 Ų07.6 Ų7.60%04%0.044CC..Hα-helixtrans-59.6-36.4177-55.40000111.4L127 V147 K148 I152 S212 F213 I218 E219 L220L127-T216 HydrophobicContact CD2-CG2 4.48Å; V147-T216 PolarHBondContact O-OG1 2.84Å; V147-T216 VanDerWaalsContact O-OG1 3.08Å; K148-T216 WeakPolarHBondContact CA-OG1 3.35Å; I152-T216 HydrophobicContact CD1-CG2 3.64Å; S212-T216 WeakPolarHBondContact O-CB 3.33Å; S212-T216 PolarHBondContact O-N 2.79Å; S212-T216 PolarHBondContact O-OG1 3.46Å; F213-T216 PolarHBondContact O-N 2.87Å; T216-I218 VanDerWaalsContact C-N 3.34Å; T216-I218 PolarHBondContact O-N 3.03Å; T216-E219 WeakPolarHBondContact O-CB 3.29Å; T216-E219 PolarHBondContact O-N 2.85Å; T216-L220 HydrophobicContact CG2-CD1 3.71Å; T216-L220 WeakPolarHBondContact O-CD1 3.4Å; T216-L220 PolarHBondContact O-N 3.41Å
217A98.8Very high96.2Very high0 Ų05.5 Ų5.50%04%0.035CC..Hα-helixtrans-63.3-37.717300000112.7L127 F213 I215 F264 M267 I268L127-A217 HydrophobicContact CD1-CB 3.69Å; F213-A217 PolarHBondContact O-N 2.87Å; I215-A217 PolarHBondContact O-N 3.16Å; A217-F264 HydrophobicContact CB-CE2 4.11Å; A217-F264 HydrophobicContact CB-CZ 4.25Å; A217-F264 VanDerWaalsContact O-CZ 3.29Å; A217-F264 WeakPolarHBondContact O-CZ 3.41Å; A217-M267 HydrophobicContact CB-CE 3.83Å; A217-I268 HydrophobicContact CB-CD1 4.48Å; A217-I268 HydrophobicContact CB-CG1 4.05Å
218I98.2Very high95.8Very high0 Ų06 Ų60%04%0.037CC..Hα-helixtrans-66.1-49.6172.1-63.7170.7000109.7G214 I215 T216 L220 A221 T222 P226 L247 I268 L272G214-I218 PolarHBondContact O-N 2.83Å; I215-I218 WeakPolarHBondContact O-CA 3.22Å; I215-I218 WeakPolarHBondContact O-CB 3.32Å; I215-I218 PolarHBondContact O-N 2.81Å; T216-I218 VanDerWaalsContact C-N 3.34Å; T216-I218 PolarHBondContact O-N 3.03Å; I218-L220 VanDerWaalsContact C-N 3.33Å; I218-L220 PolarHBondContact O-N 2.55Å; I218-A221 CarbonylContact O-C 3.52Å; I218-A221 WeakPolarHBondContact O-CA 3.42Å; I218-A221 WeakPolarHBondContact O-CB 3.46Å; I218-A221 PolarHBondContact O-N 3.17Å; I218-T222 HydrophobicContact CG2-CG2 3.69Å; I218-T222 PolarHBondContact O-N 2.92Å; I218-T222 PolarHBondContact O-OG1 3.11Å; I218-P226 HydrophobicContact CB-CG 4.47Å; I218-P226 HydrophobicContact CD1-CG 3.71Å; I218-P226 HydrophobicContact CG2-CG 4.1Å; I218-L247 HydrophobicContact CB-CD1 4.49Å; I218-L247 HydrophobicContact CG1-CD1 4.34Å; I218-L247 HydrophobicContact CG2-CD1 4.24Å; I218-I268 HydrophobicContact CD1-CG2 3.98Å; I218-I268 HydrophobicContact CG1-CD1 4.06Å; I218-I268 HydrophobicContact CG1-CG2 4.05Å; I218-L272 HydrophobicContact CD1-CD1 3.67Å
219E97.8Very high95.4Very high5 Ų510.4 Ų10.42%0.0236%0.055CC..Hα-helixtrans-51.3-45.3178.4-179.5-171.3-168.600113I104 A149 W192 I215 T216 A221 G223I104-E219 HydrophobicContact CD1-CG 4.2Å; A149-E219 HydrophobicContact CB-CG 4.05Å; A149-E219 WeakPolarHBondContact CB-OE1 3.09Å; A149-E219 WeakPolarHBondContact CB-OE2 3.41Å; A149-E219 PolarHBondContact N-OE1 3.23Å; A149-E219 PolarHBondContact N-OE2 3.36Å; W192-E219 HydrophobicContact CZ2-CG 4.31Å; W192-E219 WeakPolarHBondContact CZ2-OE1 3.27Å; W192-E219 PolarHBondContact NE1-OE2 2.92Å; I215-E219 PolarHBondContact O-N 3Å; T216-E219 WeakPolarHBondContact O-CB 3.29Å; T216-E219 PolarHBondContact O-N 2.85Å; E219-A221 PolarHBondContact O-N 3.49Å; E219-G223 CarbonylContact O-C 3.58Å; E219-G223 WeakPolarHBondContact O-CA 3.4Å; E219-G223 PolarHBondContact O-N 3.15Å
220L97.9Very high94.7Very high0 Ų015.2 Ų15.20%07%0.074CC..Hα-helixtrans-64.7-20.2176.7-93.874.7000114.2V100 L118 I123 I126 L127 A149 T216 I218V100-L220 HydrophobicContact CG1-CD1 3.96Å; V100-L220 HydrophobicContact CG1-CD2 4.16Å; V100-L220 HydrophobicContact CG1-CG 3.84Å; L118-L220 WeakPolarHBondContact CB-O 3.29Å; L118-L220 HydrophobicContact CD1-CB 4.26Å; L118-L220 HydrophobicContact CD1-CD2 4.06Å; L118-L220 HydrophobicContact CD1-CG 3.98Å; L118-L220 PolarHBondContact N-O 2.89Å; I123-L220 HydrophobicContact CD1-CB 4.27Å; I123-L220 HydrophobicContact CG1-CB 4.14Å; I123-L220 HydrophobicContact CG1-CD2 4.45Å; I123-L220 HydrophobicContact CG2-CB 4.45Å; I123-L220 HydrophobicContact CG2-CD2 4.3Å; I126-L220 HydrophobicContact CB-CD2 4.28Å; I126-L220 HydrophobicContact CD1-CD2 4.16Å; I126-L220 HydrophobicContact CG2-CD2 4.07Å; L127-L220 HydrophobicContact CD2-CD2 4.1Å; L127-L220 HydrophobicContact CG-CD2 4.2Å; A149-L220 HydrophobicContact CB-CD1 3.78Å; T216-L220 HydrophobicContact CG2-CD1 3.71Å; T216-L220 WeakPolarHBondContact O-CD1 3.4Å; T216-L220 PolarHBondContact O-N 3.41Å; I218-L220 VanDerWaalsContact C-N 3.33Å; I218-L220 PolarHBondContact O-N 2.55Å
221A97.8Very high93.5Very high0 Ų016.4 Ų16.40%08%0.082CC..Hα-helixtrans-100.6-38.4-178.400000113.1G116 V117 I123 I218 E219 L247 Y260 F264G116-A221 CarbonylContact C-O 3.56Å; G116-A221 WeakPolarHBondContact CA-O 3.48Å; V117-A221 PolarHBondContact N-O 3.49Å; I123-A221 HydrophobicContact CD1-CB 3.94Å; I218-A221 CarbonylContact O-C 3.52Å; I218-A221 WeakPolarHBondContact O-CA 3.42Å; I218-A221 WeakPolarHBondContact O-CB 3.46Å; I218-A221 PolarHBondContact O-N 3.17Å; E219-A221 PolarHBondContact O-N 3.49Å; A221-L247 HydrophobicContact CB-CD1 3.74Å; A221-Y260 WeakPolarHBondContact CA-OH 3.24Å; A221-Y260 HydrophobicContact CB-CD1 4.45Å; A221-Y260 HydrophobicContact CB-CD2 4.46Å; A221-Y260 HydrophobicContact CB-CE1 3.85Å; A221-Y260 HydrophobicContact CB-CE2 3.87Å; A221-Y260 PolarHBondContact O-OH 3.43Å; A221-Y260 VanDerWaalsContact O-OH 3.13Å; A221-F264 HydrophobicContact CB-CE1 3.86Å; A221-F264 HydrophobicContact CB-CZ 4.2Å
222T95.9Very high92.2Very high21 Ų2118.7 Ų18.713%0.12910%0.097CC..Hα-helixtrans-96.5-23.9-177.460.20000113.2I218 A224 L247 V251 M256 L257I218-T222 HydrophobicContact CG2-CG2 3.69Å; I218-T222 PolarHBondContact O-N 2.92Å; I218-T222 PolarHBondContact O-OG1 3.11Å; T222-A224 PolarHBondContact OG1-N 3.18Å; T222-A224 PolarHBondContact OG1-O 2.92Å; T222-L247 HydrophobicContact CG2-CD1 4.03Å; T222-V251 HydrophobicContact CG2-CG2 3.55Å; T222-M256 WeakPolarHBondContact O-CE 3.36Å; T222-L257 HydrophobicContact CG2-CD2 4.25Å
223G94.4Very high90.9Very high15 Ų1524.4 Ų24.416%0.15513%0.125CC..SBendtrans91.9-6.5-171.500000115I104 E219I104-G223 WeakPolarHBondContact CG2-O 3.43Å; E219-G223 CarbonylContact O-C 3.58Å; E219-G223 WeakPolarHBondContact O-CA 3.4Å; E219-G223 PolarHBondContact O-N 3.15Å
224A93.3Very high89.9Confident17 Ų1729.2 Ų29.214%0.1415%0.146CC..SBendtrans-159.3152.3179.700000112.7T222 H228T222-A224 PolarHBondContact OG1-N 3.18Å; T222-A224 PolarHBondContact OG1-O 2.92Å; A224-H228 HydrophobicContact CB-CB 4.1Å
225A93.9Very high88.9Confident0 Ų029.2 Ų29.20%015%0.146CC..  trans-60.7151.8175.800000112.4C191 W192 I215 Y227 H228C191-A225 HydrophobicContact CB-CB 3.59Å; W192-A225 HydrophobicContact CD2-CB 4.14Å; W192-A225 HydrophobicContact CE3-CB 4.27Å; W192-A225 HydrophobicContact CH2-CB 3.82Å; W192-A225 HydrophobicContact CZ2-CB 3.69Å; W192-A225 HydrophobicContact CZ3-CB 4.1Å; I215-A225 HydrophobicContact CG2-CB 3.66Å; A225-Y227 PolarHBondContact O-N 3.11Å; A225-H228 PolarHBondContact O-N 3.01Å; A225-H228 VanDerWaalsContact O-N 3.12Å; A225-H228 PolarHBondContact O-ND1 2.85Å
226P94.4Very high87.8Confident3 Ų330.3 Ų30.32%0.01915%0.152CC..THydrogen-bonded Turntrans-51.4-30.1-170-31.535.9000117.2I215 I218 P245 T249 G250I215-P226 HydrophobicContact CD1-CG 4.03Å; I218-P226 HydrophobicContact CB-CG 4.47Å; I218-P226 HydrophobicContact CD1-CG 3.71Å; I218-P226 HydrophobicContact CG2-CG 4.1Å; P226-P245 HydrophobicContact CB-CB 3.64Å; P226-P245 HydrophobicContact CB-CG 4.18Å; P226-P245 HydrophobicContact CG-CB 3.72Å; P226-P245 HydrophobicContact CG-CG 3.96Å; P226-T249 WeakPolarHBondContact CA-O 3.46Å; P226-T249 HydrophobicContact CB-CG2 3.84Å; P226-G250 WeakPolarHBondContact O-CA 3.33Å
227Y90Very high86.8Confident20 Ų2034.9 Ų34.98%0.07817%0.174CC..THydrogen-bonded Turntrans-116.516.7-173.5-60.2-42.7000114.2A225 K229 Y230 V235 L238 P245 T249A225-Y227 PolarHBondContact O-N 3.11Å; Y227-K229 PolarHBondContact O-N 2.93Å; Y227-Y230 HydrophobicContact CD1-CD2 4.24Å; Y227-Y230 HydrophobicContact CD1-CE2 4.23Å; Y227-Y230 PolarHBondContact O-N 2.93Å; Y227-V235 HydrophobicContact CD2-CG1 4.43Å; Y227-L238 HydrophobicContact CD1-CD1 4.12Å; Y227-L238 HydrophobicContact CD2-CB 4.34Å; Y227-L238 HydrophobicContact CE1-CB 4.34Å; Y227-L238 HydrophobicContact CE1-CD1 4.4Å; Y227-L238 HydrophobicContact CE2-CB 4.08Å; Y227-L238 HydrophobicContact CG-CD1 4.42Å; Y227-P245 HydrophobicContact CE2-CB 4.46Å; Y227-P245 HydrophobicContact CE2-CG 4.36Å; Y227-T249 HydrophobicContact CD1-CG2 4.16Å; Y227-T249 HydrophobicContact CE1-CG2 3.49Å; Y227-T249 VanDerWaalsContact CE1-CG2 3.49Å
228H86.2Confident86.2Confident31 Ų3136.6 Ų36.614%0.14418%0.183CC..THydrogen-bonded Turntrans-47.5-35.6-178.661.9-81.2000114.8A224 A225 Y230 E332A224-H228 HydrophobicContact CB-CB 4.1Å; A225-H228 PolarHBondContact O-N 3.01Å; A225-H228 VanDerWaalsContact O-N 3.12Å; A225-H228 PolarHBondContact O-ND1 2.85Å; H228-Y230 PolarHBondContact O-N 3.43Å; H228-Y230 VanDerWaalsContact O-N 3.11Å; H228-E332 PolarHBondContact CD2-O 2.65Å
229K84.2Confident85.7Confident97 Ų9736.9 Ų36.942%0.42219%0.185SC..THydrogen-bonded Turntrans-71.70.7-179.2-51.1-162.8177.9-160.90114.9Y227Y227-K229 PolarHBondContact O-N 2.93Å
230Y80.4Confident85.1Confident101 Ų10139.2 Ų39.240%0.39620%0.197SC..SBendtrans-117.5145.2-174.8-60.4-52.2000112.7Y227 H228 K234 V235 L238Y227-Y230 HydrophobicContact CD1-CD2 4.24Å; Y227-Y230 HydrophobicContact CD1-CE2 4.23Å; Y227-Y230 PolarHBondContact O-N 2.93Å; H228-Y230 PolarHBondContact O-N 3.43Å; H228-Y230 VanDerWaalsContact O-N 3.11Å; Y230-K234 HydrophobicContact CD1-CD 3.79Å; Y230-K234 HydrophobicContact CD1-CG 4.36Å; Y230-K234 HydrophobicContact CE1-CD 4.43Å; Y230-K234 HydrophobicContact CG-CD 4.12Å; Y230-K234 HydrophobicContact CG-CG 4.18Å; Y230-V235 VanDerWaalsContact O-CG2 3.32Å; Y230-V235 WeakPolarHBondContact O-CG2 3.22Å; Y230-L238 HydrophobicContact CD2-CD1 3.27Å; Y230-L238 HydrophobicContact CE2-CD1 3.47Å; Y230-L238 VanDerWaalsContact CE2-CD1 3.47Å; Y230-L238 HydrophobicContact CG-CD1 3.97Å
231P71.6Confident84.7Confident26 Ų2645.7 Ų45.717%0.16923%0.228CC..  trans-67.3156.5176.229.2-35.2000111.6M233 K234 V235P231-M233 PolarHBondContact O-N 3.38Å; P231-M233 VanDerWaalsContact O-N 3.14Å; P231-K234 HydrophobicContact CG-CB 4.04Å; P231-K234 WeakPolarHBondContact O-CA 3.11Å; P231-K234 WeakPolarHBondContact O-CB 3.48Å; P231-K234 PolarHBondContact O-N 2.78Å; P231-V235 PolarHBondContact O-N 3.03Å
232P72.1Confident84.4Confident49 Ų4949.1 Ų49.132%0.31825%0.246SC..Hα-helixtrans-46.4-48.4-171.2-34.737.9000116.1P190 K234 V235 L236P190-P232 HydrophobicContact CG-CB 3.97Å; P190-P232 HydrophobicContact CG-CG 4.36Å; P232-K234 VanDerWaalsContact C-N 3.28Å; P232-K234 PolarHBondContact O-N 3.28Å; P232-V235 WeakPolarHBondContact O-CB 3.43Å; P232-V235 PolarHBondContact O-N 3.42Å; P232-L236 WeakPolarHBondContact O-CB 3.4Å; P232-L236 PolarHBondContact O-N 2.84Å
233M69.1Low84.3Confident124 Ų12455 Ų5561%0.61128%0.276SS*.Hα-helixtrans-64.5-29.7179.4-69.8-58-62.200113.5P231 L236 M237P231-M233 PolarHBondContact O-N 3.38Å; P231-M233 VanDerWaalsContact O-N 3.14Å; M233-L236 HydrophobicContact CE-CD2 3.89Å; M233-L236 HydrophobicContact SD-CD2 3.98Å; M233-M237 WeakPolarHBondContact O-CG 3.42Å; M233-M237 PolarHBondContact O-N 2.92Å; M233-M237 VanDerWaalsContact O-N 3.07Å
234K76.2Confident84.4Confident101 Ų10156.3 Ų56.344%0.43928%0.282SS..Hα-helixtrans-79.3-34.7175.6-175.9166-179.9168.90111.6Y230 P231 P232 L236 M237 L238Y230-K234 HydrophobicContact CD1-CD 3.79Å; Y230-K234 HydrophobicContact CD1-CG 4.36Å; Y230-K234 HydrophobicContact CE1-CD 4.43Å; Y230-K234 HydrophobicContact CG-CD 4.12Å; Y230-K234 HydrophobicContact CG-CG 4.18Å; P231-K234 HydrophobicContact CG-CB 4.04Å; P231-K234 WeakPolarHBondContact O-CA 3.11Å; P231-K234 WeakPolarHBondContact O-CB 3.48Å; P231-K234 PolarHBondContact O-N 2.78Å; P232-K234 VanDerWaalsContact C-N 3.28Å; P232-K234 PolarHBondContact O-N 3.28Å; K234-L236 VanDerWaalsContact C-N 3.34Å; K234-M237 PolarHBondContact O-N 3.28Å; K234-L238 HydrophobicContact CG-CD1 3.94Å; K234-L238 HydrophobicContact CG-CG 4.25Å; K234-L238 WeakPolarHBondContact O-CB 3.16Å; K234-L238 WeakPolarHBondContact O-CD1 3.29Å; K234-L238 WeakPolarHBondContact O-CG 3.28Å; K234-L238 PolarHBondContact O-N 3.17Å
235V78.6Confident84.6Confident1 Ų155.8 Ų55.81%0.00628%0.278CS..Hα-helixtrans-59.9-46.5170.3178.30000110.5P190 C191 Y227 Y230 P231 P232 L238 T239P190-V235 HydrophobicContact CB-CB 4.24Å; P190-V235 HydrophobicContact CB-CG1 3.94Å; P190-V235 HydrophobicContact CG-CB 4.35Å; P190-V235 HydrophobicContact CG-CG1 4.33Å; C191-V235 HydrophobicContact CB-CG1 4.28Å; Y227-V235 HydrophobicContact CD2-CG1 4.43Å; Y230-V235 VanDerWaalsContact O-CG2 3.32Å; Y230-V235 WeakPolarHBondContact O-CG2 3.22Å; P231-V235 PolarHBondContact O-N 3.03Å; P232-V235 WeakPolarHBondContact O-CB 3.43Å; P232-V235 PolarHBondContact O-N 3.42Å; V235-L238 PolarHBondContact O-N 3.14Å; V235-T239 VanDerWaalsContact O-CB 3.27Å; V235-T239 WeakPolarHBondContact O-CB 3.44Å; V235-T239 PolarHBondContact O-N 3.24Å; V235-T239 PolarHBondContact O-OG1 3.03Å
236L74.5Confident84.8Confident26 Ų2658 Ų5814%0.13629%0.293CS..Hα-helixtrans-54.3-56173.4171.763.5000111.5M198 P232 M233 K234 L238 T239 L240M198-L236 HydrophobicContact CB-CD1 3.49Å; M198-L236 VanDerWaalsContact CB-CD1 3.49Å; M198-L236 HydrophobicContact CG-CD1 3.63Å; M198-L236 HydrophobicContact SD-CD1 3.69Å; P232-L236 WeakPolarHBondContact O-CB 3.4Å; P232-L236 PolarHBondContact O-N 2.84Å; M233-L236 HydrophobicContact CE-CD2 3.89Å; M233-L236 HydrophobicContact SD-CD2 3.98Å; K234-L236 VanDerWaalsContact C-N 3.34Å; L236-L238 PolarHBondContact O-N 3.12Å; L236-T239 PolarHBondContact O-N 3.46Å; L236-L240 HydrophobicContact CD1-CD1 3.75Å; L236-L240 HydrophobicContact CD1-CG 4.24Å; L236-L240 HydrophobicContact CG-CD1 4.35Å; L236-L240 WeakPolarHBondContact O-CG 3.49Å; L236-L240 PolarHBondContact O-N 2.84Å
237M76.6Confident84.9Confident96 Ų9658 Ų5847%0.47329%0.293SS..Hα-helixtrans-58.8-47.5179.2-72.8179.473.700112.9M233 K234 T239 L240 Q241M233-M237 WeakPolarHBondContact O-CG 3.42Å; M233-M237 PolarHBondContact O-N 2.92Å; M233-M237 VanDerWaalsContact O-N 3.07Å; K234-M237 PolarHBondContact O-N 3.28Å; M237-T239 VanDerWaalsContact C-N 3.33Å; M237-T239 PolarHBondContact O-N 3.24Å; M237-L240 PolarHBondContact O-N 2.82Å; M237-Q241 VanDerWaalsContact O-CB 3.23Å; M237-Q241 WeakPolarHBondContact O-CB 3.44Å; M237-Q241 VanDerWaalsContact O-CG 3.27Å; M237-Q241 WeakPolarHBondContact O-CG 3.46Å; M237-Q241 PolarHBondContact O-N 2.59Å
238L87.2Confident85.1Confident36 Ų3660.2 Ų60.219%0.18830%0.304CS..Hα-helixtrans-62.9-39.7-180-68.6168.7000111.9Y227 Y230 K234 V235 L236 N242Y227-L238 HydrophobicContact CD1-CD1 4.12Å; Y227-L238 HydrophobicContact CD2-CB 4.34Å; Y227-L238 HydrophobicContact CE1-CB 4.34Å; Y227-L238 HydrophobicContact CE1-CD1 4.4Å; Y227-L238 HydrophobicContact CE2-CB 4.08Å; Y227-L238 HydrophobicContact CG-CD1 4.42Å; Y230-L238 HydrophobicContact CD2-CD1 3.27Å; Y230-L238 HydrophobicContact CE2-CD1 3.47Å; Y230-L238 VanDerWaalsContact CE2-CD1 3.47Å; Y230-L238 HydrophobicContact CG-CD1 3.97Å; K234-L238 HydrophobicContact CG-CD1 3.94Å; K234-L238 HydrophobicContact CG-CG 4.25Å; K234-L238 WeakPolarHBondContact O-CB 3.16Å; K234-L238 WeakPolarHBondContact O-CD1 3.29Å; K234-L238 WeakPolarHBondContact O-CG 3.28Å; K234-L238 PolarHBondContact O-N 3.17Å; V235-L238 PolarHBondContact O-N 3.14Å; L236-L238 PolarHBondContact O-N 3.12Å; L238-N242 WeakPolarHBondContact CD2-ND2 3.34Å; L238-N242 VanDerWaalsContact O-CB 3.31Å; L238-N242 WeakPolarHBondContact O-CB 3.44Å; L238-N242 PolarHBondContact O-N 2.71Å; L238-N242 VanDerWaalsContact O-N 3.13Å; L238-N242 PolarHBondContact O-ND2 3.27Å
239T87.7Confident85.5Confident5 Ų560.6 Ų60.63%0.03131%0.308CS..Hα-helixtrans-69.7-35.7-179.6-56.70000112.1M198 W211 V235 L236 M237 K274M198-T239 HydrophobicContact CE-CG2 3.86Å; M198-T239 HydrophobicContact SD-CG2 3.63Å; W211-T239 HydrophobicContact CH2-CG2 4.46Å; W211-T239 HydrophobicContact CZ2-CG2 3.77Å; V235-T239 VanDerWaalsContact O-CB 3.27Å; V235-T239 WeakPolarHBondContact O-CB 3.44Å; V235-T239 PolarHBondContact O-N 3.24Å; V235-T239 PolarHBondContact O-OG1 3.03Å; L236-T239 PolarHBondContact O-N 3.46Å; M237-T239 VanDerWaalsContact C-N 3.33Å; M237-T239 PolarHBondContact O-N 3.24Å; T239-K274 WeakPolarHBondContact O-CE 3.47Å; T239-K274 PolarHBondContact O-NZ 3.22Å
240L85.4Confident85.6Confident55 Ų5557.7 Ų57.729%0.28831%0.306SS..Hα-helixtrans-76.9-46.4175.2-66-179.9000112.2P195 M198 E199 L236 M237 K274P195-L240 HydrophobicContact CB-CD2 3.8Å; M198-L240 HydrophobicContact CB-CD1 4.45Å; M198-L240 HydrophobicContact CB-CD2 3.95Å; M198-L240 HydrophobicContact CB-CG 4.37Å; M198-L240 HydrophobicContact SD-CG 4.46Å; E199-L240 HydrophobicContact CG-CD2 3.77Å; L236-L240 HydrophobicContact CD1-CD1 3.75Å; L236-L240 HydrophobicContact CD1-CG 4.24Å; L236-L240 HydrophobicContact CG-CD1 4.35Å; L236-L240 WeakPolarHBondContact O-CG 3.49Å; L236-L240 PolarHBondContact O-N 2.84Å; M237-L240 PolarHBondContact O-N 2.82Å; L240-K274 PolarHBondContact O-NZ 3.34Å
241Q88.8Confident86.1Confident136 Ų13654.1 Ų54.164%0.63630%0.295SS*.Hα-helixtrans-86.4-30.3-166.3-64.4175.2-17.400115.3M237M237-Q241 VanDerWaalsContact O-CB 3.23Å; M237-Q241 WeakPolarHBondContact O-CB 3.44Å; M237-Q241 VanDerWaalsContact O-CG 3.27Å; M237-Q241 WeakPolarHBondContact O-CG 3.46Å; M237-Q241 PolarHBondContact O-N 2.59Å
242N91.6Very high86.7Confident72 Ų7261.1 Ų61.139%0.38533%0.325SS..SBendtrans-91173.8-177.9-58.8-38.4000112.5L238 K274L238-N242 WeakPolarHBondContact CD2-ND2 3.34Å; L238-N242 VanDerWaalsContact O-CB 3.31Å; L238-N242 WeakPolarHBondContact O-CB 3.44Å; L238-N242 PolarHBondContact O-N 2.71Å; L238-N242 VanDerWaalsContact O-N 3.13Å; L238-N242 PolarHBondContact O-ND2 3.27Å; N242-K274 WeakPolarHBondContact O-CE 3.28Å; N242-K274 PolarHBondContact O-NZ 3.29Å
243D94.8Very high87.5Confident143 Ų14363.2 Ų63.277%0.76533%0.334SS*.PPolyproline II helixtrans-57.7154.5160.3-74.4-52.2000111.9
244P96.6Very high88.4Confident43 Ų4364.3 Ų64.328%0.27934%0.335SS..PPolyproline II helixtrans-55.5140.6175-23.733.5000112.7W211 L272 K274W211-P244 HydrophobicContact CH2-CB 4.03Å; W211-P244 HydrophobicContact CZ3-CB 4.11Å; W211-P244 HydrophobicContact CZ3-CG 4.45Å; P244-L272 HydrophobicContact CB-CB 4.14Å; P244-L272 WeakPolarHBondContact CB-O 3.37Å; P244-L272 WeakPolarHBondContact CG-O 3.22Å; P244-K274 HydrophobicContact CG-CD 4.14Å; P244-K274 HydrophobicContact CG-CG 4.06Å
