A0A087Y3Q1_POEFO Loading...

Large ribosomal subunit protein eL6

Component of the large ribosomal subunit. The ribosome is a large ribonucleoprotein complex responsible for the synthesis of proteins in the cell.

AlphaFold DB (A0A3B3VTL0), UniProt , Accession A0A087Y3Q1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 259 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
1M38.4Very low47.4Very low247 Ų247163.6 Ų163.6100%1.21788%0.88SS**  0112.40-68-166.5173.400107.8
2A37.6Very low48.7Very low109 Ų109167.2 Ų167.290%0.90188%0.881SS**  trans-92.4111.7-176.600000109.5G4A2-G4 PolarHBondContact O-N 3.09Å
3E40.6Very low50.6Low200 Ų200170 Ų17094%0.93588%0.881SS**  trans-73.5111179.1-141176.5177.400109.4D5E3-D5 PolarHBondContact O-N 2.85Å
4G42.1Very low52.6Low66 Ų66168.9 Ų168.968%0.6887%0.87SS**  trans-71.9114.5-176.800000112.1A2 K6A2-G4 PolarHBondContact O-N 3.09Å; G4-K6 PolarHBondContact O-N 3.3Å
5D43.9Very low54.7Low160 Ų160161.9 Ų161.986%0.85686%0.855SS**  trans-64.192.5177.5-145.2-12.7000111.2E3 K7E3-D5 PolarHBondContact O-N 2.85Å; D5-K7 PolarHBondContact O-N 3.16Å
6K48.2Very low56.7Low197 Ų197158.5 Ų158.586%0.85785%0.849SS**  trans-69.589176.3-78.1179.7-179.2170.30109.8G4 K8G4-K6 PolarHBondContact O-N 3.3Å; K6-K8 PolarHBondContact O-N 3.21Å
7K50.3Low58.6Low202 Ų202153.5 Ų153.588%0.87882%0.815SS**  trans-48.6106167.1-96.6175.3177.71650110.7D5 S9D5-K7 PolarHBondContact O-N 3.16Å; K7-S9 PolarHBondContact O-N 3.44Å; K7-S9 VanDerWaalsContact O-N 3.12Å
8K48.1Very low60.5Low207 Ų207146.6 Ų146.690%0.978%0.779SS**PPolyproline II helixtrans-54117.1170.9-78.3176.4178.2169.50109.3K6 A10K6-K8 PolarHBondContact O-N 3.21Å; K8-A10 PolarHBondContact O-N 2.81Å
9S55.2Low62.3Low114 Ų114142.3 Ų142.380%0.79776%0.76SS**PPolyproline II helixtrans-59.2127.2176.270.20000110.1K7 K11K7-S9 PolarHBondContact O-N 3.44Å; K7-S9 VanDerWaalsContact O-N 3.12Å; S9-K11 PolarHBondContact O-N 2.91Å; S9-K11 VanDerWaalsContact O-N 3.16Å
10A61.2Low63.9Low92 Ų92140.9 Ų140.976%0.7676%0.756SS**PPolyproline II helixtrans-60.6120.4178.300000109.4K8 K12K8-A10 PolarHBondContact O-N 2.81Å; A10-K12 PolarHBondContact O-N 2.87Å
11K56Low65.4Low206 Ų206140.4 Ų140.490%0.89675%0.753SS**  trans-52.5112.8174.3-80.6-179.6177.5175.30108.9S9 K13S9-K11 PolarHBondContact O-N 2.91Å; S9-K11 VanDerWaalsContact O-N 3.16Å; K11-K13 PolarHBondContact O-N 2.93Å; K11-K13 VanDerWaalsContact O-N 3.15Å
12K62.6Low68.1Low206 Ų206131 Ų13190%0.89671%0.714SS**PPolyproline II helixtrans-56.7120.7177.2-72.9-179.6179.4174.20108.5A10 H14A10-K12 PolarHBondContact O-N 2.87Å; K12-H14 PolarHBondContact O-N 2.98Å
13K73.3Confident70.7Confident204 Ų204137.5 Ų137.589%0.88772%0.715SS**PPolyproline II helixtrans-56133171.1-70.5-178.1178.9177.90108.4K11 G15K11-K13 PolarHBondContact O-N 2.93Å; K11-K13 VanDerWaalsContact O-N 3.15Å; K13-G15 PolarHBondContact O-N 3.12Å
14H79.6Confident73.2Confident155 Ų155132 Ų13272%0.71871%0.713SS**PPolyproline II helixtrans-56.5128.7177.9-93-60.5000110.7K12 R17K12-H14 PolarHBondContact O-N 2.98Å; H14-R17 PolarHBondContact CD2-NH2 3.32Å; H14-R17 PolarHBondContact NE2-NH2 2.91Å
15G83.2Confident75.8Confident63 Ų63133.7 Ų133.765%0.64971%0.705SS**  trans-70.6177.8169.200000112.8K13 R17K13-G15 PolarHBondContact O-N 3.12Å; G15-R17 PolarHBondContact O-N 2.97Å
16S86.4Confident78.3Confident108 Ų108127.7 Ų127.776%0.75568%0.68SS**  trans-59.2127174.4-178.90000110.5N18S16-N18 VanDerWaalsContact C-N 3.26Å; S16-N18 PolarHBondContact OG-N 3.48Å; S16-N18 PolarHBondContact OG-O 3.34Å
17R89.1Confident80.6Confident74 Ų74125.8 Ų125.828%0.27967%0.668SS.*SBendtrans-84.1-1.4174.9-61.8-176.7-177.5-170.8-1.3113.2H14 G15 M33 R36H14-R17 PolarHBondContact CD2-NH2 3.32Å; H14-R17 PolarHBondContact NE2-NH2 2.91Å; G15-R17 PolarHBondContact O-N 2.97Å; R17-M33 HydrophobicContact CB-CE 4.06Å; R17-R36 PolarHBondContact NH1-O 3.36Å
18N93.8Very high82.7Confident29 Ų29119.2 Ų119.216%0.15564%0.638CS.*SBendtrans-116.3108.8174.6-157.5-7.3000109.6S16 R27 Y28 M33S16-N18 VanDerWaalsContact C-N 3.26Å; S16-N18 PolarHBondContact OG-N 3.48Å; S16-N18 PolarHBondContact OG-O 3.34Å; N18-R27 PolarHBondContact OD1-N 3.49Å; N18-Y28 PolarHBondContact ND2-O 2.96Å; N18-Y28 WeakPolarHBondContact OD1-CD2 3.45Å; N18-Y28 PolarHBondContact OD1-N 3.43Å; N18-M33 HydrophobicContact CB-CE 3.89Å; N18-M33 HydrophobicContact CB-CG 4.3Å; N18-M33 HydrophobicContact CB-SD 3.6Å; N18-M33 VanDerWaalsContact CB-SD 3.6Å
19P94Very high85Confident65 Ų65112.7 Ų112.742%0.42262%0.619SS.*  trans-66.7152.8172.728.5-30.7000110.2R27 Y28P19-R27 HydrophobicContact CG-CB 3.83Å; P19-R27 HydrophobicContact CG-CG 4.47Å; P19-R27 WeakPolarHBondContact O-CB 3.4Å; P19-R27 PolarHBondContact O-N 3.05Å; P19-Y28 VanDerWaalsContact CD-CE2 3.49Å; P19-Y28 HydrophobicContact CG-CE2 4.08Å
20V94.8Very high86.9Confident113 Ų113118.5 Ų118.569%0.68562%0.623SS**EExtended strand (participates in β ladder)trans-83.5127-177.5-178.80000108.8A22V20-A22 WeakPolarHBondContact CG1-O 3.43Å
21L94.6Very high88.6Confident132 Ų132118.4 Ų118.469%0.69162%0.616SS**EExtended strand (participates in β ladder)trans-85.4-50.3171.9-177.369.8000110I25L21-I25 PolarHBondContact N-O 3.2Å
22A94.7Very high90.4Very high48 Ų48110.1 Ų110.140%0.39759%0.587SS.*EExtended strand (participates in β ladder)trans-143.5167.4173.800000109.3V20 G24 I25V20-A22 WeakPolarHBondContact CG1-O 3.43Å; A22-G24 PolarHBondContact O-N 3.05Å; A22-I25 PolarHBondContact N-O 3.18Å; A22-I25 PolarHBondContact O-N 3.12Å
23R93.4Very high92Very high247 Ų247101.8 Ų101.893%0.93255%0.551SS**THydrogen-bonded Turntrans-58.9113.6-179.1-178.6-178.2174.9-171-5.3110.4
24G93.8Very high92.9Very high85 Ų8597.6 Ų97.688%0.87653%0.531SS*.THydrogen-bonded Turntrans95.9-7.9-179.200000114.5A22A22-G24 PolarHBondContact O-N 3.05Å
25I95.8Very high93.6Very high101 Ų10192.8 Ų92.852%0.51852%0.518SS..EExtended strand (participates in β ladder)trans-122120.9-176.1-54.2176.9000109.4L21 A22L21-I25 PolarHBondContact N-O 3.2Å; A22-I25 PolarHBondContact N-O 3.18Å; A22-I25 PolarHBondContact O-N 3.12Å
26G95.8Very high94Very high33 Ų3395.8 Ų95.834%0.3451%0.509SS..EExtended strand (participates in β ladder)trans-83.5154.2172.300000111.6
27R96.1Very high94.2Very high157 Ų15796.8 Ų96.859%0.59250%0.497SS*.SBendtrans-65.4-40.8178.8-173.4-179.1-172.2-91.1-0.5112.9N18 P19N18-R27 PolarHBondContact OD1-N 3.49Å; P19-R27 HydrophobicContact CG-CB 3.83Å; P19-R27 HydrophobicContact CG-CG 4.47Å; P19-R27 WeakPolarHBondContact O-CB 3.4Å; P19-R27 PolarHBondContact O-N 3.05Å
28Y96.4Very high94.3Very high65 Ų6594.4 Ų94.426%0.25549%0.493SS..SBendtrans-95.5141.5-176.5-60.4-65.4000111.8N18 P19 M33N18-Y28 PolarHBondContact ND2-O 2.96Å; N18-Y28 WeakPolarHBondContact OD1-CD2 3.45Å; N18-Y28 PolarHBondContact OD1-N 3.43Å; P19-Y28 VanDerWaalsContact CD-CE2 3.49Å; P19-Y28 HydrophobicContact CG-CE2 4.08Å; Y28-M33 HydrophobicContact CD2-SD 4.26Å
29S95.8Very high94.1Very high70 Ų7096.1 Ų96.149%0.4950%0.501SS..  trans-67.8170.1172.770.20000112.5S31 M33S29-S31 PolarHBondContact O-N 3.12Å; S29-S31 PolarHBondContact OG-OG 3.29Å; S29-M33 WeakPolarHBondContact O-CB 3.37Å; S29-M33 WeakPolarHBondContact O-CG 3.2Å; S29-M33 PolarHBondContact O-N 3.22Å
30R94.8Very high93.8Very high236 Ų23698.4 Ų98.489%0.89150%0.502SS*.Hα-helixtrans-62-43-178.1-172.1175.1177.9175.1-1.9112.8M33 Y34R30-M33 PolarHBondContact O-N 3.39Å; R30-Y34 WeakPolarHBondContact O-CB 3.48Å; R30-Y34 PolarHBondContact O-N 3.34Å
31S95.8Very high93.6Very high89 Ų89100.7 Ų100.762%0.62250%0.502SS*.Hα-helixtrans-67.3-46.4179.352.10000111.9S29 M33 Y34 A35S29-S31 PolarHBondContact O-N 3.12Å; S29-S31 PolarHBondContact OG-OG 3.29Å; S31-M33 VanDerWaalsContact C-N 3.3Å; S31-M33 PolarHBondContact O-N 3.36Å; S31-Y34 WeakPolarHBondContact O-CB 3.46Å; S31-Y34 PolarHBondContact O-N 3.07Å; S31-Y34 VanDerWaalsContact O-N 3.12Å; S31-A35 PolarHBondContact O-N 2.87Å
32A95.4Very high93.1Very high33 Ų33101.5 Ų101.527%0.27350%0.496SS..Hα-helixtrans-58.3-43.5174.100000111.3Y34 A35 R36A32-Y34 PolarHBondContact O-N 3.41Å; A32-A35 PolarHBondContact O-N 2.87Å; A32-R36 WeakPolarHBondContact O-CB 3.4Å; A32-R36 WeakPolarHBondContact O-CG 3.39Å; A32-R36 PolarHBondContact O-N 3.05Å
33M94.9Very high92.4Very high30 Ų30106.7 Ų106.715%0.14851%0.51CS..Hα-helixtrans-66.3-34.3176.1-81.1-60.6-62.100113.6R17 N18 Y28 S29 R30 S31 R37R17-M33 HydrophobicContact CB-CE 4.06Å; N18-M33 HydrophobicContact CB-CE 3.89Å; N18-M33 HydrophobicContact CB-CG 4.3Å; N18-M33 HydrophobicContact CB-SD 3.6Å; N18-M33 VanDerWaalsContact CB-SD 3.6Å; Y28-M33 HydrophobicContact CD2-SD 4.26Å; S29-M33 WeakPolarHBondContact O-CB 3.37Å; S29-M33 WeakPolarHBondContact O-CG 3.2Å; S29-M33 PolarHBondContact O-N 3.22Å; R30-M33 PolarHBondContact O-N 3.39Å; S31-M33 VanDerWaalsContact C-N 3.3Å; S31-M33 PolarHBondContact O-N 3.36Å; M33-R37 HydrophobicContact CE-CG 4.14Å; M33-R37 VanDerWaalsContact O-CB 3.27Å; M33-R37 WeakPolarHBondContact O-CB 3.49Å; M33-R37 VanDerWaalsContact O-CG 3.28Å; M33-R37 WeakPolarHBondContact O-CG 3.48Å; M33-R37 PolarHBondContact O-N 2.93Å
34Y93.3Very high91.5Very high116 Ų116100 Ų10046%0.45550%0.501SS..Hα-helixtrans-61.5-48174.8178.7-91.9000111.2R30 S31 A32 R37 A38 M39 Y40R30-Y34 WeakPolarHBondContact O-CB 3.48Å; R30-Y34 PolarHBondContact O-N 3.34Å; S31-Y34 WeakPolarHBondContact O-CB 3.46Å; S31-Y34 PolarHBondContact O-N 3.07Å; S31-Y34 VanDerWaalsContact O-N 3.12Å; A32-Y34 PolarHBondContact O-N 3.41Å; Y34-R37 PolarHBondContact O-N 3.48Å; Y34-A38 PolarHBondContact O-N 2.86Å; Y34-M39 HydrophobicContact CD2-CB 3.49Å; Y34-M39 VanDerWaalsContact CD2-CB 3.49Å; Y34-M39 HydrophobicContact CD2-CG 4.11Å; Y34-M39 HydrophobicContact CE2-CB 3.38Å; Y34-M39 HydrophobicContact CE2-CG 4.39Å; Y34-M39 HydrophobicContact CG-CB 4.11Å; Y34-M39 PolarHBondContact O-N 3.46Å; Y34-M39 VanDerWaalsContact O-N 3.13Å; Y34-Y40 WeakPolarHBondContact OH-CA 3.29Å
35A93.6Very high90.3Very high54 Ų54105.3 Ų105.345%0.44650%0.5SS..Hα-helixtrans-63.3-48.1175.300000112S31 A32 R37 A38S31-A35 PolarHBondContact O-N 2.87Å; A32-A35 PolarHBondContact O-N 2.87Å; A35-R37 VanDerWaalsContact C-N 3.28Å; A35-R37 PolarHBondContact O-N 3.06Å; A35-A38 WeakPolarHBondContact O-CA 3.06Å; A35-A38 PolarHBondContact O-N 2.95Å
36R91.3Very high88.5Confident126 Ų126106.6 Ų106.648%0.47551%0.513SS..Hα-helixtrans-63.3-29.1178.6-70.3173.375.381.42.8113.9R17 A32R17-R36 PolarHBondContact NH1-O 3.36Å; A32-R36 WeakPolarHBondContact O-CB 3.4Å; A32-R36 WeakPolarHBondContact O-CG 3.39Å; A32-R36 PolarHBondContact O-N 3.05Å
37R90.6Very high86.6Confident129 Ų129109.4 Ų109.449%0.48752%0.523SS..THydrogen-bonded Turntrans-82.2-5.6172.9-73.3179.869.7178.21.5112.6M33 Y34 A35 M39M33-R37 HydrophobicContact CE-CG 4.14Å; M33-R37 VanDerWaalsContact O-CB 3.27Å; M33-R37 WeakPolarHBondContact O-CB 3.49Å; M33-R37 VanDerWaalsContact O-CG 3.28Å; M33-R37 WeakPolarHBondContact O-CG 3.48Å; M33-R37 PolarHBondContact O-N 2.93Å; Y34-R37 PolarHBondContact O-N 3.48Å; A35-R37 VanDerWaalsContact C-N 3.28Å; A35-R37 PolarHBondContact O-N 3.06Å; R37-M39 HydrophobicContact CB-CG 3.69Å; R37-M39 HydrophobicContact CB-SD 4.22Å; R37-M39 PolarHBondContact O-N 3.29Å
38A91.9Very high84.7Confident24 Ų24110.1 Ų110.120%0.19853%0.533CS..THydrogen-bonded Turntrans50.837.1-172.800000112.1Y34 A35 Y40 K41 R42Y34-A38 PolarHBondContact O-N 2.86Å; A35-A38 WeakPolarHBondContact O-CA 3.06Å; A35-A38 PolarHBondContact O-N 2.95Å; A38-Y40 HydrophobicContact CB-CE1 4.12Å; A38-Y40 PolarHBondContact O-N 3.11Å; A38-K41 PolarHBondContact O-N 3.23Å; A38-R42 WeakPolarHBondContact O-CG 3.43Å; A38-R42 PolarHBondContact O-N 3.11Å
39M89.4Confident82.6Confident66 Ų66114 Ų11433%0.32556%0.564SS.*THydrogen-bonded Turntrans-62.5-27.1-177.1-70.5-62.3-60.500111.9Y34 R37 K41 R42Y34-M39 HydrophobicContact CD2-CB 3.49Å; Y34-M39 VanDerWaalsContact CD2-CB 3.49Å; Y34-M39 HydrophobicContact CD2-CG 4.11Å; Y34-M39 HydrophobicContact CE2-CB 3.38Å; Y34-M39 HydrophobicContact CE2-CG 4.39Å; Y34-M39 HydrophobicContact CG-CB 4.11Å; Y34-M39 PolarHBondContact O-N 3.46Å; Y34-M39 VanDerWaalsContact O-N 3.13Å; R37-M39 HydrophobicContact CB-CG 3.69Å; R37-M39 HydrophobicContact CB-SD 4.22Å; R37-M39 PolarHBondContact O-N 3.29Å; M39-K41 VanDerWaalsContact C-N 3.29Å; M39-K41 PolarHBondContact O-N 3.26Å; M39-R42 CarbonylContact O-C 3.55Å; M39-R42 PolarHBondContact O-N 2.97Å
40Y88.4Confident80.7Confident113 Ų113120 Ų12044%0.44358%0.581SS.*THydrogen-bonded Turntrans-61.9-32.1174.764.1-85000113.6Y34 A38Y34-Y40 WeakPolarHBondContact OH-CA 3.29Å; A38-Y40 HydrophobicContact CB-CE1 4.12Å; A38-Y40 PolarHBondContact O-N 3.11Å
41K90.2Very high78.7Confident160 Ų160114 Ų11470%0.69657%0.566SS**THydrogen-bonded Turntrans-87.8-28.9173-71.3175.7-178.1-172.60112.3A38 M39 K43A38-K41 PolarHBondContact O-N 3.23Å; M39-K41 VanDerWaalsContact C-N 3.29Å; M39-K41 PolarHBondContact O-N 3.26Å; K41-K43 VanDerWaalsContact C-N 3.28Å; K41-K43 PolarHBondContact O-N 3.21Å
42R83.4Confident77Confident149 Ų149118.2 Ų118.256%0.56258%0.576SS**  trans-93.749.7-178.7-61.6176.4179.7-169-4.1111.3A38 M39 S44A38-R42 WeakPolarHBondContact O-CG 3.43Å; A38-R42 PolarHBondContact O-N 3.11Å; M39-R42 CarbonylContact O-C 3.55Å; M39-R42 PolarHBondContact O-N 2.97Å; R42-S44 PolarHBondContact O-N 2.85Å
