A0A087Y234_POEFO Loading...

small monomeric GTPase

AlphaFold DB (A0A3P9NZL9), UniProt , Accession A0A087Y234, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 220 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M41.2Very low42.9Very low244 Ų244143.3 Ų143.3100%1.20286%0.856SS**  0130.40-91.3-175.6165.700108.3
2A42.2Very low43Very low107 Ų107137 Ų13788%0.88484%0.843SS**  trans49.7123.5159.700000118.3
3G44.7Very low43.4Very low66 Ų66136.1 Ų136.168%0.6884%0.837SS**  cis102.1137.428.600000110.6
4R44.1Very low43.6Very low264 Ų264132.9 Ų132.9100%0.99683%0.831SS**  trans92.3126.6172-54.4172.9172.6-166.3-3.9113.9
5G36.6Very low44.3Very low75 Ų75130.1 Ų130.177%0.77383%0.826SS**  cis145115.71700000105.4
6G44.4Very low45.3Very low72 Ų72128.6 Ų128.674%0.74282%0.821SS**  trans-74177.7-166.500000115.2A8G6-A8 PolarHBondContact O-N 3.49Å
7P41.8Very low46.6Very low127 Ų127126.4 Ų126.483%0.82580%0.801SS**  trans-85.3106.9157.430.9-22.2000108R9P7-R9 PolarHBondContact O-N 3.2Å
8A47.2Very low48.6Very low91 Ų91123.2 Ų123.275%0.75277%0.773SS**  trans-57.4119160.100000107.5G6 T10G6-A8 PolarHBondContact O-N 3.49Å; A8-T10 PolarHBondContact O-N 2.9Å
9R44.3Very low50.7Low244 Ų244123.4 Ų123.492%0.92177%0.767SS**  trans-62104.4164.7-71.9-178.6171.5-177.8-3106.2P7 N11P7-R9 PolarHBondContact O-N 3.2Å; R9-N11 VanDerWaalsContact C-N 3.32Å; R9-N11 PolarHBondContact O-N 2.96Å
10T45.7Very low52.8Low135 Ų135117.5 Ų117.583%0.82873%0.73SS**  trans-60101.7168.347.10000106.7A8 G12A8-T10 PolarHBondContact O-N 2.9Å; T10-G12 PolarHBondContact O-N 2.86Å
11N40.1Very low54.7Low151 Ų151115.6 Ų115.681%0.80771%0.713SS**  trans-68.286.1169.4-146.323.3000105.5R9 T13R9-N11 VanDerWaalsContact C-N 3.32Å; R9-N11 PolarHBondContact O-N 2.96Å; N11-T13 PolarHBondContact O-N 2.85Å
12G43.2Very low57.3Low68 Ų68104.6 Ų104.670%0.70166%0.658SS**  trans-62.294.916600000106.1T10 A14T10-G12 PolarHBondContact O-N 2.86Å; G12-A14 PolarHBondContact O-N 2.96Å
13T48.5Very low59.9Low125 Ų125101.1 Ų101.177%0.76762%0.623SS**  trans-56.997.3162.936.10000105.6N11 A15N11-T13 PolarHBondContact O-N 2.85Å; T13-A15 PolarHBondContact O-N 2.81Å
14A46.3Very low62.4Low91 Ų9198 Ų9875%0.75259%0.591SS**  trans-49.3113.6162.200000105.1G12 S16G12-A14 PolarHBondContact O-N 2.96Å; A14-S16 VanDerWaalsContact C-N 3.3Å; A14-S16 PolarHBondContact O-N 2.91Å
15A54.5Low65Low92 Ų9285.4 Ų85.476%0.7654%0.543SS*.  trans-55.9102.6177.100000106.2T13 N17T13-A15 PolarHBondContact O-N 2.81Å; A15-N17 PolarHBondContact O-N 2.77Å
16S60.1Low67.9Low106 Ų10681.9 Ų81.974%0.74151%0.507SS*.  trans-64.9104.517654.90000105.1A14 K18A14-S16 VanDerWaalsContact C-N 3.3Å; A14-S16 PolarHBondContact O-N 2.91Å; S16-K18 PolarHBondContact O-N 3.33Å
17N67.1Low70.4Confident90 Ų9078.4 Ų78.448%0.48147%0.471SS..  trans-60.5103.8-178.4-161.4-4.8000107.5A15 I19 T69A15-N17 PolarHBondContact O-N 2.77Å; N17-I19 PolarHBondContact O-N 3.04Å; N17-T69 PolarHBondContact ND2-OG1 3.29Å; N17-T69 PolarHBondContact OD1-OG1 2.86Å
18K83.4Confident73.1Confident69 Ų6972.4 Ų72.430%0.343%0.433SS..EExtended strand (participates in β ladder)trans-68.9124-171.6-173.3177.3-175.3175.80107.8S16 T68 T69 K184S16-K18 PolarHBondContact O-N 3.33Å; K18-T68 HydrophobicContact CB-CG2 4.38Å; K18-T68 CarbonylContact O-C 3.46Å; K18-T68 WeakPolarHBondContact O-CA 3.24Å; K18-T68 VanDerWaalsContact O-CG2 3.24Å; K18-T68 WeakPolarHBondContact O-CG2 3.5Å; K18-T69 PolarHBondContact O-N 2.86Å; K18-K184 VanDerWaalsContact CE-O 3.3Å; K18-K184 WeakPolarHBondContact CE-O 3.35Å; K18-K184 PolarHBondContact NZ-O 3.12Å
19I88.4Confident75.4Confident127 Ų12771.4 Ų71.465%0.65141%0.412SS*.EExtended strand (participates in β ladder)trans-96.9119.8175.1-52.9179.4000108.1N17 T69N17-I19 PolarHBondContact O-N 3.04Å; I19-T69 CarbonylContact C-O 3.54Å; I19-T69 VanDerWaalsContact CA-O 3.31Å; I19-T69 WeakPolarHBondContact CA-O 3.48Å
20C91.4Very high77.7Confident6 Ų661.2 Ų61.24%0.04138%0.378CS..EExtended strand (participates in β ladder)trans-113138174.3-65.60000109.5F22 T68 T69 V70 K71C20-F22 HydrophobicContact CB-CD2 4.29Å; C20-F22 HydrophobicContact CB-CE2 3.49Å; C20-F22 VanDerWaalsContact CB-CE2 3.49Å; C20-F22 HydrophobicContact CB-CZ 3.89Å; C20-T68 HydrophobicContact CB-CG2 4.47Å; C20-T69 PolarHBondContact N-O 3.5Å; C20-V70 CarbonylContact O-C 3.59Å; C20-V70 WeakPolarHBondContact O-CA 3.5Å; C20-K71 PolarHBondContact O-N 3.38Å
21Q94.3Very high80Confident77 Ų7758.6 Ų58.636%0.3637%0.371SS..EExtended strand (participates in β ladder)trans-112.8131.8178.7-172.1167.75.900109.6K71 E73Q21-K71 VanDerWaalsContact CA-O 3.32Å; Q21-K71 WeakPolarHBondContact CA-O 3.25Å; Q21-K71 HydrophobicContact CG-CB 4.49Å; Q21-K71 HydrophobicContact CG-CD 4.44Å; Q21-E73 HydrophobicContact CG-CG 4.02Å; Q21-E73 PolarHBondContact NE2-OE1 3.3Å
22F95.8Very high82.7Confident14 Ų1451.5 Ų51.56%0.06133%0.332CS..EExtended strand (participates in β ladder)trans-135134-178.8-62.7-74.7000111.1C20 V70 K71 F72 E73 Q95 L182 P183C20-F22 HydrophobicContact CB-CD2 4.29Å; C20-F22 HydrophobicContact CB-CE2 3.49Å; C20-F22 VanDerWaalsContact CB-CE2 3.49Å; C20-F22 HydrophobicContact CB-CZ 3.89Å; F22-V70 HydrophobicContact CD2-CG1 3.82Å; F22-V70 HydrophobicContact CE2-CG1 4.35Å; F22-V70 HydrophobicContact CE2-CG2 4.33Å; F22-K71 PolarHBondContact N-O 2.85Å; F22-F72 HydrophobicContact CB-CD1 4.43Å; F22-F72 WeakPolarHBondContact O-CA 3.47Å; F22-E73 PolarHBondContact O-N 3.07Å; F22-Q95 HydrophobicContact CD1-CB 3.97Å; F22-Q95 HydrophobicContact CD1-CG 3.97Å; F22-L182 HydrophobicContact CB-CD1 3.9Å; F22-L182 HydrophobicContact CD1-CD1 4.21Å; F22-L182 HydrophobicContact CD1-CD2 4.21Å; F22-L182 HydrophobicContact CD2-CB 4.33Å; F22-L182 HydrophobicContact CD2-CD1 3.69Å; F22-L182 HydrophobicContact CE1-CB 4.23Å; F22-L182 HydrophobicContact CE1-CD2 4.48Å; F22-L182 HydrophobicContact CE2-CB 4.01Å; F22-L182 HydrophobicContact CE2-CD1 4.22Å; F22-L182 HydrophobicContact CG-CD1 3.68Å; F22-L182 HydrophobicContact CG-CD2 4.48Å; F22-L182 HydrophobicContact CG-CG 4.48Å; F22-L182 HydrophobicContact CZ-CB 3.96Å; F22-P183 WeakPolarHBondContact CZ-O 3.24Å
23K96.6Very high85.2Confident34 Ų3448.8 Ų48.815%0.14831%0.305CS..EExtended strand (participates in β ladder)trans-79124.4171-178.5178.7174.4-175.70109.3E73 Y90 R92 A94 Q95 A96K23-E73 WeakPolarHBondContact CA-O 3.34Å; K23-Y90 WeakPolarHBondContact CE-O 3.24Å; K23-Y90 PolarHBondContact NZ-O 2.82Å; K23-R92 PolarHBondContact NZ-O 2.82Å; K23-A94 HydrophobicContact CD-CB 4.38Å; K23-A94 HydrophobicContact CG-CB 4.18Å; K23-Q95 PolarHBondContact O-N 2.87Å; K23-Q95 PolarHBondContact O-OE1 2.92Å; K23-A96 PolarHBondContact O-N 3.28Å
24L97.5Very high87.6Confident0 Ų043.3 Ų43.30%027%0.27CS..EExtended strand (participates in β ladder)trans-122.2133177.6-176.5153.6000109L26 F72 E73 I74 W75 A96 I98 F175 I178L24-L26 HydrophobicContact CD2-CD1 3.61Å; L24-L26 HydrophobicContact CD2-CG 4.39Å; L24-F72 HydrophobicContact CB-CD1 4.04Å; L24-F72 HydrophobicContact CD1-CD1 3.9Å; L24-F72 HydrophobicContact CD1-CE1 3.86Å; L24-F72 HydrophobicContact CD1-CZ 4.44Å; L24-E73 PolarHBondContact N-O 2.79Å; L24-E73 VanDerWaalsContact O-O 3.11Å; L24-I74 HydrophobicContact CD2-CG2 4.15Å; L24-I74 CarbonylContact O-C 3.55Å; L24-I74 WeakPolarHBondContact O-CA 3.3Å; L24-W75 PolarHBondContact O-N 2.69Å; L24-A96 WeakPolarHBondContact CA-O 3.41Å; L24-A96 HydrophobicContact CB-CB 4.36Å; L24-A96 HydrophobicContact CD1-CB 4.13Å; L24-A96 HydrophobicContact CG-CB 4.14Å; L24-I98 HydrophobicContact CD1-CD1 4.15Å; L24-I98 HydrophobicContact CD1-CG1 4.29Å; L24-I98 HydrophobicContact CD2-CD1 4.06Å; L24-I98 HydrophobicContact CD2-CG1 4.12Å; L24-I98 HydrophobicContact CG-CG1 4.48Å; L24-F175 HydrophobicContact CD1-CD1 3.94Å; L24-F175 HydrophobicContact CD1-CE1 4.04Å; L24-F175 HydrophobicContact CD2-CE1 4.1Å; L24-I178 HydrophobicContact CD1-CD1 4.07Å; L24-I178 HydrophobicContact CD1-CG2 4.25Å
25V97.7Very high90Very high0 Ų039.9 Ų39.90%024%0.241CC..EExtended strand (participates in β ladder)trans-116141177.164.40000110.8L27 W75 T77 A94 A96 A97 I98V25-L27 HydrophobicContact CG2-CD2 4.21Å; V25-L27 HydrophobicContact CG2-CG 4.23Å; V25-W75 HydrophobicContact CB-CB 4.35Å; V25-W75 HydrophobicContact CG2-CB 4.15Å; V25-T77 HydrophobicContact CG2-CG2 3.76Å; V25-A94 HydrophobicContact CG1-CB 4.09Å; V25-A96 PolarHBondContact N-O 2.85Å; V25-A96 VanDerWaalsContact N-O 3.11Å; V25-A97 HydrophobicContact CG1-CB 3.74Å; V25-A97 CarbonylContact O-C 3.47Å; V25-A97 VanDerWaalsContact O-CA 3.28Å; V25-A97 WeakPolarHBondContact O-CA 3.39Å; V25-I98 PolarHBondContact O-N 2.91Å
26L97.8Very high92Very high0 Ų036.2 Ų36.20%021%0.21CC..EExtended strand (participates in β ladder)trans-101.5130.4169.5-72.986.7000109.8L24 K34 L37 V38 I74 W75 T77 I98 V100L24-L26 HydrophobicContact CD2-CD1 3.61Å; L24-L26 HydrophobicContact CD2-CG 4.39Å; L26-K34 HydrophobicContact CB-CB 4.28Å; L26-K34 HydrophobicContact CB-CD 4.21Å; L26-K34 HydrophobicContact CB-CG 4.44Å; L26-K34 HydrophobicContact CD2-CB 4.02Å; L26-L37 HydrophobicContact CD2-CD2 4.32Å; L26-V38 HydrophobicContact CD1-CG2 3.39Å; L26-V38 HydrophobicContact CD2-CG2 3.32Å; L26-V38 HydrophobicContact CG-CG2 3.97Å; L26-I74 HydrophobicContact CD1-CG2 3.32Å; L26-W75 PolarHBondContact N-O 2.76Å; L26-T77 WeakPolarHBondContact O-CG2 3.31Å; L26-T77 PolarHBondContact O-OG1 3.14Å; L26-I98 CarbonylContact C-O 3.6Å; L26-I98 WeakPolarHBondContact CA-O 3.34Å; L26-I98 HydrophobicContact CG-CB 4.29Å; L26-V100 HydrophobicContact CD2-CG2 4.32Å
27L97.4Very high93.8Very high0 Ų031.1 Ų31.10%017%0.174CC..EExtended strand (participates in β ladder)trans-128.9158.5177.2-63.5171.8000109.9V25 T77 A87 Y91 I98 V99 V100 W115 L119V25-L27 HydrophobicContact CG2-CD2 4.21Å; V25-L27 HydrophobicContact CG2-CG 4.23Å; L27-T77 HydrophobicContact CD2-CG2 4.24Å; L27-A87 HydrophobicContact CD2-CB 4.37Å; L27-Y91 HydrophobicContact CD1-CD1 4.21Å; L27-I98 PolarHBondContact N-O 2.84Å; L27-V99 CarbonylContact O-C 3.58Å; L27-V99 WeakPolarHBondContact O-CA 3.39Å; L27-V100 PolarHBondContact O-N 3.43Å; L27-W115 HydrophobicContact CB-CD2 4.15Å; L27-W115 HydrophobicContact CB-CE3 4.39Å; L27-W115 HydrophobicContact CB-CG 4.27Å; L27-W115 HydrophobicContact CD1-CD2 4.49Å; L27-W115 HydrophobicContact CD1-CE3 3.94Å; L27-W115 HydrophobicContact CD1-CZ3 4.35Å; L27-W115 HydrophobicContact CD2-CE3 4.38Å; L27-W115 HydrophobicContact CD2-CH2 4.34Å; L27-W115 HydrophobicContact CD2-CZ3 4.19Å; L27-W115 HydrophobicContact CG-CE3 4.48Å; L27-L119 HydrophobicContact CD1-CD1 4.02Å; L27-L119 HydrophobicContact CD1-CD2 3.72Å; L27-L119 HydrophobicContact CD1-CG 3.97Å
28G96.8Very high95.2Very high1 Ų126.9 Ų26.91%0.0115%0.152CC..  trans143.4166.9-175.500000112K34 G79 V100G28-K34 PolarHBondContact O-NZ 3.25Å; G28-G79 VanDerWaalsContact O-CA 3.25Å; G28-G79 WeakPolarHBondContact O-CA 3.26Å; G28-V100 WeakPolarHBondContact CA-O 3.41Å
29E95.7Very high95.8Very high70 Ų7024.5 Ų24.533%0.32714%0.142SC..  trans-63.4168.2-177.8-160.2-85.4125.500112.2V32 K34 T108 R111E29-V32 HydrophobicContact CB-CG1 3.83Å; E29-V32 VanDerWaalsContact O-CG2 3.25Å; E29-V32 WeakPolarHBondContact O-CG2 3.39Å; E29-K34 PolarHBondContact O-NZ 3Å; E29-T108 HydrophobicContact CB-CG2 4.34Å; E29-R111 HydrophobicContact CB-CB 4.5Å
30S93.7Very high96.2Very high29 Ų2921 Ų2120%0.20312%0.12CC..THydrogen-bonded Turntrans-60.3153.5174.3-163.10000110.7V32 G79S30-V32 PolarHBondContact O-N 3.25Å; S30-G79 PolarHBondContact N-O 2.79Å; S30-G79 VanDerWaalsContact N-O 3.15Å
31A94Very high96.5Very high81 Ų8121.1 Ų21.167%0.66912%0.12SC*.THydrogen-bonded Turntrans56.35.617400000118.3G33 K135A31-G33 PolarHBondContact O-N 3.42Å; A31-K135 WeakPolarHBondContact O-CE 3.37Å; A31-K135 PolarHBondContact O-NZ 2.86Å