245P96.9Very high89Confident7 Ų764.8 Ų64.85%0.04534%0.339CS..PPolyproline II helixtrans-66.7145.6-175.924.7-31.3000112.3I215 P226 Y227 T249 L272I215-P245 HydrophobicContact CD1-CG 3.9Å; P226-P245 HydrophobicContact CB-CB 3.64Å; P226-P245 HydrophobicContact CB-CG 4.18Å; P226-P245 HydrophobicContact CG-CB 3.72Å; P226-P245 HydrophobicContact CG-CG 3.96Å; Y227-P245 HydrophobicContact CE2-CB 4.46Å; Y227-P245 HydrophobicContact CE2-CG 4.36Å; P245-T249 HydrophobicContact CB-CG2 3.87Å; P245-L272 HydrophobicContact CG-CD1 4.26Å; P245-L272 VanDerWaalsContact O-CD1 3.22Å; P245-L272 WeakPolarHBondContact O-CD1 3.32Å
246S97.4Very high89.6Confident46 Ų4665.8 Ų65.832%0.32234%0.344SS..  trans-103.8175.4172.982.20000111.9E248 T249S246-E248 WeakPolarHBondContact CB-OE2 3.33Å; S246-E248 PolarHBondContact O-N 3.17Å; S246-E248 PolarHBondContact OG-N 2.77Å; S246-E248 PolarHBondContact OG-OE2 3.42Å; S246-T249 PolarHBondContact N-OG1 3.22Å; S246-T249 VanDerWaalsContact O-CB 3.27Å; S246-T249 WeakPolarHBondContact O-CB 3.25Å; S246-T249 PolarHBondContact O-N 3.12Å; S246-T249 PolarHBondContact O-OG1 3.42Å
247L96.8Very high90.5Very high4 Ų464.7 Ų64.72%0.02134%0.338CS..THydrogen-bonded Turntrans-59.1-25174.5-173.260.4000113.4I218 A221 T222 T249 L257 Y260 F264 R265 I268I218-L247 HydrophobicContact CB-CD1 4.49Å; I218-L247 HydrophobicContact CG1-CD1 4.34Å; I218-L247 HydrophobicContact CG2-CD1 4.24Å; A221-L247 HydrophobicContact CB-CD1 3.74Å; T222-L247 HydrophobicContact CG2-CD1 4.03Å; L247-T249 VanDerWaalsContact C-N 3.34Å; L247-L257 HydrophobicContact CG-CD1 4.36Å; L247-L257 HydrophobicContact CG-CD2 4.22Å; L247-L257 VanDerWaalsContact O-CD1 3.24Å; L247-L257 WeakPolarHBondContact O-CD1 3.13Å; L247-Y260 HydrophobicContact CD2-CD2 3.86Å; L247-Y260 HydrophobicContact CD2-CG 3.84Å; L247-F264 HydrophobicContact CD1-CE1 4.19Å; L247-F264 HydrophobicContact CD2-CD1 3.96Å; L247-F264 HydrophobicContact CD2-CE1 4.04Å; L247-R265 HydrophobicContact CD2-CG 4.19Å; L247-I268 HydrophobicContact CB-CD1 4.37Å; L247-I268 HydrophobicContact CD1-CD1 4.31Å
248E95.2Very high91.3Very high66 Ų6667 Ų6731%0.30835%0.345SS..THydrogen-bonded Turntrans-74.8-18.2171.7-67.574.2-165.500114.1S246 G250 V251 L257 R265S246-E248 WeakPolarHBondContact CB-OE2 3.33Å; S246-E248 PolarHBondContact O-N 3.17Å; S246-E248 PolarHBondContact OG-N 2.77Å; S246-E248 PolarHBondContact OG-OE2 3.42Å; E248-G250 PolarHBondContact O-N 3.26Å; E248-V251 PolarHBondContact O-N 2.78Å; E248-V251 VanDerWaalsContact O-N 3.14Å; E248-L257 HydrophobicContact CB-CD1 4.39Å; E248-L257 HydrophobicContact CG-CD1 4.14Å; E248-R265 IonicContact OE1-CZ 3.56Å; E248-R265 IonicContact OE1-NH1 2.62Å; E248-R265 PolarHBondContact OE1-NH1 3.22Å; E248-R265 IonicContact OE1-NH2 3.71Å; E248-R265 IonicContact OE2-NH1 3.61Å
249T94.2Very high91.6Very high38 Ų3869 Ų6923%0.23335%0.353CS..THydrogen-bonded Turntrans-74.9124.1-169.6-55.90000110P226 Y227 P245 S246 L247 V251P226-T249 WeakPolarHBondContact CA-O 3.46Å; P226-T249 HydrophobicContact CB-CG2 3.84Å; Y227-T249 HydrophobicContact CD1-CG2 4.16Å; Y227-T249 HydrophobicContact CE1-CG2 3.49Å; Y227-T249 VanDerWaalsContact CE1-CG2 3.49Å; P245-T249 HydrophobicContact CB-CG2 3.87Å; S246-T249 PolarHBondContact N-OG1 3.22Å; S246-T249 VanDerWaalsContact O-CB 3.27Å; S246-T249 WeakPolarHBondContact O-CB 3.25Å; S246-T249 PolarHBondContact O-N 3.12Å; S246-T249 PolarHBondContact O-OG1 3.42Å; L247-T249 VanDerWaalsContact C-N 3.34Å; T249-V251 VanDerWaalsContact C-N 3.33Å
250G86Confident92Very high36 Ų3669.1 Ų69.137%0.37135%0.352SS..THydrogen-bonded Turntrans88.7-10.4-17300000114.8P226 E248P226-G250 WeakPolarHBondContact O-CA 3.33Å; E248-G250 PolarHBondContact O-N 3.26Å
251V90.6Very high92.6Very high27 Ų2767.8 Ų67.816%0.16435%0.352CS..  trans-96.3129.6-177.2-174.30000110.8T222 E248 T249 D253 M256 L257T222-V251 HydrophobicContact CG2-CG2 3.55Å; E248-V251 PolarHBondContact O-N 2.78Å; E248-V251 VanDerWaalsContact O-N 3.14Å; T249-V251 VanDerWaalsContact C-N 3.33Å; V251-D253 WeakPolarHBondContact CG1-O 3.35Å; V251-M256 HydrophobicContact CG1-SD 3.94Å; V251-L257 HydrophobicContact CB-CD1 4.13Å; V251-L257 HydrophobicContact CG1-CD1 4.09Å; V251-L257 HydrophobicContact CG1-CD2 4.4Å; V251-L257 HydrophobicContact CG1-CG 4.18Å; V251-L257 HydrophobicContact CG2-CD1 4.17Å; V251-L257 HydrophobicContact CG2-CD2 4.35Å
252Q85.1Confident93Very high172 Ų17270.3 Ų70.380%0.80436%0.361SS*.SBendtrans-84.8-52.9179.7-71.5173.6-22.700112.2
253D88.4Confident93.3Very high94 Ų9468.5 Ų68.550%0.50335%0.353SS..  trans-87.9116.7175.4178.118.5000111.3V251 E255 M256V251-D253 WeakPolarHBondContact CG1-O 3.35Å; D253-E255 WeakPolarHBondContact OD1-CB 3.21Å; D253-E255 PolarHBondContact OD1-N 3.31Å; D253-M256 VanDerWaalsContact O-CB 3.3Å; D253-M256 WeakPolarHBondContact O-CB 3.45Å
254K88.9Confident93.5Very high146 Ų14661.7 Ų61.764%0.63532%0.317SS*.SBendtrans-77.8-18.5179.3-65.9-177.4179.5179.20113.4M256 L257K254-M256 VanDerWaalsContact C-N 3.27Å; K254-M256 PolarHBondContact O-N 3.22Å; K254-L257 PolarHBondContact O-N 3.33Å
255E88.3Confident93.6Very high112 Ų11262.8 Ų62.852%0.52332%0.315SS..G310 helixtrans-67.6-29.4175.8-73.4-76.8111.800111.7D253 L257 K258D253-E255 WeakPolarHBondContact OD1-CB 3.21Å; D253-E255 PolarHBondContact OD1-N 3.31Å; E255-L257 PolarHBondContact O-N 3.47Å; E255-K258 WeakPolarHBondContact O-CB 3.46Å; E255-K258 PolarHBondContact O-N 3.29Å; E255-K258 VanDerWaalsContact O-N 3.09Å; E255-K258 IonicContact OE1-NZ 2.74Å; E255-K258 PolarHBondContact OE1-NZ 2.9Å; E255-K258 WeakPolarHBondContact OE2-CD 3.49Å; E255-K258 IonicContact OE2-NZ 2.61Å; E255-K258 PolarHBondContact OE2-NZ 3.1Å
256M90.5Very high93.6Very high22 Ų2267.4 Ų67.411%0.10834%0.335CS..G310 helixtrans-48.4-32.8167-172.8-170.4-17800112.6H113 K114 S115 G116 T222 V251 D253 K254H113-M256 WeakPolarHBondContact O-CE 3.47Å; K114-M256 WeakPolarHBondContact O-CA 3.5Å; S115-M256 CarbonylContact C-O 3.58Å; G116-M256 VanDerWaalsContact N-CG 3.33Å; G116-M256 PolarHBondContact N-O 3.12Å; G116-M256 VanDerWaalsContact N-O 3.13Å; T222-M256 WeakPolarHBondContact O-CE 3.36Å; V251-M256 HydrophobicContact CG1-SD 3.94Å; D253-M256 VanDerWaalsContact O-CB 3.3Å; D253-M256 WeakPolarHBondContact O-CB 3.45Å; K254-M256 VanDerWaalsContact C-N 3.27Å; K254-M256 PolarHBondContact O-N 3.22Å
257L93.8Very high93.7Very high2 Ų265.2 Ų65.21%0.0132%0.319CS..G310 helixtrans-96.74.5-172.8-52.3179.1000114.1T222 L247 E248 V251 K254 E255 K259 Y260 R265T222-L257 HydrophobicContact CG2-CD2 4.25Å; L247-L257 HydrophobicContact CG-CD1 4.36Å; L247-L257 HydrophobicContact CG-CD2 4.22Å; L247-L257 VanDerWaalsContact O-CD1 3.24Å; L247-L257 WeakPolarHBondContact O-CD1 3.13Å; E248-L257 HydrophobicContact CB-CD1 4.39Å; E248-L257 HydrophobicContact CG-CD1 4.14Å; V251-L257 HydrophobicContact CB-CD1 4.13Å; V251-L257 HydrophobicContact CG1-CD1 4.09Å; V251-L257 HydrophobicContact CG1-CD2 4.4Å; V251-L257 HydrophobicContact CG1-CG 4.18Å; V251-L257 HydrophobicContact CG2-CD1 4.17Å; V251-L257 HydrophobicContact CG2-CD2 4.35Å; K254-L257 PolarHBondContact O-N 3.33Å; E255-L257 PolarHBondContact O-N 3.47Å; L257-K259 VanDerWaalsContact C-N 3.31Å; L257-K259 PolarHBondContact O-N 3.05Å; L257-Y260 HydrophobicContact CB-CD2 4.3Å; L257-Y260 HydrophobicContact CD2-CD2 4.15Å; L257-Y260 HydrophobicContact CD2-CE2 4.16Å; L257-Y260 PolarHBondContact O-N 3.38Å; L257-R265 PolarHBondContact O-NH2 2.77Å
258K92.3Very high93.8Very high146 Ų14665.2 Ų65.264%0.63532%0.319SS*.THydrogen-bonded Turntrans-66.1-27.5-173-165.6172-162.5145.90113.8E255 Y260E255-K258 WeakPolarHBondContact O-CB 3.46Å; E255-K258 PolarHBondContact O-N 3.29Å; E255-K258 VanDerWaalsContact O-N 3.09Å; E255-K258 IonicContact OE1-NZ 2.74Å; E255-K258 PolarHBondContact OE1-NZ 2.9Å; E255-K258 WeakPolarHBondContact OE2-CD 3.49Å; E255-K258 IonicContact OE2-NZ 2.61Å; E255-K258 PolarHBondContact OE2-NZ 3.1Å; K258-Y260 VanDerWaalsContact C-N 3.3Å; K258-Y260 PolarHBondContact O-N 2.83Å
259K93.4Very high94Very high78 Ų7864.4 Ų64.434%0.33932%0.321SS..THydrogen-bonded Turntrans-75.9-13.4177.176.4177.6176.6-152.50114.5S115 G116 L118 L257S115-K259 WeakPolarHBondContact O-CD 3.33Å; S115-K259 WeakPolarHBondContact O-CE 3.44Å; S115-K259 WeakPolarHBondContact O-CG 3.1Å; S115-K259 PolarHBondContact O-NZ 2.69Å; G116-K259 VanDerWaalsContact C-NZ 3.33Å; G116-K259 PolarHBondContact O-NZ 2.96Å; L118-K259 VanDerWaalsContact O-CE 3.23Å; L118-K259 WeakPolarHBondContact O-CE 3.45Å; L257-K259 VanDerWaalsContact C-N 3.31Å; L257-K259 PolarHBondContact O-N 3.05Å
260Y97.3Very high94.2Very high7 Ų764.8 Ų64.83%0.02732%0.322CS..  trans-92.2116.9-174.9-60.3-62.5000111.5G116 V117 L118 E120 I123 A221 L247 L257 K258 F264 R265G116-Y260 WeakPolarHBondContact CA-OH 3.39Å; V117-Y260 PolarHBondContact N-OH 2.82Å; L118-Y260 WeakPolarHBondContact O-CE1 3.44Å; L118-Y260 PolarHBondContact O-OH 2.79Å; E120-Y260 HydrophobicContact CG-CD1 3.9Å; I123-Y260 HydrophobicContact CD1-CE1 3.89Å; A221-Y260 WeakPolarHBondContact CA-OH 3.24Å; A221-Y260 HydrophobicContact CB-CD1 4.45Å; A221-Y260 HydrophobicContact CB-CD2 4.46Å; A221-Y260 HydrophobicContact CB-CE1 3.85Å; A221-Y260 HydrophobicContact CB-CE2 3.87Å; A221-Y260 PolarHBondContact O-OH 3.43Å; A221-Y260 VanDerWaalsContact O-OH 3.13Å; L247-Y260 HydrophobicContact CD2-CD2 3.86Å; L247-Y260 HydrophobicContact CD2-CG 3.84Å; L257-Y260 HydrophobicContact CB-CD2 4.3Å; L257-Y260 HydrophobicContact CD2-CD2 4.15Å; L257-Y260 HydrophobicContact CD2-CE2 4.16Å; L257-Y260 PolarHBondContact O-N 3.38Å; K258-Y260 VanDerWaalsContact C-N 3.3Å; K258-Y260 PolarHBondContact O-N 2.83Å; Y260-F264 AromaticContact CD1-CD1 3.89Å; Y260-F264 HydrophobicContact CD1-CD1 3.89Å; Y260-F264 AromaticContact CD1-CE1 3.95Å; Y260-F264 HydrophobicContact CD1-CE1 3.95Å; Y260-F264 HydrophobicContact CE1-CE1 4.43Å; Y260-F264 HydrophobicContact CG-CD1 4.16Å; Y260-F264 HydrophobicContact CG-CE1 4.35Å; Y260-R265 PolarHBondContact O-NE 2.71Å
261G97.2Very high94.8Very high26 Ų2663.1 Ų63.127%0.26830%0.304SS..  trans-83.1168.8-171.200000114.6E120 S263 F264 R265E120-G261 PolarHBondContact OE1-N 3.42Å; G261-S263 PolarHBondContact O-N 3.08Å; G261-S263 VanDerWaalsContact O-N 3.12Å; G261-F264 PolarHBondContact O-N 3.17Å; G261-F264 VanDerWaalsContact O-N 3.12Å; G261-R265 WeakPolarHBondContact O-CD 3.13Å; G261-R265 WeakPolarHBondContact O-CG 3.12Å; G261-R265 PolarHBondContact O-N 2.87Å
262K97.7Very high95.1Very high190 Ų19062.1 Ų62.183%0.82630%0.298SS*.Hα-helixtrans-56.3-29.7179.3-65.8-173.9178.7-177.40113.2K266K262-K266 VanDerWaalsContact O-CB 3.29Å; K262-K266 WeakPolarHBondContact O-CB 3.48Å; K262-K266 PolarHBondContact O-N 3.36Å
263S98.2Very high95.7Very high33 Ų3356.2 Ų56.223%0.23127%0.27CS..Hα-helixtrans-66.3-44.6176.144.90000113.1G261 K266 M267 H288G261-S263 PolarHBondContact O-N 3.08Å; G261-S263 VanDerWaalsContact O-N 3.12Å; S263-K266 PolarHBondContact O-N 3.41Å; S263-M267 PolarHBondContact O-N 2.92Å; S263-H288 PolarHBondContact O-CE1 3.33Å; S263-H288 VanDerWaalsContact O-CE1 3.3Å
264F98.6Very high95.9Very high0 Ų054.8 Ų54.80%026%0.26CS..Hα-helixtrans-66.9-44.8179.2-177.5-129000111E120 I123 A217 A221 L247 Y260 G261 K266 M267 I268 F290E120-F264 VanDerWaalsContact OE1-CB 3.29Å; E120-F264 WeakPolarHBondContact OE1-CB 3.44Å; I123-F264 HydrophobicContact CD1-CE1 4.47Å; I123-F264 HydrophobicContact CD1-CZ 4.06Å; I123-F264 HydrophobicContact CG2-CE2 3.69Å; I123-F264 HydrophobicContact CG2-CZ 3.91Å; A217-F264 HydrophobicContact CB-CE2 4.11Å; A217-F264 HydrophobicContact CB-CZ 4.25Å; A217-F264 VanDerWaalsContact O-CZ 3.29Å; A217-F264 WeakPolarHBondContact O-CZ 3.41Å; A221-F264 HydrophobicContact CB-CE1 3.86Å; A221-F264 HydrophobicContact CB-CZ 4.2Å; L247-F264 HydrophobicContact CD1-CE1 4.19Å; L247-F264 HydrophobicContact CD2-CD1 3.96Å; L247-F264 HydrophobicContact CD2-CE1 4.04Å; Y260-F264 AromaticContact CD1-CD1 3.89Å; Y260-F264 HydrophobicContact CD1-CD1 3.89Å; Y260-F264 AromaticContact CD1-CE1 3.95Å; Y260-F264 HydrophobicContact CD1-CE1 3.95Å; Y260-F264 HydrophobicContact CE1-CE1 4.43Å; Y260-F264 HydrophobicContact CG-CD1 4.16Å; Y260-F264 HydrophobicContact CG-CE1 4.35Å; G261-F264 PolarHBondContact O-N 3.17Å; G261-F264 VanDerWaalsContact O-N 3.12Å; F264-K266 VanDerWaalsContact C-N 3.31Å; F264-K266 PolarHBondContact O-N 3.27Å; F264-M267 HydrophobicContact CD2-CE 3.81Å; F264-M267 HydrophobicContact CE2-CE 3.73Å; F264-M267 WeakPolarHBondContact O-CB 3.31Å; F264-M267 PolarHBondContact O-N 2.85Å; F264-M267 VanDerWaalsContact O-N 3.12Å; F264-I268 HydrophobicContact CD1-CD1 3.93Å; F264-I268 HydrophobicContact CD2-CD1 4.36Å; F264-I268 HydrophobicContact CE1-CD1 3.73Å; F264-I268 HydrophobicContact CE2-CD1 4.17Å; F264-I268 HydrophobicContact CG-CD1 4.28Å; F264-I268 HydrophobicContact CZ-CD1 3.87Å; F264-I268 WeakPolarHBondContact O-CG1 3.31Å; F264-I268 PolarHBondContact O-N 3.34Å; F264-F290 HydrophobicContact CB-CD2 3.72Å; F264-F290 HydrophobicContact CB-CE2 3.62Å; F264-F290 HydrophobicContact CB-CZ 4.42Å; F264-F290 HydrophobicContact CD2-CD1 4.15Å; F264-F290 AromaticContact CD2-CD2 3.84Å; F264-F290 HydrophobicContact CD2-CD2 3.84Å; F264-F290 AromaticContact CD2-CE1 3.66Å; F264-F290 HydrophobicContact CD2-CE1 3.66Å; F264-F290 AromaticContact CD2-CE2 3.34Å; F264-F290 HydrophobicContact CD2-CE2 3.34Å; F264-F290 HydrophobicContact CD2-CG 4.23Å; F264-F290 AromaticContact CD2-CZ 3.24Å; F264-F290 HydrophobicContact CD2-CZ 3.24Å; F264-F290 AromaticContact CE2-CE1 3.94Å; F264-F290 HydrophobicContact CE2-CE1 3.94Å; F264-F290 HydrophobicContact CE2-CE2 4.17Å; F264-F290 AromaticContact CE2-CZ 3.63Å; F264-F290 HydrophobicContact CE2-CZ 3.63Å; F264-F290 HydrophobicContact CG-CD2 4.21Å; F264-F290 AromaticContact CG-CE2 3.74Å; F264-F290 HydrophobicContact CG-CE2 3.74Å; F264-F290 HydrophobicContact CG-CZ 4.07Å
265R98.4Very high96.1Very high66 Ų6650.4 Ų50.425%0.24924%0.243CC..Hα-helixtrans-60.1-38.8175.9-63.5162.8176-79.46.2112.1L247 E248 L257 Y260 G261 S269L247-R265 HydrophobicContact CD2-CG 4.19Å; E248-R265 IonicContact OE1-CZ 3.56Å; E248-R265 IonicContact OE1-NH1 2.62Å; E248-R265 PolarHBondContact OE1-NH1 3.22Å; E248-R265 IonicContact OE1-NH2 3.71Å; E248-R265 IonicContact OE2-NH1 3.61Å; L257-R265 PolarHBondContact O-NH2 2.77Å; Y260-R265 PolarHBondContact O-NE 2.71Å; G261-R265 WeakPolarHBondContact O-CD 3.13Å; G261-R265 WeakPolarHBondContact O-CG 3.12Å; G261-R265 PolarHBondContact O-N 2.87Å; R265-S269 PolarHBondContact O-N 2.82Å
266K98.4Very high96.3Very high104 Ų10446.8 Ų46.845%0.45223%0.229SC..Hα-helixtrans-68-39.8174.4-176.364.6-151.9147.20112.2K262 S263 F264 S269 L270K262-K266 VanDerWaalsContact O-CB 3.29Å; K262-K266 WeakPolarHBondContact O-CB 3.48Å; K262-K266 PolarHBondContact O-N 3.36Å; S263-K266 PolarHBondContact O-N 3.41Å; F264-K266 VanDerWaalsContact C-N 3.31Å; F264-K266 PolarHBondContact O-N 3.27Å; K266-S269 WeakPolarHBondContact CA-OG 3.36Å; K266-S269 WeakPolarHBondContact CD-OG 3.27Å; K266-S269 PolarHBondContact NZ-OG 2.83Å; K266-S269 PolarHBondContact O-N 2.7Å; K266-S269 PolarHBondContact O-OG 2.73Å; K266-L270 WeakPolarHBondContact O-CG 3.5Å; K266-L270 PolarHBondContact O-N 2.71Å; K266-L270 VanDerWaalsContact O-N 3.17Å
267M98.7Very high96.5Very high0 Ų053.7 Ų53.70%026%0.261CS..Hα-helixtrans-57.6-52.7174.1-173.7-83.5-73.300110.7L127 F213 A217 S263 F264 S269 L270 C271 L285 F290 F291L127-M267 HydrophobicContact CD1-CE 4.22Å; F213-M267 HydrophobicContact CE1-CE 4.38Å; F213-M267 HydrophobicContact CE1-SD 3.79Å; A217-M267 HydrophobicContact CB-CE 3.83Å; S263-M267 PolarHBondContact O-N 2.92Å; F264-M267 HydrophobicContact CD2-CE 3.81Å; F264-M267 HydrophobicContact CE2-CE 3.73Å; F264-M267 WeakPolarHBondContact O-CB 3.31Å; F264-M267 PolarHBondContact O-N 2.85Å; F264-M267 VanDerWaalsContact O-N 3.12Å; M267-S269 VanDerWaalsContact C-N 3.29Å; M267-S269 PolarHBondContact O-N 3.27Å; M267-L270 WeakPolarHBondContact O-CB 3.38Å; M267-L270 PolarHBondContact O-N 3.09Å; M267-C271 PolarHBondContact O-N 2.91Å; M267-C271 PolarHBondContact O-SG 3.13Å; M267-C271 VanDerWaalsContact O-SG 3.42Å; M267-L285 HydrophobicContact CG-CD2 4.19Å; M267-F290 HydrophobicContact CB-CB 4.39Å; M267-F290 HydrophobicContact CE-CD1 4.06Å; M267-F290 HydrophobicContact CE-CE1 4.16Å; M267-F291 HydrophobicContact CE-CZ 4.4Å; M267-F291 HydrophobicContact CG-CE2 4.1Å; M267-F291 HydrophobicContact CG-CZ 4.29Å
268I98.7Very high96.7Very high4 Ų459.9 Ų59.92%0.02129%0.288CS..Hα-helixtrans-54-45.1176-67.1166.4000111.2A217 I218 L247 F264 L270 C271 L272A217-I268 HydrophobicContact CB-CD1 4.48Å; A217-I268 HydrophobicContact CB-CG1 4.05Å; I218-I268 HydrophobicContact CD1-CG2 3.98Å; I218-I268 HydrophobicContact CG1-CD1 4.06Å; I218-I268 HydrophobicContact CG1-CG2 4.05Å; L247-I268 HydrophobicContact CB-CD1 4.37Å; L247-I268 HydrophobicContact CD1-CD1 4.31Å; F264-I268 HydrophobicContact CD1-CD1 3.93Å; F264-I268 HydrophobicContact CD2-CD1 4.36Å; F264-I268 HydrophobicContact CE1-CD1 3.73Å; F264-I268 HydrophobicContact CE2-CD1 4.17Å; F264-I268 HydrophobicContact CG-CD1 4.28Å; F264-I268 HydrophobicContact CZ-CD1 3.87Å; F264-I268 WeakPolarHBondContact O-CG1 3.31Å; F264-I268 PolarHBondContact O-N 3.34Å; I268-L270 PolarHBondContact O-N 2.98Å; I268-C271 PolarHBondContact O-N 2.82Å; I268-L272 HydrophobicContact CG2-CD1 3.61Å; I268-L272 HydrophobicContact CG2-CG 4.26Å; I268-L272 WeakPolarHBondContact O-CB 3.33Å; I268-L272 PolarHBondContact O-N 2.79Å
269S98.5Very high96.9Very high50 Ų5053.1 Ų53.135%0.3526%0.259SS..Hα-helixtrans-67.5-15178.477.20000115.8R265 K266 M267R265-S269 PolarHBondContact O-N 2.82Å; K266-S269 WeakPolarHBondContact CA-OG 3.36Å; K266-S269 WeakPolarHBondContact CD-OG 3.27Å; K266-S269 PolarHBondContact NZ-OG 2.83Å; K266-S269 PolarHBondContact O-N 2.7Å; K266-S269 PolarHBondContact O-OG 2.73Å; M267-S269 VanDerWaalsContact C-N 3.29Å; M267-S269 PolarHBondContact O-N 3.27Å
270L98.6Very high97.2Very high46 Ų4650.2 Ų50.224%0.24125%0.248CC..Hα-helixtrans-86.3-38.3173.4-69.1167.2000110.3K266 M267 I268 Q273 P280K266-L270 WeakPolarHBondContact O-CG 3.5Å; K266-L270 PolarHBondContact O-N 2.71Å; K266-L270 VanDerWaalsContact O-N 3.17Å; M267-L270 WeakPolarHBondContact O-CB 3.38Å; M267-L270 PolarHBondContact O-N 3.09Å; I268-L270 PolarHBondContact O-N 2.98Å; L270-Q273 PolarHBondContact O-NE2 2.77Å; L270-P280 HydrophobicContact CB-CG 4.05Å; L270-P280 WeakPolarHBondContact O-CD 3.49Å
271C98.7Very high97.2Very high0 Ų051.8 Ų51.80%026%0.258CS..Hα-helixtrans-68.3-46.8175.2-58.80000112.2I210 M267 I268 Q273 R279I210-C271 HydrophobicContact CG2-CB 4.25Å; I210-C271 WeakPolarHBondContact O-CB 3.31Å; M267-C271 PolarHBondContact O-N 2.91Å; M267-C271 PolarHBondContact O-SG 3.13Å; M267-C271 VanDerWaalsContact O-SG 3.42Å; I268-C271 PolarHBondContact O-N 2.82Å; C271-Q273 PolarHBondContact O-N 2.7Å; C271-Q273 VanDerWaalsContact O-N 3.14Å; C271-R279 VanDerWaalsContact O-CD 3.29Å; C271-R279 WeakPolarHBondContact O-CD 3.17Å; C271-R279 WeakPolarHBondContact O-CG 3.46Å