43K79.8Confident75.3Confident157 Ų157125.8 Ų125.868%0.68360%0.602SS**  trans-72.5114.1167.4-64.3-178.2-176.9-178.70106.5K41 K45K41-K43 VanDerWaalsContact C-N 3.28Å; K41-K43 PolarHBondContact O-N 3.21Å; K43-K45 PolarHBondContact O-N 3.41Å; K43-K45 VanDerWaalsContact O-N 3.09Å
44S75Confident73.5Confident106 Ų106133.8 Ų133.874%0.74164%0.637SS**  trans-62.1113.1164.147.20000106.2R42 T46R42-S44 PolarHBondContact O-N 2.85Å; S44-T46 PolarHBondContact O-N 2.89Å
45K67.8Low72.1Confident198 Ų198135.9 Ų135.986%0.86165%0.654SS**  trans-55111.9160.4-73.2-175.1177.8-175.20104.6K43 T47K43-K45 PolarHBondContact O-N 3.41Å; K43-K45 VanDerWaalsContact O-N 3.09Å; K45-T47 PolarHBondContact O-N 2.97Å
46T58.5Low70.8Confident128 Ų128142.4 Ų142.479%0.78567%0.672SS**  trans-59.699.9169.3-34.80000103.8S44 E48S44-T46 PolarHBondContact O-N 2.89Å; T46-E48 PolarHBondContact O-N 2.83Å
47T56.9Low69.8Low92 Ų92144.1 Ų144.156%0.56469%0.685SS**  trans-52.6127.7164.236.40000106K45 I51K45-T47 PolarHBondContact O-N 2.97Å; T47-I51 VanDerWaalsContact CB-CD1 3.41Å; T47-I51 HydrophobicContact CG2-CD1 3.81Å; T47-I51 WeakPolarHBondContact OG1-CD1 3.35Å
48E56.4Low69.2Low171 Ų171146.3 Ų146.380%0.79970%0.699SS**  trans-37145.6178.3-65.8162.3-175.400110.9T46 K50 I51T46-E48 PolarHBondContact O-N 2.83Å; E48-K50 PolarHBondContact O-N 3.03Å; E48-I51 PolarHBondContact O-N 2.79Å
49T52.1Low68.7Low147 Ų147151.2 Ų151.290%0.90273%0.728SS**THydrogen-bonded Turntrans-59.419.9-168.337.80000116.4
50K54.9Low68.5Low196 Ų196155.2 Ų155.285%0.85274%0.744SS**THydrogen-bonded Turntrans-135.842.5174-75.4-176175.5177.20113.2E48 E52E48-K50 PolarHBondContact O-N 3.03Å; K50-E52 VanDerWaalsContact C-N 3.3Å; K50-E52 PolarHBondContact O-N 3.16Å
51I52.4Low68.4Low110 Ų110153.4 Ų153.456%0.56475%0.753SS**  trans-69.5102148.9-63.8-172.1000105.7T47 E48 K53T47-I51 VanDerWaalsContact CB-CD1 3.41Å; T47-I51 HydrophobicContact CG2-CD1 3.81Å; T47-I51 WeakPolarHBondContact OG1-CD1 3.35Å; E48-I51 PolarHBondContact O-N 2.79Å; I51-K53 PolarHBondContact O-N 2.6Å
52E60.7Low68.5Low177 Ų177148.8 Ų148.883%0.82774%0.738SS**  trans-40.7116.9166.2-67.2-176.8163.200107.7K50 K54K50-E52 VanDerWaalsContact C-N 3.3Å; K50-E52 PolarHBondContact O-N 3.16Å; E52-K54 PolarHBondContact O-N 2.88Å
53K59.8Low68.9Low192 Ų192144.6 Ų144.684%0.83573%0.728SS**  trans-44.8112.1179.1-78.5172.9178.6166.40106.3I51 I55I51-K53 PolarHBondContact O-N 2.6Å; K53-I55 VanDerWaalsContact C-N 3.3Å; K53-I55 WeakPolarHBondContact O-CG1 3.35Å; K53-I55 PolarHBondContact O-N 3.49Å
54K56.7Low69.4Low199 Ų199141.4 Ų141.487%0.86572%0.722SS**  trans-48105.9170.7-91.7-173.8175.4-178.50105.8E52 K56E52-K54 PolarHBondContact O-N 2.88Å; K54-K56 VanDerWaalsContact C-N 3.28Å; K54-K56 PolarHBondContact O-N 2.96Å
55I63.2Low70.1Confident159 Ų159142.1 Ų142.182%0.81571%0.712SS**  trans-65.8101-174.8-60.7173.3000103.2K53 E57K53-I55 VanDerWaalsContact C-N 3.3Å; K53-I55 WeakPolarHBondContact O-CG1 3.35Å; K53-I55 PolarHBondContact O-N 3.49Å; I55-E57 PolarHBondContact O-N 3.22Å
56K67.4Low71Confident192 Ų192138.6 Ų138.684%0.83571%0.707SS**  trans-55.2116.1169.3-95.6-177.6173.1178.50105.2K54 K58K54-K56 VanDerWaalsContact C-N 3.28Å; K54-K56 PolarHBondContact O-N 2.96Å; K56-K58 PolarHBondContact O-N 2.7Å
57E71.3Confident72.2Confident161 Ų161134.3 Ų134.375%0.75268%0.68SS**  trans-51.2109.9177.7-165.6-177.9171.600107.3I55I55-E57 PolarHBondContact O-N 3.22Å
58K77.1Confident73.5Confident176 Ų176133 Ų13377%0.76569%0.686SS**PPolyproline II helixtrans-65.3135.4179.7-72.2178.6-178.7173.10106.1K56 K60K56-K58 PolarHBondContact O-N 2.7Å; K58-K60 PolarHBondContact O-N 2.83Å; K58-K60 VanDerWaalsContact O-N 3.14Å
59P80.4Confident74.7Confident126 Ų126127.5 Ų127.582%0.81868%0.675SS**PPolyproline II helixtrans-54.4127.317523.1-32.3000108.8A61P59-A61 PolarHBondContact O-N 3.07Å
60K85.4Confident76Confident150 Ų150128.4 Ų128.465%0.65267%0.674SS**PPolyproline II helixtrans-56.2123.5-176.4-65.8179.8-179.4178.90109.3K58 T62 L80K58-K60 PolarHBondContact O-N 2.83Å; K58-K60 VanDerWaalsContact O-N 3.14Å; K60-T62 VanDerWaalsContact C-N 3.31Å; K60-L80 VanDerWaalsContact O-CD1 3.29Å; K60-L80 WeakPolarHBondContact O-CD1 3.18Å
61A87.3Confident77.3Confident76 Ų76129.6 Ų129.663%0.62868%0.679SS**SBendtrans-76.9-23.7179.300000112.3P59 L80P59-A61 PolarHBondContact O-N 3.07Å; A61-L80 PolarHBondContact O-N 3.31Å; A61-L80 VanDerWaalsContact O-N 3.1Å
62T91.1Very high78.5Confident63 Ų63127.7 Ų127.739%0.38767%0.67SS.*EExtended strand (participates in β ladder)trans-127.4149.6-176.149.60000110.6K60 V77 V78 K79K60-T62 VanDerWaalsContact C-N 3.31Å; T62-V77 HydrophobicContact CG2-CG1 3.83Å; T62-V78 CarbonylContact C-O 3.46Å; T62-V78 VanDerWaalsContact CA-O 3.3Å; T62-V78 WeakPolarHBondContact CA-O 3.34Å; T62-K79 HydrophobicContact CG2-CG 4.13Å
63V91.8Very high79.4Confident60 Ų60122.7 Ų122.736%0.36467%0.667SS.*EExtended strand (participates in β ladder)trans-122.9130.3172.8173.10000107.9K65 V78 L80V63-K65 HydrophobicContact CG1-CG 4.33Å; V63-K65 PolarHBondContact O-N 3.46Å; V63-V78 PolarHBondContact N-O 3.24Å; V63-V78 PolarHBondContact O-N 3.13Å; V63-L80 HydrophobicContact CB-CD2 4.41Å; V63-L80 HydrophobicContact CG2-CD1 4.13Å; V63-L80 HydrophobicContact CG2-CD2 3.56Å; V63-L80 HydrophobicContact CG2-CG 3.85Å
64V91.5Very high80.5Confident91 Ų91115.4 Ų115.455%0.55265%0.645SS**EExtended strand (participates in β ladder)trans-75.1116.3169.5-175.20000107.1T75 R76 V77V64-T75 HydrophobicContact CG1-CG2 3.87Å; V64-R76 WeakPolarHBondContact CA-O 3.39Å; V64-V77 HydrophobicContact CG2-CG2 4.36Å
65K88.8Confident82.1Confident120 Ų120109.7 Ų109.752%0.52263%0.627SS.*EExtended strand (participates in β ladder)trans-103.5132.9173.7-68.1-168.9175.3-1700108.5V63 T75 R76 V78V63-K65 HydrophobicContact CG1-CG 4.33Å; V63-K65 PolarHBondContact O-N 3.46Å; K65-T75 CarbonylContact O-C 3.5Å; K65-T75 VanDerWaalsContact O-CA 3.3Å; K65-T75 WeakPolarHBondContact O-CA 3.47Å; K65-R76 PolarHBondContact N-O 3.48Å; K65-R76 PolarHBondContact O-N 3.18Å; K65-V78 HydrophobicContact CB-CG2 4.43Å; K65-V78 HydrophobicContact CD-CB 4.34Å; K65-V78 HydrophobicContact CD-CG2 4.06Å; K65-V78 HydrophobicContact CG-CB 4.5Å; K65-V78 HydrophobicContact CG-CG2 4.24Å
66T88.4Confident83.2Confident124 Ų124109 Ų10976%0.76161%0.614SS**EExtended strand (participates in β ladder)trans-66.5141.1168.847.70000109.4G74 T75T66-G74 CarbonylContact C-O 3.56Å; T66-G74 WeakPolarHBondContact CA-O 3.5Å; T66-T75 HydrophobicContact CG2-CG2 4.15Å
67V83.3Confident84.3Confident38 Ų38104.6 Ų104.623%0.2360%0.604CS.*  trans-118.9128.5179.6-176.40000107.7G74 R76V67-G74 PolarHBondContact N-O 3.17Å; V67-R76 HydrophobicContact CG2-CB 3.76Å; V67-R76 HydrophobicContact CG2-CG 3.56Å
68G82.8Confident85.2Confident66 Ų6699 Ų9968%0.6858%0.58SS**  trans-79.4156179.200000113.1N72G68-N72 PolarHBondContact O-ND2 2.97Å
69G82.7Confident86Confident55 Ų5597.1 Ų97.157%0.56757%0.572SS**SBendtrans110.5135.8175.600000113.4N72G69-N72 WeakPolarHBondContact O-CB 3.38Å; G69-N72 PolarHBondContact O-N 3.05Å
70D79.1Confident86.5Confident165 Ų16596.7 Ų96.788%0.88256%0.562SS**THydrogen-bonded Turntrans-64.8137.9176.7-64-29000110.1N72D70-N72 VanDerWaalsContact C-N 3.35Å; D70-N72 PolarHBondContact O-N 2.91Å
71K81.7Confident86.8Confident221 Ų221100.4 Ų100.496%0.96157%0.572SS**THydrogen-bonded Turntrans70.912.6-174.5-48.3174.9-178.9176.80116.2
72N77.3Confident87Confident70 Ų70105.5 Ų105.537%0.37458%0.58SS.*SBendtrans-100.114.6-177.3-146.7-4000115G68 G69 D70 G74G68-N72 PolarHBondContact O-ND2 2.97Å; G69-N72 WeakPolarHBondContact O-CB 3.38Å; G69-N72 PolarHBondContact O-N 3.05Å; D70-N72 VanDerWaalsContact C-N 3.35Å; D70-N72 PolarHBondContact O-N 2.91Å; N72-G74 VanDerWaalsContact C-N 3.26Å; N72-G74 PolarHBondContact O-N 3.43Å
73G80.1Confident87.2Confident73 Ų73109 Ų10975%0.75359%0.594SS**  trans72.25.9172.100000116.5T75G73-T75 PolarHBondContact O-N 2.87Å
74G82.9Confident87.4Confident38 Ų38110.5 Ų110.539%0.39261%0.605SS.*SBendtrans72.5-36.1166.300000117.1T66 V67 N72T66-G74 CarbonylContact C-O 3.56Å; T66-G74 WeakPolarHBondContact CA-O 3.5Å; V67-G74 PolarHBondContact N-O 3.17Å; N72-G74 VanDerWaalsContact C-N 3.26Å; N72-G74 PolarHBondContact O-N 3.43Å
75T90.3Very high87.6Confident79 Ų79118.4 Ų118.449%0.48563%0.625SS.*EExtended strand (participates in β ladder)trans-141.2151.5-179.867.30000113.8V64 K65 T66 G73V64-T75 HydrophobicContact CG1-CG2 3.87Å; K65-T75 CarbonylContact O-C 3.5Å; K65-T75 VanDerWaalsContact O-CA 3.3Å; K65-T75 WeakPolarHBondContact O-CA 3.47Å; T66-T75 HydrophobicContact CG2-CG2 4.15Å; G73-T75 PolarHBondContact O-N 2.87Å
76R86.8Confident88Confident144 Ų144121.2 Ų121.254%0.54363%0.633SS.*EExtended strand (participates in β ladder)trans-132.5137171.6-76.8-176.7-169.2-166.91.6111.1V64 K65 V67 V78V64-R76 WeakPolarHBondContact CA-O 3.39Å; K65-R76 PolarHBondContact N-O 3.48Å; K65-R76 PolarHBondContact O-N 3.18Å; V67-R76 HydrophobicContact CG2-CB 3.76Å; V67-R76 HydrophobicContact CG2-CG 3.56Å; R76-V78 PolarHBondContact O-N 3.33Å
77V90.8Very high88.3Confident100 Ų100122 Ų12261%0.60662%0.623SS**EExtended strand (participates in β ladder)trans-82.6115.5174.3-174.20000109.3T62 V64T62-V77 HydrophobicContact CG2-CG1 3.83Å; V64-V77 HydrophobicContact CG2-CG2 4.36Å
78V90.5Very high89Confident44 Ų44123.2 Ų123.227%0.26763%0.632SS.*EExtended strand (participates in β ladder)trans-116.2131.3-177.1-1770000110.9T62 V63 K65 R76T62-V78 CarbonylContact C-O 3.46Å; T62-V78 VanDerWaalsContact CA-O 3.3Å; T62-V78 WeakPolarHBondContact CA-O 3.34Å; V63-V78 PolarHBondContact N-O 3.24Å; V63-V78 PolarHBondContact O-N 3.13Å; K65-V78 HydrophobicContact CB-CG2 4.43Å; K65-V78 HydrophobicContact CD-CB 4.34Å; K65-V78 HydrophobicContact CD-CG2 4.06Å; K65-V78 HydrophobicContact CG-CB 4.5Å; K65-V78 HydrophobicContact CG-CG2 4.24Å; R76-V78 PolarHBondContact O-N 3.33Å
79K92.6Very high89.6Confident137 Ų137126.9 Ų126.960%0.59664%0.641SS**EExtended strand (participates in β ladder)trans-67.6135173-65.3-179.3-178.6177.30110.8T62T62-K79 HydrophobicContact CG2-CG 4.13Å
80L91Very high90.3Very high116 Ų116132.3 Ų132.361%0.60765%0.652SS**SBendtrans-69-32.2178-77177000113.5K60 A61 V63K60-L80 VanDerWaalsContact O-CD1 3.29Å; K60-L80 WeakPolarHBondContact O-CD1 3.18Å; A61-L80 PolarHBondContact O-N 3.31Å; A61-L80 VanDerWaalsContact O-N 3.1Å; V63-L80 HydrophobicContact CB-CD2 4.41Å; V63-L80 HydrophobicContact CG2-CD1 4.13Å; V63-L80 HydrophobicContact CG2-CD2 3.56Å; V63-L80 HydrophobicContact CG2-CG 3.85Å
81R91.2Very high91.1Very high229 Ų229131 Ų13186%0.86465%0.645SS**SBendtrans-120.4112.6175-67.9-177.2178.4177.6-0.6108.7
82K92.9Very high91.8Very high183 Ų183127 Ų12780%0.79664%0.639SS**PPolyproline II helixtrans-77.5148.3174-64-174.1179.9-177.20109.7
83M94.2Very high92.7Very high137 Ų137129 Ų12968%0.67566%0.656SS**PPolyproline II helixtrans-70.8147.5174.7-66.6173.47100110
84P95.9Very high93.5Very high90 Ų90136.6 Ų136.658%0.58466%0.661SS**PPolyproline II helixtrans-57.9146.6171.7-21.733.4000111.4
85R97.2Very high94.1Very high258 Ų258144.1 Ų144.197%0.97468%0.683SS**SBendtrans-83.9-26.2175.2-69.8-177.7176.8172-4113.1
86Y96.6Very high94.3Very high179 Ų179148.3 Ų148.370%0.70270%0.702SS**  trans-114.9137.3-177.3173.8-97.1000109.7
87Y95.3Very high94.7Very high141 Ų141153.4 Ų153.455%0.55372%0.721SS**  trans-119.7137.7171-67.4-91.8000108.4
88P96.6Very high94.8Very high63 Ų63152 Ų15241%0.40972%0.716SS.*  trans-67.8154.9171.232.3-35000110.1E90 D91P88-E90 VanDerWaalsContact C-N 3.25Å; P88-E90 PolarHBondContact O-N 3.43Å; P88-D91 WeakPolarHBondContact CG-OD1 3.49Å
89T97.1Very high94.9Very high143 Ų143159.1 Ų159.188%0.87775%0.746SS**SBendtrans-64.7-32.5175.2-45.90000111.9
90E96.9Very high94.8Very high168 Ų168155.2 Ų155.279%0.78574%0.744SS**SBendtrans-132.3138.8179.4-64.8-176.9173.900111.6P88P88-E90 VanDerWaalsContact C-N 3.25Å; P88-E90 PolarHBondContact O-N 3.43Å
91D96Very high94.9Very high138 Ų138157.9 Ų157.974%0.73875%0.751SS**PPolyproline II helixtrans-103.4138.6174.7-87.8-26.2000111.3P88P88-D91 WeakPolarHBondContact CG-OD1 3.49Å
92V96.1Very high95.1Very high138 Ų138153 Ų15384%0.83674%0.736SS**PPolyproline II helixtrans-75.7125.4171.7-179.30000109.3
93P96.4Very high95.3Very high112 Ų112147.6 Ų147.673%0.72772%0.72SS**PPolyproline II helixtrans-61.8146.5-178.624.7-34000111.8
94R95.8Very high95.4Very high231 Ų231147.1 Ų147.187%0.87271%0.714SS**PPolyproline II helixtrans-61.6141.1-179.770-178.6-176.2179.3-2111.4
95K95.4Very high95.4Very high197 Ų197147.5 Ų147.586%0.85772%0.719SS**PPolyproline II helixtrans-67.1144.6173-63.6-176.8-179-179.10111.2
96L95.3Very high95.3Very high167 Ų167141.1 Ų141.187%0.87470%0.7SS**PPolyproline II helixtrans-62.1145.3171.8-61.2177.3000111S98L96-S98 PolarHBondContact O-N 2.88Å
97R94.3Very high95.3Very high251 Ų251136.8 Ų136.895%0.94769%0.686SS**PPolyproline II helixtrans-72.5118.7178.1-68.2-176.3178-176.30.9109.3
98S93.5Very high95.3Very high71 Ų71139.2 Ų139.250%0.49770%0.699SS.*  trans-105.5132172.550.30000110.5L96 K101L96-S98 PolarHBondContact O-N 2.88Å; S98-K101 WeakPolarHBondContact OG-CD 3.33Å
99H93.1Very high95.4Very high193 Ų193139.5 Ų139.589%0.89469%0.692SS**SBendtrans-84.2154.1174.7-170.360.9000111.2K101H99-K101 VanDerWaalsContact C-N 3.28Å; H99-K101 PolarHBondContact O-N 3.49Å