32V96.9Very high96.5Very high1 Ų119.1 Ų19.11%0.00611%0.113CC..SBendtrans-69.1-15.3172.7-57.10000112.8E29 S30 K34 V100 D102 T108 N134E29-V32 HydrophobicContact CB-CG1 3.83Å; E29-V32 VanDerWaalsContact O-CG2 3.25Å; E29-V32 WeakPolarHBondContact O-CG2 3.39Å; S30-V32 PolarHBondContact O-N 3.25Å; V32-K34 HydrophobicContact CG2-CD 4.44Å; V32-K34 HydrophobicContact CG2-CG 3.76Å; V32-V100 HydrophobicContact CB-CG1 4.31Å; V32-V100 HydrophobicContact CG2-CB 3.93Å; V32-V100 HydrophobicContact CG2-CG1 3.87Å; V32-D102 HydrophobicContact CG1-CB 4.44Å; V32-T108 HydrophobicContact CG1-CG2 3.79Å; V32-N134 PolarHBondContact O-ND2 2.88Å
33G96.2Very high96.4Very high12 Ų1224.5 Ų24.512%0.12414%0.137CC..SBendtrans99.125.5173.300000116A31 S36 L37A31-G33 PolarHBondContact O-N 3.42Å; G33-S36 PolarHBondContact O-N 2.94Å; G33-L37 WeakPolarHBondContact O-CB 3.39Å; G33-L37 PolarHBondContact O-N 3.09Å
34K97Very high96.3Very high9 Ų925.2 Ų25.24%0.03915%0.153CC..Hα-helixtrans-51.6-56.2174-60.5-174.4-61.5-75.30112.1L26 G28 E29 V32 S36 L37 V38 D76 T77 G79 V100L26-K34 HydrophobicContact CB-CB 4.28Å; L26-K34 HydrophobicContact CB-CD 4.21Å; L26-K34 HydrophobicContact CB-CG 4.44Å; L26-K34 HydrophobicContact CD2-CB 4.02Å; G28-K34 PolarHBondContact O-NZ 3.25Å; E29-K34 PolarHBondContact O-NZ 3Å; V32-K34 HydrophobicContact CG2-CD 4.44Å; V32-K34 HydrophobicContact CG2-CG 3.76Å; K34-S36 VanDerWaalsContact C-N 3.32Å; K34-S36 PolarHBondContact O-N 2.8Å; K34-L37 WeakPolarHBondContact O-CB 3.36Å; K34-L37 PolarHBondContact O-N 3.14Å; K34-L37 VanDerWaalsContact O-N 3.09Å; K34-V38 WeakPolarHBondContact O-CG2 3.32Å; K34-V38 PolarHBondContact O-N 3.06Å; K34-D76 WeakPolarHBondContact CB-OD1 3.34Å; K34-T77 WeakPolarHBondContact CE-O 3.5Å; K34-G79 VanDerWaalsContact NZ-CA 3.26Å; K34-V100 HydrophobicContact CG-CB 3.94Å; K34-V100 HydrophobicContact CG-CG2 3.93Å
35S96.9Very high96.1Very high20 Ų2029.5 Ų29.514%0.1417%0.174CC..Hα-helixtrans-61.3-39.8-179.5-46.80000112.5V38 L39 T53 D76S35-V38 PolarHBondContact O-N 2.84Å; S35-L39 WeakPolarHBondContact O-CB 3.41Å; S35-L39 PolarHBondContact O-N 3.13Å; S35-T53 PolarHBondContact OG-OG1 3.4Å; S35-D76 WeakPolarHBondContact CA-OD2 3.39Å; S35-D76 WeakPolarHBondContact CB-OD2 3.29Å; S35-D76 PolarHBondContact N-OD1 2.79Å; S35-D76 PolarHBondContact OG-OD1 3.46Å; S35-D76 PolarHBondContact OG-OD2 2.75Å
36S97.3Very high96Very high14 Ų1432.6 Ų32.610%0.09819%0.187CC..Hα-helixtrans-65.9-37.6175.8-51.10000112.2G33 K34 R40G33-S36 PolarHBondContact O-N 2.94Å; K34-S36 VanDerWaalsContact C-N 3.32Å; K34-S36 PolarHBondContact O-N 2.8Å; S36-R40 VanDerWaalsContact O-CB 3.26Å; S36-R40 WeakPolarHBondContact O-CB 3.38Å; S36-R40 PolarHBondContact O-N 3.36Å
37L97.1Very high95.7Very high0 Ų036.9 Ų36.90%021%0.207CC..Hα-helixtrans-64-47.6175.9-162.988000110.7L26 G33 K34 R40 F41 T163 V171 F175L26-L37 HydrophobicContact CD2-CD2 4.32Å; G33-L37 WeakPolarHBondContact O-CB 3.39Å; G33-L37 PolarHBondContact O-N 3.09Å; K34-L37 WeakPolarHBondContact O-CB 3.36Å; K34-L37 PolarHBondContact O-N 3.14Å; K34-L37 VanDerWaalsContact O-N 3.09Å; L37-R40 PolarHBondContact O-N 2.65Å; L37-F41 WeakPolarHBondContact O-CB 3.27Å; L37-F41 PolarHBondContact O-N 2.86Å; L37-T163 HydrophobicContact CD1-CG2 4.38Å; L37-V171 HydrophobicContact CD1-CG2 4.02Å; L37-F175 HydrophobicContact CD2-CE2 4.34Å; L37-F175 HydrophobicContact CD2-CZ 4.41Å
38V96.7Very high95.2Very high1 Ų143.1 Ų43.11%0.00624%0.236CC..Hα-helixtrans-65.6-44.8178.3-1780000111L26 K34 S35 R40 F41 V42 L59 I74 D76L26-V38 HydrophobicContact CD1-CG2 3.39Å; L26-V38 HydrophobicContact CD2-CG2 3.32Å; L26-V38 HydrophobicContact CG-CG2 3.97Å; K34-V38 WeakPolarHBondContact O-CG2 3.32Å; K34-V38 PolarHBondContact O-N 3.06Å; S35-V38 PolarHBondContact O-N 2.84Å; V38-R40 VanDerWaalsContact C-N 3.28Å; V38-R40 PolarHBondContact O-N 2.87Å; V38-F41 PolarHBondContact O-N 3.28Å; V38-V42 HydrophobicContact CG1-CG2 3.81Å; V38-V42 WeakPolarHBondContact O-CB 3.37Å; V38-V42 WeakPolarHBondContact O-CG2 3.12Å; V38-V42 PolarHBondContact O-N 3.2Å; V38-L59 HydrophobicContact CG1-CB 4.21Å; V38-L59 HydrophobicContact CG1-CD1 3.89Å; V38-L59 HydrophobicContact CG1-CD2 4.07Å; V38-L59 HydrophobicContact CG1-CG 4.27Å; V38-I74 HydrophobicContact CG1-CB 4.46Å; V38-I74 HydrophobicContact CG1-CD1 4.26Å; V38-I74 HydrophobicContact CG1-CG2 3.78Å; V38-I74 HydrophobicContact CG2-CG2 3.86Å; V38-D76 HydrophobicContact CG2-CB 4.31Å
39L96.2Very high94.7Very high18 Ų1852.9 Ų52.99%0.09427%0.274CS..Hα-helixtrans-59.4-42.5177-17970.1000111.3S35 F41 V42 K43 G44 Q45 H47S35-L39 WeakPolarHBondContact O-CB 3.41Å; S35-L39 PolarHBondContact O-N 3.13Å; L39-F41 VanDerWaalsContact C-N 3.34Å; L39-F41 PolarHBondContact O-N 3.44Å; L39-V42 PolarHBondContact O-N 3.37Å; L39-K43 HydrophobicContact CD1-CB 4.15Å; L39-K43 HydrophobicContact CD1-CD 3.67Å; L39-K43 HydrophobicContact CD1-CG 4.02Å; L39-K43 WeakPolarHBondContact O-CA 3.47Å; L39-K43 PolarHBondContact O-N 2.81Å; L39-G44 PolarHBondContact O-N 2.91Å; L39-Q45 CarbonylContact C-O 3.52Å; L39-Q45 HydrophobicContact CD2-CB 4.32Å; L39-Q45 HydrophobicContact CG-CB 4.19Å; L39-H47 WeakPolarHBondContact CD2-ND1 3.23Å
40R97.2Very high94.2Very high53 Ų5353.6 Ų53.620%0.228%0.277CS..Hα-helixtrans-63-42.5177179.659.874.417717.2111.4S36 L37 V38 G44 Q45 A165 K166 A168 V171S36-R40 VanDerWaalsContact O-CB 3.26Å; S36-R40 WeakPolarHBondContact O-CB 3.38Å; S36-R40 PolarHBondContact O-N 3.36Å; L37-R40 PolarHBondContact O-N 2.65Å; V38-R40 VanDerWaalsContact C-N 3.28Å; V38-R40 PolarHBondContact O-N 2.87Å; R40-G44 PolarHBondContact NH1-O 3.45Å; R40-G44 WeakPolarHBondContact O-CA 3.12Å; R40-G44 PolarHBondContact O-N 3.31Å; R40-Q45 WeakPolarHBondContact CA-O 3.01Å; R40-Q45 PolarHBondContact N-O 3.49Å; R40-A165 PolarHBondContact NE-O 3.26Å; R40-A165 PolarHBondContact NH2-O 3.41Å; R40-K166 PolarHBondContact NH2-O 3.15Å; R40-A168 HydrophobicContact CG-CB 4.11Å; R40-V171 HydrophobicContact CB-CG1 4.2Å; R40-V171 HydrophobicContact CG-CB 4.3Å; R40-V171 HydrophobicContact CG-CG1 3.95Å; R40-V171 HydrophobicContact CG-CG2 4.1Å
41F96.9Very high93.9Very high10 Ų1060.2 Ų60.24%0.04431%0.305CS..Hα-helixtrans-69.2-41.8178.6177.6-121.8000113.6L37 V38 L39 Q61 V63 F72 I74 V171 N172 F175L37-F41 WeakPolarHBondContact O-CB 3.27Å; L37-F41 PolarHBondContact O-N 2.86Å; V38-F41 PolarHBondContact O-N 3.28Å; L39-F41 VanDerWaalsContact C-N 3.34Å; L39-F41 PolarHBondContact O-N 3.44Å; F41-Q61 HydrophobicContact CD1-CB 4.03Å; F41-Q61 HydrophobicContact CD1-CG 3.88Å; F41-Q61 HydrophobicContact CE1-CB 3.56Å; F41-Q61 HydrophobicContact CE1-CG 3.38Å; F41-Q61 HydrophobicContact CE2-CG 4.16Å; F41-Q61 HydrophobicContact CG-CG 4.48Å; F41-Q61 HydrophobicContact CZ-CB 4.18Å; F41-Q61 HydrophobicContact CZ-CG 3.54Å; F41-Q61 PolarHBondContact O-NE2 2.87Å; F41-V63 HydrophobicContact CE2-CG2 4.05Å; F41-V63 HydrophobicContact CZ-CG2 3.53Å; F41-F72 HydrophobicContact CE1-CD2 4.28Å; F41-F72 HydrophobicContact CZ-CD2 4.3Å; F41-I74 HydrophobicContact CD1-CD1 3.82Å; F41-I74 HydrophobicContact CE1-CD1 3.88Å; F41-V171 HydrophobicContact CB-CG1 3.89Å; F41-N172 WeakPolarHBondContact CD2-OD1 3.5Å; F41-F175 HydrophobicContact CB-CD2 3.9Å; F41-F175 HydrophobicContact CB-CE2 3.55Å; F41-F175 HydrophobicContact CB-CZ 4.2Å; F41-F175 AromaticContact CD1-CD1 3.89Å; F41-F175 HydrophobicContact CD1-CD1 3.89Å; F41-F175 AromaticContact CD1-CD2 3.61Å; F41-F175 HydrophobicContact CD1-CD2 3.61Å; F41-F175 AromaticContact CD1-CE1 3.88Å; F41-F175 HydrophobicContact CD1-CE1 3.88Å; F41-F175 AromaticContact CD1-CE2 3.66Å; F41-F175 HydrophobicContact CD1-CE2 3.66Å; F41-F175 AromaticContact CD1-CG 3.78Å; F41-F175 HydrophobicContact CD1-CG 3.78Å; F41-F175 AromaticContact CD1-CZ 3.8Å; F41-F175 HydrophobicContact CD1-CZ 3.8Å; F41-F175 HydrophobicContact CD2-CB 4.22Å; F41-F175 AromaticContact CD2-CD2 3.44Å; F41-F175 HydrophobicContact CD2-CD2 3.44Å; F41-F175 VanDerWaalsContact CD2-CD2 3.44Å; F41-F175 HydrophobicContact CD2-CE2 4.03Å; F41-F175 AromaticContact CD2-CG 3.96Å; F41-F175 HydrophobicContact CD2-CG 3.96Å; F41-F175 HydrophobicContact CE1-CB 4Å; F41-F175 AromaticContact CE1-CD1 3.63Å; F41-F175 HydrophobicContact CE1-CD1 3.63Å; F41-F175 AromaticContact CE1-CD2 3.89Å; F41-F175 HydrophobicContact CE1-CD2 3.89Å; F41-F175 HydrophobicContact CE1-CE1 4.04Å; F41-F175 HydrophobicContact CE1-CE2 4.33Å; F41-F175 AromaticContact CE1-CG 3.57Å; F41-F175 HydrophobicContact CE1-CG 3.57Å; F41-F175 HydrophobicContact CE1-CZ 4.39Å; F41-F175 HydrophobicContact CE2-CB 3.62Å; F41-F175 AromaticContact CE2-CD2 3.77Å; F41-F175 HydrophobicContact CE2-CD2 3.77Å; F41-F175 AromaticContact CE2-CG 3.79Å; F41-F175 HydrophobicContact CE2-CG 3.79Å; F41-F175 HydrophobicContact CG-CD1 4.48Å; F41-F175 AromaticContact CG-CD2 3.36Å; F41-F175 HydrophobicContact CG-CD2 3.36Å; F41-F175 AromaticContact CG-CE2 3.47Å; F41-F175 HydrophobicContact CG-CE2 3.47Å; F41-F175 VanDerWaalsContact CG-CE2 3.47Å; F41-F175 AromaticContact CG-CG 3.95Å; F41-F175 HydrophobicContact CG-CG 3.95Å; F41-F175 HydrophobicContact CG-CZ 4.08Å; F41-F175 HydrophobicContact CZ-CB 3.49Å; F41-F175 VanDerWaalsContact CZ-CB 3.49Å; F41-F175 HydrophobicContact CZ-CD1 4.06Å; F41-F175 AromaticContact CZ-CD2 3.97Å; F41-F175 HydrophobicContact CZ-CD2 3.97Å; F41-F175 AromaticContact CZ-CG 3.59Å; F41-F175 HydrophobicContact CZ-CG 3.59Å
42V95.8Very high93.7Very high35 Ų3559.9 Ų59.921%0.21230%0.298CS..Hα-helixtrans-80.2-45.7-175.2177.50000111.5V38 L39 L59 Q61 I74V38-V42 HydrophobicContact CG1-CG2 3.81Å; V38-V42 WeakPolarHBondContact O-CB 3.37Å; V38-V42 WeakPolarHBondContact O-CG2 3.12Å; V38-V42 PolarHBondContact O-N 3.2Å; L39-V42 PolarHBondContact O-N 3.37Å; V42-L59 HydrophobicContact CB-CD2 4.42Å; V42-L59 HydrophobicContact CG1-CD2 4.34Å; V42-L59 HydrophobicContact CG2-CB 4.15Å; V42-L59 HydrophobicContact CG2-CD2 4.14Å; V42-Q61 HydrophobicContact CG2-CB 4.06Å; V42-Q61 PolarHBondContact O-NE2 2.95Å; V42-I74 HydrophobicContact CG2-CD1 4.16Å
43K93.8Very high93.2Very high127 Ų12761.1 Ų61.155%0.55231%0.305SS*.Hα-helixtrans-112.2-6.4-170.8-58.9-165.6-172.4175.80114.1L39 Q45L39-K43 HydrophobicContact CD1-CB 4.15Å; L39-K43 HydrophobicContact CD1-CD 3.67Å; L39-K43 HydrophobicContact CD1-CG 4.02Å; L39-K43 WeakPolarHBondContact O-CA 3.47Å; L39-K43 PolarHBondContact O-N 2.81Å; K43-Q45 HydrophobicContact CB-CB 4.2Å; K43-Q45 HydrophobicContact CB-CG 4.12Å; K43-Q45 PolarHBondContact O-N 3.26Å
44G93.9Very high92.8Very high48 Ų4866.9 Ų66.950%0.49533%0.332SS..SBendtrans65.119.9-171.800000112.9L39 R40L39-G44 PolarHBondContact O-N 2.91Å; R40-G44 PolarHBondContact NH1-O 3.45Å; R40-G44 WeakPolarHBondContact O-CA 3.12Å; R40-G44 PolarHBondContact O-N 3.31Å
45Q93.9Very high92.4Very high91 Ų9167 Ų6743%0.42534%0.336SS..  trans-112.9155.2-174.2-71.4174.2-1.800112.1L39 R40 K43L39-Q45 CarbonylContact C-O 3.52Å; L39-Q45 HydrophobicContact CD2-CB 4.32Å; L39-Q45 HydrophobicContact CG-CB 4.19Å; R40-Q45 WeakPolarHBondContact CA-O 3.01Å; R40-Q45 PolarHBondContact N-O 3.49Å; K43-Q45 HydrophobicContact CB-CB 4.2Å; K43-Q45 HydrophobicContact CB-CG 4.12Å; K43-Q45 PolarHBondContact O-N 3.26Å
46F94.6Very high92.1Very high65 Ų6567.5 Ų67.529%0.28534%0.341SS..  trans-140.1132.1170.7173-95.7000109E48 A165 K166F46-E48 HydrophobicContact CE1-CB 4.25Å; F46-A165 HydrophobicContact CD2-CB 4.07Å; F46-A165 HydrophobicContact CE2-CB 4.25Å; F46-K166 HydrophobicContact CD1-CB 4.5Å; F46-K166 HydrophobicContact CD1-CG 4.25Å; F46-K166 HydrophobicContact CD2-CB 4.41Å; F46-K166 HydrophobicContact CE1-CB 4.14Å; F46-K166 HydrophobicContact CE1-CD 4.29Å; F46-K166 HydrophobicContact CE1-CG 3.86Å; F46-K166 HydrophobicContact CE2-CB 4.05Å; F46-K166 HydrophobicContact CZ-CB 3.9Å; F46-K166 HydrophobicContact CZ-CD 4.41Å; F46-K166 HydrophobicContact CZ-CG 4.09Å
47H92.1Very high91.9Very high90 Ų9068.7 Ų68.742%0.41735%0.351SS..  trans-110.5127.7171.2-57.4110.5000108.2L39 Y49L39-H47 WeakPolarHBondContact CD2-ND1 3.23Å; H47-Y49 VanDerWaalsContact C-N 3.27Å; H47-Y49 PolarHBondContact O-N 3.07Å