272L98.4Very high97.3Very high7 Ų750.7 Ų50.74%0.03725%0.246CC..  trans-90.873.4-174-59.3-178.7000111.2W211 I215 I218 P244 P245 I268W211-L272 HydrophobicContact CD2-CD2 3.63Å; W211-L272 HydrophobicContact CE3-CB 4.39Å; W211-L272 HydrophobicContact CE3-CD2 3.9Å; W211-L272 HydrophobicContact CG-CD2 3.95Å; W211-L272 HydrophobicContact CZ2-CD2 4.31Å; W211-L272 HydrophobicContact CZ3-CB 4.26Å; W211-L272 HydrophobicContact CZ3-CD2 4.34Å; W211-L272 WeakPolarHBondContact O-CD2 3.41Å; I215-L272 HydrophobicContact CD1-CD1 4.06Å; I215-L272 HydrophobicContact CD1-CD2 3.75Å; I215-L272 HydrophobicContact CG1-CD2 3.97Å; I218-L272 HydrophobicContact CD1-CD1 3.67Å; P244-L272 HydrophobicContact CB-CB 4.14Å; P244-L272 WeakPolarHBondContact CB-O 3.37Å; P244-L272 WeakPolarHBondContact CG-O 3.22Å; P245-L272 HydrophobicContact CG-CD1 4.26Å; P245-L272 VanDerWaalsContact O-CD1 3.22Å; P245-L272 WeakPolarHBondContact O-CD1 3.32Å; I268-L272 HydrophobicContact CG2-CD1 3.61Å; I268-L272 HydrophobicContact CG2-CG 4.26Å; I268-L272 WeakPolarHBondContact O-CB 3.33Å; I268-L272 PolarHBondContact O-N 2.79Å
273Q97.3Very high97.3Very high48 Ų4842.9 Ų42.922%0.22422%0.217CC..  trans-120.8136.1171-66179.98900109L270 C271 D275 K278 R279L270-Q273 PolarHBondContact O-NE2 2.77Å; C271-Q273 PolarHBondContact O-N 2.7Å; C271-Q273 VanDerWaalsContact O-N 3.14Å; Q273-D275 VanDerWaalsContact C-N 3.31Å; Q273-D275 PolarHBondContact O-N 3.43Å; Q273-K278 PolarHBondContact NE2-O 3Å; Q273-R279 HydrophobicContact CB-CG 4.25Å; Q273-R279 PolarHBondContact O-NE 2.71Å; Q273-R279 PolarHBondContact O-NH2 3.19Å
274K92.3Very high97.3Very high64 Ų6445.8 Ų45.828%0.27823%0.227SC..SBendtrans-58.4-47.7-179.3-62.5-55.2-171.483.50111.2P195 W211 T239 L240 N242 P244 P276 R279P195-K274 HydrophobicContact CB-CD 4.23Å; P195-K274 HydrophobicContact CG-CB 4.43Å; P195-K274 HydrophobicContact CG-CD 3.88Å; W211-K274 HydrophobicContact CH2-CD 4.15Å; W211-K274 HydrophobicContact CZ3-CD 4.23Å; T239-K274 WeakPolarHBondContact O-CE 3.47Å; T239-K274 PolarHBondContact O-NZ 3.22Å; L240-K274 PolarHBondContact O-NZ 3.34Å; N242-K274 WeakPolarHBondContact O-CE 3.28Å; N242-K274 PolarHBondContact O-NZ 3.29Å; P244-K274 HydrophobicContact CG-CD 4.14Å; P244-K274 HydrophobicContact CG-CG 4.06Å; K274-P276 WeakPolarHBondContact O-CD 3.5Å; K274-R279 PolarHBondContact O-NH2 3.46Å
275D93.1Very high97.3Very high53 Ų5345.8 Ų45.828%0.28323%0.227SC..SBendtrans-66118.7172.8-178-31.1000111.2Q273 E277 K278Q273-D275 VanDerWaalsContact C-N 3.31Å; Q273-D275 PolarHBondContact O-N 3.43Å; D275-E277 WeakPolarHBondContact OD1-CA 3.27Å; D275-E277 WeakPolarHBondContact OD1-CB 3.44Å; D275-E277 PolarHBondContact OD1-N 2.82Å; D275-K278 HydrophobicContact CB-CB 4.33Å; D275-K278 HydrophobicContact CB-CD 4.1Å; D275-K278 HydrophobicContact CB-CG 4.13Å; D275-K278 PolarHBondContact OD1-N 2.71Å; D275-K278 IonicContact OD2-NZ 2.69Å; D275-K278 PolarHBondContact OD2-NZ 2.9Å
276P92.3Very high97.3Very high36 Ų3644.2 Ų44.223%0.23422%0.224CC..SBendtrans-74.1-25.8179.930-34.4000113.5K207 K274 K278 R279K207-P276 HydrophobicContact CB-CB 3.8Å; K207-P276 HydrophobicContact CG-CB 4.36Å; K207-P276 WeakPolarHBondContact CG-O 3.45Å; K207-P276 PolarHBondContact NZ-O 2.93Å; K274-P276 WeakPolarHBondContact O-CD 3.5Å; P276-K278 VanDerWaalsContact C-N 3.31Å; P276-K278 PolarHBondContact O-N 2.72Å; P276-R279 PolarHBondContact O-N 3.14Å
277E94Very high97.3Very high168 Ų16848 Ų4879%0.78524%0.235SC*.THydrogen-bonded Turntrans-64.5-41.2177.5-63.2-171.1173.900110.2K207 D275 R279K207-E277 PolarHBondContact NZ-O 2.63Å; D275-E277 WeakPolarHBondContact OD1-CA 3.27Å; D275-E277 WeakPolarHBondContact OD1-CB 3.44Å; D275-E277 PolarHBondContact OD1-N 2.82Å; E277-R279 PolarHBondContact O-N 3.32Å
278K97.6Very high97.3Very high132 Ų13249.8 Ų49.857%0.57424%0.243SC*.THydrogen-bonded Turntrans-67-17.2177.6-66.1-174177.881.70114.6Q273 D275 P276Q273-K278 PolarHBondContact NE2-O 3Å; D275-K278 HydrophobicContact CB-CB 4.33Å; D275-K278 HydrophobicContact CB-CD 4.1Å; D275-K278 HydrophobicContact CB-CG 4.13Å; D275-K278 PolarHBondContact OD1-N 2.71Å; D275-K278 IonicContact OD2-NZ 2.69Å; D275-K278 PolarHBondContact OD2-NZ 2.9Å; P276-K278 VanDerWaalsContact C-N 3.31Å; P276-K278 PolarHBondContact O-N 2.72Å
279R98.1Very high97.3Very high3 Ų356.5 Ų56.51%0.01127%0.273CS..SBendtrans-72.2134.3176.5-59.9-179.6-158.2144.813.1109.9E196 K207 I210 C271 Q273 K274 P276 E277E196-R279 IonicContact OE1-CZ 3.78Å; E196-R279 IonicContact OE1-NH1 3.78Å; E196-R279 PolarHBondContact OE1-NH1 2.95Å; E196-R279 IonicContact OE1-NH2 2.59Å; E196-R279 IonicContact OE2-CZ 2.81Å; E196-R279 IonicContact OE2-NH1 2.77Å; E196-R279 PolarHBondContact OE2-NH1 3.43Å; E196-R279 IonicContact OE2-NH2 2.65Å; E196-R279 PolarHBondContact OE2-NH2 3.31Å; K207-R279 HydrophobicContact CD-CB 4.35Å; K207-R279 WeakPolarHBondContact CE-O 3.37Å; K207-R279 PolarHBondContact NZ-O 3.06Å; K207-R279 WeakPolarHBondContact O-CD 3.47Å; K207-R279 PolarHBondContact O-NH1 2.81Å; I210-R279 HydrophobicContact CG2-CB 4.08Å; C271-R279 VanDerWaalsContact O-CD 3.29Å; C271-R279 WeakPolarHBondContact O-CD 3.17Å; C271-R279 WeakPolarHBondContact O-CG 3.46Å; Q273-R279 HydrophobicContact CB-CG 4.25Å; Q273-R279 PolarHBondContact O-NE 2.71Å; Q273-R279 PolarHBondContact O-NH2 3.19Å; K274-R279 PolarHBondContact O-NH2 3.46Å; P276-R279 PolarHBondContact O-N 3.14Å; E277-R279 PolarHBondContact O-N 3.32Å
280P98.4Very high97.3Very high18 Ų1854.1 Ų54.112%0.11726%0.256CS..PPolyproline II helixtrans-65.4155.9174.929.6-35.9000111.5I210 L270 E284 L285I210-P280 WeakPolarHBondContact CG2-O 3.46Å; L270-P280 HydrophobicContact CB-CG 4.05Å; L270-P280 WeakPolarHBondContact O-CD 3.49Å; P280-E284 HydrophobicContact CB-CB 3.83Å; P280-L285 HydrophobicContact CB-CD2 4.37Å; P280-L285 HydrophobicContact CB-CG 4.12Å; P280-L285 HydrophobicContact CG-CD1 4.11Å; P280-L285 HydrophobicContact CG-CD2 3.53Å; P280-L285 HydrophobicContact CG-CG 3.6Å
281T98.5Very high97.3Very high40 Ų4052.6 Ų52.625%0.24525%0.247CC..PPolyproline II helixtrans-69.7162.3164.460.40000111.2F206 A283 E284 L285F206-T281 HydrophobicContact CE2-CG2 4.14Å; F206-T281 HydrophobicContact CZ-CG2 4.45Å; T281-A283 PolarHBondContact O-N 3.21Å; T281-E284 WeakPolarHBondContact CB-OE2 3.34Å; T281-E284 WeakPolarHBondContact CG2-OE2 3.38Å; T281-E284 PolarHBondContact N-OE2 2.63Å; T281-E284 PolarHBondContact O-N 2.92Å; T281-E284 VanDerWaalsContact OG1-CD 3.28Å; T281-E284 VanDerWaalsContact OG1-CG 3.29Å; T281-E284 WeakPolarHBondContact OG1-CG 3.43Å; T281-E284 PolarHBondContact OG1-N 3.32Å; T281-E284 PolarHBondContact OG1-OE2 2.75Å; T281-L285 PolarHBondContact O-N 3.12Å
282A98.6Very high97.3Very high2 Ų259.8 Ų59.82%0.01728%0.281CS..Hα-helixtrans-56.9-40.3173.400000112.2L131 L134 E135 I210 E284 L285 L286L131-A282 HydrophobicContact CD2-CB 3.98Å; L134-A282 HydrophobicContact CB-CB 4.34Å; E135-A282 HydrophobicContact CB-CB 3.81Å; I210-A282 HydrophobicContact CD1-CB 4.36Å; A282-E284 PolarHBondContact O-N 2.85Å; A282-L285 PolarHBondContact O-N 2.81Å; A282-L285 VanDerWaalsContact O-N 3.1Å; A282-L286 PolarHBondContact O-N 3.18Å
283A98.4Very high97.3Very high26 Ų2663.1 Ų63.122%0.21530%0.295CS..Hα-helixtrans-61-24.5174.200000114.6E135 T281 R287E135-A283 VanDerWaalsContact CD-CB 3.46Å; E135-A283 HydrophobicContact CG-CB 4.27Å; E135-A283 WeakPolarHBondContact OE1-CB 3.34Å; E135-A283 WeakPolarHBondContact OE2-CA 3.46Å; E135-A283 WeakPolarHBondContact OE2-CB 3.37Å; E135-A283 PolarHBondContact OE2-N 2.7Å; T281-A283 PolarHBondContact O-N 3.21Å; A283-R287 PolarHBondContact O-NE 3.46Å; A283-R287 PolarHBondContact O-NH2 3.06Å
284E98.6Very high97.3Very high94 Ų9461.7 Ų61.744%0.43929%0.291SS..Hα-helixtrans-87.7-35.4173.9-72.7163.4135.800111.5P280 T281 A282 R287P280-E284 HydrophobicContact CB-CB 3.83Å; T281-E284 WeakPolarHBondContact CB-OE2 3.34Å; T281-E284 WeakPolarHBondContact CG2-OE2 3.38Å; T281-E284 PolarHBondContact N-OE2 2.63Å; T281-E284 PolarHBondContact O-N 2.92Å; T281-E284 VanDerWaalsContact OG1-CD 3.28Å; T281-E284 VanDerWaalsContact OG1-CG 3.29Å; T281-E284 WeakPolarHBondContact OG1-CG 3.43Å; T281-E284 PolarHBondContact OG1-N 3.32Å; T281-E284 PolarHBondContact OG1-OE2 2.75Å; A282-E284 PolarHBondContact O-N 2.85Å; E284-R287 PolarHBondContact O-N 2.78Å
285L98.6Very high97.6Very high1 Ų163.5 Ų63.51%0.00530%0.299CS..Hα-helixtrans-65.8-41.2174.2-74171.7000112.6L131 I210 F213 M267 P280 T281 A282 R287 H288 F291L131-L285 HydrophobicContact CD1-CB 3.58Å; L131-L285 HydrophobicContact CD2-CB 3.99Å; L131-L285 HydrophobicContact CD2-CD1 3.81Å; L131-L285 HydrophobicContact CG-CB 4.45Å; I210-L285 HydrophobicContact CD1-CD1 4.2Å; I210-L285 HydrophobicContact CG2-CD1 3.95Å; F213-L285 HydrophobicContact CD1-CD1 4.15Å; F213-L285 HydrophobicContact CE1-CD1 4.07Å; M267-L285 HydrophobicContact CG-CD2 4.19Å; P280-L285 HydrophobicContact CB-CD2 4.37Å; P280-L285 HydrophobicContact CB-CG 4.12Å; P280-L285 HydrophobicContact CG-CD1 4.11Å; P280-L285 HydrophobicContact CG-CD2 3.53Å; P280-L285 HydrophobicContact CG-CG 3.6Å; T281-L285 PolarHBondContact O-N 3.12Å; A282-L285 PolarHBondContact O-N 2.81Å; A282-L285 VanDerWaalsContact O-N 3.1Å; L285-R287 PolarHBondContact O-N 2.97Å; L285-R287 VanDerWaalsContact O-N 3.16Å; L285-H288 WeakPolarHBondContact O-CB 3.44Å; L285-H288 PolarHBondContact O-N 3.15Å; L285-F291 HydrophobicContact CB-CE2 4.5Å; L285-F291 WeakPolarHBondContact O-CD2 3.27Å; L285-F291 WeakPolarHBondContact O-CE2 3.3Å
286L98.5Very high97.7Very high32 Ų3265 Ų6517%0.16831%0.307CS..THydrogen-bonded Turntrans-56.8-31.6176.7-76.8167.2000112.9R128 L131 E132 E135 A282 H288R128-L286 HydrophobicContact CG-CD2 3.69Å; L131-L286 HydrophobicContact CB-CD1 4.26Å; L131-L286 HydrophobicContact CB-CD2 3.62Å; L131-L286 HydrophobicContact CB-CG 3.72Å; L131-L286 HydrophobicContact CD1-CD2 4.16Å; L131-L286 HydrophobicContact CD1-CG 4.21Å; E132-L286 HydrophobicContact CG-CD1 4.42Å; E132-L286 HydrophobicContact CG-CD2 4.26Å; E132-L286 WeakPolarHBondContact OE1-CD2 3.45Å; E135-L286 VanDerWaalsContact OE2-CD1 3.31Å; E135-L286 WeakPolarHBondContact OE2-CD1 3.29Å; A282-L286 PolarHBondContact O-N 3.18Å; L286-H288 VanDerWaalsContact C-N 3.29Å; L286-H288 PolarHBondContact O-N 3.04Å
287R98.3Very high97.8Very high183 Ų18367.3 Ų67.369%0.69131%0.314SS*.THydrogen-bonded Turntrans-79.4-6.1175.5-71.4177.1-78.6156.4-4113.9A283 E284 L285A283-R287 PolarHBondContact O-NE 3.46Å; A283-R287 PolarHBondContact O-NH2 3.06Å; E284-R287 PolarHBondContact O-N 2.78Å; L285-R287 PolarHBondContact O-N 2.97Å; L285-R287 VanDerWaalsContact O-N 3.16Å
288H98.6Very high97.8Very high38 Ų3863.7 Ų63.718%0.17630%0.297CS..SBendtrans-73.4138.9-177.5-173.5-101.2000112.3S263 L285 L286 F290 F291S263-H288 PolarHBondContact O-CE1 3.33Å; S263-H288 VanDerWaalsContact O-CE1 3.3Å; L285-H288 WeakPolarHBondContact O-CB 3.44Å; L285-H288 PolarHBondContact O-N 3.15Å; L286-H288 VanDerWaalsContact C-N 3.29Å; L286-H288 PolarHBondContact O-N 3.04Å; H288-F290 PolarHBondContact ND1-N 3.41Å; H288-F290 PolarHBondContact O-N 3.11Å; H288-F291 HydrophobicContact CB-CD2 4.22Å; H288-F291 HydrophobicContact CB-CE2 4.34Å; H288-F291 PolarHBondContact O-N 3.33Å
289K98.2Very high97.8Very high146 Ų14659.3 Ų59.364%0.63528%0.278SS*.G310 helixtrans-52.6-22.1-173.6-176.1166-175.4172.50115.4Q292K289-Q292 WeakPolarHBondContact O-CB 3.34Å; K289-Q292 PolarHBondContact O-N 3.13Å
290F98.7Very high97.6Very high0 Ų059.3 Ų59.30%028%0.278CS..G310 helixtrans-59.6-42.3174.1178.9-111.6000112.8E120 I123 A124 F264 M267 H288 Q292 K293E120-F290 HydrophobicContact CB-CE2 3.98Å; E120-F290 HydrophobicContact CG-CE2 4.12Å; E120-F290 WeakPolarHBondContact O-CZ 3.34Å; I123-F290 HydrophobicContact CB-CZ 4.22Å; I123-F290 HydrophobicContact CG2-CE1 4.21Å; I123-F290 HydrophobicContact CG2-CZ 3.93Å; A124-F290 HydrophobicContact CB-CD1 4.18Å; A124-F290 HydrophobicContact CB-CE1 3.67Å; A124-F290 HydrophobicContact CB-CE2 4.37Å; A124-F290 HydrophobicContact CB-CZ 3.77Å; F264-F290 HydrophobicContact CB-CD2 3.72Å; F264-F290 HydrophobicContact CB-CE2 3.62Å; F264-F290 HydrophobicContact CB-CZ 4.42Å; F264-F290 HydrophobicContact CD2-CD1 4.15Å; F264-F290 AromaticContact CD2-CD2 3.84Å; F264-F290 HydrophobicContact CD2-CD2 3.84Å; F264-F290 AromaticContact CD2-CE1 3.66Å; F264-F290 HydrophobicContact CD2-CE1 3.66Å; F264-F290 AromaticContact CD2-CE2 3.34Å; F264-F290 HydrophobicContact CD2-CE2 3.34Å; F264-F290 HydrophobicContact CD2-CG 4.23Å; F264-F290 AromaticContact CD2-CZ 3.24Å; F264-F290 HydrophobicContact CD2-CZ 3.24Å; F264-F290 AromaticContact CE2-CE1 3.94Å; F264-F290 HydrophobicContact CE2-CE1 3.94Å; F264-F290 HydrophobicContact CE2-CE2 4.17Å; F264-F290 AromaticContact CE2-CZ 3.63Å; F264-F290 HydrophobicContact CE2-CZ 3.63Å; F264-F290 HydrophobicContact CG-CD2 4.21Å; F264-F290 AromaticContact CG-CE2 3.74Å; F264-F290 HydrophobicContact CG-CE2 3.74Å; F264-F290 HydrophobicContact CG-CZ 4.07Å; M267-F290 HydrophobicContact CB-CB 4.39Å; M267-F290 HydrophobicContact CE-CD1 4.06Å; M267-F290 HydrophobicContact CE-CE1 4.16Å; H288-F290 PolarHBondContact ND1-N 3.41Å; H288-F290 PolarHBondContact O-N 3.11Å; F290-Q292 PolarHBondContact O-N 3.26Å; F290-K293 HydrophobicContact CD2-CD 3.99Å; F290-K293 HydrophobicContact CE2-CD 4.12Å; F290-K293 WeakPolarHBondContact O-CB 3.34Å; F290-K293 PolarHBondContact O-N 3.38Å
291F98.6Very high97.4Very high14 Ų1462.1 Ų62.16%0.06129%0.289CS..G310 helixtrans-73.5-9.1-174.4-59.7-77.4000113.9L127 R128 L131 F213 M267 L285 H288 K293 A294L127-F291 HydrophobicContact CB-CE1 3.89Å; R128-F291 HydrophobicContact CB-CD1 4.14Å; L131-F291 HydrophobicContact CD1-CD2 4.47Å; L131-F291 HydrophobicContact CD1-CE1 3.85Å; L131-F291 HydrophobicContact CD1-CE2 3.73Å; L131-F291 HydrophobicContact CD1-CZ 3.38Å; F213-F291 HydrophobicContact CE1-CZ 4.49Å; F213-F291 HydrophobicContact CZ-CZ 4.04Å; M267-F291 HydrophobicContact CE-CZ 4.4Å; M267-F291 HydrophobicContact CG-CE2 4.1Å; M267-F291 HydrophobicContact CG-CZ 4.29Å; L285-F291 HydrophobicContact CB-CE2 4.5Å; L285-F291 WeakPolarHBondContact O-CD2 3.27Å; L285-F291 WeakPolarHBondContact O-CE2 3.3Å; H288-F291 HydrophobicContact CB-CD2 4.22Å; H288-F291 HydrophobicContact CB-CE2 4.34Å; H288-F291 PolarHBondContact O-N 3.33Å; F291-K293 PolarHBondContact O-N 3.47Å; F291-K293 VanDerWaalsContact O-N 3.1Å; F291-A294 WeakPolarHBondContact O-CB 3.35Å; F291-A294 PolarHBondContact O-N 2.88Å
292Q98.1Very high97Very high151 Ų15166 Ų6671%0.70631%0.305SS*.G310 helixtrans-62.8-11.3165.9-60.4-179.7-11.800113.1K289 F290K289-Q292 WeakPolarHBondContact O-CB 3.34Å; K289-Q292 PolarHBondContact O-N 3.13Å; F290-Q292 PolarHBondContact O-N 3.26Å
293K98.2Very high96.7Very high76 Ų7670.2 Ų70.233%0.3332%0.323SS..G310 helixtrans-86.2-13.5173.3-65.9164.9171.8-84.20113.4E120 S121 A124 F290 F291E120-K293 HydrophobicContact CB-CD 4.07Å; E120-K293 WeakPolarHBondContact OE2-CE 3.26Å; E120-K293 IonicContact OE2-NZ 2.63Å; E120-K293 PolarHBondContact OE2-NZ 3.48Å; S121-K293 WeakPolarHBondContact CB-O 3.39Å; A124-K293 HydrophobicContact CB-CB 3.86Å; F290-K293 HydrophobicContact CD2-CD 3.99Å; F290-K293 HydrophobicContact CE2-CD 4.12Å; F290-K293 WeakPolarHBondContact O-CB 3.34Å; F290-K293 PolarHBondContact O-N 3.38Å; F291-K293 PolarHBondContact O-N 3.47Å; F291-K293 VanDerWaalsContact O-N 3.1Å
294A98.1Very high96.2Very high18 Ų1869.4 Ų69.415%0.14932%0.315CS..  trans-63.6154.2-177.700000112.1A124 T125 R128 F291A124-A294 HydrophobicContact CB-CB 4.2Å; A124-A294 WeakPolarHBondContact O-CB 3.46Å; T125-A294 WeakPolarHBondContact OG1-CA 3.3Å; R128-A294 HydrophobicContact CB-CB 4.5Å; F291-A294 WeakPolarHBondContact O-CB 3.35Å; F291-A294 PolarHBondContact O-N 2.88Å
295K97.7Very high95.7Very high103 Ų10366.3 Ų66.345%0.44830%0.301SS..  trans-119-161-178.6-58.2-60.8179.6-177.70110.3T125 R128 F299T125-K295 HydrophobicContact CG2-CB 4.35Å; T125-K295 PolarHBondContact OG1-N 3.28Å; R128-K295 PolarHBondContact NH1-O 2.99Å; R128-K295 PolarHBondContact NH2-O 3.09Å; K295-F299 HydrophobicContact CB-CB 3.69Å; K295-F299 HydrophobicContact CB-CD1 3.58Å; K295-F299 HydrophobicContact CB-CD2 4.45Å; K295-F299 HydrophobicContact CB-CE1 4.32Å; K295-F299 HydrophobicContact CB-CG 3.65Å; K295-F299 HydrophobicContact CG-CB 4.31Å; K295-F299 HydrophobicContact CG-CD1 3.69Å; K295-F299 HydrophobicContact CG-CD2 4.13Å; K295-F299 HydrophobicContact CG-CE1 3.97Å; K295-F299 HydrophobicContact CG-CE2 4.38Å; K295-F299 HydrophobicContact CG-CG 3.77Å; K295-F299 HydrophobicContact CG-CZ 4.3Å
296N95.8Very high95Very high84 Ų8473.1 Ų73.145%0.44933%0.333SS..  trans-97.4175.117358.3-27000111.2E298 F299N296-E298 VanDerWaalsContact C-N 3.34Å; N296-E298 VanDerWaalsContact CB-OE2 3.25Å; N296-E298 WeakPolarHBondContact CB-OE2 3.16Å; N296-E298 PolarHBondContact ND2-OE2 3.29Å; N296-F299 PolarHBondContact O-N 2.87Å; N296-F299 WeakPolarHBondContact OD1-CB 3.15Å
297K94.2Very high94.1Very high85 Ų8579 Ų7937%0.3735%0.353SS..Hα-helixtrans-69.6-30.9-179.865.6179.3-162.3167.30112.8D157 G158 F299 L300 Q301D157-K297 WeakPolarHBondContact O-CD 3.48Å; D157-K297 IonicContact OD2-NZ 2.75Å; D157-K297 PolarHBondContact OD2-NZ 3.46Å; G158-K297 WeakPolarHBondContact O-CB 3.26Å; K297-F299 VanDerWaalsContact C-N 3.27Å; K297-F299 PolarHBondContact O-N 3.15Å; K297-L300 WeakPolarHBondContact O-CA 3.41Å; K297-L300 WeakPolarHBondContact O-CB 3.4Å; K297-L300 PolarHBondContact O-N 3.06Å; K297-Q301 PolarHBondContact O-N 3.08Å
298E94.8Very high93.4Very high92 Ų9271.2 Ų71.243%0.4333%0.328SS..Hα-helixtrans-62.5-35.9177.7-6169.2-152.800111N296 Q301 E302N296-E298 VanDerWaalsContact C-N 3.34Å; N296-E298 VanDerWaalsContact CB-OE2 3.25Å; N296-E298 WeakPolarHBondContact CB-OE2 3.16Å; N296-E298 PolarHBondContact ND2-OE2 3.29Å; E298-Q301 PolarHBondContact O-N 3.47Å; E298-E302 PolarHBondContact O-N 3.06Å
299F96.3Very high92.6Very high40 Ų4070.1 Ų70.118%0.17532%0.324CS..Hα-helixtrans-62.7-40.2171170.4-95.5000112.3K295 N296 K297 Q301 K303K295-F299 HydrophobicContact CB-CB 3.69Å; K295-F299 HydrophobicContact CB-CD1 3.58Å; K295-F299 HydrophobicContact CB-CD2 4.45Å; K295-F299 HydrophobicContact CB-CE1 4.32Å; K295-F299 HydrophobicContact CB-CG 3.65Å; K295-F299 HydrophobicContact CG-CB 4.31Å; K295-F299 HydrophobicContact CG-CD1 3.69Å; K295-F299 HydrophobicContact CG-CD2 4.13Å; K295-F299 HydrophobicContact CG-CE1 3.97Å; K295-F299 HydrophobicContact CG-CE2 4.38Å; K295-F299 HydrophobicContact CG-CG 3.77Å; K295-F299 HydrophobicContact CG-CZ 4.3Å; N296-F299 PolarHBondContact O-N 2.87Å; N296-F299 WeakPolarHBondContact OD1-CB 3.15Å; K297-F299 VanDerWaalsContact C-N 3.27Å; K297-F299 PolarHBondContact O-N 3.15Å; F299-Q301 VanDerWaalsContact C-N 3.34Å; F299-K303 HydrophobicContact CE1-CB 4.42Å; F299-K303 HydrophobicContact CE1-CG 4.45Å; F299-K303 HydrophobicContact CE2-CB 4.38Å; F299-K303 HydrophobicContact CE2-CG 4.36Å; F299-K303 HydrophobicContact CZ-CB 4.29Å; F299-K303 HydrophobicContact CZ-CG 4.04Å; F299-K303 WeakPolarHBondContact O-CB 3.45Å; F299-K303 PolarHBondContact O-N 3.14Å