100G89.8Confident95.3Very high54 Ų54141.1 Ų141.156%0.55769%0.687SS**SBendtrans81.1-15.717100000116.8K102G100-K102 PolarHBondContact O-N 2.92Å; G100-K102 VanDerWaalsContact O-N 3.17Å
101K93.9Very high95.4Very high172 Ų172136 Ų13675%0.74867%0.665SS**  trans-73.6107174.5-62.4-170.2-169.5-179.60110.2S98 H99S98-K101 WeakPolarHBondContact OG-CD 3.33Å; H99-K101 VanDerWaalsContact C-N 3.28Å; H99-K101 PolarHBondContact O-N 3.49Å
102K95Very high95.4Very high128 Ų128134.4 Ų134.456%0.55765%0.648SS**  trans-103.6146.5179-64.9-174.5-176.9-1750111.1G100 Q106 H107G100-K102 PolarHBondContact O-N 2.92Å; G100-K102 VanDerWaalsContact O-N 3.17Å; K102-Q106 HydrophobicContact CB-CB 4.2Å; K102-Q106 HydrophobicContact CD-CB 4.38Å; K102-H107 PolarHBondContact O-NE2 3.21Å
103P96.8Very high95.5Very high69 Ų69132.6 Ų132.645%0.44865%0.648SS.*  trans-63.7155171.729.1-35.4000110.5S105 Q106 H107P103-S105 PolarHBondContact O-N 3.42Å; P103-S105 VanDerWaalsContact O-N 3.08Å; P103-Q106 HydrophobicContact CG-CB 4.42Å; P103-Q106 HydrophobicContact CG-CG 4Å; P103-Q106 PolarHBondContact O-N 2.97Å; P103-H107 PolarHBondContact O-CD2 3.21Å
104F96.4Very high95.5Very high127 Ų127129.7 Ų129.756%0.55763%0.63SS**G310 helixtrans-52.6-35.7-177.1177.4-102.3000113.2Q106 H107 R109 S141F104-Q106 PolarHBondContact O-N 3.39Å; F104-H107 AromaticContact CD2-ND1 3.8Å; F104-H107 WeakPolarHBondContact O-CB 3.16Å; F104-H107 PolarHBondContact O-N 3.07Å; F104-H107 VanDerWaalsContact O-N 3.16Å; F104-R109 VanDerWaalsContact CE1-NH2 3.28Å; F104-R109 PolarHBondContact O-NH1 3.27Å; F104-R109 PolarHBondContact O-NH2 3.26Å; F104-S141 WeakPolarHBondContact CZ-O 3.5Å
105S95.4Very high95.6Very high98 Ų98119 Ų11969%0.68559%0.59SS**G310 helixtrans-59.8-24.4178.554.20000114.2P103P103-S105 PolarHBondContact O-N 3.42Å; P103-S105 VanDerWaalsContact O-N 3.08Å
106Q96.1Very high95.7Very high123 Ų123111.7 Ų111.758%0.57556%0.562SS**G310 helixtrans-100.51.2-179-65179.98.800113.5K102 P103 F104K102-Q106 HydrophobicContact CB-CB 4.2Å; K102-Q106 HydrophobicContact CD-CB 4.38Å; P103-Q106 HydrophobicContact CG-CB 4.42Å; P103-Q106 HydrophobicContact CG-CG 4Å; P103-Q106 PolarHBondContact O-N 2.97Å; F104-Q106 PolarHBondContact O-N 3.39Å
107H96.8Very high95.8Very high88 Ų88107.8 Ų107.841%0.40755%0.547SS..SBendtrans-71.1143.6177.9-68.7-179.3000110.6K102 P103 F104 R109K102-H107 PolarHBondContact O-NE2 3.21Å; P103-H107 PolarHBondContact O-CD2 3.21Å; F104-H107 AromaticContact CD2-ND1 3.8Å; F104-H107 WeakPolarHBondContact O-CB 3.16Å; F104-H107 PolarHBondContact O-N 3.07Å; F104-H107 VanDerWaalsContact O-N 3.16Å; H107-R109 VanDerWaalsContact CB-NH1 3.32Å
108K95.4Very high95.9Very high193 Ų19395.9 Ų95.984%0.83950%0.502SS*.PPolyproline II helixtrans-71.4130.5172.9-65.4-174.1177-171.90109.5
109R97Very high96.1Very high68 Ų6892.5 Ų92.526%0.25748%0.478SS..PPolyproline II helixtrans-87.2132.1172-52.5-50.9176.7-149.9-7.8109.1F104 H107 S140 S141F104-R109 VanDerWaalsContact CE1-NH2 3.28Å; F104-R109 PolarHBondContact O-NH1 3.27Å; F104-R109 PolarHBondContact O-NH2 3.26Å; H107-R109 VanDerWaalsContact CB-NH1 3.32Å; R109-S140 WeakPolarHBondContact CG-O 3.19Å; R109-S140 PolarHBondContact NE-O 3.13Å; R109-S141 WeakPolarHBondContact CD-O 3.34Å; R109-S141 VanDerWaalsContact NE-C 3.25Å; R109-S141 PolarHBondContact NE-O 3.12Å; R109-S141 VanDerWaalsContact NE-O 3.08Å
110K96.6Very high96.3Very high177 Ų17783.3 Ų83.377%0.7744%0.436SS*.  trans-113.3148173.1-65.4-175177-174.50107.9Q138 Q162K110-Q138 PolarHBondContact O-NE2 3.44Å; K110-Q162 PolarHBondContact O-OE1 2.92Å; K110-Q162 VanDerWaalsContact O-OE1 3.08Å
111L97.6Very high96.8Very high61 Ų6180.7 Ų80.732%0.31941%0.409SS..  trans-121.2143.2172-168.861.2000107.9I115 F135 L144L111-I115 HydrophobicContact CD1-CB 4.05Å; L111-I115 HydrophobicContact CD1-CD1 4.3Å; L111-I115 HydrophobicContact CD1-CG2 3.91Å; L111-I115 HydrophobicContact CD2-CB 4.46Å; L111-I115 HydrophobicContact CD2-CG2 4.26Å; L111-I115 WeakPolarHBondContact CD2-O 3.41Å; L111-I115 HydrophobicContact CG-CB 4.12Å; L111-I115 HydrophobicContact CG-CG2 4.27Å; L111-F135 HydrophobicContact CD2-CE1 4.15Å; L111-F135 HydrophobicContact CD2-CZ 4.05Å; L111-L144 HydrophobicContact CD1-CD2 3.45Å; L111-L144 VanDerWaalsContact CD1-CD2 3.45Å
112R97.3Very high97Very high105 Ų10572.6 Ų72.640%0.39637%0.374SS..  trans-65.3141173-85.7160.171.5-163.34.5108.4S114 I115 V165R112-S114 PolarHBondContact O-N 2.98Å; R112-I115 HydrophobicContact CB-CD1 4.12Å; R112-I115 HydrophobicContact CB-CG1 4.26Å; R112-I115 PolarHBondContact O-N 2.99Å; R112-V165 PolarHBondContact NH1-O 3.38Å; R112-V165 VanDerWaalsContact NH1-O 3.15Å
113A96.8Very high97.1Very high99 Ų9966.8 Ų66.882%0.81835%0.349SS*.THydrogen-bonded Turntrans-60.2-31.1179.500000113I115A113-I115 PolarHBondContact O-N 2.91Å
114S97.3Very high97.2Very high52 Ų5267.2 Ų67.236%0.36435%0.347SS..THydrogen-bonded Turntrans-65.8-1917664.70000113.7R112 A167R112-S114 PolarHBondContact O-N 2.98Å; S114-A167 WeakPolarHBondContact OG-CB 3.1Å
115I97.6Very high97.2Very high5 Ų564.4 Ų64.43%0.02634%0.341CS..  trans-98.2101-178.4-58.6171.4000108.3L111 R112 A113 L121 F135 L144 Q162 A167L111-I115 HydrophobicContact CD1-CB 4.05Å; L111-I115 HydrophobicContact CD1-CD1 4.3Å; L111-I115 HydrophobicContact CD1-CG2 3.91Å; L111-I115 HydrophobicContact CD2-CB 4.46Å; L111-I115 HydrophobicContact CD2-CG2 4.26Å; L111-I115 WeakPolarHBondContact CD2-O 3.41Å; L111-I115 HydrophobicContact CG-CB 4.12Å; L111-I115 HydrophobicContact CG-CG2 4.27Å; R112-I115 HydrophobicContact CB-CD1 4.12Å; R112-I115 HydrophobicContact CB-CG1 4.26Å; R112-I115 PolarHBondContact O-N 2.99Å; A113-I115 PolarHBondContact O-N 2.91Å; I115-L121 HydrophobicContact CG1-CD2 4.24Å; I115-L121 HydrophobicContact CG2-CD2 4.47Å; I115-F135 HydrophobicContact CG2-CD1 3.58Å; I115-F135 HydrophobicContact CG2-CD2 4.18Å; I115-F135 HydrophobicContact CG2-CE1 3.64Å; I115-F135 HydrophobicContact CG2-CE2 4.25Å; I115-F135 HydrophobicContact CG2-CG 3.84Å; I115-F135 HydrophobicContact CG2-CZ 3.97Å; I115-L144 HydrophobicContact CD1-CD1 4.13Å; I115-Q162 HydrophobicContact CD1-CG 3.66Å; I115-A167 HydrophobicContact CG1-CB 3.71Å
116T97.1Very high97.1Very high44 Ų4461.9 Ų61.927%0.2733%0.33SS..  trans-116.4148.9176.456.80000110.2G118 T119 F135 K171T116-G118 PolarHBondContact O-N 2.9Å; T116-G118 VanDerWaalsContact O-N 3.16Å; T116-T119 WeakPolarHBondContact CA-OG1 3.45Å; T116-T119 PolarHBondContact N-OG1 3.07Å; T116-T119 VanDerWaalsContact O-CB 3.26Å; T116-T119 WeakPolarHBondContact O-CB 3.32Å; T116-T119 PolarHBondContact O-N 3.27Å; T116-T119 PolarHBondContact O-OG1 3.27Å; T116-T119 PolarHBondContact OG1-OG1 3.3Å; T116-F135 VanDerWaalsContact O-CD1 3.32Å; T116-F135 WeakPolarHBondContact O-CD1 3.26Å; T116-K171 WeakPolarHBondContact OG1-CE 3.42Å
117P97.1Very high97.1Very high86 Ų8666.9 Ų66.956%0.55834%0.343SS*.THydrogen-bonded Turntrans-47.7125177.5-27.635.9000111.3
118G96.9Very high97.2Very high0 Ų064 Ų640%033%0.33CS..THydrogen-bonded Turntrans88.5-2.6-175.800000117.1T116 V120 F135 I172T116-G118 PolarHBondContact O-N 2.9Å; T116-G118 VanDerWaalsContact O-N 3.16Å; G118-V120 PolarHBondContact O-N 2.99Å; G118-F135 WeakPolarHBondContact CA-O 3.41Å; G118-F135 PolarHBondContact N-O 3.09Å; G118-I172 WeakPolarHBondContact CA-O 3.34Å; G118-I172 PolarHBondContact O-N 2.83Å
119T98.1Very high97.3Very high0 Ų063.8 Ų63.80%032%0.324CS..EExtended strand (participates in β ladder)trans-62.2136.9170.7-48.80000110T116 F135 A167 T168 K171T116-T119 WeakPolarHBondContact CA-OG1 3.45Å; T116-T119 PolarHBondContact N-OG1 3.07Å; T116-T119 VanDerWaalsContact O-CB 3.26Å; T116-T119 WeakPolarHBondContact O-CB 3.32Å; T116-T119 PolarHBondContact O-N 3.27Å; T116-T119 PolarHBondContact O-OG1 3.27Å; T116-T119 PolarHBondContact OG1-OG1 3.3Å; T119-F135 WeakPolarHBondContact O-CB 3.42Å; T119-F135 PolarHBondContact O-N 3.48Å; T119-A167 HydrophobicContact CG2-CB 4.45Å; T119-T168 WeakPolarHBondContact CG2-O 3.45Å; T119-K171 HydrophobicContact CG2-CG 4.41Å
120V98.1Very high97.3Very high0 Ų061.1 Ų61.10%032%0.318CS..EExtended strand (participates in β ladder)trans-76.6136.6170.9-178.60000109.3G118 R132 V133 T168 T170 I172 Y241 L242G118-V120 PolarHBondContact O-N 2.99Å; V120-R132 HydrophobicContact CG1-CB 3.95Å; V120-V133 CarbonylContact C-O 3.46Å; V120-V133 WeakPolarHBondContact CA-O 3.43Å; V120-T168 WeakPolarHBondContact CB-OG1 3.3Å; V120-T168 PolarHBondContact O-N 3.16Å; V120-T168 PolarHBondContact O-OG1 3.48Å; V120-T170 PolarHBondContact N-O 3.27Å; V120-I172 HydrophobicContact CG2-CD1 4.42Å; V120-Y241 HydrophobicContact CG1-CE1 4.01Å; V120-L242 HydrophobicContact CG1-CD2 3.88Å; V120-L242 HydrophobicContact CG2-CD2 4.2Å
121L98.5Very high97.3Very high0 Ų055 Ų550%029%0.291CS..EExtended strand (participates in β ladder)trans-124136.5-172.3-68.7-174.3000108.2I115 R132 V133 F135 L144 V146 V165 I166 A167I115-L121 HydrophobicContact CG1-CD2 4.24Å; I115-L121 HydrophobicContact CG2-CD2 4.47Å; L121-R132 CarbonylContact O-C 3.55Å; L121-R132 WeakPolarHBondContact O-CA 3.4Å; L121-V133 HydrophobicContact CB-CG2 3.99Å; L121-V133 WeakPolarHBondContact CB-O 3.45Å; L121-V133 PolarHBondContact N-O 3.29Å; L121-V133 VanDerWaalsContact O-CG2 3.29Å; L121-V133 WeakPolarHBondContact O-CG2 3.39Å; L121-V133 PolarHBondContact O-N 3.15Å; L121-F135 HydrophobicContact CD1-CB 3.58Å; L121-F135 HydrophobicContact CD1-CD2 4.07Å; L121-F135 HydrophobicContact CD1-CG 4.11Å; L121-F135 HydrophobicContact CG-CB 3.98Å; L121-L144 HydrophobicContact CD1-CD1 3.94Å; L121-V146 HydrophobicContact CD1-CG2 3.9Å; L121-V165 HydrophobicContact CB-CG1 3.48Å; L121-V165 VanDerWaalsContact CB-CG1 3.48Å; L121-V165 HydrophobicContact CD1-CG1 3.92Å; L121-V165 HydrophobicContact CD2-CG1 3.69Å; L121-V165 HydrophobicContact CG-CG1 3.85Å; L121-I166 CarbonylContact C-O 3.35Å; L121-I166 WeakPolarHBondContact CA-O 3.45Å; L121-A167 HydrophobicContact CD2-CB 3.94Å
122I98.2Very high97.4Very high2 Ų253.6 Ų53.61%0.0128%0.282CS..EExtended strand (participates in β ladder)trans-98.8118.2171.4-52.6174.1000107.9L124 R132 V165 I166 T168 F246 F259I122-L124 PolarHBondContact O-N 3.43Å; I122-R132 HydrophobicContact CG1-CG 4.36Å; I122-V165 VanDerWaalsContact O-CA 3.3Å; I122-V165 WeakPolarHBondContact O-CA 3.45Å; I122-I166 HydrophobicContact CB-CB 4.17Å; I122-I166 HydrophobicContact CD1-CB 4.46Å; I122-I166 PolarHBondContact N-O 3.49Å; I122-I166 PolarHBondContact O-N 3.13Å; I122-T168 HydrophobicContact CD1-CG2 3.83Å; I122-T168 HydrophobicContact CG1-CG2 3.93Å; I122-F246 HydrophobicContact CD1-CB 4.16Å; I122-F246 HydrophobicContact CD1-CD1 4.38Å; I122-F246 HydrophobicContact CD1-CD2 4.08Å; I122-F246 HydrophobicContact CD1-CG 3.94Å; I122-F246 HydrophobicContact CG2-CB 3.68Å; I122-F246 HydrophobicContact CG2-CD1 3.88Å; I122-F246 HydrophobicContact CG2-CG 3.99Å; I122-F259 HydrophobicContact CD1-CD1 4.12Å; I122-F259 HydrophobicContact CD1-CE1 4.35Å
123L98.3Very high97.4Very high6 Ų648.6 Ų48.63%0.03126%0.263CS..EExtended strand (participates in β ladder)trans-74.9125.6175.5-63.8-179.6000110H128 R129 G130 K131 V133 V155 A160 V165L123-H128 WeakPolarHBondContact CB-O 3.47Å; L123-H128 HydrophobicContact CD1-CB 3.74Å; L123-R129 CarbonylContact O-C 3.49Å; L123-R129 WeakPolarHBondContact O-CA 3.32Å; L123-G130 PolarHBondContact O-N 2.84Å; L123-K131 PolarHBondContact N-O 2.8Å; L123-V133 HydrophobicContact CD1-CG1 4.1Å; L123-V133 HydrophobicContact CD1-CG2 4.07Å; L123-V133 HydrophobicContact CD2-CG2 3.91Å; L123-V133 HydrophobicContact CG-CG1 4.43Å; L123-V133 HydrophobicContact CG-CG2 3.65Å; L123-V155 HydrophobicContact CD1-CG1 4.31Å; L123-A160 HydrophobicContact CD2-CB 3.87Å; L123-V165 HydrophobicContact CD2-CG2 3.9Å
124L97.9Very high97.5Very high78 Ų7843.9 Ų43.941%0.40822%0.224SC..  trans-93.5-26.4178.8-61.5179.1000113I122 F164 I166I122-L124 PolarHBondContact O-N 3.43Å; L124-F164 WeakPolarHBondContact CB-O 3.4Å; L124-F164 PolarHBondContact N-O 3.22Å; L124-I166 HydrophobicContact CD1-CD1 4.37Å; L124-I166 HydrophobicContact CD1-CG1 3.9Å; L124-I166 HydrophobicContact CD2-CD1 3.82Å; L124-I166 HydrophobicContact CD2-CG1 3.98Å; L124-I166 HydrophobicContact CG-CG1 4.15Å
125T96.5Very high97.5Very high68 Ų6841.5 Ų41.542%0.41721%0.207SC..SBendtrans-124.1156.6-170.867.80000113.5F164T125-F164 HydrophobicContact CG2-CB 3.81Å; T125-F164 HydrophobicContact CG2-CD1 3.82Å; T125-F164 HydrophobicContact CG2-CG 3.83Å; T125-F164 WeakPolarHBondContact OG1-CB 3.41Å
126G95Very high97.5Very high45 Ų4541.4 Ų41.446%0.46421%0.206SC..SBendtrans82.6-169.8178.600000113.9H128 R129G126-H128 PolarHBondContact O-N 3.36Å; G126-H128 VanDerWaalsContact O-N 3.12Å; G126-R129 PolarHBondContact O-N 3.3Å
127R96.1Very high97.4Very high227 Ų22742 Ų4286%0.85721%0.205SC*.THydrogen-bonded Turntrans-59.6-25-176.2-176.7173.9175.283.1-0.2114
128H97.4Very high97.4Very high27 Ų2740.7 Ų40.713%0.12519%0.192CC..THydrogen-bonded Turntrans-103.425.7-177.3-57.8-58.3000112.8L123 G126 K131 R154 V155L123-H128 WeakPolarHBondContact CB-O 3.47Å; L123-H128 HydrophobicContact CD1-CB 3.74Å; G126-H128 PolarHBondContact O-N 3.36Å; G126-H128 VanDerWaalsContact O-N 3.12Å; H128-K131 HydrophobicContact CB-CD 4.12Å; H128-K131 HydrophobicContact CB-CG 4.48Å; H128-K131 WeakPolarHBondContact O-CB 3.21Å; H128-K131 PolarHBondContact O-N 2.97Å; H128-R154 PolarHBondContact CE1-O 3.39Å; H128-R154 VanDerWaalsContact CE1-O 3.3Å; H128-V155 HydrophobicContact CB-CG1 4.42Å; H128-V155 HydrophobicContact CB-CG2 3.95Å