48E86Confident91.8Very high130 Ų13073.6 Ų73.661%0.60737%0.373SS*.SBendtrans-64.4-37.1177.9-173.4152.4-136.400111.4F46 K166F46-E48 HydrophobicContact CE1-CB 4.25Å; E48-K166 IonicContact OE1-NZ 3.96Å
49Y86.1Confident91.8Very high207 Ų20775.4 Ų75.481%0.81238%0.383SS*.SBendtrans-10785175.4-53.2-72.2000109.5H47H47-Y49 VanDerWaalsContact C-N 3.27Å; H47-Y49 PolarHBondContact O-N 3.07Å
50Q86.6Confident91.8Very high84 Ų8477.6 Ų77.639%0.39340%0.397SS..PPolyproline II helixtrans-88.5125.7173.3-175.761.845.200109.5
51E87.8Confident91.8Very high168 Ų16877.6 Ų77.679%0.78540%0.399SS*.PPolyproline II helixtrans-64.6152.3174.9-65.9-173.6161.300111.7T53E51-T53 PolarHBondContact O-N 3.44Å
52S89.7Confident91.6Very high74 Ų7480.3 Ų80.352%0.51742%0.417SS..PPolyproline II helixtrans-65124.2176.2-74.10000110.9I54S52-I54 PolarHBondContact O-N 3.2Å
53T86.3Confident91.5Very high27 Ų2779.1 Ų79.117%0.16641%0.409CS..PPolyproline II helixtrans-62.5129.3172.8-54.60000110.7S35 E51 D76 A78S35-T53 PolarHBondContact OG-OG1 3.4Å; E51-T53 PolarHBondContact O-N 3.44Å; T53-D76 PolarHBondContact OG1-OD2 2.9Å; T53-A78 WeakPolarHBondContact O-CB 3.48Å
54I87.3Confident91.2Very high134 Ų13477.8 Ų77.869%0.68742%0.415SS*.PPolyproline II helixtrans-98.1118.9174.7-61.8174.9000107.8S52 A56S52-I54 PolarHBondContact O-N 3.2Å; I54-A56 PolarHBondContact O-N 3.38Å; I54-A56 VanDerWaalsContact O-N 3.16Å
55G88.5Confident90.8Very high11 Ų1176.5 Ų76.511%0.11340%0.396CS..SBendtrans69.9-106.7-178.800000112.5A78G55-A78 VanDerWaalsContact O-CB 3.3Å; G55-A78 WeakPolarHBondContact O-CB 3.26Å; G55-A78 PolarHBondContact O-N 2.97Å
56A90.8Very high90.1Very high31 Ų3179.9 Ų79.926%0.25642%0.418SS..EExtended strand (participates in β ladder)trans-149.9147.6173.100000112.1I54 W75 D76 T77 Y90I54-A56 PolarHBondContact O-N 3.38Å; I54-A56 VanDerWaalsContact O-N 3.16Å; A56-W75 HydrophobicContact CB-CE3 4.33Å; A56-D76 CarbonylContact C-O 3.52Å; A56-D76 WeakPolarHBondContact CA-O 3.1Å; A56-D76 WeakPolarHBondContact CB-O 3.32Å; A56-T77 HydrophobicContact CB-CG2 4.37Å; A56-Y90 HydrophobicContact CB-CD1 3.82Å; A56-Y90 HydrophobicContact CB-CD2 4.34Å; A56-Y90 HydrophobicContact CB-CE1 3.32Å; A56-Y90 HydrophobicContact CB-CE2 3.91Å; A56-Y90 HydrophobicContact CB-CG 4.32Å
57A93.4Very high89.5Confident38 Ų3883.2 Ų83.231%0.31444%0.438SS..EExtended strand (participates in β ladder)trans-104.4142.8171.300000110.5L59 D76A57-L59 HydrophobicContact CB-CD1 4.04Å; A57-D76 HydrophobicContact CB-CB 4.35Å; A57-D76 PolarHBondContact N-O 3.33Å; A57-D76 PolarHBondContact O-N 2.95Å
58F95Very high89.3Confident104 Ų10479.5 Ų79.546%0.45642%0.422SS..EExtended strand (participates in β ladder)trans-106.6125.7176.8179.6-101.2000110.2T60 E73 I74 W75F58-T60 HydrophobicContact CE1-CG2 3.69Å; F58-T60 HydrophobicContact CZ-CG2 3.74Å; F58-E73 HydrophobicContact CE2-CB 3.83Å; F58-E73 HydrophobicContact CE2-CG 4.18Å; F58-E73 HydrophobicContact CZ-CB 4.16Å; F58-E73 HydrophobicContact CZ-CG 4.02Å; F58-I74 WeakPolarHBondContact CA-O 3.14Å; F58-W75 HydrophobicContact CD2-CD2 4.18Å; F58-W75 AromaticContact CD2-CE2 3.71Å; F58-W75 HydrophobicContact CD2-CH2 4.41Å; F58-W75 AromaticContact CD2-CZ2 3.86Å; F58-W75 HydrophobicContact CD2-CZ2 3.86Å; F58-W75 AromaticContact CD2-NE1 3.86Å; F58-W75 HydrophobicContact CE2-CZ2 4.24Å; F58-W75 AromaticContact CE2-NE1 3.91Å
59L96.2Very high89.6Confident39 Ų3974.1 Ų74.120%0.20440%0.398CS..EExtended strand (participates in β ladder)trans-132.9155.3177.3-61.697.2000109.7V38 V42 A57 I74 D76V38-L59 HydrophobicContact CG1-CB 4.21Å; V38-L59 HydrophobicContact CG1-CD1 3.89Å; V38-L59 HydrophobicContact CG1-CD2 4.07Å; V38-L59 HydrophobicContact CG1-CG 4.27Å; V42-L59 HydrophobicContact CB-CD2 4.42Å; V42-L59 HydrophobicContact CG1-CD2 4.34Å; V42-L59 HydrophobicContact CG2-CB 4.15Å; V42-L59 HydrophobicContact CG2-CD2 4.14Å; A57-L59 HydrophobicContact CB-CD1 4.04Å; L59-I74 HydrophobicContact CB-CB 4.39Å; L59-I74 PolarHBondContact N-O 3.06Å; L59-I74 WeakPolarHBondContact O-CA 3.49Å; L59-I74 WeakPolarHBondContact O-CB 3.49Å; L59-I74 PolarHBondContact O-N 3.01Å; L59-D76 HydrophobicContact CD1-CB 4.33Å
60T96.6Very high90Very high63 Ų6364.2 Ų64.239%0.38736%0.359SS..EExtended strand (participates in β ladder)trans-125.9138173.159.80000110.6F58 F72F58-T60 HydrophobicContact CE1-CG2 3.69Å; F58-T60 HydrophobicContact CZ-CG2 3.74Å; T60-F72 VanDerWaalsContact CA-O 3.24Å; T60-F72 WeakPolarHBondContact CA-O 3.22Å
61Q95.9Very high90.4Very high54 Ų5463.6 Ų63.625%0.25236%0.355SS..EExtended strand (participates in β ladder)trans-142.2141.9172.2179.961.3-57.600110.6F41 V42 F72 I74F41-Q61 HydrophobicContact CD1-CB 4.03Å; F41-Q61 HydrophobicContact CD1-CG 3.88Å; F41-Q61 HydrophobicContact CE1-CB 3.56Å; F41-Q61 HydrophobicContact CE1-CG 3.38Å; F41-Q61 HydrophobicContact CE2-CG 4.16Å; F41-Q61 HydrophobicContact CG-CG 4.48Å; F41-Q61 HydrophobicContact CZ-CB 4.18Å; F41-Q61 HydrophobicContact CZ-CG 3.54Å; F41-Q61 PolarHBondContact O-NE2 2.87Å; V42-Q61 HydrophobicContact CG2-CB 4.06Å; V42-Q61 PolarHBondContact O-NE2 2.95Å; Q61-F72 PolarHBondContact N-O 3.22Å; Q61-F72 VanDerWaalsContact N-O 3.14Å; Q61-F72 PolarHBondContact O-N 2.69Å; Q61-I74 HydrophobicContact CB-CD1 4.24Å
62T94.1Very high90.9Very high67 Ų6755.6 Ų55.641%0.41132%0.317SS..EExtended strand (participates in β ladder)trans-106.8134.5180-59.50000110.2T69 V70T62-T69 HydrophobicContact CG2-CG2 3.21Å; T62-V70 CarbonylContact C-O 3.38Å; T62-V70 WeakPolarHBondContact CA-O 3.21Å
63V92.4Very high91.2Very high9 Ų954.7 Ų54.76%0.05531%0.305CS..EExtended strand (participates in β ladder)trans-119.3127.3174.1-1770000108.4F41 L65 V70 F72 M176F41-V63 HydrophobicContact CE2-CG2 4.05Å; F41-V63 HydrophobicContact CZ-CG2 3.53Å; V63-L65 HydrophobicContact CG1-CD2 4.45Å; V63-V70 PolarHBondContact N-O 2.99Å; V63-V70 PolarHBondContact O-N 2.82Å; V63-F72 HydrophobicContact CG2-CD2 4.18Å; V63-F72 HydrophobicContact CG2-CE2 4.04Å; V63-M176 HydrophobicContact CG1-CE 4.4Å; V63-M176 HydrophobicContact CG1-CG 3.91Å
64C89.1Confident91.8Very high99 Ų9953.4 Ų53.467%0.66930%0.297SS*.EExtended strand (participates in β ladder)trans-86.2121172.8-59.50000109.3
65L84.9Confident92.3Very high21 Ų2150.4 Ų50.411%0.1128%0.277CS..EExtended strand (participates in β ladder)trans-100.7158.5161.9-52.7174.1000107.9V63 D67 T68 V70 A179 K180V63-L65 HydrophobicContact CG1-CD2 4.45Å; L65-D67 VanDerWaalsContact C-N 3.26Å; L65-D67 PolarHBondContact O-N 3.5Å; L65-T68 CarbonylContact C-O 3.55Å; L65-T68 WeakPolarHBondContact CA-O 3.4Å; L65-T68 VanDerWaalsContact CB-O 3.24Å; L65-T68 WeakPolarHBondContact CB-O 3.43Å; L65-T68 PolarHBondContact N-O 3.49Å; L65-T68 PolarHBondContact O-N 3.19Å; L65-V70 HydrophobicContact CD1-CG2 3.97Å; L65-A179 HydrophobicContact CD1-CB 4.05Å; L65-A179 HydrophobicContact CD2-CB 4.38Å; L65-K180 HydrophobicContact CD2-CG 4.18Å
66D80Confident92.6Very high163 Ų16350.1 Ų50.187%0.87227%0.273SS*.THydrogen-bonded Turntrans-44-48.5-170.2-54.8-41000113.7
67D81.3Confident92.8Very high135 Ų13549 Ų4972%0.72226%0.263SS*.THydrogen-bonded Turntrans-113.85.5-178.1-55.5-43.9000114.1L65L65-D67 VanDerWaalsContact C-N 3.26Å; L65-D67 PolarHBondContact O-N 3.5Å
68T88Confident92.6Very high12 Ų1247.7 Ų47.77%0.07425%0.252CS..EExtended strand (participates in β ladder)trans-153.6133.6-171.9-54.80000111.4K18 C20 L65 V70 K184K18-T68 HydrophobicContact CB-CG2 4.38Å; K18-T68 CarbonylContact O-C 3.46Å; K18-T68 WeakPolarHBondContact O-CA 3.24Å; K18-T68 VanDerWaalsContact O-CG2 3.24Å; K18-T68 WeakPolarHBondContact O-CG2 3.5Å; C20-T68 HydrophobicContact CB-CG2 4.47Å; L65-T68 CarbonylContact C-O 3.55Å; L65-T68 WeakPolarHBondContact CA-O 3.4Å; L65-T68 VanDerWaalsContact CB-O 3.24Å; L65-T68 WeakPolarHBondContact CB-O 3.43Å; L65-T68 PolarHBondContact N-O 3.49Å; L65-T68 PolarHBondContact O-N 3.19Å; T68-V70 HydrophobicContact CG2-CG2 4.43Å; T68-K184 HydrophobicContact CG2-CD 4.19Å; T68-K184 HydrophobicContact CG2-CG 4.4Å
69T91.5Very high92Very high16 Ų1643.5 Ų43.510%0.09824%0.239CC..EExtended strand (participates in β ladder)trans-94.9122.6172.3-59.60000109.8N17 K18 I19 C20 T62N17-T69 PolarHBondContact ND2-OG1 3.29Å; N17-T69 PolarHBondContact OD1-OG1 2.86Å; K18-T69 PolarHBondContact O-N 2.86Å; I19-T69 CarbonylContact C-O 3.54Å; I19-T69 VanDerWaalsContact CA-O 3.31Å; I19-T69 WeakPolarHBondContact CA-O 3.48Å; C20-T69 PolarHBondContact N-O 3.5Å; T62-T69 HydrophobicContact CG2-CG2 3.21Å
70V94.4Very high91.4Very high0 Ų043.9 Ų43.90%024%0.24CC..EExtended strand (participates in β ladder)trans-104.3118.3178.2170.90000109.7C20 F22 T62 V63 L65 T68 F72 A179C20-V70 CarbonylContact O-C 3.59Å; C20-V70 WeakPolarHBondContact O-CA 3.5Å; F22-V70 HydrophobicContact CD2-CG1 3.82Å; F22-V70 HydrophobicContact CE2-CG1 4.35Å; F22-V70 HydrophobicContact CE2-CG2 4.33Å; T62-V70 CarbonylContact C-O 3.38Å; T62-V70 WeakPolarHBondContact CA-O 3.21Å; V63-V70 PolarHBondContact N-O 2.99Å; V63-V70 PolarHBondContact O-N 2.82Å; L65-V70 HydrophobicContact CD1-CG2 3.97Å; T68-V70 HydrophobicContact CG2-CG2 4.43Å; V70-F72 HydrophobicContact CG1-CD1 4.33Å; V70-F72 HydrophobicContact CG1-CD2 4.26Å; V70-F72 HydrophobicContact CG1-CE1 4.05Å; V70-F72 HydrophobicContact CG1-CE2 3.98Å; V70-F72 HydrophobicContact CG1-CG 4.44Å; V70-F72 HydrophobicContact CG1-CZ 3.88Å; V70-A179 HydrophobicContact CB-CB 4.25Å; V70-A179 HydrophobicContact CG1-CB 4.16Å; V70-A179 HydrophobicContact CG2-CB 4.22Å
71K95.9Very high90.6Very high70 Ų7048.9 Ų48.930%0.30426%0.258SS..EExtended strand (participates in β ladder)trans-97.3113.8171.2-175.2-177.6177.6-169.80109.6C20 Q21 F22C20-K71 PolarHBondContact O-N 3.38Å; Q21-K71 VanDerWaalsContact CA-O 3.32Å; Q21-K71 WeakPolarHBondContact CA-O 3.25Å; Q21-K71 HydrophobicContact CG-CB 4.49Å; Q21-K71 HydrophobicContact CG-CD 4.44Å; F22-K71 PolarHBondContact N-O 2.85Å
72F97.4Very high90.1Very high0 Ų054.9 Ų54.90%028%0.279CS..EExtended strand (participates in β ladder)trans-84.2132.5171.9-71.6-64.1000111.4F22 L24 F41 T60 Q61 V63 V70 I74 F175 I178 A179 L182F22-F72 HydrophobicContact CB-CD1 4.43Å; F22-F72 WeakPolarHBondContact O-CA 3.47Å; L24-F72 HydrophobicContact CB-CD1 4.04Å; L24-F72 HydrophobicContact CD1-CD1 3.9Å; L24-F72 HydrophobicContact CD1-CE1 3.86Å; L24-F72 HydrophobicContact CD1-CZ 4.44Å; F41-F72 HydrophobicContact CE1-CD2 4.28Å; F41-F72 HydrophobicContact CZ-CD2 4.3Å; T60-F72 VanDerWaalsContact CA-O 3.24Å; T60-F72 WeakPolarHBondContact CA-O 3.22Å; Q61-F72 PolarHBondContact N-O 3.22Å; Q61-F72 VanDerWaalsContact N-O 3.14Å; Q61-F72 PolarHBondContact O-N 2.69Å; V63-F72 HydrophobicContact CG2-CD2 4.18Å; V63-F72 HydrophobicContact CG2-CE2 4.04Å; V70-F72 HydrophobicContact CG1-CD1 4.33Å; V70-F72 HydrophobicContact CG1-CD2 4.26Å; V70-F72 HydrophobicContact CG1-CE1 4.05Å; V70-F72 HydrophobicContact CG1-CE2 3.98Å; V70-F72 HydrophobicContact CG1-CG 4.44Å; V70-F72 HydrophobicContact CG1-CZ 3.88Å; F72-I74 HydrophobicContact CB-CD1 4.19Å; F72-I74 HydrophobicContact CB-CG1 3.75Å; F72-F175 HydrophobicContact CE2-CB 4.2Å; F72-I178 HydrophobicContact CE1-CG2 4.1Å; F72-I178 HydrophobicContact CZ-CB 4.49Å; F72-I178 HydrophobicContact CZ-CG2 4.16Å; F72-A179 HydrophobicContact CE2-CB 4.08Å; F72-A179 HydrophobicContact CZ-CB 3.77Å; F72-L182 HydrophobicContact CE1-CD1 3.82Å; F72-L182 HydrophobicContact CZ-CD1 4.41Å
73E97.4Very high89.6Confident56 Ų5654.5 Ų54.526%0.26227%0.27SS..EExtended strand (participates in β ladder)trans-100.596.8163.7-72.4-170.1148.400108.5Q21 F22 K23 L24 F58Q21-E73 HydrophobicContact CG-CG 4.02Å; Q21-E73 PolarHBondContact NE2-OE1 3.3Å; F22-E73 PolarHBondContact O-N 3.07Å; K23-E73 WeakPolarHBondContact CA-O 3.34Å; L24-E73 PolarHBondContact N-O 2.79Å; L24-E73 VanDerWaalsContact O-O 3.11Å; F58-E73 HydrophobicContact CE2-CB 3.83Å; F58-E73 HydrophobicContact CE2-CG 4.18Å; F58-E73 HydrophobicContact CZ-CB 4.16Å; F58-E73 HydrophobicContact CZ-CG 4.02Å