300L95.1Very high92Very high3 Ų366.8 Ų66.82%0.01632%0.316CS..Hα-helixtrans-67.2-36.9174.7-65.2-178.1000111.8T122 T125 I126 V160 K297 I304 L305T122-L300 HydrophobicContact CG2-CD2 4.22Å; T125-L300 HydrophobicContact CG2-CD1 3.86Å; T125-L300 HydrophobicContact CG2-CD2 4.07Å; T125-L300 HydrophobicContact CG2-CG 3.84Å; I126-L300 HydrophobicContact CG1-CD1 4.24Å; I126-L300 HydrophobicContact CG1-CD2 4.05Å; V160-L300 HydrophobicContact CG2-CD1 3.49Å; V160-L300 VanDerWaalsContact CG2-CD1 3.49Å; K297-L300 WeakPolarHBondContact O-CA 3.41Å; K297-L300 WeakPolarHBondContact O-CB 3.4Å; K297-L300 PolarHBondContact O-N 3.06Å; L300-I304 HydrophobicContact CD2-CD1 3.87Å; L300-I304 WeakPolarHBondContact O-CA 3.14Å; L300-I304 VanDerWaalsContact O-CB 3.31Å; L300-I304 WeakPolarHBondContact O-CB 3.41Å; L300-I304 PolarHBondContact O-N 3.01Å; L300-L305 PolarHBondContact O-N 2.55Å
301Q92.7Very high91.1Very high76 Ų7667.8 Ų67.836%0.35532%0.321SS..Hα-helixtrans-62.7-48.8177.1-168-176.157.300111.8E156 K297 E298 F299 L305 Q306E156-Q301 PolarHBondContact O-NE2 2.82Å; K297-Q301 PolarHBondContact O-N 3.08Å; E298-Q301 PolarHBondContact O-N 3.47Å; F299-Q301 VanDerWaalsContact C-N 3.34Å; Q301-L305 HydrophobicContact CB-CD1 4.43Å; Q301-L305 HydrophobicContact CG-CD1 4.35Å; Q301-L305 PolarHBondContact O-N 3.07Å; Q301-Q306 PolarHBondContact O-N 3.11Å; Q301-Q306 VanDerWaalsContact O-N 3.14Å
302E91.7Very high90.1Very high122 Ų12270.2 Ų70.257%0.5734%0.34SS*.Hα-helixtrans-66.1-47175.4-169.6-155.8134.200112.1E298E298-E302 PolarHBondContact O-N 3.06Å
303K90.9Very high89.4Confident90 Ų9067.7 Ų67.739%0.39133%0.328SS..Hα-helixtrans-79.1-34.9-168.4-166.562.8169.8-174.30113.6F299F299-K303 HydrophobicContact CE1-CB 4.42Å; F299-K303 HydrophobicContact CE1-CG 4.45Å; F299-K303 HydrophobicContact CE2-CB 4.38Å; F299-K303 HydrophobicContact CE2-CG 4.36Å; F299-K303 HydrophobicContact CZ-CB 4.29Å; F299-K303 HydrophobicContact CZ-CG 4.04Å; F299-K303 WeakPolarHBondContact O-CB 3.45Å; F299-K303 PolarHBondContact O-N 3.14Å
304I89.1Confident88.5Confident9 Ų965.2 Ų65.25%0.04632%0.317CS..THydrogen-bonded Turntrans-109.5-62.6-177-56.2-178.4000110.9I103 T122 I126 L154 L300 Q306 R307 A308I103-I304 HydrophobicContact CB-CG2 4.33Å; I103-I304 HydrophobicContact CD1-CG2 3.46Å; I103-I304 VanDerWaalsContact CD1-CG2 3.46Å; I103-I304 HydrophobicContact CG1-CG2 3.63Å; I103-I304 HydrophobicContact CG2-CG2 3.73Å; T122-I304 HydrophobicContact CG2-CD1 3.71Å; T122-I304 HydrophobicContact CG2-CG1 4.1Å; I126-I304 HydrophobicContact CD1-CD1 3.91Å; L154-I304 HydrophobicContact CD1-CG2 4.07Å; L300-I304 HydrophobicContact CD2-CD1 3.87Å; L300-I304 WeakPolarHBondContact O-CA 3.14Å; L300-I304 VanDerWaalsContact O-CB 3.31Å; L300-I304 WeakPolarHBondContact O-CB 3.41Å; L300-I304 PolarHBondContact O-N 3.01Å; I304-Q306 PolarHBondContact O-N 3.16Å; I304-R307 CarbonylContact O-C 3.54Å; I304-R307 WeakPolarHBondContact O-CA 3.2Å; I304-R307 WeakPolarHBondContact O-CB 3.12Å; I304-R307 PolarHBondContact O-N 3.29Å; I304-A308 PolarHBondContact O-N 3.35Å; I304-A308 VanDerWaalsContact O-N 3.09Å
305L86.9Confident87.2Confident29 Ų2964.7 Ų64.715%0.15231%0.312CS..G310 helixtrans-67.7-37.7-159.9-61.8178.2000113L154 G155 L300 Q301 R307 A308L154-L305 HydrophobicContact CB-CD2 4.01Å; L154-L305 HydrophobicContact CD1-CD2 3.9Å; G155-L305 WeakPolarHBondContact O-CD1 3.48Å; L300-L305 PolarHBondContact O-N 2.55Å; Q301-L305 HydrophobicContact CB-CD1 4.43Å; Q301-L305 HydrophobicContact CG-CD1 4.35Å; Q301-L305 PolarHBondContact O-N 3.07Å; L305-R307 PolarHBondContact O-N 3.24Å; L305-R307 VanDerWaalsContact O-N 3.07Å; L305-A308 PolarHBondContact O-N 2.83Å
306Q83.7Confident85.7Confident145 Ų14567.2 Ų67.268%0.67832%0.323SS*.G310 helixtrans-63.3-10.4172.6-68.4178.712.900114.3Q301 I304Q301-Q306 PolarHBondContact O-N 3.11Å; Q301-Q306 VanDerWaalsContact O-N 3.14Å; I304-Q306 PolarHBondContact O-N 3.16Å
307R80.7Confident84Confident155 Ų15572 Ų7259%0.58534%0.34SS*.G310 helixtrans-116.5-5.7-178.8-56-178.6179.8-133.6-7.5113.3H106 I304 L305H106-R307 PolarHBondContact CD2-O 2.93Å; I304-R307 CarbonylContact O-C 3.54Å; I304-R307 WeakPolarHBondContact O-CA 3.2Å; I304-R307 WeakPolarHBondContact O-CB 3.12Å; I304-R307 PolarHBondContact O-N 3.29Å; L305-R307 PolarHBondContact O-N 3.24Å; L305-R307 VanDerWaalsContact O-N 3.07Å
308A82.6Confident82.1Confident20 Ų2070.5 Ų70.517%0.16534%0.338CS..SBendtrans-83.2153.8-176.200000111.4I103 I304 L305I103-A308 HydrophobicContact CD1-CB 3.46Å; I103-A308 VanDerWaalsContact CD1-CB 3.46Å; I304-A308 PolarHBondContact O-N 3.35Å; I304-A308 VanDerWaalsContact O-N 3.09Å; L305-A308 PolarHBondContact O-N 2.83Å
309P82.4Confident79.5Confident15 Ų1575.9 Ų75.910%0.09735%0.354CS..PPolyproline II helixtrans-69.8135.1168.630.4-31.7000109.3H106 E313 R314H106-P309 HydrophobicContact CB-CG 4.38Å; P309-E313 HydrophobicContact CB-CB 4.29Å; P309-R314 HydrophobicContact CB-CG 4.18Å; P309-R314 HydrophobicContact CG-CG 3.99Å; P309-R314 PolarHBondContact O-NH1 2.84Å
310T85.2Confident76.8Confident75 Ų7579.2 Ų79.246%0.4637%0.366SS..PPolyproline II helixtrans-63.9161.7178.2610000112.3S312 E313 R314T310-S312 PolarHBondContact O-N 2.84Å; T310-E313 WeakPolarHBondContact CB-OE2 3.34Å; T310-E313 WeakPolarHBondContact CG2-OE2 3.23Å; T310-E313 PolarHBondContact N-OE2 3.45Å; T310-E313 PolarHBondContact O-N 3.46Å; T310-E313 VanDerWaalsContact OG1-CG 3.3Å; T310-E313 WeakPolarHBondContact OG1-CG 3.18Å; T310-E313 PolarHBondContact OG1-N 2.86Å; T310-E313 PolarHBondContact OG1-OE2 3.11Å; T310-R314 WeakPolarHBondContact O-CG 3.27Å; T310-R314 PolarHBondContact O-N 3.37Å
311I79.6Confident73.8Confident22 Ų2283.6 Ų83.611%0.11339%0.392CS..Hα-helixtrans-54.1-38.7176.5-166173000112.5I23 L94 R314 A315I23-I311 HydrophobicContact CD1-CD1 3.98Å; I23-I311 HydrophobicContact CG1-CD1 4.04Å; I23-I311 HydrophobicContact CG2-CD1 4.35Å; I23-I311 HydrophobicContact CG2-CG1 4.37Å; L94-I311 HydrophobicContact CD1-CD1 4.05Å; I311-R314 PolarHBondContact O-N 3.24Å; I311-A315 VanDerWaalsContact O-CB 3.28Å; I311-A315 WeakPolarHBondContact O-CB 3.46Å; I311-A315 PolarHBondContact O-N 2.83Å
312S78.3Confident70.8Confident64 Ų6485.9 Ų85.945%0.44841%0.414SS..Hα-helixtrans-71.9-31.4178.5-46.60000113.2T310 K316T310-S312 PolarHBondContact O-N 2.84Å; S312-K316 WeakPolarHBondContact O-CG 3.48Å; S312-K316 PolarHBondContact O-N 3.03Å
313E82.2Confident68Low99 Ų9983.9 Ų83.946%0.46343%0.426SS..Hα-helixtrans-72.7-34173.3-72.1166.3119.300112.2P309 T310P309-E313 HydrophobicContact CB-CB 4.29Å; T310-E313 WeakPolarHBondContact CB-OE2 3.34Å; T310-E313 WeakPolarHBondContact CG2-OE2 3.23Å; T310-E313 PolarHBondContact N-OE2 3.45Å; T310-E313 PolarHBondContact O-N 3.46Å; T310-E313 VanDerWaalsContact OG1-CG 3.3Å; T310-E313 WeakPolarHBondContact OG1-CG 3.18Å; T310-E313 PolarHBondContact OG1-N 2.86Å; T310-E313 PolarHBondContact OG1-OE2 3.11Å
314R79.5Confident65.2Low24 Ų2481.8 Ų81.89%0.09142%0.423CS..Hα-helixtrans-68.8-48.8171.3-61.6-173-55.5-107.88.6111.1S96 G97 D102 P309 T310 I311 K316 K317S96-R314 PolarHBondContact O-NH2 3.24Å; G97-R314 PolarHBondContact O-NH1 2.58Å; D102-R314 VanDerWaalsContact CG-CD 3.5Å; D102-R314 WeakPolarHBondContact OD1-CD 3.45Å; P309-R314 HydrophobicContact CB-CG 4.18Å; P309-R314 HydrophobicContact CG-CG 3.99Å; P309-R314 PolarHBondContact O-NH1 2.84Å; T310-R314 WeakPolarHBondContact O-CG 3.27Å; T310-R314 PolarHBondContact O-N 3.37Å; I311-R314 PolarHBondContact O-N 3.24Å; R314-K316 PolarHBondContact O-N 3.45Å; R314-K317 WeakPolarHBondContact O-CB 3.48Å; R314-K317 PolarHBondContact O-N 2.89Å
315A71.3Confident62.7Low7 Ų784.1 Ų84.16%0.05844%0.439CS..Hα-helixtrans-59.4-29.3179.700000113.8E21 V22 I311 K317 V318 R319E21-A315 HydrophobicContact CB-CB 4.27Å; E21-A315 HydrophobicContact CG-CB 4.3Å; V22-A315 WeakPolarHBondContact O-CB 3.35Å; I311-A315 VanDerWaalsContact O-CB 3.28Å; I311-A315 WeakPolarHBondContact O-CB 3.46Å; I311-A315 PolarHBondContact O-N 2.83Å; A315-K317 PolarHBondContact O-N 3.42Å; A315-V318 PolarHBondContact O-N 3.48Å; A315-R319 PolarHBondContact O-N 2.96Å
316K66Low60.5Low156 Ų15683 Ų8368%0.67844%0.435SS*.Hα-helixtrans-56.6-36.7172-80.3173-169.2179.90112.6S312 R314 V318 R319S312-K316 WeakPolarHBondContact O-CG 3.48Å; S312-K316 PolarHBondContact O-N 3.03Å; R314-K316 PolarHBondContact O-N 3.45Å; K316-V318 PolarHBondContact O-N 2.92Å; K316-R319 PolarHBondContact O-N 3.07Å
317K60.2Low58.6Low184 Ų18481.1 Ų81.180%0.842%0.422SS*.THydrogen-bonded Turntrans-72-10.4176.7-60.1-172.3173.3-167.80114.2R314 A315R314-K317 WeakPolarHBondContact O-CB 3.48Å; R314-K317 PolarHBondContact O-N 2.89Å; A315-K317 PolarHBondContact O-N 3.42Å
318V54.3Low57.1Low53 Ų5374 Ų7432%0.32140%0.395SS..THydrogen-bonded Turntrans-101-11.8-179.3-166.40000111.2V22 A315 K316 R320V22-V318 HydrophobicContact CG1-CG1 3.86Å; A315-V318 PolarHBondContact O-N 3.48Å; K316-V318 PolarHBondContact O-N 2.92Å; V318-R320 PolarHBondContact O-N 3.42Å
319R41.2Very low55.5Low206 Ų20676.4 Ų76.478%0.77740%0.403SS*.  trans-83.489.1178.8-88.7-168167.3-161.4-1.4112.2A315 K316A315-R319 PolarHBondContact O-N 2.96Å; K316-R319 PolarHBondContact O-N 3.07Å
320R40Very low53.8Low110 Ų11079.7 Ų79.742%0.41542%0.415SS..PPolyproline II helixtrans-54.2139159.7-70.5173.8118.5-176.3-5.1111.1V318V318-R320 PolarHBondContact O-N 3.42Å
321V31.2Very low52.2Low95 Ų9577.4 Ų77.458%0.57640%0.401SS*.PPolyproline II helixtrans-73.3128.2164.1-178.60000108.7G323 S324V321-G323 PolarHBondContact O-N 2.84Å; V321-S324 PolarHBondContact O-N 2.75Å; V321-S324 VanDerWaalsContact O-N 3.12Å
322P30.3Very low50.6Low124 Ų12484.3 Ų84.381%0.80543%0.433SS*.THydrogen-bonded Turntrans-59.7120.7174.8-23.434.3000111.1
323G31.8Very low49.1Very low80 Ų8083.5 Ų83.583%0.82542%0.424SS*.THydrogen-bonded Turntrans94.6-3-177.900000115.8V321V321-G323 PolarHBondContact O-N 2.84Å
324S31.6Very low47.3Very low46 Ų4680.5 Ų80.532%0.32242%0.419SS..  trans-74.7123.3168.3150.70000110.3V321V321-S324 PolarHBondContact O-N 2.75Å; V321-S324 VanDerWaalsContact O-N 3.12Å
325S37.9Very low45.6Very low57 Ų5780.7 Ų80.740%0.39943%0.429SS..  trans-61.1139.7145.7172.40000107.5D341S325-D341 PolarHBondContact OG-OD2 2.94Å; S325-D341 VanDerWaalsContact OG-OD2 3.11Å
326G40.9Very low44.6Very low5 Ų584.1 Ų84.15%0.05244%0.44CS..EExtended strand (participates in β ladder)trans-144.4128.7172.500000108.2L328 W338 S339G326-L328 PolarHBondContact O-N 2.86Å; G326-W338 VanDerWaalsContact O-CZ3 3.27Å; G326-W338 WeakPolarHBondContact O-CZ3 3.41Å; G326-S339 CarbonylContact C-O 3.57Å; G326-S339 WeakPolarHBondContact CA-O 3.42Å
327R43Very low43.8Very low107 Ų10780.6 Ų80.640%0.40443%0.426SS..EExtended strand (participates in β ladder)trans-60.7102.1175.5177.1179.8-166.5162.44.6109.5H329 S339 D341 D344 R451R327-H329 PolarHBondContact O-N 2.88Å; R327-S339 WeakPolarHBondContact CB-OG 3.37Å; R327-S339 PolarHBondContact N-O 2.84Å; R327-S339 VanDerWaalsContact N-O 3.11Å; R327-S339 PolarHBondContact O-N 3.01Å; R327-S339 PolarHBondContact O-OG 2.82Å; R327-D341 WeakPolarHBondContact CB-OD1 3.43Å; R327-D341 PolarHBondContact N-OD1 2.69Å; R327-D344 IonicContact CZ-OD2 2.75Å; R327-D344 IonicContact NH1-OD2 3.86Å; R327-D344 PolarHBondContact NH1-OD2 3.45Å; R327-R451 HydrophobicContact CG-CB 4.5Å
328L48.8Very low43.2Very low5 Ų576.2 Ų76.23%0.02641%0.405CS..EExtended strand (participates in β ladder)trans-67.4128.3162.7-168.879.7000107.9G326 W336 E337 W338 R451 L473G326-L328 PolarHBondContact O-N 2.86Å; L328-W336 HydrophobicContact CD1-CB 4.16Å; L328-W336 HydrophobicContact CD2-CB 4.19Å; L328-W336 HydrophobicContact CD2-CD2 3.98Å; L328-W336 HydrophobicContact CD2-CE3 3.54Å; L328-W336 HydrophobicContact CD2-CG 4.3Å; L328-W336 HydrophobicContact CD2-CZ3 4.16Å; L328-W336 HydrophobicContact CG-CB 4.34Å; L328-W336 HydrophobicContact CG-CE3 3.82Å; L328-E337 WeakPolarHBondContact CD1-O 3.42Å; L328-W338 HydrophobicContact CB-CD2 4.2Å; L328-W338 HydrophobicContact CB-CE3 3.73Å; L328-W338 HydrophobicContact CB-CH2 4Å; L328-W338 HydrophobicContact CB-CZ2 4.47Å; L328-W338 HydrophobicContact CB-CZ3 3.62Å; L328-W338 HydrophobicContact CD1-CD2 3.48Å; L328-W338 VanDerWaalsContact CD1-CD2 3.48Å; L328-W338 VanDerWaalsContact CD1-CE2 3.44Å; L328-W338 HydrophobicContact CD1-CE3 3.94Å; L328-W338 HydrophobicContact CD1-CG 3.76Å; L328-W338 HydrophobicContact CD1-CH2 4.24Å; L328-W338 HydrophobicContact CD1-CZ2 3.84Å; L328-W338 HydrophobicContact CD1-CZ3 4.3Å; L328-W338 HydrophobicContact CG-CD2 4.44Å; L328-W338 HydrophobicContact CG-CE3 4.45Å; L328-W338 HydrophobicContact CG-CZ3 4.49Å; L328-R451 VanDerWaalsContact O-O 3.12Å; L328-L473 HydrophobicContact CD2-CD1 3.38Å; L328-L473 HydrophobicContact CD2-CD2 3.94Å; L328-L473 HydrophobicContact CD2-CG 4.26Å
329H49.5Very low43Very low71 Ų7175.3 Ų75.333%0.32940%0.401SS..EExtended strand (participates in β ladder)trans-131.4160.8173.774.190.8000111.2R327 W336 E337R327-H329 PolarHBondContact O-N 2.88Å; H329-W336 WeakPolarHBondContact O-CA 3.45Å; H329-E337 PolarHBondContact N-O 2.8Å; H329-E337 PolarHBondContact O-N 3.24Å
330K47.4Very low43.4Very low84 Ų8468.5 Ų68.537%0.36538%0.38SS..EExtended strand (participates in β ladder)trans-81.8131.4172.4-147.3164.3-171.81680108.4G335 W336 E467K330-G335 CarbonylContact C-O 3.56Å; K330-G335 VanDerWaalsContact CA-O 3.28Å; K330-G335 WeakPolarHBondContact CA-O 3.2Å; K330-G335 WeakPolarHBondContact CG-O 3.43Å; K330-W336 HydrophobicContact CB-CE3 4.33Å; K330-W336 HydrophobicContact CB-CZ3 4.27Å; K330-W336 HydrophobicContact CD-CZ2 4.36Å; K330-E467 IonicContact NZ-OE1 3.48Å; K330-E467 PolarHBondContact NZ-OE1 3.03Å; K330-E467 IonicContact NZ-OE2 3.66Å; K330-E467 PolarHBondContact NZ-OE2 3.14Å
331T52.1Low43.8Very low27 Ų2764.5 Ų64.517%0.16637%0.367CS..  trans-85164.2173.736.10000111.1D333 G334 G335 E337T331-D333 VanDerWaalsContact CB-OD1 3.22Å; T331-D333 WeakPolarHBondContact CB-OD1 3.14Å; T331-D333 PolarHBondContact O-N 2.85Å; T331-D333 VanDerWaalsContact O-N 3.15Å; T331-D333 PolarHBondContact OG1-OD1 2.83Å; T331-G334 PolarHBondContact O-N 2.86Å; T331-G335 PolarHBondContact N-O 3.03Å; T331-G335 WeakPolarHBondContact OG1-CA 3.43Å; T331-G335 PolarHBondContact OG1-N 3.41Å; T331-G335 PolarHBondContact OG1-O 3.32Å; T331-E337 HydrophobicContact CG2-CB 3.96Å; T331-E337 HydrophobicContact CG2-CG 3.75Å
332E45.6Very low44.5Very low166 Ų16665.3 Ų65.378%0.77636%0.364SS*.THydrogen-bonded Turntrans-60.1-25-179.2-62.4-163.4134.700113.5H228 G334H228-E332 PolarHBondContact CD2-O 2.65Å; E332-G334 VanDerWaalsContact C-N 3.26Å; E332-G334 PolarHBondContact O-N 2.8Å
333D46.5Very low45.3Very low48 Ų4863.6 Ų63.626%0.25734%0.344SS..THydrogen-bonded Turntrans-78.3-5174.762.56.1000113.9K105 T331 G335K105-D333 WeakPolarHBondContact CE-OD2 3.42Å; K105-D333 IonicContact NZ-OD2 3.78Å; K105-D333 PolarHBondContact NZ-OD2 3.36Å; T331-D333 VanDerWaalsContact CB-OD1 3.22Å; T331-D333 WeakPolarHBondContact CB-OD1 3.14Å; T331-D333 PolarHBondContact O-N 2.85Å; T331-D333 VanDerWaalsContact O-N 3.15Å; T331-D333 PolarHBondContact OG1-OD1 2.83Å; D333-G335 PolarHBondContact OD1-N 3.03Å
334G43.4Very low46.3Very low35 Ų3561.5 Ų61.536%0.36131%0.314SS..SBendtrans86.51.1-176.300000114.8T331 E332T331-G334 PolarHBondContact O-N 2.86Å; E332-G334 VanDerWaalsContact C-N 3.26Å; E332-G334 PolarHBondContact O-N 2.8Å
335G43.7Very low47.2Very low29 Ų2964.8 Ų64.830%0.29933%0.325SS..  trans-67.8170.8170.900000113.2K330 T331 D333K330-G335 CarbonylContact C-O 3.56Å; K330-G335 VanDerWaalsContact CA-O 3.28Å; K330-G335 WeakPolarHBondContact CA-O 3.2Å; K330-G335 WeakPolarHBondContact CG-O 3.43Å; T331-G335 PolarHBondContact N-O 3.03Å; T331-G335 WeakPolarHBondContact OG1-CA 3.43Å; T331-G335 PolarHBondContact OG1-N 3.41Å; T331-G335 PolarHBondContact OG1-O 3.32Å; D333-G335 PolarHBondContact OD1-N 3.03Å
336W50.5Low47.9Very low78 Ų7870 Ų7030%0.29534%0.343SS..EExtended strand (participates in β ladder)trans-114.7114.5171.1-71.2105.5000108.5L328 H329 K330 E467 A471L328-W336 HydrophobicContact CD1-CB 4.16Å; L328-W336 HydrophobicContact CD2-CB 4.19Å; L328-W336 HydrophobicContact CD2-CD2 3.98Å; L328-W336 HydrophobicContact CD2-CE3 3.54Å; L328-W336 HydrophobicContact CD2-CG 4.3Å; L328-W336 HydrophobicContact CD2-CZ3 4.16Å; L328-W336 HydrophobicContact CG-CB 4.34Å; L328-W336 HydrophobicContact CG-CE3 3.82Å; H329-W336 WeakPolarHBondContact O-CA 3.45Å; K330-W336 HydrophobicContact CB-CE3 4.33Å; K330-W336 HydrophobicContact CB-CZ3 4.27Å; K330-W336 HydrophobicContact CD-CZ2 4.36Å; W336-E467 HydrophobicContact CZ2-CB 4.38Å; W336-A471 HydrophobicContact CG-CB 4.44Å
337E48.9Very low48.6Very low83 Ų8370.9 Ų70.939%0.38835%0.348SS..EExtended strand (participates in β ladder)trans-115.5146.1175.7-67.2-171.9-173.700109.8K105 L328 H329 T331K105-E337 IonicContact NZ-OE1 2.68Å; K105-E337 PolarHBondContact NZ-OE1 2.74Å; L328-E337 WeakPolarHBondContact CD1-O 3.42Å; H329-E337 PolarHBondContact N-O 2.8Å; H329-E337 PolarHBondContact O-N 3.24Å; T331-E337 HydrophobicContact CG2-CB 3.96Å; T331-E337 HydrophobicContact CG2-CG 3.75Å
338W48.1Very low49Very low91 Ų9172.2 Ų72.235%0.34536%0.359SS..EExtended strand (participates in β ladder)trans-87.2118171.8-63.593.1000108G326 L328 L473G326-W338 VanDerWaalsContact O-CZ3 3.27Å; G326-W338 WeakPolarHBondContact O-CZ3 3.41Å; L328-W338 HydrophobicContact CB-CD2 4.2Å; L328-W338 HydrophobicContact CB-CE3 3.73Å; L328-W338 HydrophobicContact CB-CH2 4Å; L328-W338 HydrophobicContact CB-CZ2 4.47Å; L328-W338 HydrophobicContact CB-CZ3 3.62Å; L328-W338 HydrophobicContact CD1-CD2 3.48Å; L328-W338 VanDerWaalsContact CD1-CD2 3.48Å; L328-W338 VanDerWaalsContact CD1-CE2 3.44Å; L328-W338 HydrophobicContact CD1-CE3 3.94Å; L328-W338 HydrophobicContact CD1-CG 3.76Å; L328-W338 HydrophobicContact CD1-CH2 4.24Å; L328-W338 HydrophobicContact CD1-CZ2 3.84Å; L328-W338 HydrophobicContact CD1-CZ3 4.3Å; L328-W338 HydrophobicContact CG-CD2 4.44Å; L328-W338 HydrophobicContact CG-CE3 4.45Å; L328-W338 HydrophobicContact CG-CZ3 4.49Å; W338-L473 HydrophobicContact CH2-CD2 4.04Å; W338-L473 HydrophobicContact CZ2-CD2 3.94Å
339S50Low49.1Very low35 Ų3577.4 Ų77.425%0.24538%0.383CS..EExtended strand (participates in β ladder)trans-87.7132.5160.854.40000109.1G326 R327G326-S339 CarbonylContact C-O 3.57Å; G326-S339 WeakPolarHBondContact CA-O 3.42Å; R327-S339 WeakPolarHBondContact CB-OG 3.37Å; R327-S339 PolarHBondContact N-O 2.84Å; R327-S339 VanDerWaalsContact N-O 3.11Å; R327-S339 PolarHBondContact O-N 3.01Å; R327-S339 PolarHBondContact O-OG 2.82Å