129R97.1Very high97.5Very high189 Ų18941.2 Ų41.271%0.71320%0.195SC*.THydrogen-bonded Turntrans-53.9143.7175.165.3-178-175.7-174.81.3112L123 G126 K131L123-R129 CarbonylContact O-C 3.49Å; L123-R129 WeakPolarHBondContact O-CA 3.32Å; G126-R129 PolarHBondContact O-N 3.3Å; R129-K131 PolarHBondContact O-N 2.71Å; R129-K131 VanDerWaalsContact O-N 3.14Å
130G97.3Very high97.3Very high12 Ų1245.9 Ų45.912%0.12423%0.227CC..THydrogen-bonded Turntrans73.3-13.8-175.800000114.7L123 F246L123-G130 PolarHBondContact O-N 2.84Å; G130-F246 WeakPolarHBondContact CA-O 3.49Å; G130-F246 WeakPolarHBondContact O-CB 3.3Å; G130-F246 PolarHBondContact O-N 3.07Å
131K98.2Very high97.2Very high49 Ų4947.1 Ų47.121%0.21324%0.236CC..BIsolated β-bridgetrans-74.2140-177.2-62.7-166.9173.6-167.10111.5L123 H128 R129 N153 V155 T245L123-K131 PolarHBondContact N-O 2.8Å; H128-K131 HydrophobicContact CB-CD 4.12Å; H128-K131 HydrophobicContact CB-CG 4.48Å; H128-K131 WeakPolarHBondContact O-CB 3.21Å; H128-K131 PolarHBondContact O-N 2.97Å; R129-K131 PolarHBondContact O-N 2.71Å; R129-K131 VanDerWaalsContact O-N 3.14Å; K131-N153 WeakPolarHBondContact CD-O 3.19Å; K131-N153 PolarHBondContact NZ-O 3.45Å; K131-V155 HydrophobicContact CB-CG2 4.07Å; K131-V155 HydrophobicContact CD-CG2 3.41Å; K131-V155 VanDerWaalsContact CD-CG2 3.41Å; K131-V155 HydrophobicContact CG-CG2 4.35Å; K131-T245 HydrophobicContact CG-CG2 4.3Å
132R98.4Very high97.2Very high31 Ų3147.9 Ų47.912%0.11724%0.243CC..EExtended strand (participates in β ladder)trans-91126.3175.1-54.5-161.3-175.492.5-5.2110.1V120 L121 I122 N153 Y241 L242 S244V120-R132 HydrophobicContact CG1-CB 3.95Å; L121-R132 CarbonylContact O-C 3.55Å; L121-R132 WeakPolarHBondContact O-CA 3.4Å; I122-R132 HydrophobicContact CG1-CG 4.36Å; R132-N153 PolarHBondContact O-ND2 3.01Å; R132-Y241 VanDerWaalsContact CD-CE1 3.4Å; R132-Y241 WeakPolarHBondContact CD-O 3.44Å; R132-Y241 VanDerWaalsContact CZ-CE2 3.49Å; R132-Y241 VanDerWaalsContact NE-CE2 3.32Å; R132-Y241 PolarHBondContact NH1-O 3.02Å; R132-L242 HydrophobicContact CB-CD2 4.11Å; R132-S244 PolarHBondContact NH1-O 2.76Å; R132-S244 PolarHBondContact NH1-OG 3.16Å
133V98.3Very high97.2Very high0 Ų049.6 Ų49.60%025%0.252CS..EExtended strand (participates in β ladder)trans-141155.5-168.8-66.30000110.3V120 L121 L123 V146 V155V120-V133 CarbonylContact C-O 3.46Å; V120-V133 WeakPolarHBondContact CA-O 3.43Å; L121-V133 HydrophobicContact CB-CG2 3.99Å; L121-V133 WeakPolarHBondContact CB-O 3.45Å; L121-V133 PolarHBondContact N-O 3.29Å; L121-V133 VanDerWaalsContact O-CG2 3.29Å; L121-V133 WeakPolarHBondContact O-CG2 3.39Å; L121-V133 PolarHBondContact O-N 3.15Å; L123-V133 HydrophobicContact CD1-CG1 4.1Å; L123-V133 HydrophobicContact CD1-CG2 4.07Å; L123-V133 HydrophobicContact CD2-CG2 3.91Å; L123-V133 HydrophobicContact CG-CG1 4.43Å; L123-V133 HydrophobicContact CG-CG2 3.65Å; V133-V146 HydrophobicContact CB-CG1 3.44Å; V133-V146 VanDerWaalsContact CB-CG1 3.44Å; V133-V146 HydrophobicContact CG1-CG1 4.4Å; V133-V146 HydrophobicContact CG2-CG1 3.17Å; V133-V155 HydrophobicContact CG1-CB 3.95Å; V133-V155 HydrophobicContact CG1-CG1 3.92Å; V133-V155 HydrophobicContact CG1-CG2 3.95Å
134V97.8Very high97.2Very high0 Ų049.3 Ų49.30%025%0.251CS..EExtended strand (participates in β ladder)trans-96.9130-174.2-175.20000110.4V146 T147 I172 I174 L228 L242V134-V146 WeakPolarHBondContact O-CA 3.38Å; V134-V146 WeakPolarHBondContact O-CG1 3.47Å; V134-T147 WeakPolarHBondContact CA-O 3.5Å; V134-T147 PolarHBondContact N-O 2.88Å; V134-T147 PolarHBondContact O-N 3.01Å; V134-I172 HydrophobicContact CG1-CD1 4.12Å; V134-I172 HydrophobicContact CG2-CD1 3.65Å; V134-I174 HydrophobicContact CG1-CD1 3.49Å; V134-I174 VanDerWaalsContact CG1-CD1 3.49Å; V134-L228 HydrophobicContact CB-CD2 4.19Å; V134-L228 HydrophobicContact CG1-CD1 4.42Å; V134-L228 HydrophobicContact CG1-CD2 4.35Å; V134-L228 HydrophobicContact CG2-CD2 4.28Å; V134-L242 HydrophobicContact CG2-CD1 4.3Å; V134-L242 HydrophobicContact CG2-CD2 4.34Å
135F98.3Very high97.2Very high2 Ų245.6 Ų45.61%0.00923%0.231CC..EExtended strand (participates in β ladder)trans-76.2131173.9-179.9-120.8000111.6L111 I115 T116 G118 T119 L121 K137 Q138 L144 V146L111-F135 HydrophobicContact CD2-CE1 4.15Å; L111-F135 HydrophobicContact CD2-CZ 4.05Å; I115-F135 HydrophobicContact CG2-CD1 3.58Å; I115-F135 HydrophobicContact CG2-CD2 4.18Å; I115-F135 HydrophobicContact CG2-CE1 3.64Å; I115-F135 HydrophobicContact CG2-CE2 4.25Å; I115-F135 HydrophobicContact CG2-CG 3.84Å; I115-F135 HydrophobicContact CG2-CZ 3.97Å; T116-F135 VanDerWaalsContact O-CD1 3.32Å; T116-F135 WeakPolarHBondContact O-CD1 3.26Å; G118-F135 WeakPolarHBondContact CA-O 3.41Å; G118-F135 PolarHBondContact N-O 3.09Å; T119-F135 WeakPolarHBondContact O-CB 3.42Å; T119-F135 PolarHBondContact O-N 3.48Å; L121-F135 HydrophobicContact CD1-CB 3.58Å; L121-F135 HydrophobicContact CD1-CD2 4.07Å; L121-F135 HydrophobicContact CD1-CG 4.11Å; L121-F135 HydrophobicContact CG-CB 3.98Å; F135-K137 VanDerWaalsContact CE2-O 3.27Å; F135-K137 WeakPolarHBondContact CE2-O 3.28Å; F135-Q138 HydrophobicContact CZ-CB 4.35Å; F135-L144 HydrophobicContact CD2-CB 3.9Å; F135-L144 HydrophobicContact CD2-CD1 4.42Å; F135-L144 HydrophobicContact CD2-CD2 4.27Å; F135-L144 HydrophobicContact CD2-CG 4.41Å; F135-L144 HydrophobicContact CE2-CB 3.69Å; F135-L144 HydrophobicContact CE2-CD1 4.45Å; F135-L144 HydrophobicContact CE2-CD2 3.51Å; F135-L144 HydrophobicContact CE2-CG 4.05Å; F135-L144 HydrophobicContact CZ-CD2 4.02Å; F135-V146 HydrophobicContact CD2-CG2 4.37Å
136L96.9Very high97.2Very high3 Ų342.5 Ų42.52%0.01621%0.212CC..EExtended strand (participates in β ladder)trans-101.7-64.2179.1-59.2-171.5000112.1L145 T147 L157 I174 M177 I179 V224L136-L145 HydrophobicContact CB-CD2 4.42Å; L136-L145 HydrophobicContact CB-CG 4.3Å; L136-L145 HydrophobicContact CD1-CD2 4.27Å; L136-L145 HydrophobicContact CD1-CG 4.23Å; L136-L145 PolarHBondContact N-O 3.33Å; L136-T147 HydrophobicContact CD1-CG2 3.84Å; L136-T147 HydrophobicContact CD2-CG2 3.76Å; L136-T147 HydrophobicContact CG-CG2 3.94Å; L136-L157 HydrophobicContact CD1-CD2 3.59Å; L136-I174 HydrophobicContact CD2-CD1 4.25Å; L136-M177 HydrophobicContact CD2-CE 3.5Å; L136-M177 VanDerWaalsContact CD2-CE 3.5Å; L136-I179 HydrophobicContact CB-CD1 3.88Å; L136-V224 HydrophobicContact CD1-CG1 4.06Å
137K96.3Very high97.3Very high57 Ų5740.4 Ų40.425%0.24819%0.19CC..EExtended strand (participates in β ladder)trans-155.6159.5-178.862.3171.4-176.7171.50111.4F135 L145 I179 L183F135-K137 VanDerWaalsContact CE2-O 3.27Å; F135-K137 WeakPolarHBondContact CE2-O 3.28Å; K137-L145 HydrophobicContact CD-CD2 4.42Å; K137-L145 HydrophobicContact CG-CB 4.07Å; K137-L145 HydrophobicContact CG-CD2 3.98Å; K137-L145 WeakPolarHBondContact O-CB 3.27Å; K137-L145 PolarHBondContact O-N 2.77Å; K137-I179 HydrophobicContact CB-CD1 4.31Å; K137-I179 HydrophobicContact CD-CD1 4.47Å; K137-I179 HydrophobicContact CD-CG2 4.05Å; K137-I179 HydrophobicContact CG-CD1 4.31Å; K137-L183 WeakPolarHBondContact CE-O 3.09Å; K137-L183 PolarHBondContact NZ-O 2.92Å
138Q97.2Very high97.3Very high59 Ų5929.6 Ų29.628%0.27615%0.15SC..EExtended strand (participates in β ladder)trans-83.3134.6168.1-168.1175.132.200110K110 F135 G142K110-Q138 PolarHBondContact O-NE2 3.44Å; F135-Q138 HydrophobicContact CZ-CB 4.35Å; Q138-G142 PolarHBondContact NE2-O 2.76Å; Q138-G142 VanDerWaalsContact NE2-O 3.16Å
139L97.4Very high97.3Very high11 Ų1128.3 Ų28.36%0.05814%0.144CC..  trans-84.4167.4174.3-59179.9000111.2S141 G142 L143 L145 R159 D185 F188L139-S141 PolarHBondContact O-N 3.4Å; L139-G142 WeakPolarHBondContact O-CA 3.29Å; L139-G142 PolarHBondContact O-N 3.43Å; L139-L143 PolarHBondContact N-O 2.99Å; L139-L145 HydrophobicContact CD2-CB 4.11Å; L139-L145 HydrophobicContact CG-CB 4.18Å; L139-R159 VanDerWaalsContact CD1-CD 3.43Å; L139-R159 HydrophobicContact CD1-CG 3.63Å; L139-D185 WeakPolarHBondContact CB-OD2 3.39Å; L139-F188 HydrophobicContact CD1-CD2 4.4Å
140S95.4Very high97.2Very high98 Ų9822.4 Ų22.469%0.68513%0.126SC*.THydrogen-bonded Turntrans-66.2-25.6-177.458.40000113.3R109 G142 D185R109-S140 WeakPolarHBondContact CG-O 3.19Å; R109-S140 PolarHBondContact NE-O 3.13Å; S140-G142 PolarHBondContact O-N 3.43Å; S140-D185 PolarHBondContact N-OD2 3.45Å; S140-D185 PolarHBondContact OG-OD2 2.74Å
141S95.9Very high97.1Very high26 Ų2625 Ų2518%0.18215%0.147CC..THydrogen-bonded Turntrans-67.8-14.7169.365.40000114.1F104 R109 L139 L143 D185F104-S141 WeakPolarHBondContact CZ-O 3.5Å; R109-S141 WeakPolarHBondContact CD-O 3.34Å; R109-S141 VanDerWaalsContact NE-C 3.25Å; R109-S141 PolarHBondContact NE-O 3.12Å; R109-S141 VanDerWaalsContact NE-O 3.08Å; L139-S141 PolarHBondContact O-N 3.4Å; S141-L143 VanDerWaalsContact C-N 3.33Å; S141-L143 WeakPolarHBondContact OG-CB 3.46Å; S141-L143 WeakPolarHBondContact OG-CG 3.27Å; S141-L143 PolarHBondContact OG-N 2.93Å; S141-D185 VanDerWaalsContact CB-CG 3.46Å; S141-D185 VanDerWaalsContact CB-OD1 3.32Å; S141-D185 WeakPolarHBondContact CB-OD1 3.45Å; S141-D185 VanDerWaalsContact CB-OD2 3.24Å; S141-D185 WeakPolarHBondContact CB-OD2 3.44Å; S141-D185 PolarHBondContact N-OD2 2.96Å; S141-D185 PolarHBondContact OG-OD1 2.96Å; S141-D185 PolarHBondContact OG-OD2 2.83Å
142G96.9Very high97Very high15 Ų1524.4 Ų24.416%0.15515%0.145CC..SBendtrans89.4-5.6-171.900000114.1Q138 L139 S140Q138-G142 PolarHBondContact NE2-O 2.76Å; Q138-G142 VanDerWaalsContact NE2-O 3.16Å; L139-G142 WeakPolarHBondContact O-CA 3.29Å; L139-G142 PolarHBondContact O-N 3.43Å; S140-G142 PolarHBondContact O-N 3.43Å
143L98Very high96.9Very high39 Ų3923.2 Ų23.220%0.20414%0.141CC..PPolyproline II helixtrans-68.6151.1172.2-63.9173.9000110.8L139 S141 R159 H161L139-L143 PolarHBondContact N-O 2.99Å; S141-L143 VanDerWaalsContact C-N 3.33Å; S141-L143 WeakPolarHBondContact OG-CB 3.46Å; S141-L143 WeakPolarHBondContact OG-CG 3.27Å; S141-L143 PolarHBondContact OG-N 2.93Å; L143-R159 HydrophobicContact CB-CB 4.34Å; L143-R159 HydrophobicContact CD1-CB 4.17Å; L143-H161 HydrophobicContact CD2-CB 4.08Å
144L98.3Very high96.8Very high0 Ų031.3 Ų31.30%017%0.172CC..EExtended strand (participates in β ladder)trans-86.2128.6177.1-52-176.5000109L111 I115 L121 F135 V146 R159 A160 Q162L111-L144 HydrophobicContact CD1-CD2 3.45Å; L111-L144 VanDerWaalsContact CD1-CD2 3.45Å; I115-L144 HydrophobicContact CD1-CD1 4.13Å; L121-L144 HydrophobicContact CD1-CD1 3.94Å; F135-L144 HydrophobicContact CD2-CB 3.9Å; F135-L144 HydrophobicContact CD2-CD1 4.42Å; F135-L144 HydrophobicContact CD2-CD2 4.27Å; F135-L144 HydrophobicContact CD2-CG 4.41Å; F135-L144 HydrophobicContact CE2-CB 3.69Å; F135-L144 HydrophobicContact CE2-CD1 4.45Å; F135-L144 HydrophobicContact CE2-CD2 3.51Å; F135-L144 HydrophobicContact CE2-CG 4.05Å; F135-L144 HydrophobicContact CZ-CD2 4.02Å; L144-V146 HydrophobicContact CB-CG2 3.81Å; L144-R159 CarbonylContact O-C 3.48Å; L144-R159 VanDerWaalsContact O-CA 3.3Å; L144-R159 WeakPolarHBondContact O-CA 3.49Å; L144-A160 PolarHBondContact N-O 3.24Å; L144-A160 PolarHBondContact O-N 3.01Å; L144-Q162 HydrophobicContact CD1-CB 4.21Å; L144-Q162 HydrophobicContact CD2-CB 4.39Å; L144-Q162 HydrophobicContact CG-CB 4.29Å
145L98Very high96.8Very high0 Ų031.3 Ų31.30%017%0.172CC..EExtended strand (participates in β ladder)trans-83.2123.2163.2-179.562.3000108.2L136 K137 L139 L157 I179 L183 F188L136-L145 HydrophobicContact CB-CD2 4.42Å; L136-L145 HydrophobicContact CB-CG 4.3Å; L136-L145 HydrophobicContact CD1-CD2 4.27Å; L136-L145 HydrophobicContact CD1-CG 4.23Å; L136-L145 PolarHBondContact N-O 3.33Å; K137-L145 HydrophobicContact CD-CD2 4.42Å; K137-L145 HydrophobicContact CG-CB 4.07Å; K137-L145 HydrophobicContact CG-CD2 3.98Å; K137-L145 WeakPolarHBondContact O-CB 3.27Å; K137-L145 PolarHBondContact O-N 2.77Å; L139-L145 HydrophobicContact CD2-CB 4.11Å; L139-L145 HydrophobicContact CG-CB 4.18Å; L145-L157 HydrophobicContact CD1-CD2 4.19Å; L145-L157 HydrophobicContact CG-CD2 4.47Å; L145-I179 HydrophobicContact CD2-CG2 4.3Å; L145-L183 HydrophobicContact CD2-CB 4.19Å; L145-L183 HydrophobicContact CD2-CD1 4.29Å; L145-F188 HydrophobicContact CD1-CD2 4.47Å; L145-F188 HydrophobicContact CD1-CE1 4.46Å; L145-F188 HydrophobicContact CD1-CE2 3.56Å; L145-F188 HydrophobicContact CD1-CZ 3.55Å
146V97.6Very high96.7Very high3 Ų333.7 Ų33.72%0.01819%0.187CC..EExtended strand (participates in β ladder)trans-133.8143.5-171.3177.20000108.6L121 V133 V134 F135 L144 L157 R158 A160L121-V146 HydrophobicContact CD1-CG2 3.9Å; V133-V146 HydrophobicContact CB-CG1 3.44Å; V133-V146 VanDerWaalsContact CB-CG1 3.44Å; V133-V146 HydrophobicContact CG1-CG1 4.4Å; V133-V146 HydrophobicContact CG2-CG1 3.17Å; V134-V146 WeakPolarHBondContact O-CA 3.38Å; V134-V146 WeakPolarHBondContact O-CG1 3.47Å; F135-V146 HydrophobicContact CD2-CG2 4.37Å; L144-V146 HydrophobicContact CB-CG2 3.81Å; V146-L157 WeakPolarHBondContact O-CA 3.35Å; V146-R158 PolarHBondContact N-O 2.9Å; V146-R158 PolarHBondContact O-N 3.49Å; V146-A160 HydrophobicContact CG2-CB 4.05Å