74I97.8Very high89.3Confident0 Ų058.2 Ų58.20%029%0.287CS..EExtended strand (participates in β ladder)trans-94.1121.2-168.1-54173.7000109.8L24 L26 V38 F41 V42 F58 L59 Q61 F72 F175L24-I74 HydrophobicContact CD2-CG2 4.15Å; L24-I74 CarbonylContact O-C 3.55Å; L24-I74 WeakPolarHBondContact O-CA 3.3Å; L26-I74 HydrophobicContact CD1-CG2 3.32Å; V38-I74 HydrophobicContact CG1-CB 4.46Å; V38-I74 HydrophobicContact CG1-CD1 4.26Å; V38-I74 HydrophobicContact CG1-CG2 3.78Å; V38-I74 HydrophobicContact CG2-CG2 3.86Å; F41-I74 HydrophobicContact CD1-CD1 3.82Å; F41-I74 HydrophobicContact CE1-CD1 3.88Å; V42-I74 HydrophobicContact CG2-CD1 4.16Å; F58-I74 WeakPolarHBondContact CA-O 3.14Å; L59-I74 HydrophobicContact CB-CB 4.39Å; L59-I74 PolarHBondContact N-O 3.06Å; L59-I74 WeakPolarHBondContact O-CA 3.49Å; L59-I74 WeakPolarHBondContact O-CB 3.49Å; L59-I74 PolarHBondContact O-N 3.01Å; Q61-I74 HydrophobicContact CB-CD1 4.24Å; F72-I74 HydrophobicContact CB-CD1 4.19Å; F72-I74 HydrophobicContact CB-CG1 3.75Å; I74-F175 HydrophobicContact CD1-CE1 4.29Å
75W97.1Very high89.2Confident70 Ų7058.2 Ų58.227%0.26529%0.288SS..EExtended strand (participates in β ladder)trans-102100.5172-67.781.6000109.3L24 V25 L26 A56 F58 Y90L24-W75 PolarHBondContact O-N 2.69Å; V25-W75 HydrophobicContact CB-CB 4.35Å; V25-W75 HydrophobicContact CG2-CB 4.15Å; L26-W75 PolarHBondContact N-O 2.76Å; A56-W75 HydrophobicContact CB-CE3 4.33Å; F58-W75 HydrophobicContact CD2-CD2 4.18Å; F58-W75 AromaticContact CD2-CE2 3.71Å; F58-W75 HydrophobicContact CD2-CH2 4.41Å; F58-W75 AromaticContact CD2-CZ2 3.86Å; F58-W75 HydrophobicContact CD2-CZ2 3.86Å; F58-W75 AromaticContact CD2-NE1 3.86Å; F58-W75 HydrophobicContact CE2-CZ2 4.24Å; F58-W75 AromaticContact CE2-NE1 3.91Å; W75-Y90 HydrophobicContact CD2-CD1 4.48Å; W75-Y90 AromaticContact CE3-CD1 3.67Å; W75-Y90 HydrophobicContact CE3-CD1 3.67Å; W75-Y90 HydrophobicContact CE3-CE1 4.06Å; W75-Y90 HydrophobicContact CZ3-CD1 4.06Å; W75-Y90 HydrophobicContact CZ3-CE1 4.11Å
76D96.1Very high89.5Confident6 Ų660.1 Ų60.13%0.03230%0.298CS..EExtended strand (participates in β ladder)trans-84.3106.8172.2177.141.9000109.4K34 S35 V38 T53 A56 A57 L59K34-D76 WeakPolarHBondContact CB-OD1 3.34Å; S35-D76 WeakPolarHBondContact CA-OD2 3.39Å; S35-D76 WeakPolarHBondContact CB-OD2 3.29Å; S35-D76 PolarHBondContact N-OD1 2.79Å; S35-D76 PolarHBondContact OG-OD1 3.46Å; S35-D76 PolarHBondContact OG-OD2 2.75Å; V38-D76 HydrophobicContact CG2-CB 4.31Å; T53-D76 PolarHBondContact OG1-OD2 2.9Å; A56-D76 CarbonylContact C-O 3.52Å; A56-D76 WeakPolarHBondContact CA-O 3.1Å; A56-D76 WeakPolarHBondContact CB-O 3.32Å; A57-D76 HydrophobicContact CB-CB 4.35Å; A57-D76 PolarHBondContact N-O 3.33Å; A57-D76 PolarHBondContact O-N 2.95Å; L59-D76 HydrophobicContact CD1-CB 4.33Å
77T94.4Very high89.9Confident7 Ų752.6 Ų52.64%0.04326%0.258CS..EExtended strand (participates in β ladder)trans-92.2153.8-176.477.80000112.2V25 L26 L27 K34 A56 Y90V25-T77 HydrophobicContact CG2-CG2 3.76Å; L26-T77 WeakPolarHBondContact O-CG2 3.31Å; L26-T77 PolarHBondContact O-OG1 3.14Å; L27-T77 HydrophobicContact CD2-CG2 4.24Å; K34-T77 WeakPolarHBondContact CE-O 3.5Å; A56-T77 HydrophobicContact CB-CG2 4.37Å; T77-Y90 HydrophobicContact CG2-CD2 3.71Å; T77-Y90 HydrophobicContact CG2-CE2 4.49Å; T77-Y90 HydrophobicContact CG2-CG 3.84Å
78A90.1Very high90.4Very high10 Ų1048.4 Ų48.48%0.08324%0.239CC..  trans-60.5141166.800000110.4T53 G55 Y83T53-A78 WeakPolarHBondContact O-CB 3.48Å; G55-A78 VanDerWaalsContact O-CB 3.3Å; G55-A78 WeakPolarHBondContact O-CB 3.26Å; G55-A78 PolarHBondContact O-N 2.97Å; A78-Y83 HydrophobicContact CB-CD2 3.41Å; A78-Y83 VanDerWaalsContact CB-CD2 3.41Å; A78-Y83 HydrophobicContact CB-CE2 4.11Å; A78-Y83 HydrophobicContact CB-CG 4Å
79G81.1Confident90.7Very high17 Ų1753.2 Ų53.218%0.17526%0.261CS..  trans-94.6-2.5174.600000114.5G28 S30 K34G28-G79 VanDerWaalsContact O-CA 3.25Å; G28-G79 WeakPolarHBondContact O-CA 3.26Å; S30-G79 PolarHBondContact N-O 2.79Å; S30-G79 VanDerWaalsContact N-O 3.15Å; K34-G79 VanDerWaalsContact NZ-CA 3.26Å
80Q84.6Confident90.7Very high47 Ų4753.7 Ų53.722%0.2226%0.262CS..SBendtrans-72.9136.6178.8-61.1-179.625.800110.1R82 Y83Q80-R82 PolarHBondContact O-N 3.26Å; Q80-R82 VanDerWaalsContact O-N 3.12Å; Q80-R82 VanDerWaalsContact OE1-NH2 3.09Å; Q80-Y83 HydrophobicContact CB-CD2 3.95Å; Q80-Y83 HydrophobicContact CB-CE2 4.3Å; Q80-Y83 PolarHBondContact O-N 3.43Å
81E79.3Confident90.7Very high167 Ų16753.9 Ų53.978%0.7826%0.262SS*.G310 helixtrans-54.4-32.3179.665-173.1-170.100113.9Y83 H84E81-Y83 PolarHBondContact O-N 3.38Å; E81-Y83 VanDerWaalsContact O-N 3.07Å; E81-H84 WeakPolarHBondContact O-CB 3.33Å; E81-H84 PolarHBondContact O-N 3.15Å
82R84.3Confident90.6Very high180 Ų18060 Ų6068%0.67928%0.284SS*.G310 helixtrans-60.3-21.4178.2-65.5-171.7-64-179.2-1.1113.2Q80Q80-R82 PolarHBondContact O-N 3.26Å; Q80-R82 VanDerWaalsContact O-N 3.12Å; Q80-R82 VanDerWaalsContact OE1-NH2 3.09Å
83Y84.6Confident90.3Very high60 Ų6062.1 Ų62.124%0.23531%0.305CS..G310 helixtrans-101.92.5176.4-56.3-64.1000113.2A78 Q80 E81 S85 L86A78-Y83 HydrophobicContact CB-CD2 3.41Å; A78-Y83 VanDerWaalsContact CB-CD2 3.41Å; A78-Y83 HydrophobicContact CB-CE2 4.11Å; A78-Y83 HydrophobicContact CB-CG 4Å; Q80-Y83 HydrophobicContact CB-CD2 3.95Å; Q80-Y83 HydrophobicContact CB-CE2 4.3Å; Q80-Y83 PolarHBondContact O-N 3.43Å; E81-Y83 PolarHBondContact O-N 3.38Å; E81-Y83 VanDerWaalsContact O-N 3.07Å; Y83-S85 VanDerWaalsContact C-N 3.28Å; Y83-S85 PolarHBondContact O-N 2.79Å; Y83-L86 HydrophobicContact CD1-CD1 4.02Å; Y83-L86 WeakPolarHBondContact O-CA 3.44Å; Y83-L86 WeakPolarHBondContact O-CB 3.22Å; Y83-L86 PolarHBondContact O-N 2.91Å
84H85.4Confident90.2Very high86 Ų8659.5 Ų59.540%0.39829%0.293SS..G310 helixtrans-59.6-37.4-177.7-179.670.1000112.3E81 L86 A87 W115 E118E81-H84 WeakPolarHBondContact O-CB 3.33Å; E81-H84 PolarHBondContact O-N 3.15Å; H84-L86 PolarHBondContact O-N 3.41Å; H84-L86 VanDerWaalsContact O-N 3.11Å; H84-A87 VanDerWaalsContact O-CB 3.3Å; H84-A87 WeakPolarHBondContact O-CB 3.18Å; H84-A87 PolarHBondContact O-N 3.07Å; H84-W115 AromaticContact CE1-CH2 3.44Å; H84-W115 VanDerWaalsContact CE1-CH2 3.44Å; H84-W115 WeakPolarHBondContact CE1-CH2 3.16Å; H84-W115 AromaticContact CE1-CZ2 3.92Å; H84-W115 AromaticContact CE1-CZ3 3.76Å; H84-W115 AromaticContact ND1-CH2 3Å; H84-W115 WeakPolarHBondContact ND1-CH2 3.46Å; H84-W115 AromaticContact ND1-CZ2 3.31Å; H84-W115 VanDerWaalsContact ND1-CZ2 3.31Å; H84-W115 WeakPolarHBondContact ND1-CZ2 3.5Å; H84-W115 AromaticContact ND1-CZ3 3.8Å; H84-E118 IonicContact CE1-OE2 3.34Å; H84-E118 PolarHBondContact CE1-OE2 2.98Å; H84-E118 IonicContact NE2-OE2 3.85Å
85S88Confident90.2Very high99 Ų9961.6 Ų61.669%0.69230%0.303SS*.G310 helixtrans-63-16.117557.50000114.1Y83Y83-S85 VanDerWaalsContact C-N 3.28Å; Y83-S85 PolarHBondContact O-N 2.79Å
86L90.1Very high90.2Very high61 Ų6158.3 Ų58.332%0.31929%0.29SS..G310 helixtrans-92-7.6174.1-53.3179.5000112.5Y83 H84 P88 M89 Y90Y83-L86 HydrophobicContact CD1-CD1 4.02Å; Y83-L86 WeakPolarHBondContact O-CA 3.44Å; Y83-L86 WeakPolarHBondContact O-CB 3.22Å; Y83-L86 PolarHBondContact O-N 2.91Å; H84-L86 PolarHBondContact O-N 3.41Å; H84-L86 VanDerWaalsContact O-N 3.11Å; L86-P88 VanDerWaalsContact C-CD 3.49Å; L86-M89 HydrophobicContact CB-CG 4.24Å; L86-M89 HydrophobicContact CB-SD 4.02Å; L86-M89 HydrophobicContact CD2-SD 3.97Å; L86-M89 HydrophobicContact CG-SD 4.5Å; L86-M89 WeakPolarHBondContact O-CG 3.14Å; L86-M89 PolarHBondContact O-N 3.44Å; L86-Y90 HydrophobicContact CB-CE2 3.86Å; L86-Y90 WeakPolarHBondContact O-CD2 3.46Å; L86-Y90 WeakPolarHBondContact O-CE2 3.35Å
87A89.3Confident90.3Very high5 Ų558 Ų584%0.04129%0.289CS..Hα-helixtrans-59.4-40179.400000113.8L27 H84 M89 Y90 Y91 W115L27-A87 HydrophobicContact CD2-CB 4.37Å; H84-A87 VanDerWaalsContact O-CB 3.3Å; H84-A87 WeakPolarHBondContact O-CB 3.18Å; H84-A87 PolarHBondContact O-N 3.07Å; A87-M89 VanDerWaalsContact C-N 3.27Å; A87-M89 PolarHBondContact O-N 3.4Å; A87-Y90 PolarHBondContact O-N 3.31Å; A87-Y91 HydrophobicContact CB-CD1 4.38Å; A87-Y91 HydrophobicContact CB-CE1 4.19Å; A87-Y91 WeakPolarHBondContact O-CD1 3.34Å; A87-Y91 WeakPolarHBondContact O-CE1 3.29Å; A87-Y91 PolarHBondContact O-N 3.23Å; A87-W115 HydrophobicContact CB-CH2 3.34Å; A87-W115 HydrophobicContact CB-CZ3 3.47Å; A87-W115 VanDerWaalsContact CB-CZ3 3.47Å
88P92.6Very high90.5Very high48 Ų4857.7 Ų57.731%0.31229%0.287SS..Hα-helixtrans-57.5-34.3178.1-25.934.5000114.8L86 Y90 Y91 R92L86-P88 VanDerWaalsContact C-CD 3.49Å; P88-Y90 VanDerWaalsContact C-N 3.3Å; P88-Y90 PolarHBondContact O-N 2.82Å; P88-Y91 VanDerWaalsContact CA-CE1 3.46Å; P88-Y91 VanDerWaalsContact CA-CZ 3.43Å; P88-Y91 HydrophobicContact CB-CE1 4.3Å; P88-Y91 HydrophobicContact CB-CE2 4.47Å; P88-Y91 HydrophobicContact CG-CE1 4.27Å; P88-Y91 WeakPolarHBondContact CG-OH 3.45Å; P88-R92 VanDerWaalsContact O-CB 3.27Å; P88-R92 WeakPolarHBondContact O-CB 3Å; P88-R92 PolarHBondContact O-N 2.88Å
89M92.7Very high90.9Very high112 Ų11257.2 Ų57.255%0.55228%0.283SS*.Hα-helixtrans-69.2-28.7176.654.5174.5-66.300112.5L86 A87L86-M89 HydrophobicContact CB-CG 4.24Å; L86-M89 HydrophobicContact CB-SD 4.02Å; L86-M89 HydrophobicContact CD2-SD 3.97Å; L86-M89 HydrophobicContact CG-SD 4.5Å; L86-M89 WeakPolarHBondContact O-CG 3.14Å; L86-M89 PolarHBondContact O-N 3.44Å; A87-M89 VanDerWaalsContact C-N 3.27Å; A87-M89 PolarHBondContact O-N 3.4Å
90Y92.7Very high91.7Very high26 Ų2656.4 Ų56.410%0.10228%0.275CS..Hα-helixtrans-81.7-45.3-178.4-61.5-56.1000112.8K23 A56 W75 T77 L86 A87 P88 R92K23-Y90 WeakPolarHBondContact CE-O 3.24Å; K23-Y90 PolarHBondContact NZ-O 2.82Å; A56-Y90 HydrophobicContact CB-CD1 3.82Å; A56-Y90 HydrophobicContact CB-CD2 4.34Å; A56-Y90 HydrophobicContact CB-CE1 3.32Å; A56-Y90 HydrophobicContact CB-CE2 3.91Å; A56-Y90 HydrophobicContact CB-CG 4.32Å; W75-Y90 HydrophobicContact CD2-CD1 4.48Å; W75-Y90 AromaticContact CE3-CD1 3.67Å; W75-Y90 HydrophobicContact CE3-CD1 3.67Å; W75-Y90 HydrophobicContact CE3-CE1 4.06Å; W75-Y90 HydrophobicContact CZ3-CD1 4.06Å; W75-Y90 HydrophobicContact CZ3-CE1 4.11Å; T77-Y90 HydrophobicContact CG2-CD2 3.71Å; T77-Y90 HydrophobicContact CG2-CE2 4.49Å; T77-Y90 HydrophobicContact CG2-CG 3.84Å; L86-Y90 HydrophobicContact CB-CE2 3.86Å; L86-Y90 WeakPolarHBondContact O-CD2 3.46Å; L86-Y90 WeakPolarHBondContact O-CE2 3.35Å; A87-Y90 PolarHBondContact O-N 3.31Å; P88-Y90 VanDerWaalsContact C-N 3.3Å; P88-Y90 PolarHBondContact O-N 2.82Å; Y90-R92 VanDerWaalsContact C-N 3.33Å; Y90-R92 PolarHBondContact O-N 3.36Å
91Y93.8Very high92.4Very high4 Ų454.2 Ų54.22%0.01626%0.264CS..Hα-helixtrans-81-10.7179.565.4-113.1000113.9L27 A87 P88 G93 A94 E118 L119 Q122 A123L27-Y91 HydrophobicContact CD1-CD1 4.21Å; A87-Y91 HydrophobicContact CB-CD1 4.38Å; A87-Y91 HydrophobicContact CB-CE1 4.19Å; A87-Y91 WeakPolarHBondContact O-CD1 3.34Å; A87-Y91 WeakPolarHBondContact O-CE1 3.29Å; A87-Y91 PolarHBondContact O-N 3.23Å; P88-Y91 VanDerWaalsContact CA-CE1 3.46Å; P88-Y91 VanDerWaalsContact CA-CZ 3.43Å; P88-Y91 HydrophobicContact CB-CE1 4.3Å; P88-Y91 HydrophobicContact CB-CE2 4.47Å; P88-Y91 HydrophobicContact CG-CE1 4.27Å; P88-Y91 WeakPolarHBondContact CG-OH 3.45Å; Y91-G93 PolarHBondContact O-N 2.95Å; Y91-A94 VanDerWaalsContact O-CB 3.29Å; Y91-A94 WeakPolarHBondContact O-CB 3.45Å; Y91-A94 PolarHBondContact O-N 3.26Å; Y91-E118 PolarHBondContact OH-OE1 3.01Å; Y91-L119 HydrophobicContact CD1-CD2 4.11Å; Y91-L119 HydrophobicContact CD2-CD2 4.34Å; Y91-L119 HydrophobicContact CG-CD2 3.87Å; Y91-Q122 HydrophobicContact CE2-CB 3.98Å; Y91-Q122 PolarHBondContact OH-OE1 2.98Å; Y91-A123 HydrophobicContact CD2-CB 4Å; Y91-A123 HydrophobicContact CE2-CB 4.45Å
