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Serine/threonine-protein kinase OSR1

Effector serine/threonine-protein kinase component of the WNK-SPAK/OSR1 kinase cascade, which is involved in various processes, such as ion transport, response to hypertonic stress and blood pressure (By similarity). Specifically recognizes and binds proteins with a RFXV motif (By similarity). Acts downstream of WNK kinases (WNK1, WNK2, WNK3 or WNK4): following activation by WNK kinases, catalyzes phosphorylation of ion cotransporters, such as SLC12A1/NKCC2, SLC12A2/NKCC1, SLC12A3/NCC, SLC12A5/KCC2 or SLC12A6/KCC3, regulating their activity (By similarity). Mediates regulatory volume increase in response to hyperosmotic stress by catalyzing phosphorylation of ion cotransporters SLC12A1/NKCC2, SLC12A2/NKCC1 and SLC12A6/KCC3 downstream of WNK1 and WNK3 kinases (By similarity). Phosphorylation of Na-K-Cl cotransporters SLC12A2/NKCC1 and SLC12A2/NKCC1 promote their activation and ion influx; simultaneously, phosphorylation of K-Cl cotransporters SLC12A5/KCC2 and SLC12A6/KCC3 inhibit their activity, blocking ion efflux (By similarity). Acts as a regulator of NaCl reabsorption in the distal nephron by mediating phosphorylation and activation of the thiazide-sensitive Na-Cl cotransporter SLC12A3/NCC in distal convoluted tubule cells of kidney downstream of WNK4 (By similarity). Also acts as a regulator of angiogenesis in endothelial cells downstream of WNK1 (By similarity). Acts as an activator of inward rectifier potassium channels KCNJ2/Kir2.1 and KCNJ4/Kir2.3 downstream of WNK1: recognizes and binds the RXFXV/I variant motif on KCNJ2/Kir2.1 and KCNJ4/Kir2.3 and regulates their localization to the cell membrane without mediating their phosphorylation (By similarity). Phosphorylates RELL1, RELL2, RELT and PAK1. Phosphorylates PLSCR1 in the presence of RELT (By similarity).

AlphaFold DB , UniProt , Accession Q5R495, Species PONAB (Pongo abelii, Sumatran orangutan), 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 2653.1 ms (Link to these results)