340D50Low49.4Very low62 Ų6274.1 Ų74.133%0.33237%0.368SS..EExtended strand (participates in β ladder)trans-76.8126172.6-63.1-46000109.2E342 F343D340-E342 PolarHBondContact O-N 2.82Å; D340-F343 HydrophobicContact CB-CD2 3.84Å; D340-F343 HydrophobicContact CB-CE2 4.13Å; D340-F343 PolarHBondContact O-N 2.89Å; D340-F343 VanDerWaalsContact O-N 3.07Å
341D48.7Very low50.1Low26 Ų2674.5 Ų74.514%0.13937%0.37CS..G310 helixtrans-64-18.1-168.1-65.3-18.3000113.5S325 R327 F343S325-D341 PolarHBondContact OG-OD2 2.94Å; S325-D341 VanDerWaalsContact OG-OD2 3.11Å; R327-D341 WeakPolarHBondContact CB-OD1 3.43Å; R327-D341 PolarHBondContact N-OD1 2.69Å; D341-F343 PolarHBondContact O-N 2.99Å
342E45.8Very low50.5Low112 Ų11275 Ų7552%0.52338%0.376SS..G310 helixtrans-67.9-11.6173.6-70.3-167.313100114.7D340D340-E342 PolarHBondContact O-N 2.82Å
343F46.9Very low51.1Low88 Ų8867.4 Ų67.439%0.38634%0.342SS..G310 helixtrans-107.40.2-176.8-64.3-91.9000114.5D340 D341 E345 P360D340-F343 HydrophobicContact CB-CD2 3.84Å; D340-F343 HydrophobicContact CB-CE2 4.13Å; D340-F343 PolarHBondContact O-N 2.89Å; D340-F343 VanDerWaalsContact O-N 3.07Å; D341-F343 PolarHBondContact O-N 2.99Å; F343-E345 PolarHBondContact O-N 2.88Å; F343-P360 HydrophobicContact CE1-CB 4.43Å; F343-P360 HydrophobicContact CE1-CG 3.96Å; F343-P360 HydrophobicContact CZ-CG 4.04Å
344D52.6Low51.7Low37 Ų3768.6 Ų68.620%0.19835%0.348CS..  trans-91.596.7177.1-172.7-15.3000110R327 E346 S347 G350R327-D344 IonicContact CZ-OD2 2.75Å; R327-D344 IonicContact NH1-OD2 3.86Å; R327-D344 PolarHBondContact NH1-OD2 3.45Å; D344-E346 PolarHBondContact O-N 2.83Å; D344-E346 VanDerWaalsContact O-N 3.08Å; D344-E346 PolarHBondContact OD1-N 2.71Å; D344-S347 PolarHBondContact O-N 2.71Å; D344-S347 PolarHBondContact O-OG 2.87Å; D344-G350 WeakPolarHBondContact O-CA 3.47Å
345E50.8Low52.6Low114 Ų11471.4 Ų71.453%0.53336%0.362SS..THydrogen-bonded Turntrans-63.2-14.2-174.8-54.6-174.9-175.300113.2F343 I354F343-E345 PolarHBondContact O-N 2.88Å; E345-I354 HydrophobicContact CB-CD1 4.07Å; E345-I354 HydrophobicContact CG-CD1 4.11Å
346E52.1Low53.5Low167 Ų16775 Ų7578%0.7837%0.371SS*.THydrogen-bonded Turntrans-92.9-13.3176.9-60.2-170168.800113.6D344 K351D344-E346 PolarHBondContact O-N 2.83Å; D344-E346 VanDerWaalsContact O-N 3.08Å; D344-E346 PolarHBondContact OD1-N 2.71Å; E346-K351 WeakPolarHBondContact O-CE 3.43Å; E346-K351 PolarHBondContact O-NZ 2.96Å
347S55.9Low53.6Low24 Ų2478 Ų7817%0.16839%0.392CS..SBendtrans-78.2160.1177.774.60000112.8D344 G350 K351D344-S347 PolarHBondContact O-N 2.71Å; D344-S347 PolarHBondContact O-OG 2.87Å; S347-G350 PolarHBondContact O-N 3.35Å; S347-G350 PolarHBondContact OG-N 3.22Å; S347-K351 WeakPolarHBondContact O-CD 3.3Å; S347-K351 WeakPolarHBondContact O-CE 3.28Å; S347-K351 VanDerWaalsContact O-CG 3.24Å; S347-K351 WeakPolarHBondContact O-CG 3.24Å; S347-K351 PolarHBondContact O-N 3.48Å
348E52.7Low53.5Low134 Ų13482.1 Ų82.163%0.62640%0.404SS*.Hα-helixtrans-70-37.9175.8-68.1-60.3110.600111.3K351 A352E348-K351 PolarHBondContact O-N 3.22Å; E348-K351 WeakPolarHBondContact OE1-CD 3.26Å; E348-K351 IonicContact OE1-NZ 2.67Å; E348-K351 PolarHBondContact OE1-NZ 3.45Å; E348-A352 WeakPolarHBondContact O-CB 3.34Å; E348-A352 PolarHBondContact O-N 2.76Å
349E50Low53.2Low114 Ų11478.5 Ų78.553%0.53339%0.393SS..Hα-helixtrans-60.7-41.6170.8-70.281.3179.400112.2A352 A353E349-A352 CarbonylContact O-C 3.6Å; E349-A352 WeakPolarHBondContact O-CB 3.42Å; E349-A352 PolarHBondContact O-N 2.94Å; E349-A353 WeakPolarHBondContact O-CB 3.46Å; E349-A353 PolarHBondContact O-N 3.49Å
350G56.5Low52.9Low2 Ų281.7 Ų81.72%0.02141%0.413CS..Hα-helixtrans-67.4-43.117700000113.2D344 S347 A352 A353 I354D344-G350 WeakPolarHBondContact O-CA 3.47Å; S347-G350 PolarHBondContact O-N 3.35Å; S347-G350 PolarHBondContact OG-N 3.22Å; G350-A352 VanDerWaalsContact C-N 3.27Å; G350-A352 PolarHBondContact O-N 2.91Å; G350-A353 PolarHBondContact O-N 2.85Å; G350-A353 VanDerWaalsContact O-N 3.17Å; G350-I354 VanDerWaalsContact O-CG1 3.3Å; G350-I354 WeakPolarHBondContact O-CG1 3.44Å; G350-I354 PolarHBondContact O-N 3.34Å
351K60.9Low52.3Low93 Ų9386.8 Ų86.840%0.40443%0.427SS..Hα-helixtrans-60.4-37.3170.8-68.4161.4-150.8160.30111.6E346 S347 E348 S355E346-K351 WeakPolarHBondContact O-CE 3.43Å; E346-K351 PolarHBondContact O-NZ 2.96Å; S347-K351 WeakPolarHBondContact O-CD 3.3Å; S347-K351 WeakPolarHBondContact O-CE 3.28Å; S347-K351 VanDerWaalsContact O-CG 3.24Å; S347-K351 WeakPolarHBondContact O-CG 3.24Å; S347-K351 PolarHBondContact O-N 3.48Å; E348-K351 PolarHBondContact O-N 3.22Å; E348-K351 WeakPolarHBondContact OE1-CD 3.26Å; E348-K351 IonicContact OE1-NZ 2.67Å; E348-K351 PolarHBondContact OE1-NZ 3.45Å; K351-S355 WeakPolarHBondContact O-CB 3.31Å; K351-S355 PolarHBondContact O-N 3.38Å; K351-S355 PolarHBondContact O-OG 3.35Å
352A61.5Low51.9Low36 Ų3689.2 Ų89.230%0.29844%0.443SS..Hα-helixtrans-67.2-42.517300000112E348 E349 G350 I354 S355 Q356E348-A352 WeakPolarHBondContact O-CB 3.34Å; E348-A352 PolarHBondContact O-N 2.76Å; E349-A352 CarbonylContact O-C 3.6Å; E349-A352 WeakPolarHBondContact O-CB 3.42Å; E349-A352 PolarHBondContact O-N 2.94Å; G350-A352 VanDerWaalsContact C-N 3.27Å; G350-A352 PolarHBondContact O-N 2.91Å; A352-I354 PolarHBondContact O-N 2.82Å; A352-S355 WeakPolarHBondContact CA-OG 3.32Å; A352-S355 PolarHBondContact O-N 3.42Å; A352-S355 PolarHBondContact O-OG 3.46Å; A352-Q356 VanDerWaalsContact O-CB 3.29Å; A352-Q356 WeakPolarHBondContact O-CB 3.31Å; A352-Q356 VanDerWaalsContact O-CG 3.25Å; A352-Q356 WeakPolarHBondContact O-CG 3.36Å; A352-Q356 PolarHBondContact O-N 2.99Å
353A56.6Low51.5Low7 Ų793 Ų936%0.05846%0.458CS..Hα-helixtrans-65.7-35.6176.800000112.9E349 G350 L357 R358 S359E349-A353 WeakPolarHBondContact O-CB 3.46Å; E349-A353 PolarHBondContact O-N 3.49Å; G350-A353 PolarHBondContact O-N 2.85Å; G350-A353 VanDerWaalsContact O-N 3.17Å; A353-L357 PolarHBondContact O-N 2.82Å; A353-R358 PolarHBondContact O-N 3.21Å; A353-S359 PolarHBondContact O-N 3.2Å
354I59.2Low50.7Low74 Ų7497.1 Ų97.138%0.37948%0.478SS..Hα-helixtrans-67.2-51.4172.7-68.9164.3000110.4E345 G350 A352 Q356 L357E345-I354 HydrophobicContact CB-CD1 4.07Å; E345-I354 HydrophobicContact CG-CD1 4.11Å; G350-I354 VanDerWaalsContact O-CG1 3.3Å; G350-I354 WeakPolarHBondContact O-CG1 3.44Å; G350-I354 PolarHBondContact O-N 3.34Å; A352-I354 PolarHBondContact O-N 2.82Å; I354-Q356 PolarHBondContact O-N 2.8Å; I354-L357 PolarHBondContact O-N 3.15Å; I354-L357 VanDerWaalsContact O-N 3.09Å
355S64Low49.7Very low93 Ų93100.9 Ų100.965%0.6551%0.507SS*.Hα-helixtrans-67.3-21.8-179.557.60000114.1K351 A352K351-S355 WeakPolarHBondContact O-CB 3.31Å; K351-S355 PolarHBondContact O-N 3.38Å; K351-S355 PolarHBondContact O-OG 3.35Å; A352-S355 WeakPolarHBondContact CA-OG 3.32Å; A352-S355 PolarHBondContact O-N 3.42Å; A352-S355 PolarHBondContact O-OG 3.46Å
356Q62.7Low48.8Very low106 Ų106101.9 Ų101.950%0.49552%0.515SS..THydrogen-bonded Turntrans-92.55.7173.1-66.9178.536.300114.3A352 I354 R358A352-Q356 VanDerWaalsContact O-CB 3.29Å; A352-Q356 WeakPolarHBondContact O-CB 3.31Å; A352-Q356 VanDerWaalsContact O-CG 3.25Å; A352-Q356 WeakPolarHBondContact O-CG 3.36Å; A352-Q356 PolarHBondContact O-N 2.99Å; I354-Q356 PolarHBondContact O-N 2.8Å; Q356-R358 HydrophobicContact CB-CG 4.13Å; Q356-R358 PolarHBondContact O-N 3.16Å
357L52.3Low47.8Very low141 Ų14199.3 Ų99.374%0.73852%0.515SS*.THydrogen-bonded Turntrans55.530.4-176.8-77.3130.7000114.2A353 I354 V362A353-L357 PolarHBondContact O-N 2.82Å; I354-L357 PolarHBondContact O-N 3.15Å; I354-L357 VanDerWaalsContact O-N 3.09Å; L357-V362 HydrophobicContact CD2-CG1 4.23Å
358R45.9Very low46.6Very low168 Ų168105 Ų10563%0.63454%0.544SS*.  trans-94.1-19.2179.8-69.5-177.5178.4-176.91.7114.1A353 Q356 P360A353-R358 PolarHBondContact O-N 3.21Å; Q356-R358 HydrophobicContact CB-CG 4.13Å; Q356-R358 PolarHBondContact O-N 3.16Å; R358-P360 WeakPolarHBondContact O-CD 3.22Å
359S42.8Very low45.8Very low15 Ų15104 Ų10411%0.10555%0.551CS.*  trans-64123.4178.8175.80000112.1A353 R361 V362A353-S359 PolarHBondContact O-N 3.2Å; S359-R361 PolarHBondContact O-N 3Å; S359-R361 PolarHBondContact OG-N 2.85Å; S359-V362 PolarHBondContact O-N 3.34Å
360P43.9Very low44.9Very low102 Ų102107.1 Ų107.166%0.66257%0.566SS**THydrogen-bonded Turntrans-65.34.5177.1-23.135.1000115.7F343 R358F343-P360 HydrophobicContact CE1-CB 4.43Å; F343-P360 HydrophobicContact CE1-CG 3.96Å; F343-P360 HydrophobicContact CZ-CG 4.04Å; R358-P360 WeakPolarHBondContact O-CD 3.22Å
361R37.2Very low43.9Very low169 Ų169115.3 Ų115.364%0.63861%0.609SS**THydrogen-bonded Turntrans-106.1-1.6179.2-77.6-175.4174.8166.21.7114.8S359 K363S359-R361 PolarHBondContact O-N 3Å; S359-R361 PolarHBondContact OG-N 2.85Å; R361-K363 VanDerWaalsContact C-N 3.34Å; R361-K363 PolarHBondContact O-N 3.39Å
362V39.1Very low42.7Very low77 Ų77120 Ų12047%0.46763%0.63SS.*  trans-65.794.2172.3-177.30000109.3L357 S359 E364L357-V362 HydrophobicContact CD2-CG1 4.23Å; S359-V362 PolarHBondContact O-N 3.34Å; V362-E364 PolarHBondContact O-N 2.9Å
363K37.4Very low41.5Very low193 Ų193123.5 Ų123.584%0.83965%0.649SS**  trans-66.6124.8168.8-72.2179.7177.4175.90108.5R361 S365R361-K363 VanDerWaalsContact C-N 3.34Å; R361-K363 PolarHBondContact O-N 3.39Å; K363-S365 PolarHBondContact O-N 2.77Å
364E30.4Very low40.4Very low174 Ų174129 Ų12981%0.81368%0.682SS**  trans-57.8112.2166.6-65.7-177133.300109.3V362 I366V362-E364 PolarHBondContact O-N 2.9Å; E364-I366 VanDerWaalsContact C-N 3.29Å; E364-I366 PolarHBondContact O-N 2.89Å
365S31.7Very low39.3Very low116 Ų116131.1 Ų131.181%0.81170%0.698SS**  trans-77.181.6176.148.70000109.7K363 S367K363-S365 PolarHBondContact O-N 2.77Å; S365-S367 PolarHBondContact O-N 3.37Å
366I32Very low38Very low134 Ų134133.7 Ų133.769%0.68771%0.705SS**  trans-60.597.1175.8-59.7177.7000109.4E364 N368E364-I366 VanDerWaalsContact C-N 3.29Å; E364-I366 PolarHBondContact O-N 2.89Å; I366-N368 PolarHBondContact O-N 2.62Å; I366-N368 VanDerWaalsContact O-N 3.14Å
367S32.1Very low36.7Very low113 Ų113134 Ų13479%0.7972%0.716SS**  trans-82.483.6-176.5175.70000111.6S365 S369S365-S367 PolarHBondContact O-N 3.37Å; S367-S369 PolarHBondContact O-N 3.22Å
368N29Very low36.1Very low143 Ų143134.1 Ų134.177%0.76572%0.722SS**  trans-80.197.9171.1-81.2-9.7000111.5I366I366-N368 PolarHBondContact O-N 2.62Å; I366-N368 VanDerWaalsContact O-N 3.14Å
369S36.2Very low35.5Very low113 Ų113129.3 Ų129.379%0.7973%0.725SS**  trans-159.9101.7155-79.40000111.6S367S367-S369 PolarHBondContact O-N 3.22Å
370E31.8Very low35.1Very low180 Ų180134.5 Ų134.584%0.84176%0.757SS**  trans6.6120.6156.2-52.6-177.414400120.1
371L34.7Very low34.4Very low175 Ų175136.6 Ų136.692%0.91676%0.761SS**  -168.5158.5115.3-100.5155.5000111.4
372F37.1Very low34.1Very low192 Ų192135.5 Ų135.584%0.84277%0.768SS**  trans-96.1166.1-160.5-86.1-93.1000115.3
373P35.4Very low33.8Very low108 Ų108140 Ų14070%0.70178%0.784SS**  trans-121.1-178.4-147.745.2-37.9000116.2
374T33.8Very low33.6Very low124 Ų124137.1 Ų137.176%0.76178%0.781SS**  trans-157.1130.3149.444.10000113.2
375T36.2Very low33.9Very low117 Ų117133.8 Ų133.872%0.71878%0.775SS**  trans49144.2142.764.80000122
376D36Very low34Very low148 Ų148135.6 Ų135.679%0.79177%0.771SS**  cis-167.2162.9-18.7-102.9-39000109.7
377P36.7Very low34.1Very low112 Ų112136.5 Ų136.573%0.72777%0.772SS**  trans-119.9148.8-163.840.2-29.7000118.4
378V38.1Very low34.3Very low143 Ų143137.9 Ų137.987%0.86777%0.769SS**  trans-149.1125161.1-178.40000106.8
379G33.5Very low34.5Very low68 Ų68136.5 Ų136.570%0.70177%0.771SS**  84.6148.283.400000112.5
380T33.9Very low34.3Very low124 Ų124135.1 Ų135.176%0.76177%0.766SS**  cis-167.6130.54.8-790000111.2
381L30.9Very low34.5Very low145 Ų145135.9 Ų135.976%0.75977%0.769SS**  trans36.8144.2153-81.6107.8000125.4
382L30.3Very low34.5Very low147 Ų147134.1 Ų134.177%0.7776%0.76SS**  trans73.4154.7153.5-63.8159.9000117
383Q32.6Very low34.5Very low172 Ų172131 Ų13180%0.80476%0.759SS**  cis-157172.223.3-147.9159.615.700113.5
384V33Very low34.4Very low131 Ų131134 Ų13479%0.79476%0.764SS**  trans-137.9146.1174.9-167.80000104.5
385P37Very low35Very low104 Ų104133.3 Ų133.368%0.67576%0.761SS**  -160-175.153.842.7-18000120.7
386E34.2Very low35.1Very low155 Ų155132.8 Ų132.872%0.72477%0.769SS**  trans83.3139.4136.1-98.1177.7-136.600126.3
387Q34Very low35Very low152 Ų152129.2 Ų129.271%0.7177%0.767SS**  111.1143.4127.2-99.3-173.860.300124.1
388I36Very low35Very low142 Ų142133.4 Ų133.473%0.72878%0.777SS**  trans87.888.1156.9-59.5148.3000121.1
389S32.2Very low34.9Very low115 Ų115135 Ų13580%0.80478%0.777SS**  38.4131.6117.8-95.90000126.3
390A33.1Very low35.5Very low84 Ų84136.3 Ų136.369%0.69477%0.773SS**  76.7123.2124.200000123.4
391H36.4Very low35.8Very low196 Ų196136.4 Ų136.491%0.90777%0.774SS**  -165.7164.6116.9-110.9-73.8000113
392L34.9Very low36.2Very low138 Ų138138.3 Ų138.372%0.72378%0.779SS**  trans-150.7150-176.5-132.5171000109.4
393P36.4Very low36.8Very low125 Ų125136.7 Ų136.781%0.81278%0.777SS**  -148.9-179.8128.836.4-18.1000116.7
394Q33.1Very low36.9Very low172 Ų172134.9 Ų134.980%0.80478%0.778SS**  trans-154.6-174.7-174.7-110.7-165.624.200108.2
395P46.7Very low36.9Very low110 Ų110136.6 Ų136.671%0.71478%0.777SS**  cis-138.7-147.3-35.840.5-20.5000112.8
396A37.4Very low36.6Very low106 Ų106137.5 Ų137.588%0.87678%0.781SS**  trans91.2140.7172.100000117
397G35.1Very low36.5Very low73 Ų73135.6 Ų135.675%0.75378%0.784SS**  cis-170.2-170-2.500000109.6
398Q36.6Very low36.7Very low199 Ų199136.4 Ų136.493%0.9379%0.793SS**  cis-147.1-128.91.3-65.4-171.6-21.300111.8
399M34.6Very low36.8Very low176 Ų176135.3 Ų135.387%0.86780%0.795SS**  trans-168.6-176.1-170.6-116.9-160.5-61.100110.9
400P46.6Very low37.1Very low96 Ų96135.6 Ų135.662%0.62379%0.794SS**  cis-140-152.9-23.435.1-11.1000114.6
401T39.7Very low37.2Very low126 Ų126138.2 Ų138.277%0.77380%0.802SS**  trans87.3148.9163.674.20000119
402Q39.6Very low37.1Very low185 Ų185133.9 Ų133.986%0.86480%0.799SS**  cis-156.7171-19.7-112.9-165.8-10.200110.7
403P42.9Very low37.1Very low114 Ų114136.5 Ų136.574%0.7481%0.808SS**  trans-119.3163.1-163.742.6-34.8000118.9
404T36Very low37Very low133 Ų133136.3 Ų136.382%0.81681%0.807SS**  trans-169.7168.316429.50000109.5
405Q31.8Very low37.1Very low168 Ų168133 Ų13379%0.78581%0.808SS**  cis-163.4139.6-48.6-119.5-167.2-18.200109.1
406V31.6Very low36.3Very low123 Ų123137.6 Ų137.675%0.74582%0.817SS**  trans44.2121.1148.5-176.10000121.3
407S32.6Very low36.1Very low115 Ų115139 Ų13980%0.80482%0.815SS**  -176.2147.4119.635.30000115.2
408L37.2Very low35.9Very low169 Ų169139.7 Ų139.789%0.88581%0.814SS**  trans-136.2145166.5-81.9165.7000106.3
409P38.1Very low35.5Very low119 Ų119139.7 Ų139.777%0.77381%0.814SS**  -155.8-160.7107.137.9-15.7000112.9
410P38.9Very low35.3Very low121 Ų121136 Ų13679%0.78681%0.812SS**  -126.9-170.6-67.239.9-24.6000113.4
411T34.7Very low34.6Very low139 Ų139140.4 Ų140.485%0.85383%0.829SS**  trans-68.6156.7179.748.20000116.5
412A35.4Very low34.1Very low104 Ų104139.9 Ų139.986%0.8683%0.83SS**  trans-136.3158.2160.600000111.3
413E33.5Very low33.6Very low193 Ų193137.2 Ų137.290%0.90283%0.832SS**  trans-98.9166.6-163.8-93.7-166.6130.700116.2
414P36Very low32.9Very low121 Ų121135.3 Ų135.379%0.78683%0.833SS**  trans-89.4153.1-168.835.3-36.7000115.4
415A34.1Very low32.5Very low102 Ų102135.1 Ų135.184%0.84384%0.837SS**  trans-111.4149174.200000112.8
416K29.9Very low32.3Very low207 Ų207130.4 Ų130.490%0.983%0.834SS**  trans-110123.9-177.6-63173.4-179.2172.30112.3
417T33.8Very low32.2Very low136 Ų136129.8 Ų129.883%0.83484%0.835SS**  trans-149.497.8161.5-39.70000107.4
418A29.7Very low32.4Very low87 Ų87133.4 Ų133.472%0.71984%0.839SS**  76.1104.977.300000114.5
419Q29.4Very low32.3Very low199 Ų199133.3 Ų133.393%0.9383%0.834SS**  trans35.6115150.8-65.9177-23.900120.8
420A30.5Very low32.4Very low100 Ų100134 Ų13483%0.82684%0.836SS**  trans-147.8133.5132.900000109.9
421L30.4Very low33.6Very low187 Ų187134.7 Ų134.798%0.97983%0.827SS**  trans-92.4124.8165.7-83.1139.1000108.2
422S30.4Very low35.7Very low115 Ų115134.9 Ų134.980%0.80482%0.821SS**  trans-136.3124.3164.654.80000110.3G424S422-G424 PolarHBondContact O-N 3.15Å
423S28.3Very low38Very low130 Ų130132.7 Ų132.791%0.90980%0.798SS**  trans-76.2102.8177.650.80000110.2
424G28.3Very low40.6Very low73 Ų73124.5 Ų124.575%0.75376%0.76SS**  trans-107111.1174.700000111.8S422 G426S422-G424 PolarHBondContact O-N 3.15Å; G424-G426 VanDerWaalsContact C-N 3.31Å; G424-G426 PolarHBondContact O-N 2.9Å
425S27.9Very low43.1Very low130 Ų130121.2 Ų121.291%0.90974%0.74SS**  trans-76.280.1172.355.30000110.6
426G27.3Very low45.8Very low69 Ų69116.5 Ų116.571%0.71170%0.701SS**  trans-84.2124.6177.200000112.6G424G424-G426 VanDerWaalsContact C-N 3.31Å; G424-G426 PolarHBondContact O-N 2.9Å
427S29.3Very low48.6Very low110 Ų110107 Ų10777%0.76966%0.66SS**  trans-64.3130167.345.40000110.6E429S427-E429 PolarHBondContact O-N 3.39Å
428Q37Very low51.3Low190 Ų190100.6 Ų100.689%0.88862%0.621SS**  trans-72.992.6172.5-74.4-173.5-21.700110.3T430Q428-T430 PolarHBondContact O-N 3.5Å; Q428-T430 VanDerWaalsContact O-N 3.15Å
429E36.2Very low54.2Low168 Ų168101.1 Ų101.179%0.78560%0.604SS**  trans-63.8110.3161-70.5-171141.400108.9S427 K431S427-E429 PolarHBondContact O-N 3.39Å; E429-K431 PolarHBondContact O-N 3.19Å
430T39.7Very low57.2Low132 Ų13292.1 Ų92.181%0.8156%0.562SS**  trans-70.593.9174.649.50000109.4Q428 I432Q428-T430 PolarHBondContact O-N 3.5Å; Q428-T430 VanDerWaalsContact O-N 3.15Å; T430-I432 PolarHBondContact O-N 2.93Å
431K64.4Low59.8Low136 Ų13691.1 Ų91.159%0.59154%0.537SS*.PPolyproline II helixtrans-59.6134.4175.1-72.2-173.5172.6-173.40110.4E429 P456E429-K431 PolarHBondContact O-N 3.19Å; K431-P456 HydrophobicContact CB-CB 3.98Å; K431-P456 HydrophobicContact CB-CG 4.14Å; K431-P456 HydrophobicContact CD-CB 3.82Å
432I79Confident62Low144 Ų14484.1 Ų84.174%0.73850%0.501SS*.PPolyproline II helixtrans-63.5137.9-177.2-54173.8000109.2T430 P456T430-I432 PolarHBondContact O-N 2.93Å; I432-P456 WeakPolarHBondContact O-CD 3.49Å
433P83.7Confident63.9Low57 Ų5784.1 Ų84.137%0.3750%0.501SS..PPolyproline II helixtrans-57.8139.3171.7-23.834.3000112.3E453P433-E453 HydrophobicContact CB-CB 4.37Å
434I87.7Confident66Low22 Ų2285.2 Ų85.211%0.11349%0.489CS..EExtended strand (participates in β ladder)trans-97.8114.5175.8-52.7174.9000107.4L436 E453 F454 P456 V490 P493 I526I434-L436 HydrophobicContact CG2-CD2 4.05Å; I434-L436 HydrophobicContact CG2-CG 4.07Å; I434-E453 CarbonylContact O-C 3.6Å; I434-E453 WeakPolarHBondContact O-CA 3.31Å; I434-F454 PolarHBondContact N-O 3.46Å; I434-F454 PolarHBondContact O-N 3.28Å; I434-P456 HydrophobicContact CD1-CG 3.97Å; I434-P456 HydrophobicContact CG1-CG 4.24Å; I434-V490 HydrophobicContact CD1-CB 4.18Å; I434-V490 HydrophobicContact CD1-CG1 4.2Å; I434-P493 HydrophobicContact CD1-CB 4.46Å; I434-P493 HydrophobicContact CD1-CG 4.47Å; I434-I526 HydrophobicContact CG2-CD1 4.29Å; I434-I526 HydrophobicContact CG2-CG1 4.15Å; I434-I526 HydrophobicContact CG2-CG2 4.17Å