92R93.8Very high93.3Very high200 Ų20046.8 Ų46.876%0.75523%0.23SC*.THydrogen-bonded Turntrans-57.8122.6174.4-176.7178-179.696.20.2110.7K23 P88 Y90 A94K23-R92 PolarHBondContact NZ-O 2.82Å; P88-R92 VanDerWaalsContact O-CB 3.27Å; P88-R92 WeakPolarHBondContact O-CB 3Å; P88-R92 PolarHBondContact O-N 2.88Å; Y90-R92 VanDerWaalsContact C-N 3.33Å; Y90-R92 PolarHBondContact O-N 3.36Å; R92-A94 PolarHBondContact O-N 3.35Å
93G91.6Very high94Very high44 Ų4438.2 Ų38.245%0.45420%0.198SC..THydrogen-bonded Turntrans71.59.5-178.900000114.6Y91 Q95Y91-G93 PolarHBondContact O-N 2.95Å; G93-Q95 PolarHBondContact O-OE1 3.41Å
94A95.9Very high94.6Very high0 Ų037.1 Ų37.10%020%0.197CC..  trans-72.3133.9172.100000110.3K23 V25 Y91 R92 I127K23-A94 HydrophobicContact CD-CB 4.38Å; K23-A94 HydrophobicContact CG-CB 4.18Å; V25-A94 HydrophobicContact CG1-CB 4.09Å; Y91-A94 VanDerWaalsContact O-CB 3.29Å; Y91-A94 WeakPolarHBondContact O-CB 3.45Å; Y91-A94 PolarHBondContact O-N 3.26Å; R92-A94 PolarHBondContact O-N 3.35Å; A94-I127 HydrophobicContact CB-CD1 4.35Å
95Q96.8Very high95.1Very high45 Ų4536 Ų3621%0.2119%0.194CC..SBendtrans-88.3-19.3174.6-60.492.8-25.300111.9F22 K23 G93 V128 L182F22-Q95 HydrophobicContact CD1-CB 3.97Å; F22-Q95 HydrophobicContact CD1-CG 3.97Å; K23-Q95 PolarHBondContact O-N 2.87Å; K23-Q95 PolarHBondContact O-OE1 2.92Å; G93-Q95 PolarHBondContact O-OE1 3.41Å; Q95-V128 PolarHBondContact O-N 2.81Å; Q95-L182 HydrophobicContact CB-CD2 3.8Å; Q95-L182 WeakPolarHBondContact O-CD2 3.47Å
96A97.5Very high95.6Very high0 Ų034.1 Ų34.10%018%0.179CC..EExtended strand (participates in β ladder)trans-137.9152.4174.100000112.4K23 L24 V25 V128 I178 L182K23-A96 PolarHBondContact O-N 3.28Å; L24-A96 WeakPolarHBondContact CA-O 3.41Å; L24-A96 HydrophobicContact CB-CB 4.36Å; L24-A96 HydrophobicContact CD1-CB 4.13Å; L24-A96 HydrophobicContact CG-CB 4.14Å; V25-A96 PolarHBondContact N-O 2.85Å; V25-A96 VanDerWaalsContact N-O 3.11Å; A96-V128 CarbonylContact C-O 3.55Å; A96-V128 WeakPolarHBondContact CA-O 3.48Å; A96-V128 HydrophobicContact CB-CB 4.43Å; A96-I178 HydrophobicContact CB-CG2 3.48Å; A96-I178 VanDerWaalsContact CB-CG2 3.48Å; A96-L182 HydrophobicContact CB-CD1 4.47Å; A96-L182 HydrophobicContact CB-CD2 4.38Å
97A98Very high95.9Very high0 Ų036.7 Ų36.70%019%0.193CC..EExtended strand (participates in β ladder)trans-136.1141.4170.500000110.7V25 L119 I127 V128 I129 A130V25-A97 HydrophobicContact CG1-CB 3.74Å; V25-A97 CarbonylContact O-C 3.47Å; V25-A97 VanDerWaalsContact O-CA 3.28Å; V25-A97 WeakPolarHBondContact O-CA 3.39Å; A97-L119 HydrophobicContact CB-CD1 3.59Å; A97-L119 HydrophobicContact CB-CD2 4.28Å; A97-I127 HydrophobicContact CB-CD1 3.88Å; A97-V128 PolarHBondContact N-O 3.21Å; A97-I129 WeakPolarHBondContact O-CA 3.22Å; A97-A130 PolarHBondContact O-N 3.17Å
98I98.4Very high96.3Very high0 Ų036.6 Ų36.60%019%0.192CC..EExtended strand (participates in β ladder)trans-111.2116.4167.2-54.6179.2000107.9L24 V25 L26 L27 V100 A130 A132 I174 F175 I178L24-I98 HydrophobicContact CD1-CD1 4.15Å; L24-I98 HydrophobicContact CD1-CG1 4.29Å; L24-I98 HydrophobicContact CD2-CD1 4.06Å; L24-I98 HydrophobicContact CD2-CG1 4.12Å; L24-I98 HydrophobicContact CG-CG1 4.48Å; V25-I98 PolarHBondContact O-N 2.91Å; L26-I98 CarbonylContact C-O 3.6Å; L26-I98 WeakPolarHBondContact CA-O 3.34Å; L26-I98 HydrophobicContact CG-CB 4.29Å; L27-I98 PolarHBondContact N-O 2.84Å; I98-V100 HydrophobicContact CG2-CG2 3.83Å; I98-A130 CarbonylContact C-O 3.58Å; I98-A130 WeakPolarHBondContact CA-O 3.34Å; I98-A130 HydrophobicContact CG1-CB 4.42Å; I98-A132 HydrophobicContact CG2-CB 3.85Å; I98-I174 HydrophobicContact CG2-CD1 4.19Å; I98-F175 HydrophobicContact CD1-CD1 3.92Å; I98-F175 HydrophobicContact CD1-CE1 3.44Å; I98-F175 VanDerWaalsContact CD1-CE1 3.44Å; I98-F175 HydrophobicContact CD1-CE2 4.36Å; I98-F175 HydrophobicContact CD1-CZ 3.67Å; I98-I178 HydrophobicContact CD1-CD1 3.7Å; I98-I178 HydrophobicContact CG1-CD1 3.51Å
99V98.3Very high96.6Very high0 Ų034.3 Ų34.30%018%0.177CC..EExtended strand (participates in β ladder)trans-95.2115.6172.3-173.70000108.1L27 A112 W115 V116 L119 I129 A130 L131 A132L27-V99 CarbonylContact O-C 3.58Å; L27-V99 WeakPolarHBondContact O-CA 3.39Å; V99-A112 HydrophobicContact CG1-CB 3.6Å; V99-W115 HydrophobicContact CG1-CB 3.84Å; V99-W115 HydrophobicContact CG2-CB 4.34Å; V99-V116 HydrophobicContact CB-CG2 4.35Å; V99-V116 HydrophobicContact CG1-CG2 4.41Å; V99-V116 HydrophobicContact CG2-CG2 4.04Å; V99-L119 HydrophobicContact CG2-CD1 3.73Å; V99-I129 HydrophobicContact CG2-CG2 4.15Å; V99-A130 PolarHBondContact N-O 3.45Å; V99-L131 HydrophobicContact CB-CD1 4.33Å; V99-L131 HydrophobicContact CG1-CD1 4.39Å; V99-L131 CarbonylContact O-C 3.54Å; V99-L131 WeakPolarHBondContact O-CA 3.46Å; V99-A132 PolarHBondContact O-N 2.96Å
100V98.5Very high96.8Very high0 Ų032.2 Ų32.20%017%0.17CC..EExtended strand (participates in β ladder)trans-104.6134.9-174.7-170.10000110.3L26 L27 G28 V32 K34 I98 A132 N134L26-V100 HydrophobicContact CD2-CG2 4.32Å; L27-V100 PolarHBondContact O-N 3.43Å; G28-V100 WeakPolarHBondContact CA-O 3.41Å; V32-V100 HydrophobicContact CB-CG1 4.31Å; V32-V100 HydrophobicContact CG2-CB 3.93Å; V32-V100 HydrophobicContact CG2-CG1 3.87Å; K34-V100 HydrophobicContact CG-CB 3.94Å; K34-V100 HydrophobicContact CG-CG2 3.93Å; I98-V100 HydrophobicContact CG2-CG2 3.83Å; V100-A132 WeakPolarHBondContact CA-O 3.45Å; V100-A132 HydrophobicContact CG1-CB 4.49Å; V100-A132 HydrophobicContact CG2-CB 4.27Å; V100-N134 HydrophobicContact CG1-CB 3.74Å
101F98.6Very high97Very high1 Ų137.8 Ų37.80%0.00419%0.191CC..EExtended strand (participates in β ladder)trans-129.5167.2167.272.7-85.2000110.6I103 F109 A112 L131 A132 G133 N134 V144 A149 F160F101-I103 HydrophobicContact CE2-CG2 4.06Å; F101-F109 HydrophobicContact CB-CB 4.44Å; F101-F109 AromaticContact CD1-CD2 3.92Å; F101-F109 HydrophobicContact CD1-CD2 3.92Å; F101-F109 HydrophobicContact CD2-CB 3.81Å; F101-F109 HydrophobicContact CD2-CD2 4.05Å; F101-F109 HydrophobicContact CD2-CG 4.24Å; F101-F109 AromaticContact CE1-CD2 3.91Å; F101-F109 HydrophobicContact CE1-CD2 3.91Å; F101-F109 HydrophobicContact CE1-CE2 4.21Å; F101-F109 HydrophobicContact CE2-CB 4.27Å; F101-F109 HydrophobicContact CE2-CD2 4.06Å; F101-F109 HydrophobicContact CE2-CG 4.31Å; F101-F109 HydrophobicContact CG-CB 4.17Å; F101-F109 AromaticContact CG-CD2 3.98Å; F101-F109 HydrophobicContact CG-CD2 3.98Å; F101-F109 AromaticContact CZ-CD2 3.98Å; F101-F109 HydrophobicContact CZ-CD2 3.98Å; F101-F109 HydrophobicContact CZ-CE2 4.33Å; F101-A112 HydrophobicContact CB-CB 3.97Å; F101-A112 HydrophobicContact CD1-CB 4.49Å; F101-L131 HydrophobicContact CD1-CD1 3.76Å; F101-L131 HydrophobicContact CD1-CG 4.16Å; F101-L131 HydrophobicContact CE1-CD1 3.96Å; F101-L131 HydrophobicContact CE1-CD2 4.09Å; F101-L131 HydrophobicContact CE1-CG 3.84Å; F101-A132 WeakPolarHBondContact CD1-O 3.37Å; F101-A132 PolarHBondContact N-O 3.16Å; F101-G133 VanDerWaalsContact CE1-CA 3.44Å; F101-G133 VanDerWaalsContact CZ-CA 3.45Å; F101-N134 WeakPolarHBondContact O-CB 3.35Å; F101-N134 PolarHBondContact O-N 3.34Å; F101-V144 HydrophobicContact CD2-CG2 4.46Å; F101-V144 HydrophobicContact CE2-CB 4.05Å; F101-V144 HydrophobicContact CE2-CG1 3.82Å; F101-V144 HydrophobicContact CE2-CG2 4.22Å; F101-V144 HydrophobicContact CZ-CG1 4.32Å; F101-A149 HydrophobicContact CZ-CB 3.94Å; F101-F160 AromaticContact CE1-CE2 3.98Å; F101-F160 HydrophobicContact CE1-CE2 3.98Å; F101-F160 HydrophobicContact CZ-CE2 4.09Å
102D98.1Very high97.2Very high11 Ų1137.6 Ų37.66%0.05919%0.191CC..EExtended strand (participates in β ladder)trans-99.9122.1176.3-178.3-14.8000109.5V32 T104 N105 T108 K135V32-D102 HydrophobicContact CG1-CB 4.44Å; D102-T104 PolarHBondContact O-N 2.86Å; D102-T104 VanDerWaalsContact O-N 3.08Å; D102-T104 WeakPolarHBondContact OD1-CB 3.47Å; D102-T104 PolarHBondContact OD1-N 2.9Å; D102-T104 PolarHBondContact OD1-OG1 3.11Å; D102-T104 PolarHBondContact OD2-OG1 3.24Å; D102-N105 HydrophobicContact CB-CB 4.38Å; D102-N105 PolarHBondContact O-N 3.03Å; D102-T108 HydrophobicContact CB-CG2 4.34Å; D102-T108 PolarHBondContact N-OG1 3.01Å; D102-T108 PolarHBondContact O-OG1 3.09Å; D102-K135 VanDerWaalsContact OD2-CD 3.29Å; D102-K135 WeakPolarHBondContact OD2-CD 3.49Å; D102-K135 WeakPolarHBondContact OD2-CE 3.45Å; D102-K135 IonicContact OD2-NZ 3.82Å; D102-K135 PolarHBondContact OD2-NZ 3.45Å
103I98.3Very high97.4Very high0 Ų030.3 Ų30.30%016%0.164CC..THydrogen-bonded Turntrans-63.4-17.1-179.165.5153.4000113.3F101 N134 A143 V144F101-I103 HydrophobicContact CE2-CG2 4.06Å; I103-N134 PolarHBondContact N-O 3.48Å; I103-N134 VanDerWaalsContact N-O 3.08Å; I103-A143 PolarHBondContact O-N 2.99Å; I103-V144 PolarHBondContact O-N 2.81Å
104T97.8Very high97.6Very high38 Ų3831.8 Ų31.823%0.23316%0.162CC..THydrogen-bonded Turntrans-88.3-3178.4710000113D102 L138 K141 A143D102-T104 PolarHBondContact O-N 2.86Å; D102-T104 VanDerWaalsContact O-N 3.08Å; D102-T104 WeakPolarHBondContact OD1-CB 3.47Å; D102-T104 PolarHBondContact OD1-N 2.9Å; D102-T104 PolarHBondContact OD1-OG1 3.11Å; D102-T104 PolarHBondContact OD2-OG1 3.24Å; T104-L138 HydrophobicContact CG2-CB 3.65Å; T104-L138 HydrophobicContact CG2-CD1 4.21Å; T104-K141 WeakPolarHBondContact CA-O 3.33Å; T104-K141 WeakPolarHBondContact CB-O 3.37Å; T104-K141 HydrophobicContact CG2-CB 4.06Å; T104-A143 WeakPolarHBondContact O-CB 2.87Å
105N97.1Very high97.6Very high61 Ų6133 Ų3333%0.32617%0.167SC..  trans-140.2108.8-176.9-173.6-21.9000112.9D102 D107 T108D102-N105 HydrophobicContact CB-CB 4.38Å; D102-N105 PolarHBondContact O-N 3.03Å; N105-D107 VanDerWaalsContact C-N 3.31Å; N105-D107 PolarHBondContact O-N 2.89Å; N105-D107 WeakPolarHBondContact OD1-CB 3.27Å; N105-D107 PolarHBondContact OD1-N 2.88Å; N105-T108 HydrophobicContact CB-CG2 3.87Å; N105-T108 PolarHBondContact O-N 3.35Å; N105-T108 PolarHBondContact O-OG1 3Å
106T97Very high97.6Very high60 Ų6030.9 Ų30.937%0.36816%0.157SC..Hα-helixtrans-63.1-29.6-179.9-44.90000114.1T108 F109 T110 A143T106-T108 VanDerWaalsContact C-N 3.3Å; T106-T108 PolarHBondContact O-N 2.81Å; T106-F109 PolarHBondContact O-N 3.08Å; T106-T110 PolarHBondContact O-N 2.78Å; T106-T110 PolarHBondContact O-OG1 3.27Å; T106-A143 PolarHBondContact OG1-O 2.87Å; T106-A143 VanDerWaalsContact OG1-O 3.13Å
107D97.3Very high97.5Very high115 Ų11535.5 Ų35.562%0.61518%0.177SC*.Hα-helixtrans-65.1-38.7177.4-67.9-29.9000110.8N105 F109 T110 R111N105-D107 VanDerWaalsContact C-N 3.31Å; N105-D107 PolarHBondContact O-N 2.89Å; N105-D107 WeakPolarHBondContact OD1-CB 3.27Å; N105-D107 PolarHBondContact OD1-N 2.88Å; D107-F109 VanDerWaalsContact C-N 3.27Å; D107-F109 PolarHBondContact O-N 2.97Å; D107-T110 WeakPolarHBondContact O-CB 3.33Å; D107-T110 PolarHBondContact O-N 3.25Å; D107-R111 WeakPolarHBondContact O-CG 3.49Å; D107-R111 PolarHBondContact O-N 2.85Å
108T97.8Very high97.4Very high3 Ų337 Ų372%0.01818%0.184CC..Hα-helixtrans-65.1-34.817872.90000111.6E29 V32 D102 N105 T106 R111 A112E29-T108 HydrophobicContact CB-CG2 4.34Å; V32-T108 HydrophobicContact CG1-CG2 3.79Å; D102-T108 HydrophobicContact CB-CG2 4.34Å; D102-T108 PolarHBondContact N-OG1 3.01Å; D102-T108 PolarHBondContact O-OG1 3.09Å; N105-T108 HydrophobicContact CB-CG2 3.87Å; N105-T108 PolarHBondContact O-N 3.35Å; N105-T108 PolarHBondContact O-OG1 3Å; T106-T108 VanDerWaalsContact C-N 3.3Å; T106-T108 PolarHBondContact O-N 2.81Å; T108-R111 PolarHBondContact O-N 3.25Å; T108-A112 WeakPolarHBondContact O-CB 3.28Å; T108-A112 PolarHBondContact O-N 2.58Å