147T97.6Very high96.7Very high0 Ų034.3 Ų34.30%019%0.191CC..EExtended strand (participates in β ladder)trans-130132.3170.3-170.90000109.1V134 L136 Q221 V224 D225 L228V134-T147 WeakPolarHBondContact CA-O 3.5Å; V134-T147 PolarHBondContact N-O 2.88Å; V134-T147 PolarHBondContact O-N 3.01Å; L136-T147 HydrophobicContact CD1-CG2 3.84Å; L136-T147 HydrophobicContact CD2-CG2 3.76Å; L136-T147 HydrophobicContact CG-CG2 3.94Å; T147-Q221 PolarHBondContact OG1-NE2 3.07Å; T147-V224 HydrophobicContact CG2-CG1 4.38Å; T147-D225 PolarHBondContact OG1-OD1 3.15Å; T147-L228 HydrophobicContact CG2-CD2 3.45Å; T147-L228 VanDerWaalsContact CG2-CD2 3.45Å
148G96.4Very high96.7Very high0 Ų036.4 Ų36.40%020%0.197CC..EExtended strand (participates in β ladder)trans-105.4108.116000000106L150 N153 V155G148-L150 WeakPolarHBondContact O-CA 3.41Å; G148-L150 PolarHBondContact O-N 2.91Å; G148-N153 WeakPolarHBondContact CA-ND2 3.41Å; G148-N153 VanDerWaalsContact CA-OD1 3.25Å; G148-N153 WeakPolarHBondContact CA-OD1 3.48Å; G148-N153 PolarHBondContact O-OD1 3.18Å; G148-V155 CarbonylContact C-O 3.55Å; G148-V155 PolarHBondContact N-O 2.94Å; G148-V155 VanDerWaalsContact N-O 3.07Å; G148-V155 CarbonylContact O-C 3.53Å
149P95.9Very high96.7Very high0 Ų036.8 Ų36.80%020%0.196CC..  trans-40.7119.9-168.5-27.226.7000110.9A151 L152 N153 L228 L229 I232P149-A151 PolarHBondContact O-N 3.47Å; P149-L152 HydrophobicContact CB-CD1 4.11Å; P149-L152 HydrophobicContact CB-CG 4.21Å; P149-L152 HydrophobicContact CG-CD1 4.16Å; P149-L152 PolarHBondContact O-N 3.29Å; P149-N153 PolarHBondContact O-N 2.98Å; P149-L228 HydrophobicContact CG-CD2 3.97Å; P149-L228 HydrophobicContact CG-CG 4.45Å; P149-L229 HydrophobicContact CB-CD2 3.8Å; P149-L229 HydrophobicContact CB-CG 4.4Å; P149-L229 HydrophobicContact CG-CD2 4.46Å; P149-I232 HydrophobicContact CG-CD1 3.37Å
150L96.4Very high96.7Very high65 Ų6536.6 Ų36.634%0.3420%0.196SC..Hα-helixtrans-59.9-31.1-158.7-174.570.6000111.1G148 L152 R154 P156 Q221 D225G148-L150 WeakPolarHBondContact O-CA 3.41Å; G148-L150 PolarHBondContact O-N 2.91Å; L150-L152 VanDerWaalsContact C-N 3.34Å; L150-L152 PolarHBondContact O-N 2.89Å; L150-R154 WeakPolarHBondContact O-CA 3.49Å; L150-R154 WeakPolarHBondContact O-CD 3.38Å; L150-R154 PolarHBondContact O-N 2.88Å; L150-P156 HydrophobicContact CD1-CB 4.15Å; L150-Q221 HydrophobicContact CB-CG 4.1Å; L150-Q221 HydrophobicContact CD2-CG 4.17Å; L150-D225 WeakPolarHBondContact CB-OD2 3.31Å; L150-D225 PolarHBondContact N-OD2 3.4Å
151A94.5Very high96.8Very high68 Ų6836 Ų3656%0.56218%0.183SC*.Hα-helixtrans-63.9-30.3174.700000114.3P149P149-A151 PolarHBondContact O-N 3.47Å
152L95.4Very high96.9Very high35 Ų3536.4 Ų36.418%0.18318%0.181CC..Hα-helixtrans-88.8-55-176-63-178.7000112.5P149 L150 L229 I232 L242P149-L152 HydrophobicContact CB-CD1 4.11Å; P149-L152 HydrophobicContact CB-CG 4.21Å; P149-L152 HydrophobicContact CG-CD1 4.16Å; P149-L152 PolarHBondContact O-N 3.29Å; L150-L152 VanDerWaalsContact C-N 3.34Å; L150-L152 PolarHBondContact O-N 2.89Å; L152-L229 HydrophobicContact CD1-CD2 4.25Å; L152-L229 HydrophobicContact CG-CD2 4.27Å; L152-I232 HydrophobicContact CD1-CD1 4.5Å; L152-I232 HydrophobicContact CD1-CG2 4.24Å; L152-L242 HydrophobicContact CD1-CB 4.36Å; L152-L242 HydrophobicContact CD1-CD1 4.3Å
153N95.6Very high97Very high6 Ų643.8 Ų43.83%0.03221%0.209CC..Hα-helixtrans-127.36.9-167.467.913.2000114.2K131 R132 G148 P149 V155 L242K131-N153 WeakPolarHBondContact CD-O 3.19Å; K131-N153 PolarHBondContact NZ-O 3.45Å; R132-N153 PolarHBondContact O-ND2 3.01Å; G148-N153 WeakPolarHBondContact CA-ND2 3.41Å; G148-N153 VanDerWaalsContact CA-OD1 3.25Å; G148-N153 WeakPolarHBondContact CA-OD1 3.48Å; G148-N153 PolarHBondContact O-OD1 3.18Å; P149-N153 PolarHBondContact O-N 2.98Å; N153-V155 VanDerWaalsContact C-N 3.26Å; N153-V155 PolarHBondContact O-N 2.87Å; N153-V155 PolarHBondContact OD1-N 3.12Å; N153-V155 VanDerWaalsContact OD1-N 3.15Å; N153-L242 WeakPolarHBondContact CB-O 3.29Å; N153-L242 PolarHBondContact ND2-O 2.82Å
154R96.8Very high96.9Very high170 Ų17046.9 Ų46.964%0.64222%0.221SC*.  trans59.429.9177.3-50-64.5-176.9-169.64113.9H128 L150H128-R154 PolarHBondContact CE1-O 3.39Å; H128-R154 VanDerWaalsContact CE1-O 3.3Å; L150-R154 WeakPolarHBondContact O-CA 3.49Å; L150-R154 WeakPolarHBondContact O-CD 3.38Å; L150-R154 PolarHBondContact O-N 2.88Å
155V97.5Very high96.9Very high1 Ų147 Ų471%0.00622%0.222CC..EExtended strand (participates in β ladder)trans-106.9100.6174.8-173.40000110.3L123 H128 K131 V133 G148 N153L123-V155 HydrophobicContact CD1-CG1 4.31Å; H128-V155 HydrophobicContact CB-CG1 4.42Å; H128-V155 HydrophobicContact CB-CG2 3.95Å; K131-V155 HydrophobicContact CB-CG2 4.07Å; K131-V155 HydrophobicContact CD-CG2 3.41Å; K131-V155 VanDerWaalsContact CD-CG2 3.41Å; K131-V155 HydrophobicContact CG-CG2 4.35Å; V133-V155 HydrophobicContact CG1-CB 3.95Å; V133-V155 HydrophobicContact CG1-CG1 3.92Å; V133-V155 HydrophobicContact CG1-CG2 3.95Å; G148-V155 CarbonylContact C-O 3.55Å; G148-V155 PolarHBondContact N-O 2.94Å; G148-V155 VanDerWaalsContact N-O 3.07Å; G148-V155 CarbonylContact O-C 3.53Å; N153-V155 VanDerWaalsContact C-N 3.26Å; N153-V155 PolarHBondContact O-N 2.87Å; N153-V155 PolarHBondContact OD1-N 3.12Å; N153-V155 VanDerWaalsContact OD1-N 3.15Å
156P96.9Very high97Very high51 Ų5148.7 Ų48.733%0.33123%0.231SC..EExtended strand (participates in β ladder)trans-64.9171.5179.831-36.6000111.7L150 R158L150-P156 HydrophobicContact CD1-CB 4.15Å; P156-R158 VanDerWaalsContact O-CB 3.31Å; P156-R158 WeakPolarHBondContact O-CB 3.25Å; P156-R158 PolarHBondContact O-N 3.32Å
157L96.9Very high97Very high16 Ų1649 Ų498%0.08423%0.233CC..EExtended strand (participates in β ladder)trans-47.5113164.6-79.1165.4000109.1L136 L145 V146 L183 F188 V224L136-L157 HydrophobicContact CD1-CD2 3.59Å; L145-L157 HydrophobicContact CD1-CD2 4.19Å; L145-L157 HydrophobicContact CG-CD2 4.47Å; V146-L157 WeakPolarHBondContact O-CA 3.35Å; L157-L183 HydrophobicContact CD1-CD1 4.15Å; L157-F188 HydrophobicContact CB-CE1 4.16Å; L157-F188 HydrophobicContact CB-CZ 4.18Å; L157-F188 WeakPolarHBondContact O-CE1 3.34Å; L157-V224 HydrophobicContact CD1-CB 4.34Å; L157-V224 HydrophobicContact CD1-CG2 4.09Å; L157-V224 HydrophobicContact CD2-CG1 4.35Å
158R96.2Very high97Very high102 Ų10249.2 Ų49.239%0.38524%0.235SC..EExtended strand (participates in β ladder)trans-144.4152.7-171.1-170.7175.1-176.6-90.31.6110.6V146 P156V146-R158 PolarHBondContact N-O 2.9Å; V146-R158 PolarHBondContact O-N 3.49Å; P156-R158 VanDerWaalsContact O-CB 3.31Å; P156-R158 WeakPolarHBondContact O-CB 3.25Å; P156-R158 PolarHBondContact O-N 3.32Å
159R97.6Very high97Very high66 Ų6654 Ų5425%0.24926%0.264CS..EExtended strand (participates in β ladder)trans-84.3131169-61.9-170.8-65176.8-6.3110.7L139 L143 L144 D185 F188L139-R159 VanDerWaalsContact CD1-CD 3.43Å; L139-R159 HydrophobicContact CD1-CG 3.63Å; L143-R159 HydrophobicContact CB-CB 4.34Å; L143-R159 HydrophobicContact CD1-CB 4.17Å; L144-R159 CarbonylContact O-C 3.48Å; L144-R159 VanDerWaalsContact O-CA 3.3Å; L144-R159 WeakPolarHBondContact O-CA 3.49Å; R159-D185 IonicContact CZ-OD1 3.9Å; R159-D185 PolarHBondContact NH1-O 3.49Å; R159-D185 IonicContact NH1-OD1 2.85Å; R159-D185 PolarHBondContact NH1-OD1 3.03Å; R159-F188 HydrophobicContact CG-CB 3.81Å; R159-F188 HydrophobicContact CG-CD2 4.01Å; R159-F188 HydrophobicContact CG-CG 3.92Å; R159-F188 VanDerWaalsContact NE-CB 3.28Å; R159-F188 PolarHBondContact NH2-O 3.34Å
160A97.6Very high97.1Very high8 Ų856.5 Ų56.57%0.06628%0.28CS..EExtended strand (participates in β ladder)trans-122150.1171.900000110.3L123 L144 V146 V165L123-A160 HydrophobicContact CD2-CB 3.87Å; L144-A160 PolarHBondContact N-O 3.24Å; L144-A160 PolarHBondContact O-N 3.01Å; V146-A160 HydrophobicContact CG2-CB 4.05Å; A160-V165 HydrophobicContact CB-CG2 4.15Å
161H97.9Very high97Very high86 Ų8659.4 Ų59.440%0.39829%0.29SS..  trans-91.5132.7175.6-169.9-83.9000109.6L143 K163 F164L143-H161 HydrophobicContact CD2-CB 4.08Å; H161-K163 VanDerWaalsContact C-N 3.25Å; H161-K163 PolarHBondContact ND1-N 3.2Å; H161-K163 PolarHBondContact O-N 3.29Å; H161-K163 VanDerWaalsContact O-N 3.13Å; H161-F164 HydrophobicContact CB-CD2 3.77Å; H161-F164 HydrophobicContact CB-CE2 4.35Å; H161-F164 PolarHBondContact O-N 3.27Å
162Q97.4Very high97.1Very high33 Ų3356.9 Ų56.915%0.15427%0.266CS..G310 helixtrans-55.4-33.9-174.7-177.2-176.6-32.800115K110 I115 L144 F164K110-Q162 PolarHBondContact O-OE1 2.92Å; K110-Q162 VanDerWaalsContact O-OE1 3.08Å; I115-Q162 HydrophobicContact CD1-CG 3.66Å; L144-Q162 HydrophobicContact CD1-CB 4.21Å; L144-Q162 HydrophobicContact CD2-CB 4.39Å; L144-Q162 HydrophobicContact CG-CB 4.29Å; Q162-F164 VanDerWaalsContact C-N 3.3Å; Q162-F164 PolarHBondContact O-N 3.09Å
163K97.7Very high97.1Very high170 Ų17060.8 Ų60.874%0.73929%0.287SS*.G310 helixtrans-69.9-24.2178.1-68.4-174.6176.8-171.90113.9H161 V165H161-K163 VanDerWaalsContact C-N 3.25Å; H161-K163 PolarHBondContact ND1-N 3.2Å; H161-K163 PolarHBondContact O-N 3.29Å; H161-K163 VanDerWaalsContact O-N 3.13Å; K163-V165 VanDerWaalsContact C-N 3.3Å; K163-V165 PolarHBondContact O-N 3.08Å
164F97.9Very high97Very high104 Ų10461 Ų6146%0.45629%0.289SS..G310 helixtrans-101.530.1-174.6-59.6-50.6000112.1L124 T125 H161 Q162L124-F164 WeakPolarHBondContact CB-O 3.4Å; L124-F164 PolarHBondContact N-O 3.22Å; T125-F164 HydrophobicContact CG2-CB 3.81Å; T125-F164 HydrophobicContact CG2-CD1 3.82Å; T125-F164 HydrophobicContact CG2-CG 3.83Å; T125-F164 WeakPolarHBondContact OG1-CB 3.41Å; H161-F164 HydrophobicContact CB-CD2 3.77Å; H161-F164 HydrophobicContact CB-CE2 4.35Å; H161-F164 PolarHBondContact O-N 3.27Å; Q162-F164 VanDerWaalsContact C-N 3.3Å; Q162-F164 PolarHBondContact O-N 3.09Å
165V98.2Very high96.7Very high4 Ų457.8 Ų57.82%0.02429%0.292CS..EExtended strand (participates in β ladder)trans-142.1135-1751770000109.4R112 L121 I122 L123 A160 K163R112-V165 PolarHBondContact NH1-O 3.38Å; R112-V165 VanDerWaalsContact NH1-O 3.15Å; L121-V165 HydrophobicContact CB-CG1 3.48Å; L121-V165 VanDerWaalsContact CB-CG1 3.48Å; L121-V165 HydrophobicContact CD1-CG1 3.92Å; L121-V165 HydrophobicContact CD2-CG1 3.69Å; L121-V165 HydrophobicContact CG-CG1 3.85Å; I122-V165 VanDerWaalsContact O-CA 3.3Å; I122-V165 WeakPolarHBondContact O-CA 3.45Å; L123-V165 HydrophobicContact CD2-CG2 3.9Å; A160-V165 HydrophobicContact CB-CG2 4.15Å; K163-V165 VanDerWaalsContact C-N 3.3Å; K163-V165 PolarHBondContact O-N 3.08Å
166I98.1Very high96.3Very high34 Ų3461 Ų6117%0.17433%0.326CS..EExtended strand (participates in β ladder)trans-91.6128.7166.1-53.9178.1000107.5L121 I122 L124 F259L121-I166 CarbonylContact C-O 3.35Å; L121-I166 WeakPolarHBondContact CA-O 3.45Å; I122-I166 HydrophobicContact CB-CB 4.17Å; I122-I166 HydrophobicContact CD1-CB 4.46Å; I122-I166 PolarHBondContact N-O 3.49Å; I122-I166 PolarHBondContact O-N 3.13Å; L124-I166 HydrophobicContact CD1-CD1 4.37Å; L124-I166 HydrophobicContact CD1-CG1 3.9Å; L124-I166 HydrophobicContact CD2-CD1 3.82Å; L124-I166 HydrophobicContact CD2-CG1 3.98Å; L124-I166 HydrophobicContact CG-CG1 4.15Å; I166-F259 HydrophobicContact CD1-CD1 4.47Å; I166-F259 HydrophobicContact CD1-CE1 4.06Å; I166-F259 HydrophobicContact CD1-CZ 4.1Å; I166-F259 HydrophobicContact CG2-CB 3.67Å; I166-F259 HydrophobicContact CG2-CD1 3.74Å; I166-F259 HydrophobicContact CG2-CD2 4.08Å; I166-F259 HydrophobicContact CG2-CE1 4.36Å; I166-F259 HydrophobicContact CG2-CG 3.56Å
167A98.3Very high96Very high9 Ų959.6 Ų59.67%0.07432%0.315CS..EExtended strand (participates in β ladder)trans-90.6125.2172.400000107.3S114 I115 T119 L121S114-A167 WeakPolarHBondContact OG-CB 3.1Å; I115-A167 HydrophobicContact CG1-CB 3.71Å; T119-A167 HydrophobicContact CG2-CB 4.45Å; L121-A167 HydrophobicContact CD2-CB 3.94Å
168T97.9Very high95.8Very high6 Ų667.1 Ų67.14%0.03735%0.347CS..EExtended strand (participates in β ladder)trans-89.8165.9175.7590000110.7T119 V120 I122 T170 F259T119-T168 WeakPolarHBondContact CG2-O 3.45Å; V120-T168 WeakPolarHBondContact CB-OG1 3.3Å; V120-T168 PolarHBondContact O-N 3.16Å; V120-T168 PolarHBondContact O-OG1 3.48Å; I122-T168 HydrophobicContact CD1-CG2 3.83Å; I122-T168 HydrophobicContact CG1-CG2 3.93Å; T168-T170 VanDerWaalsContact C-N 3.26Å; T168-T170 WeakPolarHBondContact CB-OG1 3.48Å; T168-T170 PolarHBondContact OG1-OG1 2.98Å; T168-F259 WeakPolarHBondContact CA-OXT 3.22Å; T168-F259 WeakPolarHBondContact CB-OXT 3.34Å
169T97.1Very high95.6Very high100 Ų10064.3 Ų64.361%0.61334%0.339SS*.EExtended strand (participates in β ladder)trans-69-25.3172.646.90000112.9K171 F259T169-K171 PolarHBondContact O-N 3.5Å; T169-F259 WeakPolarHBondContact CG2-O 3.3Å; T169-F259 PolarHBondContact N-O 3.28Å; T169-F259 PolarHBondContact N-OXT 3.01Å; T169-F259 PolarHBondContact OG1-OXT 3.15Å
170T96.4Very high95.3Very high52 Ų5263 Ų6332%0.31934%0.339SS..EExtended strand (participates in β ladder)trans-64.7126178.921.60000112V120 T168V120-T170 PolarHBondContact N-O 3.27Å; T168-T170 VanDerWaalsContact C-N 3.26Å; T168-T170 WeakPolarHBondContact CB-OG1 3.48Å; T168-T170 PolarHBondContact OG1-OG1 2.98Å
171K96.1Very high95Very high127 Ų12772.1 Ų72.155%0.55238%0.377SS*.EExtended strand (participates in β ladder)trans-131.4141.9-179-65.9176.4-172.4178.50110.5T116 T119 T169T116-K171 WeakPolarHBondContact OG1-CE 3.42Å; T119-K171 HydrophobicContact CG2-CG 4.41Å; T169-K171 PolarHBondContact O-N 3.5Å