435S88.8Confident68.4Low52 Ų5286.7 Ų86.736%0.36448%0.475SS..EExtended strand (participates in β ladder)trans-73.4128.3171.2-73.60000110.2I526 S527S435-I526 WeakPolarHBondContact O-CA 3.3Å; S435-S527 PolarHBondContact O-N 3.4Å
436L90Very high70.8Confident2 Ų284.2 Ų84.21%0.0145%0.449CS..EExtended strand (participates in β ladder)trans-130.8152.6-173.1-68.3163.2000111.3I434 R451 F452 F454 L486 I489 V490 L524 S525 I526I434-L436 HydrophobicContact CG2-CD2 4.05Å; I434-L436 HydrophobicContact CG2-CG 4.07Å; L436-R451 CarbonylContact O-C 3.55Å; L436-R451 VanDerWaalsContact O-CA 3.3Å; L436-R451 WeakPolarHBondContact O-CA 3.35Å; L436-F452 HydrophobicContact CB-CD1 4.43Å; L436-F452 HydrophobicContact CB-CD2 4.18Å; L436-F452 HydrophobicContact CB-CE1 4.13Å; L436-F452 HydrophobicContact CB-CE2 3.86Å; L436-F452 HydrophobicContact CB-CG 4.47Å; L436-F452 HydrophobicContact CB-CZ 3.85Å; L436-F452 HydrophobicContact CD1-CD2 4.16Å; L436-F452 HydrophobicContact CD1-CE2 3.48Å; L436-F452 VanDerWaalsContact CD1-CE2 3.48Å; L436-F452 HydrophobicContact CD1-CZ 3.99Å; L436-F452 HydrophobicContact CG-CE2 4.33Å; L436-F452 PolarHBondContact N-O 2.81Å; L436-F452 PolarHBondContact O-N 2.92Å; L436-F454 HydrophobicContact CD1-CB 3.64Å; L436-L486 HydrophobicContact CD1-CD1 3.46Å; L436-L486 VanDerWaalsContact CD1-CD1 3.46Å; L436-I489 HydrophobicContact CD2-CG2 3.72Å; L436-V490 HydrophobicContact CD1-CG1 4.33Å; L436-L524 HydrophobicContact CB-CD1 4.47Å; L436-S525 CarbonylContact C-O 3.56Å; L436-S525 VanDerWaalsContact CA-O 3.28Å; L436-S525 WeakPolarHBondContact CA-O 3.41Å; L436-I526 HydrophobicContact CD2-CG1 3.88Å
437V89.7Confident73.4Confident8 Ų885 Ų855%0.04844%0.436CS..EExtended strand (participates in β ladder)trans-130.5118.7174.5-166.50000109.1D449 I450 R451 L524 S525V437-D449 HydrophobicContact CG1-CB 3.9Å; V437-I450 CarbonylContact C-O 3.59Å; V437-I450 WeakPolarHBondContact CA-O 3.26Å; V437-R451 HydrophobicContact CG1-CG 4.19Å; V437-R451 HydrophobicContact CG2-CG 4.15Å; V437-L524 CarbonylContact O-C 3.49Å; V437-L524 WeakPolarHBondContact O-CA 3.22Å; V437-S525 PolarHBondContact N-O 2.88Å; V437-S525 PolarHBondContact O-N 3.42Å
438L90.6Very high75.6Confident1 Ų181.5 Ų81.51%0.00541%0.409CS..EExtended strand (participates in β ladder)trans-99.7105.8168.3179.164.8000109.1I450 F452 L468 V474 V482 F501 A522 Q523 L524L438-I450 HydrophobicContact CB-CB 4.36Å; L438-I450 HydrophobicContact CD2-CD1 4.21Å; L438-I450 HydrophobicContact CG-CD1 4.48Å; L438-I450 PolarHBondContact N-O 2.9Å; L438-I450 PolarHBondContact O-N 2.79Å; L438-F452 HydrophobicContact CB-CE1 3.99Å; L438-L468 HydrophobicContact CD2-CD1 3.98Å; L438-V474 HydrophobicContact CD2-CG2 3.69Å; L438-V482 HydrophobicContact CD2-CG1 4.19Å; L438-F501 HydrophobicContact CD1-CE1 4.27Å; L438-F501 HydrophobicContact CD1-CZ 3.86Å; L438-A522 HydrophobicContact CD1-CB 3.95Å; L438-Q523 CarbonylContact C-O 3.46Å; L438-Q523 WeakPolarHBondContact CA-O 3.4Å; L438-L524 HydrophobicContact CB-CD1 3.82Å; L438-L524 HydrophobicContact CD1-CB 4.19Å; L438-L524 HydrophobicContact CD1-CD1 4.2Å
439R90.9Very high77.8Confident99 Ų9973.5 Ų73.537%0.37437%0.372SS..EExtended strand (participates in β ladder)trans-94.7122.6175.4178.8175.7-73.9171-2.1110.4L447 N448 D449 L518 A522 Q523R439-L447 HydrophobicContact CG-CD2 4.27Å; R439-N448 WeakPolarHBondContact CA-O 3.46Å; R439-D449 WeakPolarHBondContact CB-OD1 3.39Å; R439-D449 VanDerWaalsContact CG-OD1 3.24Å; R439-D449 WeakPolarHBondContact CG-OD1 3.5Å; R439-D449 IonicContact CZ-OD1 2.7Å; R439-D449 IonicContact CZ-OD2 2.77Å; R439-D449 IonicContact NE-OD1 3.39Å; R439-D449 PolarHBondContact NE-OD1 2.9Å; R439-D449 IonicContact NE-OD2 3.43Å; R439-D449 PolarHBondContact NE-OD2 3.07Å; R439-D449 IonicContact NH2-OD1 3.27Å; R439-D449 PolarHBondContact NH2-OD1 2.75Å; R439-D449 IonicContact NH2-OD2 2.72Å; R439-D449 PolarHBondContact NH2-OD2 2.84Å; R439-L518 HydrophobicContact CB-CD1 4.27Å; R439-L518 HydrophobicContact CG-CD1 3.58Å; R439-A522 CarbonylContact O-C 3.56Å; R439-A522 VanDerWaalsContact O-CA 3.31Å; R439-A522 WeakPolarHBondContact O-CA 3.29Å; R439-Q523 HydrophobicContact CB-CB 4.5Å; R439-Q523 PolarHBondContact N-O 3.17Å; R439-Q523 PolarHBondContact O-N 3.05Å
440L90.5Very high80Confident10 Ų1065.6 Ų65.65%0.05234%0.335CS..EExtended strand (participates in β ladder)trans-151.5167.1176.579.7177000111.7N448 I450 V474 A522L440-N448 PolarHBondContact N-O 3.36Å; L440-N448 VanDerWaalsContact N-O 3.07Å; L440-N448 PolarHBondContact O-N 3.15Å; L440-I450 HydrophobicContact CD2-CD1 3.57Å; L440-I450 HydrophobicContact CD2-CG1 4.32Å; L440-V474 HydrophobicContact CD1-CG2 4.32Å; L440-A522 HydrophobicContact CB-CB 3.71Å
441R85.2Confident81.9Confident79 Ų7963.2 Ų63.230%0.29831%0.312SS..EExtended strand (participates in β ladder)trans-86.1140171.7-72.5-176.2-172.6-90.7-4.4112K445 E446 L447 K517 L518R441-K445 PolarHBondContact NH1-O 3.31Å; R441-E446 CarbonylContact C-O 3.56Å; R441-E446 VanDerWaalsContact CA-O 3.26Å; R441-E446 WeakPolarHBondContact CA-O 3.34Å; R441-L447 HydrophobicContact CG-CD2 3.7Å; R441-L447 HydrophobicContact CG-CG 4.08Å; R441-K517 VanDerWaalsContact CZ-O 3.24Å; R441-K517 PolarHBondContact NE-O 3.37Å; R441-K517 PolarHBondContact NH2-O 2.99Å; R441-L518 VanDerWaalsContact CD-O 3.29Å; R441-L518 WeakPolarHBondContact CD-O 3.43Å; R441-L518 WeakPolarHBondContact CG-O 3.26Å; R441-L518 PolarHBondContact NE-O 2.68Å
442N76.5Confident82.8Confident39 Ų3957.8 Ų57.821%0.20929%0.288CS..  trans-87.9176.8172.376.429.8000111.6K444 K445 E446 N448N442-K444 PolarHBondContact O-N 3.29Å; N442-K444 VanDerWaalsContact O-N 3.15Å; N442-K444 WeakPolarHBondContact OD1-CA 3.37Å; N442-K444 WeakPolarHBondContact OD1-CB 3.33Å; N442-K444 PolarHBondContact OD1-N 2.94Å; N442-K445 WeakPolarHBondContact O-CA 3.29Å; N442-K445 PolarHBondContact O-N 2.93Å; N442-K445 PolarHBondContact OD1-N 3.36Å; N442-E446 PolarHBondContact N-O 3.24Å; N442-E446 PolarHBondContact ND2-OE2 2.85Å; N442-E446 PolarHBondContact OD1-N 3.06Å; N442-N448 PolarHBondContact ND2-OD1 2.97Å
443S71Confident83.1Confident115 Ų11556.6 Ų56.680%0.80428%0.279SS*.THydrogen-bonded Turntrans-66.1-12.6-177.855.20000115.3K445S443-K445 VanDerWaalsContact C-N 3.3Å
444K73.6Confident83.3Confident153 Ų15354.2 Ų54.267%0.66526%0.263SS*.THydrogen-bonded Turntrans-89.24.9168.2-56.6176.7-177.4171.90113N442 E446N442-K444 PolarHBondContact O-N 3.29Å; N442-K444 VanDerWaalsContact O-N 3.15Å; N442-K444 WeakPolarHBondContact OD1-CA 3.37Å; N442-K444 WeakPolarHBondContact OD1-CB 3.33Å; N442-K444 PolarHBondContact OD1-N 2.94Å; K444-E446 HydrophobicContact CB-CG 3.97Å; K444-E446 WeakPolarHBondContact CD-OE1 3.48Å; K444-E446 WeakPolarHBondContact CD-OE2 3.32Å; K444-E446 IonicContact NZ-OE1 3.56Å; K444-E446 PolarHBondContact O-N 2.92Å
445K77.6Confident83.2Confident104 Ų10454.4 Ų54.445%0.45227%0.265SS..SBendtrans66.89.2-173.4-47.4-176.3179.1-171.10114.7R441 N442 S443 D511R441-K445 PolarHBondContact NH1-O 3.31Å; N442-K445 WeakPolarHBondContact O-CA 3.29Å; N442-K445 PolarHBondContact O-N 2.93Å; N442-K445 PolarHBondContact OD1-N 3.36Å; S443-K445 VanDerWaalsContact C-N 3.3Å; K445-D511 WeakPolarHBondContact CD-OD2 3.32Å; K445-D511 VanDerWaalsContact CE-OD2 3.27Å; K445-D511 WeakPolarHBondContact CE-OD2 3.38Å; K445-D511 IonicContact NZ-OD1 2.71Å; K445-D511 PolarHBondContact NZ-OD1 3.48Å; K445-D511 IonicContact NZ-OD2 2.71Å; K445-D511 PolarHBondContact NZ-OD2 2.83Å
446E78.5Confident82.9Confident79 Ų7953.3 Ų53.337%0.36926%0.257SS..  trans-72.2145.5173.3-51.6157.8156.600109.5R441 N442 K444R441-E446 CarbonylContact C-O 3.56Å; R441-E446 VanDerWaalsContact CA-O 3.26Å; R441-E446 WeakPolarHBondContact CA-O 3.34Å; N442-E446 PolarHBondContact N-O 3.24Å; N442-E446 PolarHBondContact ND2-OE2 2.85Å; N442-E446 PolarHBondContact OD1-N 3.06Å; K444-E446 HydrophobicContact CB-CG 3.97Å; K444-E446 WeakPolarHBondContact CD-OE1 3.48Å; K444-E446 WeakPolarHBondContact CD-OE2 3.32Å; K444-E446 IonicContact NZ-OE1 3.56Å; K444-E446 PolarHBondContact O-N 2.92Å
447L82.2Confident82.2Confident85 Ų8557.3 Ų57.345%0.44530%0.299SS..EExtended strand (participates in β ladder)trans-81.5127.1172.6-80163.9000109.9R439 R441 L518R439-L447 HydrophobicContact CG-CD2 4.27Å; R441-L447 HydrophobicContact CG-CD2 3.7Å; R441-L447 HydrophobicContact CG-CG 4.08Å; L447-L518 HydrophobicContact CD2-CB 4.11Å; L447-L518 HydrophobicContact CD2-CD1 4.2Å
448N75.4Confident81.6Confident37 Ų3763.7 Ų63.720%0.19832%0.322CS..EExtended strand (participates in β ladder)trans-114.2138174-71.62.9000109.9R439 L440 N442R439-N448 WeakPolarHBondContact CA-O 3.46Å; L440-N448 PolarHBondContact N-O 3.36Å; L440-N448 VanDerWaalsContact N-O 3.07Å; L440-N448 PolarHBondContact O-N 3.15Å; N442-N448 PolarHBondContact ND2-OD1 2.97Å
449D83.4Confident81.3Confident22 Ų2265.3 Ų65.312%0.11833%0.33CS..EExtended strand (participates in β ladder)trans-102.8119.1166.2-77.111.6000109.6V437 R439V437-D449 HydrophobicContact CG1-CB 3.9Å; R439-D449 WeakPolarHBondContact CB-OD1 3.39Å; R439-D449 VanDerWaalsContact CG-OD1 3.24Å; R439-D449 WeakPolarHBondContact CG-OD1 3.5Å; R439-D449 IonicContact CZ-OD1 2.7Å; R439-D449 IonicContact CZ-OD2 2.77Å; R439-D449 IonicContact NE-OD1 3.39Å; R439-D449 PolarHBondContact NE-OD1 2.9Å; R439-D449 IonicContact NE-OD2 3.43Å; R439-D449 PolarHBondContact NE-OD2 3.07Å; R439-D449 IonicContact NH2-OD1 3.27Å; R439-D449 PolarHBondContact NH2-OD1 2.75Å; R439-D449 IonicContact NH2-OD2 2.72Å; R439-D449 PolarHBondContact NH2-OD2 2.84Å
450I80.9Confident81.2Confident2 Ų264.6 Ų64.61%0.0134%0.337CS..EExtended strand (participates in β ladder)trans-102.1106.1174.4-52.2156.8000107.9V437 L438 L440 F452 L468 L473 V474V437-I450 CarbonylContact C-O 3.59Å; V437-I450 WeakPolarHBondContact CA-O 3.26Å; L438-I450 HydrophobicContact CB-CB 4.36Å; L438-I450 HydrophobicContact CD2-CD1 4.21Å; L438-I450 HydrophobicContact CG-CD1 4.48Å; L438-I450 PolarHBondContact N-O 2.9Å; L438-I450 PolarHBondContact O-N 2.79Å; L440-I450 HydrophobicContact CD2-CD1 3.57Å; L440-I450 HydrophobicContact CD2-CG1 4.32Å; I450-F452 HydrophobicContact CG2-CD1 4.42Å; I450-L468 HydrophobicContact CG2-CD2 3.74Å; I450-L473 HydrophobicContact CD1-CB 3.68Å; I450-L473 HydrophobicContact CG1-CB 4.41Å; I450-L473 HydrophobicContact CG2-CD1 3.99Å; I450-V474 HydrophobicContact CD1-CG2 4.46Å
451R81.3Confident81.1Confident82 Ų8264.2 Ų64.231%0.30934%0.335SS..EExtended strand (participates in β ladder)trans-89.4135176.5-58.2-171.7-178.4-104.15.7110.2R327 L328 L436 V437 S527R327-R451 HydrophobicContact CG-CB 4.5Å; L328-R451 VanDerWaalsContact O-O 3.12Å; L436-R451 CarbonylContact O-C 3.55Å; L436-R451 VanDerWaalsContact O-CA 3.3Å; L436-R451 WeakPolarHBondContact O-CA 3.35Å; V437-R451 HydrophobicContact CG1-CG 4.19Å; V437-R451 HydrophobicContact CG2-CG 4.15Å; R451-S527 PolarHBondContact NH1-OG 3.24Å
452F83.2Confident81.2Confident21 Ų2165.6 Ų65.69%0.09235%0.345CS..EExtended strand (participates in β ladder)trans-153.9162.5177.261.1-84.8000111.6L436 L438 I450 V464 L468 L486 L524L436-F452 HydrophobicContact CB-CD1 4.43Å; L436-F452 HydrophobicContact CB-CD2 4.18Å; L436-F452 HydrophobicContact CB-CE1 4.13Å; L436-F452 HydrophobicContact CB-CE2 3.86Å; L436-F452 HydrophobicContact CB-CG 4.47Å; L436-F452 HydrophobicContact CB-CZ 3.85Å; L436-F452 HydrophobicContact CD1-CD2 4.16Å; L436-F452 HydrophobicContact CD1-CE2 3.48Å; L436-F452 VanDerWaalsContact CD1-CE2 3.48Å; L436-F452 HydrophobicContact CD1-CZ 3.99Å; L436-F452 HydrophobicContact CG-CE2 4.33Å; L436-F452 PolarHBondContact N-O 2.81Å; L436-F452 PolarHBondContact O-N 2.92Å; L438-F452 HydrophobicContact CB-CE1 3.99Å; I450-F452 HydrophobicContact CG2-CD1 4.42Å; F452-V464 HydrophobicContact CD2-CG1 3.79Å; F452-V464 HydrophobicContact CE2-CG1 3.6Å; F452-V464 HydrophobicContact CZ-CG1 4.34Å; F452-L468 HydrophobicContact CD1-CD2 4.49Å; F452-L468 HydrophobicContact CE1-CD1 4.26Å; F452-L468 HydrophobicContact CZ-CD1 4.39Å; F452-L486 HydrophobicContact CE2-CD1 4.03Å; F452-L486 HydrophobicContact CE2-CD2 4.2Å; F452-L486 HydrophobicContact CZ-CD1 4.2Å; F452-L486 HydrophobicContact CZ-CD2 4.44Å; F452-L524 HydrophobicContact CE1-CD1 3.96Å; F452-L524 HydrophobicContact CZ-CD1 3.73Å
453E84.9Confident81.6Confident119 Ų11965.3 Ų65.356%0.55635%0.351SS*.EExtended strand (participates in β ladder)trans-101.8145.4171.7-66-171.2151.800111P433 I434P433-E453 HydrophobicContact CB-CB 4.37Å; I434-E453 CarbonylContact O-C 3.6Å; I434-E453 WeakPolarHBondContact O-CA 3.31Å
454F87.6Confident82.2Confident8 Ų860.5 Ų60.54%0.03532%0.317CS..EExtended strand (participates in β ladder)trans-119.3117.5167.7-176.6-83.8000109.6I434 L436 P456 D459 V464 L486 V490I434-F454 PolarHBondContact N-O 3.46Å; I434-F454 PolarHBondContact O-N 3.28Å; L436-F454 HydrophobicContact CD1-CB 3.64Å; F454-P456 HydrophobicContact CD1-CG 4.16Å; F454-P456 HydrophobicContact CE1-CB 4.31Å; F454-P456 HydrophobicContact CE1-CG 4.29Å; F454-P456 WeakPolarHBondContact O-CD 3.33Å; F454-D459 HydrophobicContact CD2-CB 4.11Å; F454-D459 HydrophobicContact CE2-CB 4.01Å; F454-D459 HydrophobicContact CZ-CB 4.4Å; F454-D459 WeakPolarHBondContact CZ-O 3.23Å; F454-V464 HydrophobicContact CD2-CG2 4.02Å; F454-V464 HydrophobicContact CE2-CG2 4.36Å; F454-L486 HydrophobicContact CD2-CD1 4.36Å; F454-L486 HydrophobicContact CD2-CD2 4.41Å; F454-V490 HydrophobicContact CB-CG1 4.18Å; F454-V490 HydrophobicContact CD1-CB 3.83Å; F454-V490 HydrophobicContact CD1-CG1 3.46Å; F454-V490 VanDerWaalsContact CD1-CG1 3.46Å; F454-V490 HydrophobicContact CD1-CG2 4.31Å; F454-V490 HydrophobicContact CD2-CG1 4.08Å; F454-V490 HydrophobicContact CE1-CB 3.67Å; F454-V490 HydrophobicContact CE1-CG1 3.76Å; F454-V490 HydrophobicContact CE1-CG2 3.7Å; F454-V490 HydrophobicContact CE2-CG1 4.35Å; F454-V490 HydrophobicContact CE2-CG2 4.38Å; F454-V490 HydrophobicContact CG-CB 4.47Å; F454-V490 HydrophobicContact CG-CG1 3.64Å; F454-V490 HydrophobicContact CZ-CB 4.21Å; F454-V490 HydrophobicContact CZ-CG1 4.21Å; F454-V490 HydrophobicContact CZ-CG2 3.76Å
455T85.6Confident82.8Confident25 Ų2553.2 Ų53.215%0.15329%0.286CS..  trans-97.1106.8178.3-51.90000110G457 R458 D459T455-G457 PolarHBondContact O-N 2.99Å; T455-R458 HydrophobicContact CG2-CB 3.9Å; T455-R458 PolarHBondContact O-N 3.31Å; T455-D459 WeakPolarHBondContact CA-OD2 3.47Å; T455-D459 WeakPolarHBondContact CB-OD2 3.45Å; T455-D459 PolarHBondContact N-OD2 3.43Å; T455-D459 PolarHBondContact O-N 2.81Å; T455-D459 PolarHBondContact OG1-OD2 3.25Å
456P81.9Confident82.9Confident29 Ų2950.2 Ų50.219%0.18827%0.273CS..BIsolated β-bridgetrans-63.9124.7-172.8-21.534000112.5K431 I432 I434 F454K431-P456 HydrophobicContact CB-CB 3.98Å; K431-P456 HydrophobicContact CB-CG 4.14Å; K431-P456 HydrophobicContact CD-CB 3.82Å; I432-P456 WeakPolarHBondContact O-CD 3.49Å; I434-P456 HydrophobicContact CD1-CG 3.97Å; I434-P456 HydrophobicContact CG1-CG 4.24Å; F454-P456 HydrophobicContact CD1-CG 4.16Å; F454-P456 HydrophobicContact CE1-CB 4.31Å; F454-P456 HydrophobicContact CE1-CG 4.29Å; F454-P456 WeakPolarHBondContact O-CD 3.33Å
457G75.3Confident82.9Confident86 Ų8648.7 Ų48.789%0.88727%0.266SS*.THydrogen-bonded Turntrans89.3-7.3-176.900000115T455T455-G457 PolarHBondContact O-N 2.99Å
458R78.3Confident82.7Confident142 Ų14244.7 Ų44.754%0.53625%0.245SC..THydrogen-bonded Turntrans-98.6-45.8162.7175.1-158.4177.41652.2110.3T455T455-R458 HydrophobicContact CG2-CB 3.9Å; T455-R458 PolarHBondContact O-N 3.31Å
459D82.8Confident82.8Confident35 Ų3544.3 Ų44.319%0.18724%0.242CC..BIsolated β-bridgetrans-107.2157.6-171.9-50.5-46.4000111F454 T455 V464F454-D459 HydrophobicContact CD2-CB 4.11Å; F454-D459 HydrophobicContact CE2-CB 4.01Å; F454-D459 HydrophobicContact CZ-CB 4.4Å; F454-D459 WeakPolarHBondContact CZ-O 3.23Å; T455-D459 WeakPolarHBondContact CA-OD2 3.47Å; T455-D459 WeakPolarHBondContact CB-OD2 3.45Å; T455-D459 PolarHBondContact N-OD2 3.43Å; T455-D459 PolarHBondContact O-N 2.81Å; T455-D459 PolarHBondContact OG1-OD2 3.25Å; D459-V464 HydrophobicContact CB-CG2 4.12Å
460T89.1Confident82.1Confident85 Ų8546 Ų4652%0.52126%0.257SS..  trans-126.7147.4175.964.90000109.7E462 G463 V464T460-E462 VanDerWaalsContact C-N 3.3Å; T460-E462 PolarHBondContact O-N 3.46Å; T460-G463 PolarHBondContact O-N 2.61Å; T460-G463 PolarHBondContact OG1-N 3.19Å; T460-V464 PolarHBondContact O-N 3.01Å
461A89.3Confident81.4Confident1 Ų147 Ų471%0.00826%0.264CS..Hα-helixtrans-63.4-37.6-175.500000112.6S465 A483 L486 Q487A461-S465 VanDerWaalsContact O-CB 3.28Å; A461-S465 WeakPolarHBondContact O-CB 3.23Å; A461-S465 PolarHBondContact O-N 3.25Å; A461-A483 VanDerWaalsContact CB-O 3.32Å; A461-A483 WeakPolarHBondContact CB-O 3.25Å; A461-L486 HydrophobicContact CB-CB 4Å; A461-L486 HydrophobicContact CB-CD2 4.06Å; A461-L486 HydrophobicContact CB-CG 3.77Å; A461-Q487 HydrophobicContact CB-CB 3.75Å; A461-Q487 VanDerWaalsContact CB-OE1 3.23Å
462E87.5Confident81.1Confident109 Ų10944.6 Ų44.651%0.50927%0.266SS..Hα-helixtrans-58.8-46.3170-171.579.1163.400111.5T460 S465 Q466 A483T460-E462 VanDerWaalsContact C-N 3.3Å; T460-E462 PolarHBondContact O-N 3.46Å; E462-S465 PolarHBondContact O-N 3.12Å; E462-Q466 VanDerWaalsContact O-CB 3.29Å; E462-Q466 WeakPolarHBondContact O-CB 3.28Å; E462-Q466 PolarHBondContact O-N 3.38Å; E462-A483 WeakPolarHBondContact OE2-CB 3.45Å
463G83.3Confident80.7Confident32 Ų3245 Ų4533%0.3327%0.269SS..Hα-helixtrans-65.1-42.3-179.400000113T460 Q466 E467T460-G463 PolarHBondContact O-N 2.61Å; T460-G463 PolarHBondContact OG1-N 3.19Å; G463-Q466 PolarHBondContact O-N 3.24Å; G463-E467 PolarHBondContact O-N 2.83Å
464V85.4Confident80.5Confident15 Ų1539.9 Ų39.99%0.09125%0.245CC..Hα-helixtrans-70.9-40.5177.1174.70000111.2F452 F454 D459 T460 Q466 E467 L468 L486F452-V464 HydrophobicContact CD2-CG1 3.79Å; F452-V464 HydrophobicContact CE2-CG1 3.6Å; F452-V464 HydrophobicContact CZ-CG1 4.34Å; F454-V464 HydrophobicContact CD2-CG2 4.02Å; F454-V464 HydrophobicContact CE2-CG2 4.36Å; D459-V464 HydrophobicContact CB-CG2 4.12Å; T460-V464 PolarHBondContact O-N 3.01Å; V464-Q466 VanDerWaalsContact C-N 3.3Å; V464-Q466 PolarHBondContact O-N 3.14Å; V464-E467 PolarHBondContact O-N 3.15Å; V464-L468 HydrophobicContact CG1-CD1 4.44Å; V464-L468 WeakPolarHBondContact O-CG 3.4Å; V464-L468 PolarHBondContact O-N 3.36Å; V464-L486 HydrophobicContact CB-CD2 3.71Å; V464-L486 HydrophobicContact CG1-CD2 3.7Å