109F98.3Very high97.3Very high0 Ų037.1 Ų37.10%018%0.184CC..Hα-helixtrans-68.4-42174.2-178.3-135.5000111.6F101 T106 D107 R111 A112 K113 L131 V144 E148 A149 Y152F101-F109 HydrophobicContact CB-CB 4.44Å; F101-F109 AromaticContact CD1-CD2 3.92Å; F101-F109 HydrophobicContact CD1-CD2 3.92Å; F101-F109 HydrophobicContact CD2-CB 3.81Å; F101-F109 HydrophobicContact CD2-CD2 4.05Å; F101-F109 HydrophobicContact CD2-CG 4.24Å; F101-F109 AromaticContact CE1-CD2 3.91Å; F101-F109 HydrophobicContact CE1-CD2 3.91Å; F101-F109 HydrophobicContact CE1-CE2 4.21Å; F101-F109 HydrophobicContact CE2-CB 4.27Å; F101-F109 HydrophobicContact CE2-CD2 4.06Å; F101-F109 HydrophobicContact CE2-CG 4.31Å; F101-F109 HydrophobicContact CG-CB 4.17Å; F101-F109 AromaticContact CG-CD2 3.98Å; F101-F109 HydrophobicContact CG-CD2 3.98Å; F101-F109 AromaticContact CZ-CD2 3.98Å; F101-F109 HydrophobicContact CZ-CD2 3.98Å; F101-F109 HydrophobicContact CZ-CE2 4.33Å; T106-F109 PolarHBondContact O-N 3.08Å; D107-F109 VanDerWaalsContact C-N 3.27Å; D107-F109 PolarHBondContact O-N 2.97Å; F109-R111 VanDerWaalsContact C-N 3.3Å; F109-R111 PolarHBondContact O-N 3.08Å; F109-A112 WeakPolarHBondContact O-CB 3.4Å; F109-A112 PolarHBondContact O-N 3.18Å; F109-A112 VanDerWaalsContact O-N 3.12Å; F109-K113 HydrophobicContact CE1-CD 4.49Å; F109-K113 HydrophobicContact CE2-CG 4.35Å; F109-K113 HydrophobicContact CZ-CD 4.43Å; F109-K113 WeakPolarHBondContact O-CG 3.3Å; F109-K113 PolarHBondContact O-N 3.19Å; F109-L131 HydrophobicContact CE2-CD2 4.07Å; F109-V144 HydrophobicContact CB-CG1 4.34Å; F109-V144 HydrophobicContact CB-CG2 3.82Å; F109-V144 HydrophobicContact CD1-CG1 3.6Å; F109-V144 HydrophobicContact CD1-CG2 4.32Å; F109-V144 HydrophobicContact CE1-CG1 3.92Å; F109-V144 HydrophobicContact CG-CG1 3.94Å; F109-V144 HydrophobicContact CG-CG2 4.32Å; F109-E148 HydrophobicContact CE1-CG 4.28Å; F109-E148 WeakPolarHBondContact CE1-OE1 3.43Å; F109-A149 HydrophobicContact CE2-CB 4.25Å; F109-A149 HydrophobicContact CZ-CB 4.06Å; F109-Y152 HydrophobicContact CE2-CD1 4.22Å; F109-Y152 HydrophobicContact CZ-CD1 4.26Å; F109-Y152 HydrophobicContact CZ-CG 4.3Å
110T97.6Very high97.1Very high68 Ų6841.6 Ų41.642%0.41721%0.205SC..Hα-helixtrans-59.3-42.2173.6-59.60000111.6T106 D107 K113 N114T106-T110 PolarHBondContact O-N 2.78Å; T106-T110 PolarHBondContact O-OG1 3.27Å; D107-T110 WeakPolarHBondContact O-CB 3.33Å; D107-T110 PolarHBondContact O-N 3.25Å; T110-K113 PolarHBondContact O-N 3.42Å; T110-N114 PolarHBondContact O-N 3.05Å
111R96.6Very high96.8Very high144 Ų14451.4 Ų51.454%0.54324%0.242SC..Hα-helixtrans-66.2-37.6174.5-64.7-63.5-178.1171.40.7112.3E29 D107 T108 F109 N114 W115E29-R111 HydrophobicContact CB-CB 4.5Å; D107-R111 WeakPolarHBondContact O-CG 3.49Å; D107-R111 PolarHBondContact O-N 2.85Å; T108-R111 PolarHBondContact O-N 3.25Å; F109-R111 VanDerWaalsContact C-N 3.3Å; F109-R111 PolarHBondContact O-N 3.08Å; R111-N114 WeakPolarHBondContact O-CB 3.35Å; R111-N114 PolarHBondContact O-N 3.05Å; R111-N114 VanDerWaalsContact O-N 3.17Å; R111-W115 VanDerWaalsContact O-CD1 3.3Å; R111-W115 PolarHBondContact O-N 2.78Å; R111-W115 VanDerWaalsContact O-N 3.09Å
112A97.4Very high96.5Very high0 Ų057.1 Ų57.10%027%0.269CS..Hα-helixtrans-61.1-42.1173.500000112.3V99 F101 T108 F109 N114 W115 V116 L131V99-A112 HydrophobicContact CG1-CB 3.6Å; F101-A112 HydrophobicContact CB-CB 3.97Å; F101-A112 HydrophobicContact CD1-CB 4.49Å; T108-A112 WeakPolarHBondContact O-CB 3.28Å; T108-A112 PolarHBondContact O-N 2.58Å; F109-A112 WeakPolarHBondContact O-CB 3.4Å; F109-A112 PolarHBondContact O-N 3.18Å; F109-A112 VanDerWaalsContact O-N 3.12Å; A112-N114 PolarHBondContact O-N 3.36Å; A112-W115 WeakPolarHBondContact O-CB 3.32Å; A112-W115 PolarHBondContact O-N 3.06Å; A112-W115 VanDerWaalsContact O-N 3.11Å; A112-V116 WeakPolarHBondContact O-CG2 3.27Å; A112-V116 PolarHBondContact O-N 3.01Å; A112-L131 HydrophobicContact CB-CD1 4.15Å
113K97.7Very high96.2Very high46 Ų4657.4 Ų57.420%0.227%0.273CS..Hα-helixtrans-57.5-36.4174-63.7-179.8-177.6172.40112F109 T110 K117 E148 Y152F109-K113 HydrophobicContact CE1-CD 4.49Å; F109-K113 HydrophobicContact CE2-CG 4.35Å; F109-K113 HydrophobicContact CZ-CD 4.43Å; F109-K113 WeakPolarHBondContact O-CG 3.3Å; F109-K113 PolarHBondContact O-N 3.19Å; T110-K113 PolarHBondContact O-N 3.42Å; K113-K117 WeakPolarHBondContact O-CG 3.19Å; K113-K117 PolarHBondContact O-N 2.89Å; K113-E148 IonicContact NZ-OE1 3.11Å; K113-E148 PolarHBondContact NZ-OE1 2.81Å; K113-E148 VanDerWaalsContact NZ-OE1 3.11Å; K113-Y152 WeakPolarHBondContact CA-OH 3.24Å; K113-Y152 HydrophobicContact CB-CE1 4.42Å; K113-Y152 HydrophobicContact CB-CE2 4.28Å; K113-Y152 HydrophobicContact CD-CD2 4.16Å; K113-Y152 HydrophobicContact CD-CE2 4.04Å; K113-Y152 HydrophobicContact CG-CD1 4.24Å; K113-Y152 HydrophobicContact CG-CD2 4.25Å; K113-Y152 HydrophobicContact CG-CE1 3.79Å; K113-Y152 HydrophobicContact CG-CE2 3.82Å; K113-Y152 HydrophobicContact CG-CG 4.45Å; K113-Y152 PolarHBondContact O-OH 3.32Å
114N96.4Very high95.7Very high75 Ų7559.7 Ų59.740%0.40129%0.289SS..Hα-helixtrans-69.1-42.2176.1-65.2-21.5000112.1T110 R111 A112 V116 K117 E118T110-N114 PolarHBondContact O-N 3.05Å; R111-N114 WeakPolarHBondContact O-CB 3.35Å; R111-N114 PolarHBondContact O-N 3.05Å; R111-N114 VanDerWaalsContact O-N 3.17Å; A112-N114 PolarHBondContact O-N 3.36Å; N114-V116 VanDerWaalsContact C-N 3.34Å; N114-V116 PolarHBondContact O-N 2.78Å; N114-K117 PolarHBondContact O-N 2.86Å; N114-E118 WeakPolarHBondContact O-CB 3.38Å; N114-E118 PolarHBondContact O-N 3.42Å
115W96.3Very high95Very high27 Ų2764.2 Ų64.210%0.10232%0.319CS..Hα-helixtrans-60.4-41.9174.4-78.6119000112.7L27 H84 A87 V99 R111 A112 K117 E118 L119L27-W115 HydrophobicContact CB-CD2 4.15Å; L27-W115 HydrophobicContact CB-CE3 4.39Å; L27-W115 HydrophobicContact CB-CG 4.27Å; L27-W115 HydrophobicContact CD1-CD2 4.49Å; L27-W115 HydrophobicContact CD1-CE3 3.94Å; L27-W115 HydrophobicContact CD1-CZ3 4.35Å; L27-W115 HydrophobicContact CD2-CE3 4.38Å; L27-W115 HydrophobicContact CD2-CH2 4.34Å; L27-W115 HydrophobicContact CD2-CZ3 4.19Å; L27-W115 HydrophobicContact CG-CE3 4.48Å; H84-W115 AromaticContact CE1-CH2 3.44Å; H84-W115 VanDerWaalsContact CE1-CH2 3.44Å; H84-W115 WeakPolarHBondContact CE1-CH2 3.16Å; H84-W115 AromaticContact CE1-CZ2 3.92Å; H84-W115 AromaticContact CE1-CZ3 3.76Å; H84-W115 AromaticContact ND1-CH2 3Å; H84-W115 WeakPolarHBondContact ND1-CH2 3.46Å; H84-W115 AromaticContact ND1-CZ2 3.31Å; H84-W115 VanDerWaalsContact ND1-CZ2 3.31Å; H84-W115 WeakPolarHBondContact ND1-CZ2 3.5Å; H84-W115 AromaticContact ND1-CZ3 3.8Å; A87-W115 HydrophobicContact CB-CH2 3.34Å; A87-W115 HydrophobicContact CB-CZ3 3.47Å; A87-W115 VanDerWaalsContact CB-CZ3 3.47Å; V99-W115 HydrophobicContact CG1-CB 3.84Å; V99-W115 HydrophobicContact CG2-CB 4.34Å; R111-W115 VanDerWaalsContact O-CD1 3.3Å; R111-W115 PolarHBondContact O-N 2.78Å; R111-W115 VanDerWaalsContact O-N 3.09Å; A112-W115 WeakPolarHBondContact O-CB 3.32Å; A112-W115 PolarHBondContact O-N 3.06Å; A112-W115 VanDerWaalsContact O-N 3.11Å; W115-K117 PolarHBondContact O-N 2.83Å; W115-E118 PolarHBondContact O-N 2.72Å; W115-L119 WeakPolarHBondContact O-CG 3.36Å; W115-L119 PolarHBondContact O-N 3.48Å
116V96.9Very high94.6Very high0 Ų068.2 Ų68.20%034%0.34CS..Hα-helixtrans-59-48.7175.2171.20000110.7V99 A112 N114 E118 L119 Q120 I129 Y152 L158V99-V116 HydrophobicContact CB-CG2 4.35Å; V99-V116 HydrophobicContact CG1-CG2 4.41Å; V99-V116 HydrophobicContact CG2-CG2 4.04Å; A112-V116 WeakPolarHBondContact O-CG2 3.27Å; A112-V116 PolarHBondContact O-N 3.01Å; N114-V116 VanDerWaalsContact C-N 3.34Å; N114-V116 PolarHBondContact O-N 2.78Å; V116-E118 VanDerWaalsContact C-N 3.28Å; V116-E118 PolarHBondContact O-N 2.85Å; V116-L119 PolarHBondContact O-N 3.35Å; V116-Q120 HydrophobicContact CG1-CG 4.46Å; V116-Q120 WeakPolarHBondContact O-CG 3.17Å; V116-Q120 PolarHBondContact O-N 2.83Å; V116-I129 HydrophobicContact CG2-CG2 4.48Å; V116-Y152 HydrophobicContact CG2-CE1 4.41Å; V116-L158 HydrophobicContact CG1-CD1 3.87Å; V116-L158 HydrophobicContact CG1-CD2 3.92Å; V116-L158 HydrophobicContact CG2-CD1 3.87Å
117K96Very high94.5Very high97 Ų9766.4 Ų66.442%0.42233%0.328SS..Hα-helixtrans-60.7-38.2177.5-70.9172.2-177.1176.40112.2K113 N114 W115 R121K113-K117 WeakPolarHBondContact O-CG 3.19Å; K113-K117 PolarHBondContact O-N 2.89Å; N114-K117 PolarHBondContact O-N 2.86Å; W115-K117 PolarHBondContact O-N 2.83Å; K117-R121 WeakPolarHBondContact O-CB 3.27Å; K117-R121 WeakPolarHBondContact O-CD 3.42Å; K117-R121 VanDerWaalsContact O-CG 3.23Å; K117-R121 WeakPolarHBondContact O-CG 3.22Å; K117-R121 PolarHBondContact O-N 2.87Å
118E94.9Very high94.4Very high32 Ų3261.6 Ų61.615%0.1530%0.302CS..Hα-helixtrans-66.7-47.1177.7-173.8173.3154.100111.8H84 Y91 N114 W115 V116 Q120 R121 Q122H84-E118 IonicContact CE1-OE2 3.34Å; H84-E118 PolarHBondContact CE1-OE2 2.98Å; H84-E118 IonicContact NE2-OE2 3.85Å; Y91-E118 PolarHBondContact OH-OE1 3.01Å; N114-E118 WeakPolarHBondContact O-CB 3.38Å; N114-E118 PolarHBondContact O-N 3.42Å; W115-E118 PolarHBondContact O-N 2.72Å; V116-E118 VanDerWaalsContact C-N 3.28Å; V116-E118 PolarHBondContact O-N 2.85Å; E118-Q120 PolarHBondContact O-N 2.9Å; E118-R121 PolarHBondContact O-N 3.31Å; E118-R121 VanDerWaalsContact O-N 3.12Å; E118-Q122 PolarHBondContact O-N 2.57Å
119L95.6Very high94.4Very high1 Ų162.1 Ų62.11%0.00531%0.305CS..Hα-helixtrans-58.3-46.5175.1-74172.7000111.5L27 Y91 A97 V99 W115 V116 R121 Q122 A123 I127 I129L27-L119 HydrophobicContact CD1-CD1 4.02Å; L27-L119 HydrophobicContact CD1-CD2 3.72Å; L27-L119 HydrophobicContact CD1-CG 3.97Å; Y91-L119 HydrophobicContact CD1-CD2 4.11Å; Y91-L119 HydrophobicContact CD2-CD2 4.34Å; Y91-L119 HydrophobicContact CG-CD2 3.87Å; A97-L119 HydrophobicContact CB-CD1 3.59Å; A97-L119 HydrophobicContact CB-CD2 4.28Å; V99-L119 HydrophobicContact CG2-CD1 3.73Å; W115-L119 WeakPolarHBondContact O-CG 3.36Å; W115-L119 PolarHBondContact O-N 3.48Å; V116-L119 PolarHBondContact O-N 3.35Å; L119-R121 PolarHBondContact O-N 3.5Å; L119-Q122 PolarHBondContact O-N 3.32Å; L119-A123 HydrophobicContact CB-CB 4.39Å; L119-A123 HydrophobicContact CD2-CB 3.98Å; L119-A123 WeakPolarHBondContact O-CA 3.2Å; L119-A123 WeakPolarHBondContact O-CB 3.28Å; L119-A123 PolarHBondContact O-N 3.36Å; L119-I127 HydrophobicContact CD2-CD1 4.28Å; L119-I129 HydrophobicContact CB-CD1 3.82Å; L119-I129 HydrophobicContact CD1-CD1 4.21Å; L119-I129 HydrophobicContact CD1-CG1 4.38Å; L119-I129 HydrophobicContact CD1-CG2 4.22Å
120Q94.1Very high94.5Very high94 Ų9462.1 Ų62.144%0.43931%0.305SS..Hα-helixtrans-61.7-28.7178.2-73.5172.2-21.300113V116 E118 I129V116-Q120 HydrophobicContact CG1-CG 4.46Å; V116-Q120 WeakPolarHBondContact O-CG 3.17Å; V116-Q120 PolarHBondContact O-N 2.83Å; E118-Q120 PolarHBondContact O-N 2.9Å; Q120-I129 HydrophobicContact CG-CD1 4.06Å
121R93.3Very high94.5Very high207 Ų20758.9 Ų58.978%0.78129%0.285SS*.Hα-helixtrans-86.7-37.4-180-73.5172.9-176.6-176.40.1113.7K117 E118 L119K117-R121 WeakPolarHBondContact O-CB 3.27Å; K117-R121 WeakPolarHBondContact O-CD 3.42Å; K117-R121 VanDerWaalsContact O-CG 3.23Å; K117-R121 WeakPolarHBondContact O-CG 3.22Å; K117-R121 PolarHBondContact O-N 2.87Å; E118-R121 PolarHBondContact O-N 3.31Å; E118-R121 VanDerWaalsContact O-N 3.12Å; L119-R121 PolarHBondContact O-N 3.5Å
122Q91.9Very high94.6Very high120 Ų12052 Ų5256%0.56126%0.259SS*.Hα-helixtrans-119.5-20.4-165.4-58.7-168.625.600114.6Y91 E118 L119Y91-Q122 HydrophobicContact CE2-CB 3.98Å; Y91-Q122 PolarHBondContact OH-OE1 2.98Å; E118-Q122 PolarHBondContact O-N 2.57Å; L119-Q122 PolarHBondContact O-N 3.32Å
123A91.7Very high94.6Very high17 Ų1752 Ų5214%0.1426%0.259CS..SBendtrans-81.7-177.7178.900000111.3Y91 L119 I127Y91-A123 HydrophobicContact CD2-CB 4Å; Y91-A123 HydrophobicContact CE2-CB 4.45Å; L119-A123 HydrophobicContact CB-CB 4.39Å; L119-A123 HydrophobicContact CD2-CB 3.98Å; L119-A123 WeakPolarHBondContact O-CA 3.2Å; L119-A123 WeakPolarHBondContact O-CB 3.28Å; L119-A123 PolarHBondContact O-N 3.36Å; A123-I127 HydrophobicContact CB-CD1 3.91Å; A123-I127 HydrophobicContact CB-CG2 4.15Å
124S87.6Confident94.7Very high48 Ų4850 Ų5034%0.33625%0.251SS..  trans-63.4138.8178.8-64.70000111.2N126 I127S124-N126 PolarHBondContact O-N 3.38Å; S124-I127 WeakPolarHBondContact O-CB 3.42Å; S124-I127 VanDerWaalsContact O-CG2 3.24Å; S124-I127 WeakPolarHBondContact O-CG2 3.42Å; S124-I127 PolarHBondContact O-N 2.85Å