172I95.6Very high94.7Very high14 Ų1471.7 Ų71.77%0.07238%0.381CS..  trans-107.1135.1169.9-58.4162.5000106.5G118 V120 V134 I174 L228 L231 I232 L238G118-I172 WeakPolarHBondContact CA-O 3.34Å; G118-I172 PolarHBondContact O-N 2.83Å; V120-I172 HydrophobicContact CG2-CD1 4.42Å; V134-I172 HydrophobicContact CG1-CD1 4.12Å; V134-I172 HydrophobicContact CG2-CD1 3.65Å; I172-I174 HydrophobicContact CB-CG1 4.38Å; I172-I174 HydrophobicContact CG2-CG1 4.15Å; I172-I174 PolarHBondContact O-N 2.88Å; I172-L228 HydrophobicContact CG2-CD1 4.47Å; I172-L231 HydrophobicContact CG2-CB 3.96Å; I172-I232 HydrophobicContact CD1-CD1 4.41Å; I172-I232 HydrophobicContact CD1-CG1 3.8Å; I172-L238 HydrophobicContact CD1-CD2 3.85Å; I172-L238 HydrophobicContact CG1-CD2 3.71Å
173D94.8Very high94.6Very high117 Ų11770.1 Ų70.163%0.62637%0.373SS*.  trans-73119.2171.9-176.717.1000110.3S175 L231D173-S175 WeakPolarHBondContact OD1-CB 3.38Å; D173-S175 PolarHBondContact OD1-N 3.14Å; D173-S175 PolarHBondContact OD1-OG 2.73Å; D173-S175 PolarHBondContact OD2-OG 2.84Å; D173-S175 VanDerWaalsContact OD2-OG 3.09Å; D173-L231 WeakPolarHBondContact O-CD1 3.32Å
174I93.8Very high94.5Very high12 Ų1265 Ų656%0.06235%0.354CS..  trans-117.78.5-177.7-60.1-171.3000110.9V134 L136 I172 G176 M177 L228V134-I174 HydrophobicContact CG1-CD1 3.49Å; V134-I174 VanDerWaalsContact CG1-CD1 3.49Å; L136-I174 HydrophobicContact CD2-CD1 4.25Å; I172-I174 HydrophobicContact CB-CG1 4.38Å; I172-I174 HydrophobicContact CG2-CG1 4.15Å; I172-I174 PolarHBondContact O-N 2.88Å; I174-G176 PolarHBondContact O-N 2.81Å; I174-G176 VanDerWaalsContact O-N 3.12Å; I174-M177 HydrophobicContact CG2-CB 3.59Å; I174-M177 HydrophobicContact CG2-CE 3.2Å; I174-M177 HydrophobicContact CG2-CG 4.34Å; I174-M177 HydrophobicContact CG2-SD 4.05Å; I174-M177 WeakPolarHBondContact O-CB 3.3Å; I174-M177 PolarHBondContact O-N 3.19Å; I174-L228 HydrophobicContact CD1-CD1 3.82Å; I174-L228 HydrophobicContact CG1-CD1 4.29Å
175S91.7Very high94.4Very high102 Ų10261.1 Ų61.171%0.71334%0.338SS*.THydrogen-bonded Turntrans-51.9-38-177.9600000113.8D173D173-S175 WeakPolarHBondContact OD1-CB 3.38Å; D173-S175 PolarHBondContact OD1-N 3.14Å; D173-S175 PolarHBondContact OD1-OG 2.73Å; D173-S175 PolarHBondContact OD2-OG 2.84Å; D173-S175 VanDerWaalsContact OD2-OG 3.09Å
176G88.4Confident94.2Very high69 Ų6965.8 Ų65.871%0.71137%0.367SS*.THydrogen-bonded Turntrans-81.3-7.4179.300000116I174I174-G176 PolarHBondContact O-N 2.81Å; I174-G176 VanDerWaalsContact O-N 3.12Å
177M91.6Very high94.1Very high20 Ų2066 Ų6610%0.09937%0.366CS..  trans-84.6130.6-173.5-169.917669.400112.2L136 I174 I179 V224 Q227 L228L136-M177 HydrophobicContact CD2-CE 3.5Å; L136-M177 VanDerWaalsContact CD2-CE 3.5Å; I174-M177 HydrophobicContact CG2-CB 3.59Å; I174-M177 HydrophobicContact CG2-CE 3.2Å; I174-M177 HydrophobicContact CG2-CG 4.34Å; I174-M177 HydrophobicContact CG2-SD 4.05Å; I174-M177 WeakPolarHBondContact O-CB 3.3Å; I174-M177 PolarHBondContact O-N 3.19Å; M177-I179 HydrophobicContact CE-CD1 4.12Å; M177-I179 HydrophobicContact CE-CG1 3.74Å; M177-I179 PolarHBondContact O-N 2.84Å; M177-V224 HydrophobicContact SD-CG1 4.42Å; M177-Q227 HydrophobicContact CG-CB 3.89Å; M177-Q227 VanDerWaalsContact CG-OE1 3.28Å; M177-Q227 HydrophobicContact SD-CB 4.11Å; M177-L228 HydrophobicContact SD-CB 4.39Å
178K91.7Very high94Very high174 Ų17466.6 Ų66.676%0.75737%0.367SS*.  trans-91.7103.1177.5-66.9179.2-175.6173.20110.1P180 Q227K178-P180 WeakPolarHBondContact O-CD 3.41Å; K178-Q227 VanDerWaalsContact N-OE1 3.08Å
179I91.1Very high93.8Very high43 Ų4373.5 Ų73.522%0.22140%0.396CS..  trans-82.1122.8174.2-58.4163.8000109.3L136 K137 L145 M177 K181 L183L136-I179 HydrophobicContact CB-CD1 3.88Å; K137-I179 HydrophobicContact CB-CD1 4.31Å; K137-I179 HydrophobicContact CD-CD1 4.47Å; K137-I179 HydrophobicContact CD-CG2 4.05Å; K137-I179 HydrophobicContact CG-CD1 4.31Å; L145-I179 HydrophobicContact CD2-CG2 4.3Å; M177-I179 HydrophobicContact CE-CD1 4.12Å; M177-I179 HydrophobicContact CE-CG1 3.74Å; M177-I179 PolarHBondContact O-N 2.84Å; I179-K181 PolarHBondContact O-N 2.98Å; I179-L183 HydrophobicContact CG2-CD1 4.26Å
180P92Very high93.4Very high39 Ų3977.6 Ų77.625%0.25341%0.406SS..  trans-56.6136.1179-2533000112.7K178 T182 L183K178-P180 WeakPolarHBondContact O-CD 3.41Å; P180-T182 WeakPolarHBondContact CB-OG1 3.37Å; P180-T182 PolarHBondContact O-N 2.99Å; P180-L183 HydrophobicContact CB-CD1 4.49Å; P180-L183 HydrophobicContact CB-CG 4.25Å; P180-L183 HydrophobicContact CG-CD1 4.36Å; P180-L183 PolarHBondContact O-N 3.33Å
181K91.1Very high93Very high199 Ų19984.1 Ų84.187%0.86543%0.43SS*.THydrogen-bonded Turntrans-67.3-23177.2-67.2178.6-176.9172.50112.3I179 L183I179-K181 PolarHBondContact O-N 2.98Å; K181-L183 PolarHBondContact O-N 2.93Å
182T92.5Very high92.4Very high77 Ų7789 Ų8947%0.47244%0.444SS..THydrogen-bonded Turntrans-60.8-28.9174.852.20000112.6P180 N184P180-T182 WeakPolarHBondContact CB-OG1 3.37Å; P180-T182 PolarHBondContact O-N 2.99Å; T182-N184 VanDerWaalsContact C-N 3.33Å; T182-N184 PolarHBondContact O-N 3.35Å; T182-N184 PolarHBondContact O-OD1 2.7Å
183L94.7Very high91.5Very high0 Ų094.2 Ų94.20%047%0.472CS..  trans-74.183.3177.2-60.8-179000110.9K137 L145 L157 I179 P180 K181 Y187 F188 D220 V224K137-L183 WeakPolarHBondContact CE-O 3.09Å; K137-L183 PolarHBondContact NZ-O 2.92Å; L145-L183 HydrophobicContact CD2-CB 4.19Å; L145-L183 HydrophobicContact CD2-CD1 4.29Å; L157-L183 HydrophobicContact CD1-CD1 4.15Å; I179-L183 HydrophobicContact CG2-CD1 4.26Å; P180-L183 HydrophobicContact CB-CD1 4.49Å; P180-L183 HydrophobicContact CB-CG 4.25Å; P180-L183 HydrophobicContact CG-CD1 4.36Å; P180-L183 PolarHBondContact O-N 3.33Å; K181-L183 PolarHBondContact O-N 2.93Å; L183-Y187 HydrophobicContact CD2-CD1 3.98Å; L183-Y187 HydrophobicContact CD2-CE1 3.71Å; L183-Y187 HydrophobicContact CD2-CE2 4.23Å; L183-Y187 HydrophobicContact CD2-CG 4.37Å; L183-F188 HydrophobicContact CB-CE2 4.26Å; L183-F188 HydrophobicContact CD2-CE2 4.36Å; L183-F188 HydrophobicContact CD2-CZ 4.04Å; L183-D220 HydrophobicContact CD2-CB 4.46Å; L183-V224 HydrophobicContact CD1-CG2 4.41Å
184N95.8Very high90.6Very high64 Ų6499.7 Ų99.734%0.34248%0.484SS..SBendtrans-123.7177.9-17965.815.4000111.8T182 T186 Y187 F188T182-N184 VanDerWaalsContact C-N 3.33Å; T182-N184 PolarHBondContact O-N 3.35Å; T182-N184 PolarHBondContact O-OD1 2.7Å; N184-T186 PolarHBondContact ND2-OG1 3.24Å; N184-T186 VanDerWaalsContact ND2-OG1 3.14Å; N184-T186 PolarHBondContact O-N 3.25Å; N184-T186 PolarHBondContact OD1-N 2.71Å; N184-T186 PolarHBondContact OD1-OG1 2.6Å; N184-Y187 WeakPolarHBondContact O-CB 3.33Å; N184-Y187 PolarHBondContact O-N 3.29Å; N184-Y187 WeakPolarHBondContact OD1-CB 3.45Å; N184-Y187 PolarHBondContact OD1-N 3.19Å; N184-F188 VanDerWaalsContact O-CD2 3.28Å; N184-F188 WeakPolarHBondContact O-CD2 3.4Å; N184-F188 PolarHBondContact O-N 3.3Å
185D95.7Very high89.7Confident22 Ų22108.1 Ų108.112%0.11852%0.52CS..THydrogen-bonded Turntrans-61.8-30-179-82.5-66.9000114.3L139 S140 S141 R159 K189L139-D185 WeakPolarHBondContact CB-OD2 3.39Å; S140-D185 PolarHBondContact N-OD2 3.45Å; S140-D185 PolarHBondContact OG-OD2 2.74Å; S141-D185 VanDerWaalsContact CB-CG 3.46Å; S141-D185 VanDerWaalsContact CB-OD1 3.32Å; S141-D185 WeakPolarHBondContact CB-OD1 3.45Å; S141-D185 VanDerWaalsContact CB-OD2 3.24Å; S141-D185 WeakPolarHBondContact CB-OD2 3.44Å; S141-D185 PolarHBondContact N-OD2 2.96Å; S141-D185 PolarHBondContact OG-OD1 2.96Å; S141-D185 PolarHBondContact OG-OD2 2.83Å; R159-D185 IonicContact CZ-OD1 3.9Å; R159-D185 PolarHBondContact NH1-O 3.49Å; R159-D185 IonicContact NH1-OD1 2.85Å; R159-D185 PolarHBondContact NH1-OD1 3.03Å; D185-K189 PolarHBondContact O-N 3.26Å
186T95.1Very high88.9Confident102 Ų102107.6 Ų107.663%0.62651%0.514SS*.THydrogen-bonded Turntrans-70-38.8177.744.20000111.6N184 F188 K189N184-T186 PolarHBondContact ND2-OG1 3.24Å; N184-T186 VanDerWaalsContact ND2-OG1 3.14Å; N184-T186 PolarHBondContact O-N 3.25Å; N184-T186 PolarHBondContact OD1-N 2.71Å; N184-T186 PolarHBondContact OD1-OG1 2.6Å; T186-F188 VanDerWaalsContact C-N 3.28Å; T186-F188 PolarHBondContact O-N 2.89Å; T186-K189 WeakPolarHBondContact O-CB 3.4Å; T186-K189 PolarHBondContact O-N 3.08Å; T186-K189 VanDerWaalsContact O-N 3.15Å
187Y95.5Very high88.1Confident38 Ų38115.5 Ų115.515%0.14952%0.523CS..THydrogen-bonded Turntrans-58-39.2176.1-179.4-85.6000112.6L183 N184 R217 D220L183-Y187 HydrophobicContact CD2-CD1 3.98Å; L183-Y187 HydrophobicContact CD2-CE1 3.71Å; L183-Y187 HydrophobicContact CD2-CE2 4.23Å; L183-Y187 HydrophobicContact CD2-CG 4.37Å; N184-Y187 WeakPolarHBondContact O-CB 3.33Å; N184-Y187 PolarHBondContact O-N 3.29Å; N184-Y187 WeakPolarHBondContact OD1-CB 3.45Å; N184-Y187 PolarHBondContact OD1-N 3.19Å; Y187-R217 HydrophobicContact CE1-CG 4.01Å; Y187-R217 PolarHBondContact O-NH2 3.14Å; Y187-R217 WeakPolarHBondContact OH-CA 3.34Å; Y187-R217 WeakPolarHBondContact OH-CG 3.31Å; Y187-D220 WeakPolarHBondContact CE2-OD2 3.47Å; Y187-D220 VanDerWaalsContact CZ-OD2 3.26Å; Y187-D220 PolarHBondContact OH-OD2 3.08Å
188F94.9Very high87.4Confident21 Ų21122.3 Ų122.39%0.09255%0.554CS.*THydrogen-bonded Turntrans-94.24.8-179.5-64-72.9000114.1L139 L145 L157 R159 L183 N184 T186L139-F188 HydrophobicContact CD1-CD2 4.4Å; L145-F188 HydrophobicContact CD1-CD2 4.47Å; L145-F188 HydrophobicContact CD1-CE1 4.46Å; L145-F188 HydrophobicContact CD1-CE2 3.56Å; L145-F188 HydrophobicContact CD1-CZ 3.55Å; L157-F188 HydrophobicContact CB-CE1 4.16Å; L157-F188 HydrophobicContact CB-CZ 4.18Å; L157-F188 WeakPolarHBondContact O-CE1 3.34Å; R159-F188 HydrophobicContact CG-CB 3.81Å; R159-F188 HydrophobicContact CG-CD2 4.01Å; R159-F188 HydrophobicContact CG-CG 3.92Å; R159-F188 VanDerWaalsContact NE-CB 3.28Å; R159-F188 PolarHBondContact NH2-O 3.34Å; L183-F188 HydrophobicContact CB-CE2 4.26Å; L183-F188 HydrophobicContact CD2-CE2 4.36Å; L183-F188 HydrophobicContact CD2-CZ 4.04Å; N184-F188 VanDerWaalsContact O-CD2 3.28Å; N184-F188 WeakPolarHBondContact O-CD2 3.4Å; N184-F188 PolarHBondContact O-N 3.3Å; T186-F188 VanDerWaalsContact C-N 3.28Å; T186-F188 PolarHBondContact O-N 2.89Å
189K93.8Very high86.2Confident151 Ų151123 Ų12366%0.65756%0.56SS**SBendtrans-70.3133.8176.2-168.1175.1178.6-177.20108.8D185 T186 K191D185-K189 PolarHBondContact O-N 3.26Å; T186-K189 WeakPolarHBondContact O-CB 3.4Å; T186-K189 PolarHBondContact O-N 3.08Å; T186-K189 VanDerWaalsContact O-N 3.15Å; K189-K191 PolarHBondContact O-N 3.48Å
190K90.3Very high84.9Confident187 Ų187129.6 Ų129.681%0.81359%0.589SS**PPolyproline II helixtrans-63.3128.9173.9-69-173.9175.8-172.60108.7
191K87.1Confident83.4Confident189 Ų189131.1 Ų131.182%0.82261%0.612SS**PPolyproline II helixtrans-69.4135.7167.1-63.3-175.1179.1-177.30107.4K189K189-K191 PolarHBondContact O-N 3.48Å
192R83.1Confident82Confident229 Ų229128.2 Ų128.286%0.86460%0.602SS**  trans-117.2122.1171.7-69.1-175.4175.1-176.2-3.7105.9
193L77.8Confident80.7Confident124 Ų124130.3 Ų130.365%0.64961%0.609SS**PPolyproline II helixtrans-74.1156.2171.7-62.9173.7000109.1E209L193-E209 HydrophobicContact CD1-CG 4.4Å
194R75.4Confident79.4Confident231 Ų231139.3 Ų139.387%0.87265%0.648SS**PPolyproline II helixtrans-75.9137.5173.6-72.4-177.2174.1178.5-1.4107.6
195K74Confident77.6Confident190 Ų190142.4 Ų142.483%0.82667%0.665SS**PPolyproline II helixtrans-60.1138.7169.8-65.7-173174.7-1690108.9
196P74.8Confident76.2Confident91 Ų91145.2 Ų145.259%0.59168%0.683SS**PPolyproline II helixtrans-57.2149.6170.324.3-31.2000109.6H198 T206P196-H198 VanDerWaalsContact C-N 3.29Å; P196-H198 PolarHBondContact O-N 3.04Å; P196-T206 HydrophobicContact CG-CG2 4.2Å
197R73.3Confident74.9Confident235 Ų235149.1 Ų149.189%0.88769%0.694SS**SBendtrans-80.4-7.5-172-76.7-177.7173.6177.1-2.8113.8
198H75.2Confident73.7Confident163 Ų163156.5 Ų156.576%0.75573%0.727SS**  trans-75.7130.7-177.8-65.3-66.1000110.8P196P196-H198 VanDerWaalsContact C-N 3.29Å; P196-H198 PolarHBondContact O-N 3.04Å
199Q67.3Low72.5Confident189 Ų189162.3 Ų162.388%0.88375%0.754SS**  trans-92.4-17.4-169.6-90.7176-20.500113.8
200E64.3Low71.9Confident180 Ų180164 Ų16484%0.84176%0.762SS**SBendtrans-143.1141-174.8-67.5-178.2163.800111.4
201G61Low71.5Confident71 Ų71162 Ų16273%0.73275%0.75SS**SBendtrans109.9-56.1166.100000116.9I203G201-I203 PolarHBondContact O-N 3.21Å
202E61Low71.5Confident138 Ų138161 Ų16165%0.64575%0.748SS**  trans-102.141.5-167-63.9179.6169.800113.6F204E202-F204 PolarHBondContact O-N 3.03Å
203I65.3Low71.8Confident121 Ų121154.7 Ų154.762%0.62173%0.731SS**THydrogen-bonded Turntrans-68.8-24.5-174.8-64.2170.3000112G201G201-I203 PolarHBondContact O-N 3.21Å
204F66.7Low72.6Confident189 Ų189151.5 Ų151.583%0.82972%0.717SS**THydrogen-bonded Turntrans-107.4-14.7-173.9-63.1-75.1000114.6E202E202-F204 PolarHBondContact O-N 3.03Å
205D57.9Low73.5Confident130 Ų130147.4 Ų147.470%0.69571%0.708SS**THydrogen-bonded Turntrans-86.4-5.5180-67.3-35.8000113.8E207D205-E207 PolarHBondContact O-N 3.31Å
206T66.7Low74.4Confident81 Ų81143.6 Ų143.650%0.49769%0.693SS.*SBendtrans-67.7105.4168.449.10000110.1P196 K208P196-T206 HydrophobicContact CG-CG2 4.2Å; T206-K208 PolarHBondContact O-N 2.87Å; T206-K208 VanDerWaalsContact O-N 3.14Å