465S85.7Confident80.3Confident0 Ų042.1 Ų42.10%026%0.258CS..Hα-helixtrans-59.2-42.5171.8-176.90000111.8A461 E462 L468 I469 L479A461-S465 VanDerWaalsContact O-CB 3.28Å; A461-S465 WeakPolarHBondContact O-CB 3.23Å; A461-S465 PolarHBondContact O-N 3.25Å; E462-S465 PolarHBondContact O-N 3.12Å; S465-L468 PolarHBondContact O-N 3.15Å; S465-I469 WeakPolarHBondContact O-CG1 3.4Å; S465-I469 PolarHBondContact O-N 3.47Å; S465-L479 PolarHBondContact OG-O 2.85Å
466Q78.7Confident80.2Confident40 Ų4042.8 Ų42.819%0.18727%0.269CS..Hα-helixtrans-62.7-40.7174.3-174.560.353.900112.4T185 E462 G463 V464 I469 S470T185-Q466 HydrophobicContact CG2-CG 3.92Å; E462-Q466 VanDerWaalsContact O-CB 3.29Å; E462-Q466 WeakPolarHBondContact O-CB 3.28Å; E462-Q466 PolarHBondContact O-N 3.38Å; G463-Q466 PolarHBondContact O-N 3.24Å; V464-Q466 VanDerWaalsContact C-N 3.3Å; V464-Q466 PolarHBondContact O-N 3.14Å; Q466-I469 PolarHBondContact O-N 2.88Å; Q466-S470 PolarHBondContact NE2-OG 2.7Å; Q466-S470 VanDerWaalsContact O-CB 3.29Å; Q466-S470 WeakPolarHBondContact O-CB 3.27Å; Q466-S470 PolarHBondContact O-N 3.47Å; Q466-S470 PolarHBondContact O-OG 3.45Å
467E78.3Confident80.4Confident47 Ų4747.4 Ų47.422%0.2228%0.283CS..Hα-helixtrans-63-43.6173.6-75.1-165.8169.800112K330 W336 G463 V464 I469 S470 A471K330-E467 IonicContact NZ-OE1 3.48Å; K330-E467 PolarHBondContact NZ-OE1 3.03Å; K330-E467 IonicContact NZ-OE2 3.66Å; K330-E467 PolarHBondContact NZ-OE2 3.14Å; W336-E467 HydrophobicContact CZ2-CB 4.38Å; G463-E467 PolarHBondContact O-N 2.83Å; V464-E467 PolarHBondContact O-N 3.15Å; E467-I469 VanDerWaalsContact C-N 3.33Å; E467-I469 PolarHBondContact O-N 3.09Å; E467-S470 PolarHBondContact O-N 3.35Å; E467-S470 VanDerWaalsContact O-N 3.15Å; E467-A471 WeakPolarHBondContact O-CB 3.18Å; E467-A471 PolarHBondContact O-N 3.27Å
468L79.1Confident81Confident1 Ų143.4 Ų43.41%0.00524%0.241CC..Hα-helixtrans-59.8-40.9177.9-69.4171.8000112.5L438 I450 F452 V464 S465 G472 L473 V474 V482L438-L468 HydrophobicContact CD2-CD1 3.98Å; I450-L468 HydrophobicContact CG2-CD2 3.74Å; F452-L468 HydrophobicContact CD1-CD2 4.49Å; F452-L468 HydrophobicContact CE1-CD1 4.26Å; F452-L468 HydrophobicContact CZ-CD1 4.39Å; V464-L468 HydrophobicContact CG1-CD1 4.44Å; V464-L468 WeakPolarHBondContact O-CG 3.4Å; V464-L468 PolarHBondContact O-N 3.36Å; S465-L468 PolarHBondContact O-N 3.15Å; L468-G472 PolarHBondContact O-N 2.99Å; L468-L473 HydrophobicContact CD2-CD1 3.89Å; L468-L473 WeakPolarHBondContact O-CB 3.36Å; L468-L473 PolarHBondContact O-N 3.31Å; L468-V474 HydrophobicContact CB-CB 4.36Å; L468-V474 HydrophobicContact CB-CG2 3.94Å; L468-V474 HydrophobicContact CD1-CG2 4.48Å; L468-V482 HydrophobicContact CD1-CG1 4.21Å
469I78.1Confident81.3Confident29 Ų2938.2 Ų38.215%0.14922%0.224CC..Hα-helixtrans-70.1-40.6174.7-70.2168.2000111.1S465 Q466 E467 A471 G472 V474 L479S465-I469 WeakPolarHBondContact O-CG1 3.4Å; S465-I469 PolarHBondContact O-N 3.47Å; Q466-I469 PolarHBondContact O-N 2.88Å; E467-I469 VanDerWaalsContact C-N 3.33Å; E467-I469 PolarHBondContact O-N 3.09Å; I469-A471 VanDerWaalsContact C-N 3.25Å; I469-A471 PolarHBondContact O-N 2.9Å; I469-G472 WeakPolarHBondContact O-CA 3.42Å; I469-G472 PolarHBondContact O-N 2.87Å; I469-V474 HydrophobicContact CD1-CG1 4.16Å; I469-V474 HydrophobicContact CG1-CB 3.76Å; I469-V474 HydrophobicContact CG1-CG1 3.69Å; I469-L479 VanDerWaalsContact CD1-CA 3.41Å; I469-L479 HydrophobicContact CD1-CB 3.38Å; I469-L479 HydrophobicContact CD1-CD1 4.19Å; I469-L479 HydrophobicContact CD1-CG 3.77Å
470S67.3Low81.6Confident59 Ų5941.6 Ų41.641%0.41325%0.246SC..Hα-helixtrans-69.2-25.1179.9-52.50000112.4A27 Q466 E467 G472A27-S470 WeakPolarHBondContact CB-O 3.5Å; Q466-S470 PolarHBondContact NE2-OG 2.7Å; Q466-S470 VanDerWaalsContact O-CB 3.29Å; Q466-S470 WeakPolarHBondContact O-CB 3.27Å; Q466-S470 PolarHBondContact O-N 3.47Å; Q466-S470 PolarHBondContact O-OG 3.45Å; E467-S470 PolarHBondContact O-N 3.35Å; E467-S470 VanDerWaalsContact O-N 3.15Å; S470-G472 VanDerWaalsContact C-N 3.3Å
471A66.8Low81.7Confident21 Ų2140.2 Ų40.217%0.17423%0.234CC..THydrogen-bonded Turntrans-80.6-5.5168.100000113.5A27 W336 E467 I469 L473A27-A471 VanDerWaalsContact CB-C 3.42Å; A27-A471 WeakPolarHBondContact CB-O 3.28Å; W336-A471 HydrophobicContact CG-CB 4.44Å; E467-A471 WeakPolarHBondContact O-CB 3.18Å; E467-A471 PolarHBondContact O-N 3.27Å; I469-A471 VanDerWaalsContact C-N 3.25Å; I469-A471 PolarHBondContact O-N 2.9Å; A471-L473 HydrophobicContact CB-CD1 3.69Å; A471-L473 HydrophobicContact CB-CG 3.74Å
472G74Confident81.7Confident33 Ų3340.2 Ų40.234%0.3424%0.235SC..THydrogen-bonded Turntrans73.824.8179.100000114.5L468 I469 S470L468-G472 PolarHBondContact O-N 2.99Å; I469-G472 WeakPolarHBondContact O-CA 3.42Å; I469-G472 PolarHBondContact O-N 2.87Å; S470-G472 VanDerWaalsContact C-N 3.3Å
473L76.5Confident81.9Confident29 Ų2935.4 Ų35.415%0.15221%0.213CC..SBendtrans-95.5-20.4-175.8-49.8169.4000112.9L328 W338 I450 L468 A471L328-L473 HydrophobicContact CD2-CD1 3.38Å; L328-L473 HydrophobicContact CD2-CD2 3.94Å; L328-L473 HydrophobicContact CD2-CG 4.26Å; W338-L473 HydrophobicContact CH2-CD2 4.04Å; W338-L473 HydrophobicContact CZ2-CD2 3.94Å; I450-L473 HydrophobicContact CD1-CB 3.68Å; I450-L473 HydrophobicContact CG1-CB 4.41Å; I450-L473 HydrophobicContact CG2-CD1 3.99Å; L468-L473 HydrophobicContact CD2-CD1 3.89Å; L468-L473 WeakPolarHBondContact O-CB 3.36Å; L468-L473 PolarHBondContact O-N 3.31Å; A471-L473 HydrophobicContact CB-CD1 3.69Å; A471-L473 HydrophobicContact CB-CG 3.74Å
474V80.4Confident82.3Confident11 Ų1136.4 Ų36.47%0.06722%0.219CC..SBendtrans-134.1145.8-178.2171.60000107.6L438 L440 I450 L468 I469 D478 V482L438-V474 HydrophobicContact CD2-CG2 3.69Å; L440-V474 HydrophobicContact CD1-CG2 4.32Å; I450-V474 HydrophobicContact CD1-CG2 4.46Å; L468-V474 HydrophobicContact CB-CB 4.36Å; L468-V474 HydrophobicContact CB-CG2 3.94Å; L468-V474 HydrophobicContact CD1-CG2 4.48Å; I469-V474 HydrophobicContact CD1-CG1 4.16Å; I469-V474 HydrophobicContact CG1-CB 3.76Å; I469-V474 HydrophobicContact CG1-CG1 3.69Å; V474-D478 HydrophobicContact CG1-CB 3.75Å; V474-V482 HydrophobicContact CG1-CG2 3.9Å
475D83.8Confident82.8Confident56 Ų5636.7 Ų36.730%0.29922%0.219SC..  trans-70.8144.8178-170.1-71.5000111.5R477 D478D475-R477 VanDerWaalsContact CG-NE 3.33Å; D475-R477 PolarHBondContact O-N 2.89Å; D475-R477 VanDerWaalsContact O-N 3.11Å; D475-R477 WeakPolarHBondContact OD1-CB 3.38Å; D475-R477 VanDerWaalsContact OD1-CG 3.23Å; D475-R477 WeakPolarHBondContact OD1-CG 3.5Å; D475-R477 IonicContact OD1-CZ 2.71Å; D475-R477 PolarHBondContact OD1-N 2.88Å; D475-R477 IonicContact OD1-NE 2.63Å; D475-R477 PolarHBondContact OD1-NE 3.45Å; D475-R477 IonicContact OD1-NH2 2.72Å; D475-R477 IonicContact OD2-CZ 3.81Å; D475-R477 IonicContact OD2-NE 2.57Å; D475-R477 PolarHBondContact OD2-NE 2.61Å; D475-R477 IonicContact OD2-NH2 2.84Å; D475-R477 PolarHBondContact OD2-NH2 3.42Å; D475-D478 WeakPolarHBondContact CB-OD2 3.34Å; D475-D478 PolarHBondContact O-N 3.38Å
476G81.6Confident83.1Confident38 Ų3836.7 Ų36.739%0.39222%0.22SC..G310 helixtrans-58.9-23.5177.800000114.7D478G476-D478 VanDerWaalsContact C-N 3.33Å
477R86.6Confident83.8Confident127 Ų12738.2 Ų38.248%0.47923%0.227SC..G310 helixtrans-71.1-27173.1-64.2170-77.8176.6-6.2112.6D475 S505D475-R477 VanDerWaalsContact CG-NE 3.33Å; D475-R477 PolarHBondContact O-N 2.89Å; D475-R477 VanDerWaalsContact O-N 3.11Å; D475-R477 WeakPolarHBondContact OD1-CB 3.38Å; D475-R477 VanDerWaalsContact OD1-CG 3.23Å; D475-R477 WeakPolarHBondContact OD1-CG 3.5Å; D475-R477 IonicContact OD1-CZ 2.71Å; D475-R477 PolarHBondContact OD1-N 2.88Å; D475-R477 IonicContact OD1-NE 2.63Å; D475-R477 PolarHBondContact OD1-NE 3.45Å; D475-R477 IonicContact OD1-NH2 2.72Å; D475-R477 IonicContact OD2-CZ 3.81Å; D475-R477 IonicContact OD2-NE 2.57Å; D475-R477 PolarHBondContact OD2-NE 2.61Å; D475-R477 IonicContact OD2-NH2 2.84Å; D475-R477 PolarHBondContact OD2-NH2 3.42Å; R477-S505 PolarHBondContact NH1-O 2.79Å
478D88.6Confident84.3Confident2 Ų240.5 Ų40.51%0.01124%0.236CC..G310 helixtrans-89.8-1-172.2-67-36.6000114V474 D475 G476 V480 I481 V482 L503 A504 S505V474-D478 HydrophobicContact CG1-CB 3.75Å; D475-D478 WeakPolarHBondContact CB-OD2 3.34Å; D475-D478 PolarHBondContact O-N 3.38Å; G476-D478 VanDerWaalsContact C-N 3.33Å; D478-V480 PolarHBondContact O-N 2.77Å; D478-I481 HydrophobicContact CB-CG2 4.16Å; D478-I481 VanDerWaalsContact O-CG2 3.26Å; D478-I481 WeakPolarHBondContact O-CG2 3.38Å; D478-I481 PolarHBondContact O-N 3.47Å; D478-V482 HydrophobicContact CB-CG2 4.31Å; D478-V482 WeakPolarHBondContact O-CB 3.4Å; D478-V482 WeakPolarHBondContact O-CG2 3.23Å; D478-V482 PolarHBondContact O-N 3.49Å; D478-L503 HydrophobicContact CB-CD2 4.22Å; D478-L503 WeakPolarHBondContact OD1-CB 3.11Å; D478-A504 WeakPolarHBondContact OD1-CA 3.49Å; D478-A504 PolarHBondContact OD1-N 2.93Å; D478-S505 PolarHBondContact OD1-N 2.94Å; D478-S505 PolarHBondContact OD1-OG 3.11Å; D478-S505 VanDerWaalsContact OD2-CB 3.24Å; D478-S505 WeakPolarHBondContact OD2-CB 3.09Å; D478-S505 PolarHBondContact OD2-OG 3.14Å
479L85.3Confident84.9Confident33 Ų3340.5 Ų40.517%0.17324%0.236CC..Hα-helixtrans-44.6-62.1179.1-167.3164.3000112.4S465 I469 I481 V482 A483S465-L479 PolarHBondContact OG-O 2.85Å; I469-L479 VanDerWaalsContact CD1-CA 3.41Å; I469-L479 HydrophobicContact CD1-CB 3.38Å; I469-L479 HydrophobicContact CD1-CD1 4.19Å; I469-L479 HydrophobicContact CD1-CG 3.77Å; L479-I481 VanDerWaalsContact C-N 3.3Å; L479-I481 PolarHBondContact O-N 3.36Å; L479-V482 PolarHBondContact O-N 3.05Å; L479-A483 VanDerWaalsContact O-CB 3.25Å; L479-A483 WeakPolarHBondContact O-CB 3.49Å; L479-A483 PolarHBondContact O-N 2.75Å
480V88.2Confident85.5Confident106 Ų10640 Ų4064%0.64223%0.234SC*.Hα-helixtrans-65.8-34.6-172.3-1760000111.5D478 A484D478-V480 PolarHBondContact O-N 2.77Å; V480-A484 WeakPolarHBondContact O-CB 3.49Å; V480-A484 PolarHBondContact O-N 2.72Å
481I90.4Very high86.5Confident55 Ų5543.5 Ų43.528%0.28224%0.244SC..Hα-helixtrans-79.9-35.5-178.3-166.763.4000112.1D478 L479 N485 F501D478-I481 HydrophobicContact CB-CG2 4.16Å; D478-I481 VanDerWaalsContact O-CG2 3.26Å; D478-I481 WeakPolarHBondContact O-CG2 3.38Å; D478-I481 PolarHBondContact O-N 3.47Å; L479-I481 VanDerWaalsContact C-N 3.3Å; L479-I481 PolarHBondContact O-N 3.36Å; I481-N485 WeakPolarHBondContact CD1-ND2 3.35Å; I481-N485 PolarHBondContact O-N 3.34Å; I481-N485 VanDerWaalsContact O-N 3.09Å; I481-N485 PolarHBondContact O-ND2 2.89Å; I481-F501 HydrophobicContact CG1-CD2 3.78Å; I481-F501 HydrophobicContact CG1-CE2 4.41Å; I481-F501 HydrophobicContact CG2-CD2 4.46Å; I481-F501 HydrophobicContact CG2-CE2 4.43Å
482V91.1Very high87.4Confident2 Ų247.9 Ų47.91%0.01226%0.261CS..Hα-helixtrans-68-44.7171.6171.60000110.4L438 L468 V474 D478 L479 A484 N485 L486 F501L438-V482 HydrophobicContact CD2-CG1 4.19Å; L468-V482 HydrophobicContact CD1-CG1 4.21Å; V474-V482 HydrophobicContact CG1-CG2 3.9Å; D478-V482 HydrophobicContact CB-CG2 4.31Å; D478-V482 WeakPolarHBondContact O-CB 3.4Å; D478-V482 WeakPolarHBondContact O-CG2 3.23Å; D478-V482 PolarHBondContact O-N 3.49Å; L479-V482 PolarHBondContact O-N 3.05Å; V482-A484 PolarHBondContact O-N 2.94Å; V482-N485 PolarHBondContact O-N 2.85Å; V482-L486 WeakPolarHBondContact O-CB 3.2Å; V482-L486 PolarHBondContact O-N 2.96Å; V482-F501 HydrophobicContact CG2-CE2 3.88Å; V482-F501 HydrophobicContact CG2-CZ 4Å
483A91Very high87.9Confident7 Ų748.2 Ų48.26%0.05826%0.257CS..Hα-helixtrans-59.1-46.317500000112.1A461 E462 L479 L486 Q487A461-A483 VanDerWaalsContact CB-O 3.32Å; A461-A483 WeakPolarHBondContact CB-O 3.25Å; E462-A483 WeakPolarHBondContact OE2-CB 3.45Å; L479-A483 VanDerWaalsContact O-CB 3.25Å; L479-A483 WeakPolarHBondContact O-CB 3.49Å; L479-A483 PolarHBondContact O-N 2.75Å; A483-L486 PolarHBondContact O-N 2.76Å; A483-Q487 WeakPolarHBondContact O-CB 3.36Å; A483-Q487 PolarHBondContact O-N 3.17Å
484A92.3Very high88.1Confident54 Ų5454.2 Ų54.245%0.44628%0.284SS..Hα-helixtrans-64.3-42.5179.500000113.2V480 V482 K488V480-A484 WeakPolarHBondContact O-CB 3.49Å; V480-A484 PolarHBondContact O-N 2.72Å; V482-A484 PolarHBondContact O-N 2.94Å; A484-K488 PolarHBondContact O-N 3.46Å; A484-K488 VanDerWaalsContact O-N 3.11Å
485N94.3Very high88.1Confident20 Ų2057.1 Ų57.111%0.10731%0.305CS..Hα-helixtrans-73.5-33.3178.2-74.2-81000112.2I481 V482 K488 I489 V499 F501I481-N485 WeakPolarHBondContact CD1-ND2 3.35Å; I481-N485 PolarHBondContact O-N 3.34Å; I481-N485 VanDerWaalsContact O-N 3.09Å; I481-N485 PolarHBondContact O-ND2 2.89Å; V482-N485 PolarHBondContact O-N 2.85Å; N485-K488 PolarHBondContact O-N 3.26Å; N485-I489 WeakPolarHBondContact O-CG1 3.27Å; N485-I489 PolarHBondContact O-N 3.43Å; N485-V499 VanDerWaalsContact OD1-CG1 3.29Å; N485-V499 WeakPolarHBondContact OD1-CG1 3.28Å; N485-F501 HydrophobicContact CB-CD1 3.59Å; N485-F501 HydrophobicContact CB-CE1 3.69Å; N485-F501 HydrophobicContact CB-CG 4.1Å; N485-F501 HydrophobicContact CB-CZ 4.25Å; N485-F501 VanDerWaalsContact CG-CD1 3.44Å; N485-F501 WeakPolarHBondContact ND2-CB 3.39Å; N485-F501 VanDerWaalsContact ND2-CG 3.33Å; N485-F501 WeakPolarHBondContact ND2-CG 3.35Å
486L92.9Very high88.1Confident1 Ų155.4 Ų55.41%0.00530%0.296CS..Hα-helixtrans-63.7-46.6171176.157.3000111.5L436 F452 F454 A461 V464 V482 A483 K488 I489 V490 L524L436-L486 HydrophobicContact CD1-CD1 3.46Å; L436-L486 VanDerWaalsContact CD1-CD1 3.46Å; F452-L486 HydrophobicContact CE2-CD1 4.03Å; F452-L486 HydrophobicContact CE2-CD2 4.2Å; F452-L486 HydrophobicContact CZ-CD1 4.2Å; F452-L486 HydrophobicContact CZ-CD2 4.44Å; F454-L486 HydrophobicContact CD2-CD1 4.36Å; F454-L486 HydrophobicContact CD2-CD2 4.41Å; A461-L486 HydrophobicContact CB-CB 4Å; A461-L486 HydrophobicContact CB-CD2 4.06Å; A461-L486 HydrophobicContact CB-CG 3.77Å; V464-L486 HydrophobicContact CB-CD2 3.71Å; V464-L486 HydrophobicContact CG1-CD2 3.7Å; V482-L486 WeakPolarHBondContact O-CB 3.2Å; V482-L486 PolarHBondContact O-N 2.96Å; A483-L486 PolarHBondContact O-N 2.76Å; L486-K488 VanDerWaalsContact C-N 3.3Å; L486-K488 PolarHBondContact O-N 3.38Å; L486-I489 PolarHBondContact O-N 2.8Å; L486-I489 VanDerWaalsContact O-N 3.14Å; L486-V490 HydrophobicContact CD1-CG1 3.85Å; L486-V490 WeakPolarHBondContact O-CG1 3.47Å; L486-V490 WeakPolarHBondContact O-CG2 3.36Å; L486-V490 PolarHBondContact O-N 3.01Å; L486-L524 VanDerWaalsContact CA-CD2 3.48Å; L486-L524 HydrophobicContact CB-CD2 3.89Å; L486-L524 HydrophobicContact CD1-CD2 3.9Å
487Q92.1Very high88.4Confident72 Ų7261 Ų6134%0.33631%0.305SS..Hα-helixtrans-55.2-47.1176-169.965.722.900111A461 A483 I489 V490 E491A461-Q487 HydrophobicContact CB-CB 3.75Å; A461-Q487 VanDerWaalsContact CB-OE1 3.23Å; A483-Q487 WeakPolarHBondContact O-CB 3.36Å; A483-Q487 PolarHBondContact O-N 3.17Å; Q487-I489 VanDerWaalsContact C-N 3.33Å; Q487-I489 PolarHBondContact O-N 3.01Å; Q487-V490 WeakPolarHBondContact O-CG2 3.49Å; Q487-V490 PolarHBondContact O-N 3.12Å; Q487-E491 HydrophobicContact CG-CG 4.34Å; Q487-E491 PolarHBondContact NE2-OE1 3.25Å; Q487-E491 WeakPolarHBondContact O-CB 3.37Å; Q487-E491 WeakPolarHBondContact O-CG 3.37Å; Q487-E491 PolarHBondContact O-N 3.03Å
488K90.3Very high88.6Confident95 Ų9557.8 Ų57.841%0.41330%0.303SS..Hα-helixtrans-58.3-38.6177.5-173.9-174.4179.6-148.40113.7A484 N485 L486 E492 N496A484-K488 PolarHBondContact O-N 3.46Å; A484-K488 VanDerWaalsContact O-N 3.11Å; N485-K488 PolarHBondContact O-N 3.26Å; L486-K488 VanDerWaalsContact C-N 3.3Å; L486-K488 PolarHBondContact O-N 3.38Å; K488-E492 PolarHBondContact O-N 2.87Å; K488-N496 WeakPolarHBondContact CE-OD1 3.42Å; K488-N496 PolarHBondContact NZ-OD1 3.29Å; K488-N496 VanDerWaalsContact NZ-OD1 3.12Å; K488-N496 PolarHBondContact O-ND2 3.3Å
489I91.8Very high88.8Confident0 Ų058.4 Ų58.40%031%0.306CS..Hα-helixtrans-73.2-39.8177.8-66.8-164.2000111.8L436 N485 L486 Q487 E492 P493 N496 V499 L524 I526L436-I489 HydrophobicContact CD2-CG2 3.72Å; N485-I489 WeakPolarHBondContact O-CG1 3.27Å; N485-I489 PolarHBondContact O-N 3.43Å; L486-I489 PolarHBondContact O-N 2.8Å; L486-I489 VanDerWaalsContact O-N 3.14Å; Q487-I489 VanDerWaalsContact C-N 3.33Å; Q487-I489 PolarHBondContact O-N 3.01Å; I489-E492 CarbonylContact O-C 3.45Å; I489-P493 VanDerWaalsContact O-CA 3.23Å; I489-P493 WeakPolarHBondContact O-CA 3.32Å; I489-P493 WeakPolarHBondContact O-CD 3.34Å; I489-P493 VanDerWaalsContact O-N 3.11Å; I489-N496 WeakPolarHBondContact CD1-O 3.29Å; I489-N496 HydrophobicContact CG1-CB 4.06Å; I489-N496 WeakPolarHBondContact CG1-O 3.42Å; I489-V499 HydrophobicContact CD1-CB 4.11Å; I489-V499 HydrophobicContact CD1-CG2 3.8Å; I489-V499 HydrophobicContact CG1-CB 4.44Å; I489-V499 HydrophobicContact CG1-CG2 3.76Å; I489-L524 HydrophobicContact CB-CD2 4.43Å; I489-L524 HydrophobicContact CD1-CB 3.97Å; I489-L524 HydrophobicContact CD1-CD2 3.76Å; I489-L524 HydrophobicContact CD1-CG 3.76Å; I489-L524 VanDerWaalsContact CD1-O 3.23Å; I489-L524 WeakPolarHBondContact CD1-O 3.33Å; I489-L524 HydrophobicContact CG1-CD2 4.24Å; I489-I526 HydrophobicContact CG2-CD1 3.8Å; I489-I526 HydrophobicContact CG2-CG1 3.58Å
490V89.7Confident89.3Confident20 Ų2059.5 Ų59.512%0.12132%0.315CS..Hα-helixtrans-81.1-20.6-176.1-55.50000113.5I434 L436 F454 L486 Q487I434-V490 HydrophobicContact CD1-CB 4.18Å; I434-V490 HydrophobicContact CD1-CG1 4.2Å; L436-V490 HydrophobicContact CD1-CG1 4.33Å; F454-V490 HydrophobicContact CB-CG1 4.18Å; F454-V490 HydrophobicContact CD1-CB 3.83Å; F454-V490 HydrophobicContact CD1-CG1 3.46Å; F454-V490 VanDerWaalsContact CD1-CG1 3.46Å; F454-V490 HydrophobicContact CD1-CG2 4.31Å; F454-V490 HydrophobicContact CD2-CG1 4.08Å; F454-V490 HydrophobicContact CE1-CB 3.67Å; F454-V490 HydrophobicContact CE1-CG1 3.76Å; F454-V490 HydrophobicContact CE1-CG2 3.7Å; F454-V490 HydrophobicContact CE2-CG1 4.35Å; F454-V490 HydrophobicContact CE2-CG2 4.38Å; F454-V490 HydrophobicContact CG-CB 4.47Å; F454-V490 HydrophobicContact CG-CG1 3.64Å; F454-V490 HydrophobicContact CZ-CB 4.21Å; F454-V490 HydrophobicContact CZ-CG1 4.21Å; F454-V490 HydrophobicContact CZ-CG2 3.76Å; L486-V490 HydrophobicContact CD1-CG1 3.85Å; L486-V490 WeakPolarHBondContact O-CG1 3.47Å; L486-V490 WeakPolarHBondContact O-CG2 3.36Å; L486-V490 PolarHBondContact O-N 3.01Å; Q487-V490 WeakPolarHBondContact O-CG2 3.49Å; Q487-V490 PolarHBondContact O-N 3.12Å
491E87.9Confident89.6Confident131 Ų13155.1 Ų55.161%0.61229%0.287SS*.Hα-helixtrans-74.6-42.4170.2-74.8176.2164.200112.1Q487Q487-E491 HydrophobicContact CG-CG 4.34Å; Q487-E491 PolarHBondContact NE2-OE1 3.25Å; Q487-E491 WeakPolarHBondContact O-CB 3.37Å; Q487-E491 WeakPolarHBondContact O-CG 3.37Å; Q487-E491 PolarHBondContact O-N 3.03Å