125P83.8Confident94.7Very high133 Ų13349 Ų4986%0.86424%0.243SC*.THydrogen-bonded Turntrans-57.2-23-175.2-27.334.1000115.5
126N88.1Confident94.8Very high146 Ų14648.2 Ų48.278%0.78124%0.243SC*.THydrogen-bonded Turntrans-109.721.6-178.1-60.9-38.1000112.8S124 V128S124-N126 PolarHBondContact O-N 3.38Å; N126-V128 PolarHBondContact O-N 3.5Å
127I94.8Very high94.8Very high22 Ų2251 Ų5111%0.11326%0.257CS..  trans-65.3130178.6-169.3170.3000110.5A94 A97 L119 A123 S124 I129A94-I127 HydrophobicContact CB-CD1 4.35Å; A97-I127 HydrophobicContact CB-CD1 3.88Å; L119-I127 HydrophobicContact CD2-CD1 4.28Å; A123-I127 HydrophobicContact CB-CD1 3.91Å; A123-I127 HydrophobicContact CB-CG2 4.15Å; S124-I127 WeakPolarHBondContact O-CB 3.42Å; S124-I127 VanDerWaalsContact O-CG2 3.24Å; S124-I127 WeakPolarHBondContact O-CG2 3.42Å; S124-I127 PolarHBondContact O-N 2.85Å; I127-I129 HydrophobicContact CG2-CD1 4.08Å; I127-I129 HydrophobicContact CG2-CG1 3.88Å; I127-I129 PolarHBondContact O-N 3.18Å
128V96.8Very high94.8Very high13 Ų1349.1 Ų49.18%0.07925%0.252CS..EExtended strand (participates in β ladder)trans-80.9113.6171.6177.40000108.5Q95 A96 A97 N126 L159 I178 K181 L182Q95-V128 PolarHBondContact O-N 2.81Å; A96-V128 CarbonylContact C-O 3.55Å; A96-V128 WeakPolarHBondContact CA-O 3.48Å; A96-V128 HydrophobicContact CB-CB 4.43Å; A97-V128 PolarHBondContact N-O 3.21Å; N126-V128 PolarHBondContact O-N 3.5Å; V128-L159 HydrophobicContact CG1-CD1 3.93Å; V128-I178 HydrophobicContact CG1-CG1 4.49Å; V128-I178 HydrophobicContact CG1-CG2 4.38Å; V128-K181 HydrophobicContact CG1-CB 4.19Å; V128-K181 HydrophobicContact CG1-CD 4Å; V128-K181 HydrophobicContact CG1-CG 4.22Å; V128-K181 HydrophobicContact CG2-CB 4.33Å; V128-K181 HydrophobicContact CG2-CG 4.1Å; V128-L182 HydrophobicContact CB-CD2 4.41Å; V128-L182 HydrophobicContact CG2-CD2 3.95Å; V128-L182 HydrophobicContact CG2-CG 4.4Å
129I97.8Very high94.8Very high14 Ų1450 Ų507%0.07226%0.264CS..EExtended strand (participates in β ladder)trans-102128.5178.2-51.1177.1000109.3A97 V99 V116 L119 Q120 I127 L158 L159A97-I129 WeakPolarHBondContact O-CA 3.22Å; V99-I129 HydrophobicContact CG2-CG2 4.15Å; V116-I129 HydrophobicContact CG2-CG2 4.48Å; L119-I129 HydrophobicContact CB-CD1 3.82Å; L119-I129 HydrophobicContact CD1-CD1 4.21Å; L119-I129 HydrophobicContact CD1-CG1 4.38Å; L119-I129 HydrophobicContact CD1-CG2 4.22Å; Q120-I129 HydrophobicContact CG-CD1 4.06Å; I127-I129 HydrophobicContact CG2-CD1 4.08Å; I127-I129 HydrophobicContact CG2-CG1 3.88Å; I127-I129 PolarHBondContact O-N 3.18Å; I129-L158 HydrophobicContact CB-CD2 3.81Å; I129-L158 HydrophobicContact CD1-CD2 4.42Å; I129-L158 HydrophobicContact CG2-CD2 3.87Å; I129-L159 PolarHBondContact O-N 3.44Å
130A98.4Very high94.8Very high0 Ų055.5 Ų55.50%030%0.303CS..EExtended strand (participates in β ladder)trans-115.2134.2169.800000110.2A97 I98 V99 L159 I174 I178A97-A130 PolarHBondContact O-N 3.17Å; I98-A130 CarbonylContact C-O 3.58Å; I98-A130 WeakPolarHBondContact CA-O 3.34Å; I98-A130 HydrophobicContact CG1-CB 4.42Å; V99-A130 PolarHBondContact N-O 3.45Å; A130-L159 CarbonylContact C-O 3.54Å; A130-L159 VanDerWaalsContact CA-O 3.3Å; A130-L159 WeakPolarHBondContact CA-O 3.43Å; A130-L159 HydrophobicContact CB-CB 3.89Å; A130-I174 HydrophobicContact CB-CD1 4.11Å; A130-I174 HydrophobicContact CB-CG1 4.14Å; A130-I178 HydrophobicContact CB-CD1 3.77Å; A130-I178 HydrophobicContact CB-CG1 4Å
131L98.6Very high94.9Very high0 Ų058.1 Ų58.10%031%0.313CS..EExtended strand (participates in β ladder)trans-98.3126.2171.7-178.269.6000108.6V99 F101 F109 A112 Y152 A153 L158 L159 F160 M161V99-L131 HydrophobicContact CB-CD1 4.33Å; V99-L131 HydrophobicContact CG1-CD1 4.39Å; V99-L131 CarbonylContact O-C 3.54Å; V99-L131 WeakPolarHBondContact O-CA 3.46Å; F101-L131 HydrophobicContact CD1-CD1 3.76Å; F101-L131 HydrophobicContact CD1-CG 4.16Å; F101-L131 HydrophobicContact CE1-CD1 3.96Å; F101-L131 HydrophobicContact CE1-CD2 4.09Å; F101-L131 HydrophobicContact CE1-CG 3.84Å; F109-L131 HydrophobicContact CE2-CD2 4.07Å; A112-L131 HydrophobicContact CB-CD1 4.15Å; L131-Y152 HydrophobicContact CD2-CD1 4.02Å; L131-Y152 HydrophobicContact CD2-CE1 4.48Å; L131-A153 HydrophobicContact CD2-CB 4.39Å; L131-L158 HydrophobicContact CB-CD1 4.25Å; L131-L159 PolarHBondContact N-O 3.28Å; L131-F160 HydrophobicContact CB-CD2 4.03Å; L131-F160 HydrophobicContact CD2-CD2 3.79Å; L131-F160 HydrophobicContact CD2-CE2 4.22Å; L131-F160 HydrophobicContact CG-CD2 3.87Å; L131-F160 HydrophobicContact CG-CE2 4.35Å; L131-F160 WeakPolarHBondContact O-CA 3.05Å; L131-F160 WeakPolarHBondContact O-CD2 3.41Å; L131-M161 PolarHBondContact O-N 2.77Å
132A98.6Very high95.1Very high0 Ų052 Ų520%029%0.29CS..EExtended strand (participates in β ladder)trans-117.7112.9-179.100000110.6I98 V99 V100 F101 N134 M161 T163 I174I98-A132 HydrophobicContact CG2-CB 3.85Å; V99-A132 PolarHBondContact O-N 2.96Å; V100-A132 WeakPolarHBondContact CA-O 3.45Å; V100-A132 HydrophobicContact CG1-CB 4.49Å; V100-A132 HydrophobicContact CG2-CB 4.27Å; F101-A132 WeakPolarHBondContact CD1-O 3.37Å; F101-A132 PolarHBondContact N-O 3.16Å; A132-N134 PolarHBondContact O-N 3.28Å; A132-M161 WeakPolarHBondContact CA-O 3.42Å; A132-T163 HydrophobicContact CB-CG2 4.43Å; A132-I174 HydrophobicContact CB-CD1 3.65Å
133G98.4Very high95.3Very high0 Ų048.7 Ų48.70%028%0.282CS..EExtended strand (participates in β ladder)trans-83.293.2169.100000109.9F101 M161 E162 T163F101-G133 VanDerWaalsContact CE1-CA 3.44Å; F101-G133 VanDerWaalsContact CZ-CA 3.45Å; G133-M161 PolarHBondContact N-O 2.85Å; G133-E162 CarbonylContact O-C 3.6Å; G133-E162 VanDerWaalsContact O-CA 3.22Å; G133-E162 WeakPolarHBondContact O-CA 3.35Å; G133-T163 PolarHBondContact O-N 2.79Å
134N98.3Very high95.5Very high4 Ų447.9 Ų47.92%0.02128%0.276CS..EExtended strand (participates in β ladder)trans-84167.1-175-16930.8000112.3V32 V100 F101 I103 A132 T163 A165V32-N134 PolarHBondContact O-ND2 2.88Å; V100-N134 HydrophobicContact CG1-CB 3.74Å; F101-N134 WeakPolarHBondContact O-CB 3.35Å; F101-N134 PolarHBondContact O-N 3.34Å; I103-N134 PolarHBondContact N-O 3.48Å; I103-N134 VanDerWaalsContact N-O 3.08Å; A132-N134 PolarHBondContact O-N 3.28Å; N134-T163 CarbonylContact C-O 3.57Å; N134-T163 VanDerWaalsContact CA-O 3.27Å; N134-T163 WeakPolarHBondContact CA-O 3.22Å; N134-T163 PolarHBondContact OD1-O 2.94Å; N134-A165 PolarHBondContact OD1-N 3.4Å
135K97.7Very high96Very high53 Ų5349.3 Ų49.323%0.2328%0.28CS..  trans6734.7-177-46-170.2-164.3167.60113.5A31 D102 D137 L138 T163A31-K135 WeakPolarHBondContact O-CE 3.37Å; A31-K135 PolarHBondContact O-NZ 2.86Å; D102-K135 VanDerWaalsContact OD2-CD 3.29Å; D102-K135 WeakPolarHBondContact OD2-CD 3.49Å; D102-K135 WeakPolarHBondContact OD2-CE 3.45Å; D102-K135 IonicContact OD2-NZ 3.82Å; D102-K135 PolarHBondContact OD2-NZ 3.45Å; K135-D137 WeakPolarHBondContact CA-OD1 3.38Å; K135-D137 PolarHBondContact O-N 3.37Å; K135-D137 VanDerWaalsContact O-N 3.08Å; K135-L138 HydrophobicContact CB-CD1 4.29Å; K135-L138 HydrophobicContact CD-CD1 4.37Å; K135-L138 WeakPolarHBondContact O-CB 3.47Å; K135-L138 PolarHBondContact O-N 3.39Å; K135-T163 PolarHBondContact N-O 2.76Å
136A97.4Very high96.6Very high12 Ų1247.1 Ų47.110%0.09926%0.257CS..G310 helixtrans-57.6-21.6175.500000114.1L138 A139 E162 T163 M169A136-L138 PolarHBondContact O-N 2.83Å; A136-A139 WeakPolarHBondContact O-CB 3.18Å; A136-A139 PolarHBondContact O-N 3.34Å; A136-E162 HydrophobicContact CB-CB 4.2Å; A136-T163 WeakPolarHBondContact CB-O 3.46Å; A136-T163 PolarHBondContact N-O 3.21Å; A136-M169 HydrophobicContact CB-CE 3.28Å; A136-M169 HydrophobicContact CB-SD 4.24Å
137D97.4Very high97Very high58 Ų5847.1 Ų47.131%0.3125%0.252SS..G310 helixtrans-61.7-17.8170.455.9-75.5000113.7K135 S164 K166 T167K135-D137 WeakPolarHBondContact CA-OD1 3.38Å; K135-D137 PolarHBondContact O-N 3.37Å; K135-D137 VanDerWaalsContact O-N 3.08Å; D137-S164 WeakPolarHBondContact OD1-CB 3.29Å; D137-S164 PolarHBondContact OD1-OG 3.06Å; D137-K166 WeakPolarHBondContact OD2-CD 3.25Å; D137-T167 HydrophobicContact CB-CG2 3.84Å
138L96.1Very high97.1Very high58 Ų5850.2 Ų50.230%0.30427%0.266SS..G310 helixtrans-101.229.7176.1-57.1-179.9000112.5T104 K135 A136 S140 K141T104-L138 HydrophobicContact CG2-CB 3.65Å; T104-L138 HydrophobicContact CG2-CD1 4.21Å; K135-L138 HydrophobicContact CB-CD1 4.29Å; K135-L138 HydrophobicContact CD-CD1 4.37Å; K135-L138 WeakPolarHBondContact O-CB 3.47Å; K135-L138 PolarHBondContact O-N 3.39Å; A136-L138 PolarHBondContact O-N 2.83Å; L138-S140 PolarHBondContact O-N 2.92Å; L138-K141 PolarHBondContact O-N 3.31Å
139A94.1Very high97.1Very high50 Ų5049.7 Ų49.741%0.41326%0.263SS..G310 helixtrans-53.1-25.6-179.200000114.4A136 K141 R142A136-A139 WeakPolarHBondContact O-CB 3.18Å; A136-A139 PolarHBondContact O-N 3.34Å; A139-K141 PolarHBondContact O-N 2.95Å; A139-R142 WeakPolarHBondContact O-CB 3.38Å; A139-R142 PolarHBondContact O-N 3.06Å
140S95.8Very high97.1Very high116 Ų11651.6 Ų51.681%0.81127%0.272SS*.G310 helixtrans-67.2-19.8174.257.50000114.3L138L138-S140 PolarHBondContact O-N 2.92Å
141K96.1Very high97.1Very high149 Ų14953.8 Ų53.865%0.64829%0.29SS*.G310 helixtrans-109.120.8177-60.3-176.9-179.8-179.30112T104 L138 A139 A143T104-K141 WeakPolarHBondContact CA-O 3.33Å; T104-K141 WeakPolarHBondContact CB-O 3.37Å; T104-K141 HydrophobicContact CG2-CB 4.06Å; L138-K141 PolarHBondContact O-N 3.31Å; A139-K141 PolarHBondContact O-N 2.95Å; K141-A143 PolarHBondContact O-N 2.84Å
142R97.1Very high97.1Very high79 Ų7955.2 Ų55.230%0.29830%0.295SS..  trans-58.4130-178177.1-178.5-69.1-83.83.5110.8A139 V144 E162A139-R142 WeakPolarHBondContact O-CB 3.38Å; A139-R142 PolarHBondContact O-N 3.06Å; R142-V144 VanDerWaalsContact CD-O 3.28Å; R142-V144 WeakPolarHBondContact CD-O 3.08Å; R142-V144 WeakPolarHBondContact CG-O 3.45Å; R142-V144 PolarHBondContact NH1-O 3.04Å; R142-E162 IonicContact CZ-OE1 2.78Å; R142-E162 VanDerWaalsContact CZ-OE1 3.22Å; R142-E162 IonicContact CZ-OE2 3.8Å; R142-E162 IonicContact NH1-OE1 2.68Å; R142-E162 PolarHBondContact NH1-OE1 2.77Å; R142-E162 IonicContact NH1-OE2 2.94Å; R142-E162 IonicContact NH2-OE1 3.22Å; R142-E162 PolarHBondContact NH2-OE1 3.14Å; R142-E162 IonicContact NH2-OE2 2.64Å; R142-E162 PolarHBondContact NH2-OE2 2.9Å
143A97.2Very high97Very high50 Ų5055.2 Ų55.241%0.41330%0.295SS..  trans-115.3-16.1172.700000112.5I103 T104 T106 K141I103-A143 PolarHBondContact O-N 2.99Å; T104-A143 WeakPolarHBondContact O-CB 2.87Å; T106-A143 PolarHBondContact OG1-O 2.87Å; T106-A143 VanDerWaalsContact OG1-O 3.13Å; K141-A143 PolarHBondContact O-N 2.84Å
144V96.8Very high97Very high1 Ų159.7 Ų59.71%0.00632%0.32CS..SBendtrans-113.6121.6176.3-176.50000109.1F101 I103 F109 R142 A149F101-V144 HydrophobicContact CD2-CG2 4.46Å; F101-V144 HydrophobicContact CE2-CB 4.05Å; F101-V144 HydrophobicContact CE2-CG1 3.82Å; F101-V144 HydrophobicContact CE2-CG2 4.22Å; F101-V144 HydrophobicContact CZ-CG1 4.32Å; I103-V144 PolarHBondContact O-N 2.81Å; F109-V144 HydrophobicContact CB-CG1 4.34Å; F109-V144 HydrophobicContact CB-CG2 3.82Å; F109-V144 HydrophobicContact CD1-CG1 3.6Å; F109-V144 HydrophobicContact CD1-CG2 4.32Å; F109-V144 HydrophobicContact CE1-CG1 3.92Å; F109-V144 HydrophobicContact CG-CG1 3.94Å; F109-V144 HydrophobicContact CG-CG2 4.32Å; R142-V144 VanDerWaalsContact CD-O 3.28Å; R142-V144 WeakPolarHBondContact CD-O 3.08Å; R142-V144 WeakPolarHBondContact CG-O 3.45Å; R142-V144 PolarHBondContact NH1-O 3.04Å; V144-A149 HydrophobicContact CG1-CB 4.32Å
145D97Very high96.9Very high78 Ų7866 Ų6642%0.41735%0.354SS..  trans-71142.9178.9-173.263.6000111.5Q147 E148 A149D145-Q147 VanDerWaalsContact C-N 3.32Å; D145-Q147 PolarHBondContact O-N 3.02Å; D145-Q147 WeakPolarHBondContact OD2-CA 3.25Å; D145-Q147 WeakPolarHBondContact OD2-CB 3.3Å; D145-Q147 PolarHBondContact OD2-N 2.95Å; D145-E148 HydrophobicContact CB-CB 4.2Å; D145-E148 PolarHBondContact O-N 3.23Å; D145-E148 PolarHBondContact OD2-N 2.64Å; D145-A149 PolarHBondContact O-N 2.94Å; D145-A149 VanDerWaalsContact O-N 3.15Å