207E68.1Low75.4Confident184 Ų184142.4 Ų142.486%0.8668%0.676SS**  trans-45.1122.6173.3-70-170.7159.400110.4D205 E209D205-E207 PolarHBondContact O-N 3.31Å; E207-E209 PolarHBondContact O-N 2.65Å
208K69Low76.4Confident193 Ų193136 Ų13684%0.83966%0.655SS**  trans-55.9117.9178.7-76.2-178.7-178.8170.20109.2T206 K210T206-K208 PolarHBondContact O-N 2.87Å; T206-K208 VanDerWaalsContact O-N 3.14Å; K208-K210 PolarHBondContact O-N 2.85Å
209E71.4Confident77.4Confident142 Ų142134.1 Ų134.166%0.66465%0.647SS**  trans-53.598.9-178.4-63.6-178.8179.100111.6L193 E207L193-E209 HydrophobicContact CD1-CG 4.4Å; E207-E209 PolarHBondContact O-N 2.65Å
210K79.7Confident78.7Confident186 Ų186126.4 Ų126.481%0.80961%0.611SS**  trans-87.5125.7170.7-70.2177.5-172.7170.30108.5K208 Q212K208-K210 PolarHBondContact O-N 2.85Å; K210-Q212 PolarHBondContact O-N 3.3Å; K210-Q212 VanDerWaalsContact O-N 3.13Å
211Y83.1Confident80.2Confident147 Ų147118.3 Ų118.358%0.57657%0.573SS**  trans-64.3115.6174.9172.8-102.1000110.3L213 R217Y211-L213 HydrophobicContact CE1-CB 4.48Å; Y211-L213 HydrophobicContact CE1-CD1 4.25Å; Y211-R217 WeakPolarHBondContact OH-CD 3.42Å; Y211-R217 PolarHBondContact OH-NH1 3.49Å
212Q85.6Confident81.8Confident167 Ų167122.1 Ų122.178%0.7857%0.57SS**  trans-89.6135.6170.6-66.6-177.5-5.500110.7K210 T214K210-Q212 PolarHBondContact O-N 3.3Å; K210-Q212 VanDerWaalsContact O-N 3.13Å; Q212-T214 PolarHBondContact O-N 3.18Å
213L90.1Very high83.5Confident97 Ų97117.9 Ų117.951%0.50856%0.559SS.*  trans-79.6114.4-179.7-177.763000110.3Y211 R217 K218Y211-L213 HydrophobicContact CE1-CB 4.48Å; Y211-L213 HydrophobicContact CE1-CD1 4.25Å; L213-R217 HydrophobicContact CD1-CB 3.79Å; L213-K218 HydrophobicContact CD2-CD 4.26Å; L213-K218 HydrophobicContact CD2-CG 3.65Å; L213-K218 HydrophobicContact CG-CG 3.93Å
214T93.8Very high84.9Confident56 Ų56112.2 Ų112.234%0.34453%0.529SS..  trans-68143.6175.953.30000111.7Q212 Q216 R217 K218Q212-T214 PolarHBondContact O-N 3.18Å; T214-Q216 VanDerWaalsContact C-N 3.32Å; T214-Q216 PolarHBondContact O-N 3.12Å; T214-R217 WeakPolarHBondContact O-CB 3.29Å; T214-R217 PolarHBondContact O-N 3.26Å; T214-R217 WeakPolarHBondContact OG1-CG 3.41Å; T214-K218 PolarHBondContact O-N 3.42Å
215E95.2Very high86.3Confident145 Ų145103.8 Ų103.868%0.67849%0.493SS*.Hα-helixtrans-57.3-43.1178.6-65.9179161.200112.6R217 K218 E219E215-R217 PolarHBondContact O-N 3.23Å; E215-R217 VanDerWaalsContact O-N 3.08Å; E215-K218 WeakPolarHBondContact O-CA 3.47Å; E215-K218 VanDerWaalsContact O-CB 3.31Å; E215-K218 WeakPolarHBondContact O-CB 3.48Å; E215-K218 PolarHBondContact O-N 2.91Å; E215-E219 PolarHBondContact O-N 2.65Å
216Q94Very high88.1Confident110 Ų110100.7 Ų100.751%0.51449%0.485SS..Hα-helixtrans-49.8-39.5173.6-173.8-179.314.600113.2T214 E219 D220T214-Q216 VanDerWaalsContact C-N 3.32Å; T214-Q216 PolarHBondContact O-N 3.12Å; Q216-E219 PolarHBondContact O-N 2.88Å; Q216-D220 WeakPolarHBondContact O-CB 3.45Å; Q216-D220 VanDerWaalsContact O-CG 3.28Å; Q216-D220 PolarHBondContact O-N 3.32Å
217R94.3Very high89.5Confident66 Ų66100.3 Ų100.325%0.24948%0.478CS..Hα-helixtrans-72-30.7178.6-85.5177.3174.7-159.82.7112.6Y187 Y211 L213 T214 E215 Q221Y187-R217 HydrophobicContact CE1-CG 4.01Å; Y187-R217 PolarHBondContact O-NH2 3.14Å; Y187-R217 WeakPolarHBondContact OH-CA 3.34Å; Y187-R217 WeakPolarHBondContact OH-CG 3.31Å; Y211-R217 WeakPolarHBondContact OH-CD 3.42Å; Y211-R217 PolarHBondContact OH-NH1 3.49Å; L213-R217 HydrophobicContact CD1-CB 3.79Å; T214-R217 WeakPolarHBondContact O-CB 3.29Å; T214-R217 PolarHBondContact O-N 3.26Å; T214-R217 WeakPolarHBondContact OG1-CG 3.41Å; E215-R217 PolarHBondContact O-N 3.23Å; E215-R217 VanDerWaalsContact O-N 3.08Å; R217-Q221 VanDerWaalsContact O-CB 3.29Å; R217-Q221 WeakPolarHBondContact O-CB 3.49Å; R217-Q221 PolarHBondContact O-N 3.02Å
218K95Very high90.7Very high101 Ų10191.6 Ų91.644%0.43944%0.437SS..Hα-helixtrans-68.9-43.7175-61.7176.1-177.8171.50109.9L213 T214 E215 Q221 K222L213-K218 HydrophobicContact CD2-CD 4.26Å; L213-K218 HydrophobicContact CD2-CG 3.65Å; L213-K218 HydrophobicContact CG-CG 3.93Å; T214-K218 PolarHBondContact O-N 3.42Å; E215-K218 WeakPolarHBondContact O-CA 3.47Å; E215-K218 VanDerWaalsContact O-CB 3.31Å; E215-K218 WeakPolarHBondContact O-CB 3.48Å; E215-K218 PolarHBondContact O-N 2.91Å; K218-Q221 PolarHBondContact O-N 3.35Å; K218-K222 VanDerWaalsContact O-CG 3.3Å; K218-K222 WeakPolarHBondContact O-CG 3.24Å; K218-K222 PolarHBondContact O-N 3.17Å
219E95.4Very high92Very high124 Ų12484.6 Ų84.658%0.57941%0.409SS*.Hα-helixtrans-66.2-50178.9-68.2172.7179.700112.2E215 Q216 Q221 K222 A223E215-E219 PolarHBondContact O-N 2.65Å; Q216-E219 PolarHBondContact O-N 2.88Å; E219-Q221 PolarHBondContact O-N 2.85Å; E219-K222 PolarHBondContact O-N 2.83Å; E219-K222 VanDerWaalsContact O-N 3.12Å; E219-A223 WeakPolarHBondContact O-CB 3.32Å; E219-A223 PolarHBondContact O-N 3.21Å
220D95.1Very high93.1Very high26 Ų2680.8 Ų80.814%0.13940%0.397CS..Hα-helixtrans-57.8-39.1177.4-75-36.4000111.4L183 Y187 Q216 V224L183-D220 HydrophobicContact CD2-CB 4.46Å; Y187-D220 WeakPolarHBondContact CE2-OD2 3.47Å; Y187-D220 VanDerWaalsContact CZ-OD2 3.26Å; Y187-D220 PolarHBondContact OH-OD2 3.08Å; Q216-D220 WeakPolarHBondContact O-CB 3.45Å; Q216-D220 VanDerWaalsContact O-CG 3.28Å; Q216-D220 PolarHBondContact O-N 3.32Å; D220-V224 WeakPolarHBondContact O-CG2 3.39Å; D220-V224 PolarHBondContact O-N 3.16Å
221Q96.1Very high93.9Very high10 Ų1074.1 Ų74.15%0.04737%0.37CS..Hα-helixtrans-64.9-49.3175.5-174.869.342.900111.7T147 L150 R217 K218 E219 A223 V224 D225T147-Q221 PolarHBondContact OG1-NE2 3.07Å; L150-Q221 HydrophobicContact CB-CG 4.1Å; L150-Q221 HydrophobicContact CD2-CG 4.17Å; R217-Q221 VanDerWaalsContact O-CB 3.29Å; R217-Q221 WeakPolarHBondContact O-CB 3.49Å; R217-Q221 PolarHBondContact O-N 3.02Å; K218-Q221 PolarHBondContact O-N 3.35Å; E219-Q221 PolarHBondContact O-N 2.85Å; Q221-A223 VanDerWaalsContact C-N 3.29Å; Q221-A223 PolarHBondContact O-N 3.43Å; Q221-V224 PolarHBondContact O-N 2.94Å; Q221-D225 PolarHBondContact NE2-OD1 3.2Å; Q221-D225 PolarHBondContact NE2-OD2 3.19Å; Q221-D225 WeakPolarHBondContact O-CB 3.45Å; Q221-D225 PolarHBondContact O-N 3.18Å
222K95.3Very high94.4Very high152 Ų15267.2 Ų67.266%0.66134%0.342SS*.Hα-helixtrans-58-43.3179-75.7175-179.8-176.40110.9K218 E219 V224 D225 A226K218-K222 VanDerWaalsContact O-CG 3.3Å; K218-K222 WeakPolarHBondContact O-CG 3.24Å; K218-K222 PolarHBondContact O-N 3.17Å; E219-K222 PolarHBondContact O-N 2.83Å; E219-K222 VanDerWaalsContact O-N 3.12Å; K222-V224 PolarHBondContact O-N 3.08Å; K222-D225 PolarHBondContact O-N 3.25Å; K222-A226 WeakPolarHBondContact O-CB 3.44Å; K222-A226 PolarHBondContact O-N 3.15Å
223A95.2Very high94.9Very high49 Ų4965.6 Ų65.641%0.40533%0.333SS..Hα-helixtrans-63.9-39.1-179.700000113.1E219 Q221 Q227E219-A223 WeakPolarHBondContact O-CB 3.32Å; E219-A223 PolarHBondContact O-N 3.21Å; Q221-A223 VanDerWaalsContact C-N 3.29Å; Q221-A223 PolarHBondContact O-N 3.43Å; A223-Q227 PolarHBondContact O-NE2 2.82Å
224V95.6Very high95.1Very high1 Ų168.9 Ų68.91%0.00634%0.343CS..Hα-helixtrans-73.9-45.3176.5173.30000111.1L136 T147 L157 M177 L183 D220 Q221 K222 A226 Q227 L228L136-V224 HydrophobicContact CD1-CG1 4.06Å; T147-V224 HydrophobicContact CG2-CG1 4.38Å; L157-V224 HydrophobicContact CD1-CB 4.34Å; L157-V224 HydrophobicContact CD1-CG2 4.09Å; L157-V224 HydrophobicContact CD2-CG1 4.35Å; M177-V224 HydrophobicContact SD-CG1 4.42Å; L183-V224 HydrophobicContact CD1-CG2 4.41Å; D220-V224 WeakPolarHBondContact O-CG2 3.39Å; D220-V224 PolarHBondContact O-N 3.16Å; Q221-V224 PolarHBondContact O-N 2.94Å; K222-V224 PolarHBondContact O-N 3.08Å; V224-A226 VanDerWaalsContact C-N 3.32Å; V224-A226 PolarHBondContact O-N 2.89Å; V224-Q227 PolarHBondContact O-N 2.89Å; V224-L228 PolarHBondContact O-N 3.39Å; V224-L228 VanDerWaalsContact O-N 3.13Å
225D95.5Very high95Very high12 Ų1271.8 Ų71.86%0.06435%0.353CS..Hα-helixtrans-66.8-34.4-178.8-74.1-10000112T147 L150 Q221 K222 Q227 L228 L229T147-D225 PolarHBondContact OG1-OD1 3.15Å; L150-D225 WeakPolarHBondContact CB-OD2 3.31Å; L150-D225 PolarHBondContact N-OD2 3.4Å; Q221-D225 PolarHBondContact NE2-OD1 3.2Å; Q221-D225 PolarHBondContact NE2-OD2 3.19Å; Q221-D225 WeakPolarHBondContact O-CB 3.45Å; Q221-D225 PolarHBondContact O-N 3.18Å; K222-D225 PolarHBondContact O-N 3.25Å; D225-Q227 VanDerWaalsContact C-N 3.26Å; D225-Q227 PolarHBondContact O-N 3.35Å; D225-L228 PolarHBondContact O-N 3.17Å; D225-L229 HydrophobicContact CB-CD1 4.36Å; D225-L229 WeakPolarHBondContact O-CB 3.38Å; D225-L229 WeakPolarHBondContact O-CG 3.28Å; D225-L229 PolarHBondContact O-N 2.67Å
226A95.7Very high95Very high65 Ų6569.8 Ų69.854%0.53735%0.353SS..Hα-helixtrans-59.3-35.9175.400000112.6K222 V224 P230K222-A226 WeakPolarHBondContact O-CB 3.44Å; K222-A226 PolarHBondContact O-N 3.15Å; V224-A226 VanDerWaalsContact C-N 3.32Å; V224-A226 PolarHBondContact O-N 2.89Å; A226-P230 WeakPolarHBondContact O-CD 3.48Å; A226-P230 WeakPolarHBondContact O-CG 3.48Å
227Q95.6Very high95Very high74 Ų7473.1 Ų73.135%0.34637%0.368SS..Hα-helixtrans-78.3-34.7176.1-68.3173.363.400112.1M177 K178 A223 V224 D225M177-Q227 HydrophobicContact CG-CB 3.89Å; M177-Q227 VanDerWaalsContact CG-OE1 3.28Å; M177-Q227 HydrophobicContact SD-CB 4.11Å; K178-Q227 VanDerWaalsContact N-OE1 3.08Å; A223-Q227 PolarHBondContact O-NE2 2.82Å; V224-Q227 PolarHBondContact O-N 2.89Å; D225-Q227 VanDerWaalsContact C-N 3.26Å; D225-Q227 PolarHBondContact O-N 3.35Å
228L95.1Very high95.1Very high0 Ų070.6 Ų70.60%036%0.36CS..Hα-helixtrans-85-34.4-172.5-172.960.3000113.6V134 T147 P149 I172 I174 M177 V224 D225 L231 I232V134-L228 HydrophobicContact CB-CD2 4.19Å; V134-L228 HydrophobicContact CG1-CD1 4.42Å; V134-L228 HydrophobicContact CG1-CD2 4.35Å; V134-L228 HydrophobicContact CG2-CD2 4.28Å; T147-L228 HydrophobicContact CG2-CD2 3.45Å; T147-L228 VanDerWaalsContact CG2-CD2 3.45Å; P149-L228 HydrophobicContact CG-CD2 3.97Å; P149-L228 HydrophobicContact CG-CG 4.45Å; I172-L228 HydrophobicContact CG2-CD1 4.47Å; I174-L228 HydrophobicContact CD1-CD1 3.82Å; I174-L228 HydrophobicContact CG1-CD1 4.29Å; M177-L228 HydrophobicContact SD-CB 4.39Å; V224-L228 PolarHBondContact O-N 3.39Å; V224-L228 VanDerWaalsContact O-N 3.13Å; D225-L228 PolarHBondContact O-N 3.17Å; L228-L231 HydrophobicContact CD1-CD1 4.49Å; L228-L231 WeakPolarHBondContact O-CB 3.09Å; L228-L231 PolarHBondContact O-N 3.13Å; L228-I232 HydrophobicContact CD1-CD1 4.4Å; L228-I232 HydrophobicContact CD2-CD1 4.27Å; L228-I232 HydrophobicContact CG-CD1 3.78Å; L228-I232 HydrophobicContact CG-CG1 4.39Å; L228-I232 WeakPolarHBondContact O-CG1 3.35Å; L228-I232 PolarHBondContact O-N 3.39Å
229L95.2Very high95.2Very high46 Ų4670.5 Ų70.524%0.24136%0.359CS..Hα-helixtrans-61.3-40.4-178.1-75.1169.6000113.9P149 L152 D225 L231 I232 K233P149-L229 HydrophobicContact CB-CD2 3.8Å; P149-L229 HydrophobicContact CB-CG 4.4Å; P149-L229 HydrophobicContact CG-CD2 4.46Å; L152-L229 HydrophobicContact CD1-CD2 4.25Å; L152-L229 HydrophobicContact CG-CD2 4.27Å; D225-L229 HydrophobicContact CB-CD1 4.36Å; D225-L229 WeakPolarHBondContact O-CB 3.38Å; D225-L229 WeakPolarHBondContact O-CG 3.28Å; D225-L229 PolarHBondContact O-N 2.67Å; L229-L231 VanDerWaalsContact C-N 3.32Å; L229-L231 PolarHBondContact O-N 3.3Å; L229-I232 PolarHBondContact O-N 3.05Å; L229-K233 WeakPolarHBondContact O-CB 3.45Å; L229-K233 VanDerWaalsContact O-CG 3.29Å; L229-K233 WeakPolarHBondContact O-CG 3.01Å; L229-K233 PolarHBondContact O-N 2.99Å
230P95.2Very high95.3Very high63 Ų6366.8 Ų66.841%0.40935%0.354SS..Hα-helixtrans-61.1-39.2172.9-24.535.1000112.7A226 K233 K234A226-P230 WeakPolarHBondContact O-CD 3.48Å; A226-P230 WeakPolarHBondContact O-CG 3.48Å; P230-K233 WeakPolarHBondContact O-CB 3.11Å; P230-K233 PolarHBondContact O-N 2.81Å; P230-K234 WeakPolarHBondContact O-CG 3.38Å; P230-K234 PolarHBondContact O-N 2.97Å; P230-K234 VanDerWaalsContact O-N 3.16Å
231L95.2Very high95.4Very high46 Ų4668.8 Ų68.824%0.24136%0.36CS..Hα-helixtrans-65.6-41.7178.3-56.1174.7000111.1I172 D173 L228 L229 K233 K234I172-L231 HydrophobicContact CG2-CB 3.96Å; D173-L231 WeakPolarHBondContact O-CD1 3.32Å; L228-L231 HydrophobicContact CD1-CD1 4.49Å; L228-L231 WeakPolarHBondContact O-CB 3.09Å; L228-L231 PolarHBondContact O-N 3.13Å; L229-L231 VanDerWaalsContact C-N 3.32Å; L229-L231 PolarHBondContact O-N 3.3Å; L231-K233 VanDerWaalsContact C-N 3.29Å; L231-K233 PolarHBondContact O-N 2.71Å; L231-K234 PolarHBondContact O-N 2.79Å
232I95.1Very high95.4Very high1 Ų168.3 Ų68.31%0.00536%0.358CS..Hα-helixtrans-67.3-31.3175.6-67.4165.9000112P149 L152 I172 L228 L229 K234 L238 K239 L242P149-I232 HydrophobicContact CG-CD1 3.37Å; L152-I232 HydrophobicContact CD1-CD1 4.5Å; L152-I232 HydrophobicContact CD1-CG2 4.24Å; I172-I232 HydrophobicContact CD1-CD1 4.41Å; I172-I232 HydrophobicContact CD1-CG1 3.8Å; L228-I232 HydrophobicContact CD1-CD1 4.4Å; L228-I232 HydrophobicContact CD2-CD1 4.27Å; L228-I232 HydrophobicContact CG-CD1 3.78Å; L228-I232 HydrophobicContact CG-CG1 4.39Å; L228-I232 WeakPolarHBondContact O-CG1 3.35Å; L228-I232 PolarHBondContact O-N 3.39Å; L229-I232 PolarHBondContact O-N 3.05Å; I232-K234 VanDerWaalsContact C-N 3.33Å; I232-L238 HydrophobicContact CB-CD2 4.47Å; I232-L238 HydrophobicContact CG1-CD2 4.35Å; I232-L238 HydrophobicContact CG2-CB 4.38Å; I232-L238 HydrophobicContact CG2-CD2 4.23Å; I232-L238 HydrophobicContact CG2-CG 4.18Å; I232-K239 HydrophobicContact CG2-CG 3.89Å; I232-L242 HydrophobicContact CD1-CD1 3.58Å; I232-L242 HydrophobicContact CG1-CD1 4.02Å; I232-L242 HydrophobicContact CG2-CD1 3.95Å