492E86.7Confident89.7Confident113 Ų11358.4 Ų58.453%0.52830%0.299SS..  trans-129.165.7-178.9-52.1-177.8171.600113.4K488 I489 Q494 S495 N496K488-E492 PolarHBondContact O-N 2.87Å; I489-E492 CarbonylContact O-C 3.45Å; E492-Q494 PolarHBondContact O-N 3.11Å; E492-S495 WeakPolarHBondContact CB-OG 3.42Å; E492-S495 PolarHBondContact O-N 3.01Å; E492-S495 VanDerWaalsContact O-N 3.14Å; E492-S495 PolarHBondContact O-OG 2.63Å; E492-S495 VanDerWaalsContact O-OG 3.11Å; E492-S495 PolarHBondContact OE2-OG 3.14Å; E492-N496 PolarHBondContact O-N 2.8Å; E492-N496 PolarHBondContact OE2-ND2 3.43Å
493P83.6Confident89.7Confident41 Ų4159.1 Ų59.127%0.26630%0.303SS..THydrogen-bonded Turntrans-66.2-9.9-17424.5-34.6000115I434 I489 I526I434-P493 HydrophobicContact CD1-CB 4.46Å; I434-P493 HydrophobicContact CD1-CG 4.47Å; I489-P493 VanDerWaalsContact O-CA 3.23Å; I489-P493 WeakPolarHBondContact O-CA 3.32Å; I489-P493 WeakPolarHBondContact O-CD 3.34Å; I489-P493 VanDerWaalsContact O-N 3.11Å; P493-I526 HydrophobicContact CB-CD1 3.49Å; P493-I526 VanDerWaalsContact CB-CD1 3.49Å; P493-I526 VanDerWaalsContact O-CD1 3.27Å; P493-I526 WeakPolarHBondContact O-CD1 3.29Å
494Q80.6Confident89.5Confident154 Ų15462 Ų6272%0.7233%0.327SS*.THydrogen-bonded Turntrans-89.6-29.4175.3-60.6-62.1-13.800113.4E492E492-Q494 PolarHBondContact O-N 3.11Å
495S81.2Confident89.2Confident73 Ų7360.6 Ų60.651%0.5131%0.314SS..THydrogen-bonded Turntrans-89.8-40.5176.2610000111.3E492 R497E492-S495 WeakPolarHBondContact CB-OG 3.42Å; E492-S495 PolarHBondContact O-N 3.01Å; E492-S495 VanDerWaalsContact O-N 3.14Å; E492-S495 PolarHBondContact O-OG 2.63Å; E492-S495 VanDerWaalsContact O-OG 3.11Å; E492-S495 PolarHBondContact OE2-OG 3.14Å; S495-R497 PolarHBondContact O-N 3.26Å
496N84.4Confident88.6Confident19 Ų1961 Ų6110%0.10232%0.322CS..  trans-103.152.9-171.2-64.3-62.8000112.5K488 I489 E492 S498 V499K488-N496 WeakPolarHBondContact CE-OD1 3.42Å; K488-N496 PolarHBondContact NZ-OD1 3.29Å; K488-N496 VanDerWaalsContact NZ-OD1 3.12Å; K488-N496 PolarHBondContact O-ND2 3.3Å; I489-N496 WeakPolarHBondContact CD1-O 3.29Å; I489-N496 HydrophobicContact CG1-CB 4.06Å; I489-N496 WeakPolarHBondContact CG1-O 3.42Å; E492-N496 PolarHBondContact O-N 2.8Å; E492-N496 PolarHBondContact OE2-ND2 3.43Å; N496-S498 PolarHBondContact O-N 2.75Å; N496-V499 HydrophobicContact CB-CG2 4.01Å
497R87.6Confident87.9Confident155 Ų15563.3 Ų63.359%0.58534%0.337SS*.SBendtrans-62.3-26.1178-79-173173.7-109.7-2114.6S495 S525 I526S495-R497 PolarHBondContact O-N 3.26Å; R497-S525 CarbonylContact O-C 3.56Å; R497-S525 VanDerWaalsContact O-CA 3.28Å; R497-S525 WeakPolarHBondContact O-CA 3.33Å; R497-S525 WeakPolarHBondContact O-CB 3.47Å; R497-I526 PolarHBondContact O-N 3.41Å
498S91.6Very high86.8Confident61 Ų6166.1 Ų66.143%0.42735%0.349SS..EExtended strand (participates in β ladder)trans-150.8136.4172.9-175.90000109.8N496 L524N496-S498 PolarHBondContact O-N 2.75Å; S498-L524 CarbonylContact C-O 3.56Å; S498-L524 WeakPolarHBondContact CA-O 3.46Å
499V92.2Very high85.8Confident14 Ų1465.4 Ų65.49%0.08537%0.37CS..EExtended strand (participates in β ladder)trans-137.2112.2-179.6-176.50000108.9N485 I489 N496 Q523 L524N485-V499 VanDerWaalsContact OD1-CG1 3.29Å; N485-V499 WeakPolarHBondContact OD1-CG1 3.28Å; I489-V499 HydrophobicContact CD1-CB 4.11Å; I489-V499 HydrophobicContact CD1-CG2 3.8Å; I489-V499 HydrophobicContact CG1-CB 4.44Å; I489-V499 HydrophobicContact CG1-CG2 3.76Å; N496-V499 HydrophobicContact CB-CG2 4.01Å; V499-Q523 WeakPolarHBondContact O-CA 3.36Å; V499-L524 PolarHBondContact N-O 3.19Å; V499-L524 PolarHBondContact O-N 3.28Å
500T95Very high85Confident57 Ų5771 Ų7135%0.3541%0.409SS..EExtended strand (participates in β ladder)trans-87.3131.9167.8-55.20000109.5D515 L518 F521 A522 Q523T500-D515 HydrophobicContact CG2-CB 4.32Å; T500-L518 HydrophobicContact CG2-CD2 3.77Å; T500-F521 HydrophobicContact CG2-CB 4.22Å; T500-F521 HydrophobicContact CG2-CD1 4.36Å; T500-A522 CarbonylContact C-O 3.56Å; T500-A522 WeakPolarHBondContact CA-O 3.28Å; T500-Q523 PolarHBondContact OG1-NE2 2.57Å
501F94.5Very high84.5Confident13 Ų1372.7 Ų72.76%0.05742%0.417CS..EExtended strand (participates in β ladder)trans-140.4151.7-178.857.6-89000111.8L438 I481 V482 N485 L503 F521 A522 L524L438-F501 HydrophobicContact CD1-CE1 4.27Å; L438-F501 HydrophobicContact CD1-CZ 3.86Å; I481-F501 HydrophobicContact CG1-CD2 3.78Å; I481-F501 HydrophobicContact CG1-CE2 4.41Å; I481-F501 HydrophobicContact CG2-CD2 4.46Å; I481-F501 HydrophobicContact CG2-CE2 4.43Å; V482-F501 HydrophobicContact CG2-CE2 3.88Å; V482-F501 HydrophobicContact CG2-CZ 4Å; N485-F501 HydrophobicContact CB-CD1 3.59Å; N485-F501 HydrophobicContact CB-CE1 3.69Å; N485-F501 HydrophobicContact CB-CG 4.1Å; N485-F501 HydrophobicContact CB-CZ 4.25Å; N485-F501 VanDerWaalsContact CG-CD1 3.44Å; N485-F501 WeakPolarHBondContact ND2-CB 3.39Å; N485-F501 VanDerWaalsContact ND2-CG 3.33Å; N485-F501 WeakPolarHBondContact ND2-CG 3.35Å; F501-L503 HydrophobicContact CD2-CD2 4.43Å; F501-L503 HydrophobicContact CE2-CD2 3.98Å; F501-F521 CarbonylContact O-C 3.56Å; F501-F521 VanDerWaalsContact O-CA 3.22Å; F501-F521 WeakPolarHBondContact O-CA 3.39Å; F501-F521 WeakPolarHBondContact O-CB 3.41Å; F501-A522 HydrophobicContact CE1-CB 4.35Å; F501-A522 HydrophobicContact CE2-CB 3.95Å; F501-A522 HydrophobicContact CZ-CB 3.83Å; F501-A522 PolarHBondContact N-O 3.43Å; F501-A522 PolarHBondContact O-N 2.9Å; F501-L524 HydrophobicContact CE1-CB 3.95Å
502K93.1Very high84.2Confident125 Ų12573.1 Ų73.154%0.54342%0.422SS..EExtended strand (participates in β ladder)trans-77.6139179.3-169.6178.7176.61790110.6G520 F521K502-G520 WeakPolarHBondContact CG-O 3.39Å; K502-F521 VanDerWaalsContact CA-CD1 3.5Å; K502-F521 HydrophobicContact CB-CD1 3.84Å; K502-F521 HydrophobicContact CB-CE1 3.7Å; K502-F521 HydrophobicContact CB-CZ 4.36Å; K502-F521 HydrophobicContact CG-CD1 4.33Å; K502-F521 HydrophobicContact CG-CE1 4.08Å; K502-F521 HydrophobicContact CG-CZ 4.27Å
503L91.3Very high84.2Confident16 Ų1670.9 Ų70.98%0.08442%0.417CS..  trans-81.8143.2174.3-62.2176.9000111.2D478 F501 G520 A522D478-L503 HydrophobicContact CB-CD2 4.22Å; D478-L503 WeakPolarHBondContact OD1-CB 3.11Å; F501-L503 HydrophobicContact CD2-CD2 4.43Å; F501-L503 HydrophobicContact CE2-CD2 3.98Å; L503-G520 PolarHBondContact N-O 3.03Å; L503-A522 HydrophobicContact CD1-CB 4.44Å; L503-A522 HydrophobicContact CD2-CB 3.82Å; L503-A522 HydrophobicContact CG-CB 4.29Å
504A87.4Confident84.5Confident68 Ų6871 Ų7156%0.56242%0.416SS*.SBendtrans-80.8-22.217400000112.2D478 G506D478-A504 WeakPolarHBondContact OD1-CA 3.49Å; D478-A504 PolarHBondContact OD1-N 2.93Å; A504-G506 PolarHBondContact O-N 2.71Å
505S84.5Confident85Confident25 Ų2568.4 Ų68.418%0.17541%0.407CS..SBendtrans-60.3-29.416654.60000113R477 D478R477-S505 PolarHBondContact NH1-O 2.79Å; D478-S505 PolarHBondContact OD1-N 2.94Å; D478-S505 PolarHBondContact OD1-OG 3.11Å; D478-S505 VanDerWaalsContact OD2-CB 3.24Å; D478-S505 WeakPolarHBondContact OD2-CB 3.09Å; D478-S505 PolarHBondContact OD2-OG 3.14Å
506G82.6Confident85.1Confident28 Ų2868.3 Ų68.329%0.28942%0.417SS..  trans86.4-135.9173.100000113.2A504 G520A504-G506 PolarHBondContact O-N 2.71Å; G506-G520 VanDerWaalsContact O-CA 3.28Å; G506-G520 WeakPolarHBondContact O-CA 3.49Å
507V78.4Confident85.2Confident50 Ų5073 Ų7330%0.30344%0.437SS..  trans-140.5140.2175.1-161.90000108.4D511 P513 I519V507-D511 HydrophobicContact CG1-CB 3.48Å; V507-D511 VanDerWaalsContact CG1-CB 3.48Å; V507-P513 HydrophobicContact CG2-CB 4.21Å; V507-P513 HydrophobicContact CG2-CG 3.87Å; V507-I519 HydrophobicContact CG1-CG2 3.67Å; V507-I519 HydrophobicContact CG2-CG2 4.26Å
508E68.9Low85.3Confident130 Ų13066.1 Ų66.161%0.60741%0.412SS*.  trans-97.3135.8-177.3-65.1-178.6172.300112.3
509G69.7Low85.1Confident81 Ų8164.7 Ų64.784%0.83540%0.399SS*.THydrogen-bonded Turntrans81-141.5-179.500000113.6
510S73.7Confident85Confident118 Ų11864.4 Ų64.483%0.82540%0.399SS*.THydrogen-bonded Turntrans-97.114.1-174.559.50000114.2
511D78.9Confident84.9Confident54 Ų5463.7 Ų63.729%0.28939%0.391SS..PPolyproline II helixtrans-75.4137.7-176.8-76.322.9000111.2K445 V507 I519K445-D511 WeakPolarHBondContact CD-OD2 3.32Å; K445-D511 VanDerWaalsContact CE-OD2 3.27Å; K445-D511 WeakPolarHBondContact CE-OD2 3.38Å; K445-D511 IonicContact NZ-OD1 2.71Å; K445-D511 PolarHBondContact NZ-OD1 3.48Å; K445-D511 IonicContact NZ-OD2 2.71Å; K445-D511 PolarHBondContact NZ-OD2 2.83Å; V507-D511 HydrophobicContact CG1-CB 3.48Å; V507-D511 VanDerWaalsContact CG1-CB 3.48Å; D511-I519 HydrophobicContact CB-CG2 4.15Å
512I83.4Confident84.9Confident141 Ų14163 Ų6372%0.72339%0.388SS*.PPolyproline II helixtrans-85.9129.7178.4-58.7173.7000108.9D514 I519I512-D514 PolarHBondContact O-N 2.98Å; I512-I519 WeakPolarHBondContact O-CG2 3.49Å
513P86.6Confident84.9Confident66 Ų6659.5 Ų59.543%0.42937%0.373SS..PPolyproline II helixtrans-59.8132.9175.2-21.631.3000112.2V507 I519 F521V507-P513 HydrophobicContact CG2-CB 4.21Å; V507-P513 HydrophobicContact CG2-CG 3.87Å; P513-I519 VanDerWaalsContact CA-O 3.28Å; P513-I519 WeakPolarHBondContact CA-O 3.21Å; P513-F521 HydrophobicContact CB-CE2 4.05Å
514D89.2Confident85.1Confident43 Ų4358.8 Ų58.823%0.2337%0.37CS..BIsolated β-bridgetrans-148.8116.3-171.9-175-46.2000108.5I512 G516 K517 L518 I519I512-D514 PolarHBondContact O-N 2.98Å; D514-G516 PolarHBondContact OD1-N 2.84Å; D514-K517 HydrophobicContact CB-CB 4.14Å; D514-K517 WeakPolarHBondContact OD1-CB 3.4Å; D514-K517 WeakPolarHBondContact OD1-CG 3.24Å; D514-K517 PolarHBondContact OD1-N 3.24Å; D514-K517 WeakPolarHBondContact OD2-CD 3.23Å; D514-K517 IonicContact OD2-NZ 2.75Å; D514-K517 PolarHBondContact OD2-NZ 2.89Å; D514-L518 CarbonylContact O-C 3.55Å; D514-L518 WeakPolarHBondContact O-CA 3.19Å; D514-L518 PolarHBondContact O-N 2.97Å; D514-I519 HydrophobicContact CB-CB 4.13Å; D514-I519 HydrophobicContact CB-CD1 4.21Å; D514-I519 HydrophobicContact CB-CG1 4.39Å; D514-I519 PolarHBondContact N-O 3.11Å; D514-I519 PolarHBondContact O-N 3.09Å
515D90.1Very high85.3Confident100 Ų10056.8 Ų56.854%0.53535%0.352SS..THydrogen-bonded Turntrans-77.1-42.3-17564.3-28.7000112T500 K517 L518 F521T500-D515 HydrophobicContact CG2-CB 4.32Å; D515-K517 PolarHBondContact O-N 2.86Å; D515-L518 WeakPolarHBondContact O-CD2 3.46Å; D515-L518 PolarHBondContact O-N 3.38Å; D515-F521 HydrophobicContact CB-CD1 3.89Å; D515-F521 HydrophobicContact CB-CD2 4.01Å; D515-F521 HydrophobicContact CB-CE1 3.91Å; D515-F521 HydrophobicContact CB-CE2 4.03Å; D515-F521 HydrophobicContact CB-CG 3.96Å; D515-F521 HydrophobicContact CB-CZ 3.99Å
516G84.5Confident85.5Confident71 Ų7157.5 Ų57.573%0.73235%0.353SS*.THydrogen-bonded Turntrans-61.3-29.5174.500000113.8D514D514-G516 PolarHBondContact OD1-N 2.84Å
517K86.8Confident85.4Confident117 Ų11761.3 Ų61.351%0.50938%0.375SS..THydrogen-bonded Turntrans-96.8-1.3172.6-60.1-172.7-166.983.20113.7R441 D514 D515 I519R441-K517 VanDerWaalsContact CZ-O 3.24Å; R441-K517 PolarHBondContact NE-O 3.37Å; R441-K517 PolarHBondContact NH2-O 2.99Å; D514-K517 HydrophobicContact CB-CB 4.14Å; D514-K517 WeakPolarHBondContact OD1-CB 3.4Å; D514-K517 WeakPolarHBondContact OD1-CG 3.24Å; D514-K517 PolarHBondContact OD1-N 3.24Å; D514-K517 WeakPolarHBondContact OD2-CD 3.23Å; D514-K517 IonicContact OD2-NZ 2.75Å; D514-K517 PolarHBondContact OD2-NZ 2.89Å; D515-K517 PolarHBondContact O-N 2.86Å; K517-I519 VanDerWaalsContact C-N 3.32Å; K517-I519 HydrophobicContact CB-CD1 3.96Å; K517-I519 HydrophobicContact CB-CG1 3.95Å; K517-I519 HydrophobicContact CD-CD1 4.2Å; K517-I519 PolarHBondContact O-N 2.79Å
518L89.6Confident85.8Confident11 Ų1161.9 Ų61.96%0.05838%0.379CS..THydrogen-bonded Turntrans5145.4-174.5-60.3173.4000113.8R439 R441 L447 T500 D514 D515 F521 Q523R439-L518 HydrophobicContact CB-CD1 4.27Å; R439-L518 HydrophobicContact CG-CD1 3.58Å; R441-L518 VanDerWaalsContact CD-O 3.29Å; R441-L518 WeakPolarHBondContact CD-O 3.43Å; R441-L518 WeakPolarHBondContact CG-O 3.26Å; R441-L518 PolarHBondContact NE-O 2.68Å; L447-L518 HydrophobicContact CD2-CB 4.11Å; L447-L518 HydrophobicContact CD2-CD1 4.2Å; T500-L518 HydrophobicContact CG2-CD2 3.77Å; D514-L518 CarbonylContact O-C 3.55Å; D514-L518 WeakPolarHBondContact O-CA 3.19Å; D514-L518 PolarHBondContact O-N 2.97Å; D515-L518 WeakPolarHBondContact O-CD2 3.46Å; D515-L518 PolarHBondContact O-N 3.38Å; L518-F521 HydrophobicContact CD2-CB 3.86Å; L518-Q523 HydrophobicContact CD1-CB 4.07Å; L518-Q523 HydrophobicContact CD2-CB 4.07Å
519I87.8Confident86.7Confident31 Ų3158.3 Ų58.316%0.15937%0.367CS..BIsolated β-bridgetrans-94.7101.3172.2-58.3175000107.3V507 D511 I512 P513 D514 K517 F521V507-I519 HydrophobicContact CG1-CG2 3.67Å; V507-I519 HydrophobicContact CG2-CG2 4.26Å; D511-I519 HydrophobicContact CB-CG2 4.15Å; I512-I519 WeakPolarHBondContact O-CG2 3.49Å; P513-I519 VanDerWaalsContact CA-O 3.28Å; P513-I519 WeakPolarHBondContact CA-O 3.21Å; D514-I519 HydrophobicContact CB-CB 4.13Å; D514-I519 HydrophobicContact CB-CD1 4.21Å; D514-I519 HydrophobicContact CB-CG1 4.39Å; D514-I519 PolarHBondContact N-O 3.11Å; D514-I519 PolarHBondContact O-N 3.09Å; K517-I519 VanDerWaalsContact C-N 3.32Å; K517-I519 HydrophobicContact CB-CD1 3.96Å; K517-I519 HydrophobicContact CB-CG1 3.95Å; K517-I519 HydrophobicContact CD-CD1 4.2Å; K517-I519 PolarHBondContact O-N 2.79Å; I519-F521 VanDerWaalsContact C-N 3.32Å; I519-F521 WeakPolarHBondContact O-CD2 3.28Å
520G88.1Confident87.6Confident8 Ų857 Ų578%0.08234%0.341CS..SBendtrans78.115-171.600000114.9K502 L503 G506K502-G520 WeakPolarHBondContact CG-O 3.39Å; L503-G520 PolarHBondContact N-O 3.03Å; G506-G520 VanDerWaalsContact O-CA 3.28Å; G506-G520 WeakPolarHBondContact O-CA 3.49Å
521F94.1Very high88.4Confident41 Ų4153.4 Ų53.418%0.1831%0.312CS..EExtended strand (participates in β ladder)trans-131.8156.5175-64.5-102.6000109.4T500 F501 K502 P513 D515 L518 I519T500-F521 HydrophobicContact CG2-CB 4.22Å; T500-F521 HydrophobicContact CG2-CD1 4.36Å; F501-F521 CarbonylContact O-C 3.56Å; F501-F521 VanDerWaalsContact O-CA 3.22Å; F501-F521 WeakPolarHBondContact O-CA 3.39Å; F501-F521 WeakPolarHBondContact O-CB 3.41Å; K502-F521 VanDerWaalsContact CA-CD1 3.5Å; K502-F521 HydrophobicContact CB-CD1 3.84Å; K502-F521 HydrophobicContact CB-CE1 3.7Å; K502-F521 HydrophobicContact CB-CZ 4.36Å; K502-F521 HydrophobicContact CG-CD1 4.33Å; K502-F521 HydrophobicContact CG-CE1 4.08Å; K502-F521 HydrophobicContact CG-CZ 4.27Å; P513-F521 HydrophobicContact CB-CE2 4.05Å; D515-F521 HydrophobicContact CB-CD1 3.89Å; D515-F521 HydrophobicContact CB-CD2 4.01Å; D515-F521 HydrophobicContact CB-CE1 3.91Å; D515-F521 HydrophobicContact CB-CE2 4.03Å; D515-F521 HydrophobicContact CB-CG 3.96Å; D515-F521 HydrophobicContact CB-CZ 3.99Å; L518-F521 HydrophobicContact CD2-CB 3.86Å; I519-F521 VanDerWaalsContact C-N 3.32Å; I519-F521 WeakPolarHBondContact O-CD2 3.28Å
522A93.7Very high89Confident0 Ų053.4 Ų53.40%031%0.314CS..EExtended strand (participates in β ladder)trans-124.7158.2165.600000109.7L438 R439 L440 T500 F501 L503L438-A522 HydrophobicContact CD1-CB 3.95Å; R439-A522 CarbonylContact O-C 3.56Å; R439-A522 VanDerWaalsContact O-CA 3.31Å; R439-A522 WeakPolarHBondContact O-CA 3.29Å; L440-A522 HydrophobicContact CB-CB 3.71Å; T500-A522 CarbonylContact C-O 3.56Å; T500-A522 WeakPolarHBondContact CA-O 3.28Å; F501-A522 HydrophobicContact CE1-CB 4.35Å; F501-A522 HydrophobicContact CE2-CB 3.95Å; F501-A522 HydrophobicContact CZ-CB 3.83Å; F501-A522 PolarHBondContact N-O 3.43Å; F501-A522 PolarHBondContact O-N 2.9Å; L503-A522 HydrophobicContact CD1-CB 4.44Å; L503-A522 HydrophobicContact CD2-CB 3.82Å; L503-A522 HydrophobicContact CG-CB 4.29Å
523Q94.5Very high89.4Confident50 Ų5047.5 Ų47.523%0.23429%0.286CS..EExtended strand (participates in β ladder)trans-122.3122.2174.4173.6169.487.800108.6L438 R439 V499 T500 L518L438-Q523 CarbonylContact C-O 3.46Å; L438-Q523 WeakPolarHBondContact CA-O 3.4Å; R439-Q523 HydrophobicContact CB-CB 4.5Å; R439-Q523 PolarHBondContact N-O 3.17Å; R439-Q523 PolarHBondContact O-N 3.05Å; V499-Q523 WeakPolarHBondContact O-CA 3.36Å; T500-Q523 PolarHBondContact OG1-NE2 2.57Å; L518-Q523 HydrophobicContact CD1-CB 4.07Å; L518-Q523 HydrophobicContact CD2-CB 4.07Å
524L93.6Very high89.6Confident1 Ų146.2 Ų46.21%0.00528%0.276CS..EExtended strand (participates in β ladder)trans-103.4130169.6-174.673.6000108.5L436 V437 L438 F452 L486 I489 S498 V499 F501L436-L524 HydrophobicContact CB-CD1 4.47Å; V437-L524 CarbonylContact O-C 3.49Å; V437-L524 WeakPolarHBondContact O-CA 3.22Å; L438-L524 HydrophobicContact CB-CD1 3.82Å; L438-L524 HydrophobicContact CD1-CB 4.19Å; L438-L524 HydrophobicContact CD1-CD1 4.2Å; F452-L524 HydrophobicContact CE1-CD1 3.96Å; F452-L524 HydrophobicContact CZ-CD1 3.73Å; L486-L524 VanDerWaalsContact CA-CD2 3.48Å; L486-L524 HydrophobicContact CB-CD2 3.89Å; L486-L524 HydrophobicContact CD1-CD2 3.9Å; I489-L524 HydrophobicContact CB-CD2 4.43Å; I489-L524 HydrophobicContact CD1-CB 3.97Å; I489-L524 HydrophobicContact CD1-CD2 3.76Å; I489-L524 HydrophobicContact CD1-CG 3.76Å; I489-L524 VanDerWaalsContact CD1-O 3.23Å; I489-L524 WeakPolarHBondContact CD1-O 3.33Å; I489-L524 HydrophobicContact CG1-CD2 4.24Å; S498-L524 CarbonylContact C-O 3.56Å; S498-L524 WeakPolarHBondContact CA-O 3.46Å; V499-L524 PolarHBondContact N-O 3.19Å; V499-L524 PolarHBondContact O-N 3.28Å; F501-L524 HydrophobicContact CE1-CB 3.95Å
525S92.6Very high89.6Confident27 Ų2746.5 Ų46.519%0.18928%0.28CS..EExtended strand (participates in β ladder)trans-136.5158.9177.356.80000112.4L436 V437 R497L436-S525 CarbonylContact C-O 3.56Å; L436-S525 VanDerWaalsContact CA-O 3.28Å; L436-S525 WeakPolarHBondContact CA-O 3.41Å; V437-S525 PolarHBondContact N-O 2.88Å; V437-S525 PolarHBondContact O-N 3.42Å; R497-S525 CarbonylContact O-C 3.56Å; R497-S525 VanDerWaalsContact O-CA 3.28Å; R497-S525 WeakPolarHBondContact O-CA 3.33Å; R497-S525 WeakPolarHBondContact O-CB 3.47Å
526I89.5Confident89.6Confident40 Ų4042 Ų4221%0.20526%0.258CS..EExtended strand (participates in β ladder)trans-82.9136.1167.3-58.1175.6000107.9I434 S435 L436 I489 P493 R497I434-I526 HydrophobicContact CG2-CD1 4.29Å; I434-I526 HydrophobicContact CG2-CG1 4.15Å; I434-I526 HydrophobicContact CG2-CG2 4.17Å; S435-I526 WeakPolarHBondContact O-CA 3.3Å; L436-I526 HydrophobicContact CD2-CG1 3.88Å; I489-I526 HydrophobicContact CG2-CD1 3.8Å; I489-I526 HydrophobicContact CG2-CG1 3.58Å; P493-I526 HydrophobicContact CB-CD1 3.49Å; P493-I526 VanDerWaalsContact CB-CD1 3.49Å; P493-I526 VanDerWaalsContact O-CD1 3.27Å; P493-I526 WeakPolarHBondContact O-CD1 3.29Å; R497-I526 PolarHBondContact O-N 3.41Å
527S80.1Confident90Very high107 Ų10739.4 Ų39.475%0.74822%0.215SC*.  trans-86.40-180-165.10000114S435 R451S435-S527 PolarHBondContact O-N 3.4Å; R451-S527 PolarHBondContact NH1-OG 3.24Å

Retrieved 527 of 527 residues in 3608.7 ms (Link to these results)

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