233K94.6Very high95.5Very high134 Ų13470 Ų7058%0.58336%0.36SS*.Hα-helixtrans-68.5-31.1176.9-83.9170.5179-169.30112.8L229 P230 L231 E235L229-K233 WeakPolarHBondContact O-CB 3.45Å; L229-K233 VanDerWaalsContact O-CG 3.29Å; L229-K233 WeakPolarHBondContact O-CG 3.01Å; L229-K233 PolarHBondContact O-N 2.99Å; P230-K233 WeakPolarHBondContact O-CB 3.11Å; P230-K233 PolarHBondContact O-N 2.81Å; L231-K233 VanDerWaalsContact C-N 3.29Å; L231-K233 PolarHBondContact O-N 2.71Å; K233-E235 VanDerWaalsContact C-N 3.34Å
234K94.5Very high95.6Very high166 Ų16670.1 Ų70.172%0.72236%0.358SS*.Hα-helixtrans-66.6-37.1179.1-71.4175-179.7-171.90111.8P230 L231 I232P230-K234 WeakPolarHBondContact O-CG 3.38Å; P230-K234 PolarHBondContact O-N 2.97Å; P230-K234 VanDerWaalsContact O-N 3.16Å; L231-K234 PolarHBondContact O-N 2.79Å; I232-K234 VanDerWaalsContact C-N 3.33Å
235E92.9Very high95.7Very high116 Ų11674.4 Ų74.454%0.54238%0.384SS..SBendtrans-82.1124-179.9-159.467.9-161.700110.9K233 L238K233-E235 VanDerWaalsContact C-N 3.34Å; E235-L238 HydrophobicContact CB-CB 3.87Å; E235-L238 HydrophobicContact CB-CD2 3.73Å; E235-L238 HydrophobicContact CB-CG 4.44Å; E235-L238 HydrophobicContact CG-CB 4.17Å; E235-L238 HydrophobicContact CG-CD2 4.12Å
236P94.6Very high95.7Very high104 Ų10475.9 Ų75.968%0.67539%0.39SS*.THydrogen-bonded Turntrans-62.2141.4-178.625.3-32.8000111L238P236-L238 PolarHBondContact O-N 2.84Å
237Q94.5Very high95.8Very high179 Ų17976.3 Ų76.384%0.83639%0.393SS*.THydrogen-bonded Turntrans60.8-4.7176.7-55.4179.8-1100117K239 G240 Y241Q237-K239 VanDerWaalsContact C-N 3.27Å; Q237-K239 PolarHBondContact O-N 3.01Å; Q237-G240 PolarHBondContact O-N 2.88Å; Q237-Y241 PolarHBondContact O-N 3.14Å; Q237-Y241 VanDerWaalsContact O-N 3.12Å
238L96.3Very high95.8Very high14 Ų1477 Ų777%0.07340%0.399CS..Hα-helixtrans-63.9-30.3-175.7-172.862.5000113.2I172 I232 E235 P236 G240 Y241 L242I172-L238 HydrophobicContact CD1-CD2 3.85Å; I172-L238 HydrophobicContact CG1-CD2 3.71Å; I232-L238 HydrophobicContact CB-CD2 4.47Å; I232-L238 HydrophobicContact CG1-CD2 4.35Å; I232-L238 HydrophobicContact CG2-CB 4.38Å; I232-L238 HydrophobicContact CG2-CD2 4.23Å; I232-L238 HydrophobicContact CG2-CG 4.18Å; E235-L238 HydrophobicContact CB-CB 3.87Å; E235-L238 HydrophobicContact CB-CD2 3.73Å; E235-L238 HydrophobicContact CB-CG 4.44Å; E235-L238 HydrophobicContact CG-CB 4.17Å; E235-L238 HydrophobicContact CG-CD2 4.12Å; P236-L238 PolarHBondContact O-N 2.84Å; L238-G240 PolarHBondContact O-N 2.99Å; L238-Y241 HydrophobicContact CD1-CD1 3.91Å; L238-Y241 PolarHBondContact O-N 3.14Å; L238-L242 HydrophobicContact CD1-CG 4.44Å; L238-L242 HydrophobicContact CG-CD1 4.31Å; L238-L242 HydrophobicContact CG-CG 4.43Å; L238-L242 WeakPolarHBondContact O-CG 3.47Å; L238-L242 PolarHBondContact O-N 3.22Å
239K96.1Very high95.9Very high98 Ų9881.4 Ų81.443%0.42643%0.426SS..Hα-helixtrans-58.3-46.1172.3-69.5178.8-174.3163.30112.4I232 Q237 L242 R243I232-K239 HydrophobicContact CG2-CG 3.89Å; Q237-K239 VanDerWaalsContact C-N 3.27Å; Q237-K239 PolarHBondContact O-N 3.01Å; K239-L242 PolarHBondContact O-N 3.32Å; K239-R243 WeakPolarHBondContact O-CB 3.42Å; K239-R243 PolarHBondContact O-N 3.41Å; K239-R243 VanDerWaalsContact O-N 3.07Å
240G97.1Very high96Very high46 Ų4687.4 Ų87.447%0.47446%0.458SS..Hα-helixtrans-68.2-39.217900000111.2Q237 L238 L242 R243 S244Q237-G240 PolarHBondContact O-N 2.88Å; L238-G240 PolarHBondContact O-N 2.99Å; G240-L242 PolarHBondContact O-N 3.1Å; G240-R243 PolarHBondContact O-N 2.81Å; G240-S244 PolarHBondContact O-N 3.38Å; G240-S244 PolarHBondContact O-OG 3.43Å
241Y97.7Very high96Very high68 Ų6887.4 Ų87.427%0.26747%0.47SS..Hα-helixtrans-60.4-43.9174.2-175.7-109.9000112.8V120 R132 Q237 L238 S244V120-Y241 HydrophobicContact CG1-CE1 4.01Å; R132-Y241 VanDerWaalsContact CD-CE1 3.4Å; R132-Y241 WeakPolarHBondContact CD-O 3.44Å; R132-Y241 VanDerWaalsContact CZ-CE2 3.49Å; R132-Y241 VanDerWaalsContact NE-CE2 3.32Å; R132-Y241 PolarHBondContact NH1-O 3.02Å; Q237-Y241 PolarHBondContact O-N 3.14Å; Q237-Y241 VanDerWaalsContact O-N 3.12Å; L238-Y241 HydrophobicContact CD1-CD1 3.91Å; L238-Y241 PolarHBondContact O-N 3.14Å; Y241-S244 PolarHBondContact O-OG 3.46Å; Y241-S244 VanDerWaalsContact O-OG 3.05Å
242L97.4Very high96Very high0 Ų087.8 Ų87.80%047%0.474CS..Hα-helixtrans-73-27.5178.3-70.8176.8000113.7V120 R132 V134 L152 N153 I232 L238 K239 G240V120-L242 HydrophobicContact CG1-CD2 3.88Å; V120-L242 HydrophobicContact CG2-CD2 4.2Å; R132-L242 HydrophobicContact CB-CD2 4.11Å; V134-L242 HydrophobicContact CG2-CD1 4.3Å; V134-L242 HydrophobicContact CG2-CD2 4.34Å; L152-L242 HydrophobicContact CD1-CB 4.36Å; L152-L242 HydrophobicContact CD1-CD1 4.3Å; N153-L242 WeakPolarHBondContact CB-O 3.29Å; N153-L242 PolarHBondContact ND2-O 2.82Å; I232-L242 HydrophobicContact CD1-CD1 3.58Å; I232-L242 HydrophobicContact CG1-CD1 4.02Å; I232-L242 HydrophobicContact CG2-CD1 3.95Å; L238-L242 HydrophobicContact CD1-CG 4.44Å; L238-L242 HydrophobicContact CG-CD1 4.31Å; L238-L242 HydrophobicContact CG-CG 4.43Å; L238-L242 WeakPolarHBondContact O-CG 3.47Å; L238-L242 PolarHBondContact O-N 3.22Å; K239-L242 PolarHBondContact O-N 3.32Å; G240-L242 PolarHBondContact O-N 3.1Å
243R97.1Very high96.1Very high189 Ų18992.9 Ų92.971%0.71350%0.496SS*.Hα-helixtrans-76.8-33.9176.5-174171.8177.8-178.1-1.3112.2K239 G240K239-R243 WeakPolarHBondContact O-CB 3.42Å; K239-R243 PolarHBondContact O-N 3.41Å; K239-R243 VanDerWaalsContact O-N 3.07Å; G240-R243 PolarHBondContact O-N 2.81Å
244S96.8Very high96.1Very high51 Ų5189.5 Ų89.536%0.35749%0.488SS..SBendtrans-73.3150.8179.147.90000112.7R132 G240 Y241R132-S244 PolarHBondContact NH1-O 2.76Å; R132-S244 PolarHBondContact NH1-OG 3.16Å; G240-S244 PolarHBondContact O-N 3.38Å; G240-S244 PolarHBondContact O-OG 3.43Å; Y241-S244 PolarHBondContact O-OG 3.46Å; Y241-S244 VanDerWaalsContact O-OG 3.05Å
245T96.8Very high96.2Very high90 Ų9088.7 Ų88.755%0.55249%0.487SS*.BIsolated β-bridgetrans-97.4136.8178.247.20000110.3K131K131-T245 HydrophobicContact CG-CG2 4.3Å
246F97.4Very high96.4Very high44 Ų4490.5 Ų90.519%0.19349%0.493CS..PPolyproline II helixtrans-73130.1168177.1-105.1000110.6I122 G130 L248 L257 F259I122-F246 HydrophobicContact CD1-CB 4.16Å; I122-F246 HydrophobicContact CD1-CD1 4.38Å; I122-F246 HydrophobicContact CD1-CD2 4.08Å; I122-F246 HydrophobicContact CD1-CG 3.94Å; I122-F246 HydrophobicContact CG2-CB 3.68Å; I122-F246 HydrophobicContact CG2-CD1 3.88Å; I122-F246 HydrophobicContact CG2-CG 3.99Å; G130-F246 WeakPolarHBondContact CA-O 3.49Å; G130-F246 WeakPolarHBondContact O-CB 3.3Å; G130-F246 PolarHBondContact O-N 3.07Å; F246-L248 HydrophobicContact CE1-CD2 4.42Å; F246-L248 HydrophobicContact CE1-CG 4.45Å; F246-L248 HydrophobicContact CE2-CD2 4.36Å; F246-L248 HydrophobicContact CZ-CD2 3.67Å; F246-L248 HydrophobicContact CZ-CG 4.15Å; F246-L257 HydrophobicContact CE2-CD1 4.42Å; F246-L257 HydrophobicContact CZ-CD1 4.45Å; F246-F259 HydrophobicContact CE1-CE1 4.39Å; F246-F259 AromaticContact CE2-CE1 3.67Å; F246-F259 HydrophobicContact CE2-CE1 3.67Å; F246-F259 HydrophobicContact CE2-CZ 4.33Å; F246-F259 AromaticContact CZ-CE1 3.57Å; F246-F259 HydrophobicContact CZ-CE1 3.57Å; F246-F259 AromaticContact CZ-CZ 3.88Å; F246-F259 HydrophobicContact CZ-CZ 3.88Å
247A96.6Very high96.5Very high73 Ų7388.5 Ų88.560%0.60348%0.476SS*.  trans-143.8157.7168.400000108
248L96.4Very high96.5Very high88 Ų8886.3 Ų86.346%0.46148%0.475SS..PPolyproline II helixtrans-93.7132.5168.7-63.5170.2000107.8F246 V252 P254 L257F246-L248 HydrophobicContact CE1-CD2 4.42Å; F246-L248 HydrophobicContact CE1-CG 4.45Å; F246-L248 HydrophobicContact CE2-CD2 4.36Å; F246-L248 HydrophobicContact CZ-CD2 3.67Å; F246-L248 HydrophobicContact CZ-CG 4.15Å; L248-V252 HydrophobicContact CD2-CG1 4.31Å; L248-P254 HydrophobicContact CD1-CG 3.48Å; L248-P254 VanDerWaalsContact CD1-CG 3.48Å; L248-P254 HydrophobicContact CD2-CG 3.97Å; L248-P254 HydrophobicContact CG-CG 4.39Å; L248-L257 HydrophobicContact CD2-CD1 3.87Å
249T96.2Very high96.4Very high94 Ų9488.6 Ų88.658%0.57748%0.484SS*.PPolyproline II helixtrans-102.7165.3171.853.40000109.7G251 V252T249-G251 PolarHBondContact O-N 3.49Å; T249-V252 PolarHBondContact O-N 2.82Å; T249-V252 VanDerWaalsContact O-N 3.11Å; T249-V252 WeakPolarHBondContact OG1-CG2 3.42Å
250N96.6Very high96.5Very high171 Ų17188.2 Ų88.291%0.91449%0.487SS*.THydrogen-bonded Turntrans-56.1138.6175.4-66.2-13.1000110.3V252N250-V252 VanDerWaalsContact C-N 3.29Å; N250-V252 PolarHBondContact O-N 2.77Å
251G95.4Very high96.4Very high63 Ų6390.4 Ų90.465%0.64949%0.488SS*.THydrogen-bonded Turntrans82.9-9.9-176.600000115.5T249T249-G251 PolarHBondContact O-N 3.49Å
252V96.2Very high96.4Very high55 Ų5591.6 Ų91.633%0.33350%0.5SS..  trans-100.4110.1179.4-176.90000110.9L248 T249 N250 L257L248-V252 HydrophobicContact CD2-CG1 4.31Å; T249-V252 PolarHBondContact O-N 2.82Å; T249-V252 VanDerWaalsContact O-N 3.11Å; T249-V252 WeakPolarHBondContact OG1-CG2 3.42Å; N250-V252 VanDerWaalsContact C-N 3.29Å; N250-V252 PolarHBondContact O-N 2.77Å; V252-L257 HydrophobicContact CG1-CD1 3.72Å; V252-L257 HydrophobicContact CG1-CD2 3.64Å; V252-L257 HydrophobicContact CG1-CG 3.86Å
253F96.6Very high96.3Very high107 Ų10797 Ų9747%0.46953%0.529SS..  trans-103127.6-177.5-58.2-77.7000112.4H255 K256 L257F253-H255 WeakPolarHBondContact CB-CE1 3.3Å; F253-H255 AromaticContact CG-CE1 3.93Å; F253-H255 PolarHBondContact O-N 2.83Å; F253-H255 VanDerWaalsContact O-N 3.11Å; F253-K256 HydrophobicContact CB-CG 4.42Å; F253-K256 PolarHBondContact O-N 3.48Å; F253-L257 PolarHBondContact O-N 3.33Å
254P95Very high96.3Very high64 Ų6491.3 Ų91.342%0.41652%0.518SS..THydrogen-bonded Turntrans-58.1-29.2-176.1-28.635.5000115.8L248 K256 L257L248-P254 HydrophobicContact CD1-CG 3.48Å; L248-P254 VanDerWaalsContact CD1-CG 3.48Å; L248-P254 HydrophobicContact CD2-CG 3.97Å; L248-P254 HydrophobicContact CG-CG 4.39Å; P254-K256 VanDerWaalsContact C-N 3.26Å; P254-K256 PolarHBondContact O-N 2.84Å; P254-L257 PolarHBondContact O-N 3.18Å
255H96.7Very high96.2Very high149 Ų14993.9 Ų93.969%0.6953%0.529SS*.THydrogen-bonded Turntrans-73.3-19.2178.865-94.1000113F253F253-H255 WeakPolarHBondContact CB-CE1 3.3Å; F253-H255 AromaticContact CG-CE1 3.93Å; F253-H255 PolarHBondContact O-N 2.83Å; F253-H255 VanDerWaalsContact O-N 3.11Å
256K96.8Very high96.2Very high154 Ų15494.2 Ų94.267%0.6753%0.527SS*.THydrogen-bonded Turntrans-94.2-16.3173.7-57.2-170.8178.3-179.70112.4F253 P254F253-K256 HydrophobicContact CB-CG 4.42Å; F253-K256 PolarHBondContact O-N 3.48Å; P254-K256 VanDerWaalsContact C-N 3.26Å; P254-K256 PolarHBondContact O-N 2.84Å
257L96.3Very high96.1Very high61 Ų6198.1 Ų98.132%0.31955%0.553SS.*  trans-75.4134.8179.6-72.1-177.1000111.1F246 L248 V252 F253 P254 F259F246-L257 HydrophobicContact CE2-CD1 4.42Å; F246-L257 HydrophobicContact CZ-CD1 4.45Å; L248-L257 HydrophobicContact CD2-CD1 3.87Å; V252-L257 HydrophobicContact CG1-CD1 3.72Å; V252-L257 HydrophobicContact CG1-CD2 3.64Å; V252-L257 HydrophobicContact CG1-CG 3.86Å; F253-L257 PolarHBondContact O-N 3.33Å; P254-L257 PolarHBondContact O-N 3.18Å; L257-F259 HydrophobicContact CB-CD2 4.24Å; L257-F259 HydrophobicContact CB-CE2 3.7Å; L257-F259 HydrophobicContact CB-CZ 3.87Å; L257-F259 HydrophobicContact CD1-CE1 4.07Å; L257-F259 HydrophobicContact CD1-CE2 4.28Å; L257-F259 HydrophobicContact CD1-CZ 3.6Å; L257-F259 HydrophobicContact CG-CZ 4.42Å
258V96Very high96Very high134 Ų134100.2 Ų100.281%0.81255%0.549SS*.  trans-97.5117.3165.1-176.40000107.3
259F94.2Very high96Very high62 Ų62101.3 Ų101.327%0.27256%0.557SS.*  trans-940-180-69-80.6000110.8I122 I166 T168 T169 F246 L257I122-F259 HydrophobicContact CD1-CD1 4.12Å; I122-F259 HydrophobicContact CD1-CE1 4.35Å; I166-F259 HydrophobicContact CD1-CD1 4.47Å; I166-F259 HydrophobicContact CD1-CE1 4.06Å; I166-F259 HydrophobicContact CD1-CZ 4.1Å; I166-F259 HydrophobicContact CG2-CB 3.67Å; I166-F259 HydrophobicContact CG2-CD1 3.74Å; I166-F259 HydrophobicContact CG2-CD2 4.08Å; I166-F259 HydrophobicContact CG2-CE1 4.36Å; I166-F259 HydrophobicContact CG2-CG 3.56Å; T168-F259 WeakPolarHBondContact CA-OXT 3.22Å; T168-F259 WeakPolarHBondContact CB-OXT 3.34Å; T169-F259 WeakPolarHBondContact CG2-O 3.3Å; T169-F259 PolarHBondContact N-O 3.28Å; T169-F259 PolarHBondContact N-OXT 3.01Å; T169-F259 PolarHBondContact OG1-OXT 3.15Å; F246-F259 HydrophobicContact CE1-CE1 4.39Å; F246-F259 AromaticContact CE2-CE1 3.67Å; F246-F259 HydrophobicContact CE2-CE1 3.67Å; F246-F259 HydrophobicContact CE2-CZ 4.33Å; F246-F259 AromaticContact CZ-CE1 3.57Å; F246-F259 HydrophobicContact CZ-CE1 3.57Å; F246-F259 AromaticContact CZ-CZ 3.88Å; F246-F259 HydrophobicContact CZ-CZ 3.88Å; L257-F259 HydrophobicContact CB-CD2 4.24Å; L257-F259 HydrophobicContact CB-CE2 3.7Å; L257-F259 HydrophobicContact CB-CZ 3.87Å; L257-F259 HydrophobicContact CD1-CE1 4.07Å; L257-F259 HydrophobicContact CD1-CE2 4.28Å; L257-F259 HydrophobicContact CD1-CZ 3.6Å; L257-F259 HydrophobicContact CG-CZ 4.42Å

Retrieved 259 of 259 residues in 432.1 ms (Link to these results)