146F96.6Very high96.8Very high86 Ų8665.5 Ų65.538%0.37735%0.353SS..Hα-helixtrans-62.2-42179.3177.8-89.9000111.3A149 Q150 F160 E162F146-A149 PolarHBondContact O-N 2.9Å; F146-Q150 HydrophobicContact CD1-CB 4.46Å; F146-Q150 HydrophobicContact CE1-CB 4.14Å; F146-Q150 HydrophobicContact CE1-CG 4.39Å; F146-Q150 VanDerWaalsContact O-CB 3.27Å; F146-Q150 WeakPolarHBondContact O-CB 3.46Å; F146-Q150 PolarHBondContact O-N 3.08Å; F146-F160 AromaticContact CD2-CE1 3.89Å; F146-F160 HydrophobicContact CD2-CE1 3.89Å; F146-F160 HydrophobicContact CD2-CZ 4.3Å; F146-F160 HydrophobicContact CE2-CD1 4.37Å; F146-F160 AromaticContact CE2-CE1 3.55Å; F146-F160 HydrophobicContact CE2-CE1 3.55Å; F146-F160 HydrophobicContact CE2-CZ 4.27Å; F146-F160 HydrophobicContact CZ-CD1 4.48Å; F146-F160 AromaticContact CZ-CE1 3.97Å; F146-F160 HydrophobicContact CZ-CE1 3.97Å; F146-E162 HydrophobicContact CD2-CG 3.76Å; F146-E162 HydrophobicContact CE2-CG 3.98Å
147Q96.9Very high96.7Very high147 Ų14769.6 Ų69.669%0.68738%0.381SS*.Hα-helixtrans-69.1-36.5-177.6-54.4-178.52.800110.9D145 Q150 A151D145-Q147 VanDerWaalsContact C-N 3.32Å; D145-Q147 PolarHBondContact O-N 3.02Å; D145-Q147 WeakPolarHBondContact OD2-CA 3.25Å; D145-Q147 WeakPolarHBondContact OD2-CB 3.3Å; D145-Q147 PolarHBondContact OD2-N 2.95Å; Q147-Q150 PolarHBondContact O-N 2.66Å; Q147-A151 VanDerWaalsContact O-CB 3.22Å; Q147-A151 WeakPolarHBondContact O-CB 3.14Å; Q147-A151 PolarHBondContact O-N 3.24Å
148E96.8Very high96.7Very high87 Ų8767.5 Ų67.541%0.40737%0.37SS..Hα-helixtrans-60.9-47.1173.9-168.5-160.5156.100111.3F109 K113 D145 Y152F109-E148 HydrophobicContact CE1-CG 4.28Å; F109-E148 WeakPolarHBondContact CE1-OE1 3.43Å; K113-E148 IonicContact NZ-OE1 3.11Å; K113-E148 PolarHBondContact NZ-OE1 2.81Å; K113-E148 VanDerWaalsContact NZ-OE1 3.11Å; D145-E148 HydrophobicContact CB-CB 4.2Å; D145-E148 PolarHBondContact O-N 3.23Å; D145-E148 PolarHBondContact OD2-N 2.64Å; E148-Y152 WeakPolarHBondContact O-CB 3.3Å; E148-Y152 PolarHBondContact O-N 2.68Å
149A97Very high96.7Very high1 Ų166.5 Ų66.51%0.00837%0.365CS..Hα-helixtrans-68.1-39.8179.900000112.6F101 F109 V144 D145 F146 A153 F160F101-A149 HydrophobicContact CZ-CB 3.94Å; F109-A149 HydrophobicContact CE2-CB 4.25Å; F109-A149 HydrophobicContact CZ-CB 4.06Å; V144-A149 HydrophobicContact CG1-CB 4.32Å; D145-A149 PolarHBondContact O-N 2.94Å; D145-A149 VanDerWaalsContact O-N 3.15Å; F146-A149 PolarHBondContact O-N 2.9Å; A149-A153 WeakPolarHBondContact O-CB 2.82Å; A149-A153 PolarHBondContact O-N 2.91Å; A149-F160 HydrophobicContact CB-CE1 4.04Å; A149-F160 HydrophobicContact CB-CE2 3.77Å; A149-F160 HydrophobicContact CB-CZ 3.43Å; A149-F160 VanDerWaalsContact CB-CZ 3.43Å
150Q97.7Very high96.9Very high54 Ų5465.2 Ų65.225%0.25235%0.35SS..Hα-helixtrans-64-49.6175.6-179.165.268.100111.3F146 Q147 Y152 A153 D154 F160F146-Q150 HydrophobicContact CD1-CB 4.46Å; F146-Q150 HydrophobicContact CE1-CB 4.14Å; F146-Q150 HydrophobicContact CE1-CG 4.39Å; F146-Q150 VanDerWaalsContact O-CB 3.27Å; F146-Q150 WeakPolarHBondContact O-CB 3.46Å; F146-Q150 PolarHBondContact O-N 3.08Å; Q147-Q150 PolarHBondContact O-N 2.66Å; Q150-Y152 VanDerWaalsContact C-N 3.31Å; Q150-Y152 PolarHBondContact O-N 2.91Å; Q150-A153 WeakPolarHBondContact O-CB 3.49Å; Q150-A153 PolarHBondContact O-N 2.86Å; Q150-D154 VanDerWaalsContact NE2-CG 3.33Å; Q150-D154 PolarHBondContact NE2-OD1 3.25Å; Q150-D154 PolarHBondContact NE2-OD2 3.5Å; Q150-D154 VanDerWaalsContact NE2-OD2 3.08Å; Q150-D154 PolarHBondContact O-N 2.79Å; Q150-F160 HydrophobicContact CB-CD1 4Å; Q150-F160 HydrophobicContact CB-CE1 4.06Å
151A97.9Very high97Very high47 Ų4762 Ų6239%0.38832%0.323SS..Hα-helixtrans-58.6-44.2177.900000111.5Q147 A153 D154 D155Q147-A151 VanDerWaalsContact O-CB 3.22Å; Q147-A151 WeakPolarHBondContact O-CB 3.14Å; Q147-A151 PolarHBondContact O-N 3.24Å; A151-A153 VanDerWaalsContact C-N 3.31Å; A151-A153 PolarHBondContact O-N 3.31Å; A151-D154 PolarHBondContact O-N 2.94Å; A151-D155 WeakPolarHBondContact O-CB 3.09Å; A151-D155 VanDerWaalsContact O-CG 3.25Å; A151-D155 PolarHBondContact O-N 2.96Å
152Y98Very high97.1Very high29 Ų2956 Ų5611%0.11430%0.296CS..Hα-helixtrans-60.2-40.8174.9175.9-100.2000112.5F109 K113 V116 L131 E148 Q150 N156 L158F109-Y152 HydrophobicContact CE2-CD1 4.22Å; F109-Y152 HydrophobicContact CZ-CD1 4.26Å; F109-Y152 HydrophobicContact CZ-CG 4.3Å; K113-Y152 WeakPolarHBondContact CA-OH 3.24Å; K113-Y152 HydrophobicContact CB-CE1 4.42Å; K113-Y152 HydrophobicContact CB-CE2 4.28Å; K113-Y152 HydrophobicContact CD-CD2 4.16Å; K113-Y152 HydrophobicContact CD-CE2 4.04Å; K113-Y152 HydrophobicContact CG-CD1 4.24Å; K113-Y152 HydrophobicContact CG-CD2 4.25Å; K113-Y152 HydrophobicContact CG-CE1 3.79Å; K113-Y152 HydrophobicContact CG-CE2 3.82Å; K113-Y152 HydrophobicContact CG-CG 4.45Å; K113-Y152 PolarHBondContact O-OH 3.32Å; V116-Y152 HydrophobicContact CG2-CE1 4.41Å; L131-Y152 HydrophobicContact CD2-CD1 4.02Å; L131-Y152 HydrophobicContact CD2-CE1 4.48Å; E148-Y152 WeakPolarHBondContact O-CB 3.3Å; E148-Y152 PolarHBondContact O-N 2.68Å; Q150-Y152 VanDerWaalsContact C-N 3.31Å; Q150-Y152 PolarHBondContact O-N 2.91Å; Y152-N156 WeakPolarHBondContact CD2-ND2 3.42Å; Y152-N156 WeakPolarHBondContact CE2-ND2 3.1Å; Y152-N156 WeakPolarHBondContact O-CB 3.33Å; Y152-N156 PolarHBondContact O-N 3.24Å; Y152-N156 PolarHBondContact O-ND2 2.83Å; Y152-L158 HydrophobicContact CD1-CD1 4.46Å; Y152-L158 HydrophobicContact CE1-CD1 4Å
153A97.6Very high97.2Very high0 Ų052.2 Ų52.20%028%0.282CS..Hα-helixtrans-65.8-43.3177.900000112.1L131 A149 Q150 A151 N156 S157 L158 F160L131-A153 HydrophobicContact CD2-CB 4.39Å; A149-A153 WeakPolarHBondContact O-CB 2.82Å; A149-A153 PolarHBondContact O-N 2.91Å; Q150-A153 WeakPolarHBondContact O-CB 3.49Å; Q150-A153 PolarHBondContact O-N 2.86Å; A151-A153 VanDerWaalsContact C-N 3.31Å; A151-A153 PolarHBondContact O-N 3.31Å; A153-N156 CarbonylContact O-C 3.42Å; A153-N156 PolarHBondContact O-N 3.19Å; A153-S157 PolarHBondContact O-N 3.12Å; A153-L158 HydrophobicContact CB-CB 4.1Å; A153-L158 PolarHBondContact O-N 3.45Å; A153-F160 HydrophobicContact CB-CB 3.43Å; A153-F160 VanDerWaalsContact CB-CB 3.43Å; A153-F160 HydrophobicContact CB-CG 4.09Å
154D97Very high97.3Very high95 Ų9549.8 Ų49.851%0.50826%0.263SS..Hα-helixtrans-64.2-46.6178.9-65.7-29.9000111.1Q150 A151 N156 S157Q150-D154 VanDerWaalsContact NE2-CG 3.33Å; Q150-D154 PolarHBondContact NE2-OD1 3.25Å; Q150-D154 PolarHBondContact NE2-OD2 3.5Å; Q150-D154 VanDerWaalsContact NE2-OD2 3.08Å; Q150-D154 PolarHBondContact O-N 2.79Å; A151-D154 PolarHBondContact O-N 2.94Å; D154-N156 PolarHBondContact O-N 3.37Å; D154-N156 VanDerWaalsContact O-N 3.14Å; D154-S157 PolarHBondContact O-N 2.95Å
155D96.9Very high97.3Very high137 Ų13749.9 Ų49.973%0.73326%0.263SS*.Hα-helixtrans-58.1-29.1176.3-73.9-14.5000112.9A151A151-D155 WeakPolarHBondContact O-CB 3.09Å; A151-D155 VanDerWaalsContact O-CG 3.25Å; A151-D155 PolarHBondContact O-N 2.96Å
156N95.5Very high97.3Very high42 Ų4250.6 Ų50.623%0.22526%0.263CS..THydrogen-bonded Turntrans-105.17.9-178.9-69.6-93.5000113.1Y152 A153 D154 L158Y152-N156 WeakPolarHBondContact CD2-ND2 3.42Å; Y152-N156 WeakPolarHBondContact CE2-ND2 3.1Å; Y152-N156 WeakPolarHBondContact O-CB 3.33Å; Y152-N156 PolarHBondContact O-N 3.24Å; Y152-N156 PolarHBondContact O-ND2 2.83Å; A153-N156 CarbonylContact O-C 3.42Å; A153-N156 PolarHBondContact O-N 3.19Å; D154-N156 PolarHBondContact O-N 3.37Å; D154-N156 VanDerWaalsContact O-N 3.14Å; N156-L158 HydrophobicContact CB-CD1 3.96Å; N156-L158 HydrophobicContact CB-CD2 4.03Å; N156-L158 HydrophobicContact CB-CG 3.7Å; N156-L158 WeakPolarHBondContact O-CD2 3.49Å; N156-L158 PolarHBondContact O-N 2.88Å
157S95Very high97.3Very high97 Ų9750.6 Ų50.668%0.67827%0.27SS*.THydrogen-bonded Turntrans55.533-179.2-600000114.7A153 D154A153-S157 PolarHBondContact O-N 3.12Å; D154-S157 PolarHBondContact O-N 2.95Å
158L97Very high97.3Very high14 Ų1445.3 Ų45.37%0.07325%0.251CS..  trans-86.9154.4179.7-43.9178000110.5V116 I129 L131 Y152 A153 N156V116-L158 HydrophobicContact CG1-CD1 3.87Å; V116-L158 HydrophobicContact CG1-CD2 3.92Å; V116-L158 HydrophobicContact CG2-CD1 3.87Å; I129-L158 HydrophobicContact CB-CD2 3.81Å; I129-L158 HydrophobicContact CD1-CD2 4.42Å; I129-L158 HydrophobicContact CG2-CD2 3.87Å; L131-L158 HydrophobicContact CB-CD1 4.25Å; Y152-L158 HydrophobicContact CD1-CD1 4.46Å; Y152-L158 HydrophobicContact CE1-CD1 4Å; A153-L158 HydrophobicContact CB-CB 4.1Å; A153-L158 PolarHBondContact O-N 3.45Å; N156-L158 HydrophobicContact CB-CD1 3.96Å; N156-L158 HydrophobicContact CB-CD2 4.03Å; N156-L158 HydrophobicContact CB-CG 3.7Å; N156-L158 WeakPolarHBondContact O-CD2 3.49Å; N156-L158 PolarHBondContact O-N 2.88Å
159L97.6Very high97.3Very high38 Ų3844.6 Ų44.620%0.19925%0.249CC..EExtended strand (participates in β ladder)trans-74.5139.2159.5-63.3173.3000108.2V128 I129 A130 L131 A177 I178 K181V128-L159 HydrophobicContact CG1-CD1 3.93Å; I129-L159 PolarHBondContact O-N 3.44Å; A130-L159 CarbonylContact C-O 3.54Å; A130-L159 VanDerWaalsContact CA-O 3.3Å; A130-L159 WeakPolarHBondContact CA-O 3.43Å; A130-L159 HydrophobicContact CB-CB 3.89Å; L131-L159 PolarHBondContact N-O 3.28Å; L159-A177 HydrophobicContact CD1-CB 4.27Å; L159-I178 HydrophobicContact CD1-CG1 3.92Å; L159-K181 HydrophobicContact CD1-CD 4.07Å; L159-K181 HydrophobicContact CD2-CD 3.96Å; L159-K181 HydrophobicContact CG-CD 4.09Å
160F98.3Very high97.3Very high23 Ų2347.1 Ų47.110%0.10126%0.262CS..EExtended strand (participates in β ladder)trans-132.9134.9174.5175-113.6000111.9F101 L131 F146 A149 Q150 A153 E162F101-F160 AromaticContact CE1-CE2 3.98Å; F101-F160 HydrophobicContact CE1-CE2 3.98Å; F101-F160 HydrophobicContact CZ-CE2 4.09Å; L131-F160 HydrophobicContact CB-CD2 4.03Å; L131-F160 HydrophobicContact CD2-CD2 3.79Å; L131-F160 HydrophobicContact CD2-CE2 4.22Å; L131-F160 HydrophobicContact CG-CD2 3.87Å; L131-F160 HydrophobicContact CG-CE2 4.35Å; L131-F160 WeakPolarHBondContact O-CA 3.05Å; L131-F160 WeakPolarHBondContact O-CD2 3.41Å; F146-F160 AromaticContact CD2-CE1 3.89Å; F146-F160 HydrophobicContact CD2-CE1 3.89Å; F146-F160 HydrophobicContact CD2-CZ 4.3Å; F146-F160 HydrophobicContact CE2-CD1 4.37Å; F146-F160 AromaticContact CE2-CE1 3.55Å; F146-F160 HydrophobicContact CE2-CE1 3.55Å; F146-F160 HydrophobicContact CE2-CZ 4.27Å; F146-F160 HydrophobicContact CZ-CD1 4.48Å; F146-F160 AromaticContact CZ-CE1 3.97Å; F146-F160 HydrophobicContact CZ-CE1 3.97Å; A149-F160 HydrophobicContact CB-CE1 4.04Å; A149-F160 HydrophobicContact CB-CE2 3.77Å; A149-F160 HydrophobicContact CB-CZ 3.43Å; A149-F160 VanDerWaalsContact CB-CZ 3.43Å; Q150-F160 HydrophobicContact CB-CD1 4Å; Q150-F160 HydrophobicContact CB-CE1 4.06Å; A153-F160 HydrophobicContact CB-CB 3.43Å; A153-F160 VanDerWaalsContact CB-CB 3.43Å; A153-F160 HydrophobicContact CB-CG 4.09Å; F160-E162 HydrophobicContact CZ-CG 3.99Å
161M98.3Very high97.3Very high49 Ų4944.6 Ų44.624%0.24125%0.25CS..EExtended strand (participates in β ladder)trans-147.1142.4169.1-68.8-176.7-166.400109.4L131 A132 G133 T163 N170 E173 I174 A177L131-M161 PolarHBondContact O-N 2.77Å; A132-M161 WeakPolarHBondContact CA-O 3.42Å; G133-M161 PolarHBondContact N-O 2.85Å; M161-T163 HydrophobicContact CB-CG2 4.42Å; M161-N170 HydrophobicContact CB-CB 4.42Å; M161-N170 HydrophobicContact SD-CB 4.32Å; M161-E173 HydrophobicContact CE-CB 4.33Å; M161-E173 HydrophobicContact SD-CB 3.82Å; M161-I174 HydrophobicContact SD-CB 4.01Å; M161-A177 HydrophobicContact CE-CB 3.76Å
162E98.1Very high97.2Very high21 Ų2145.7 Ų45.710%0.09825%0.25CC..EExtended strand (participates in β ladder)trans-78.1137.5159.9-69-164.8156.700109.8G133 A136 R142 F146 F160 M169 N170G133-E162 CarbonylContact O-C 3.6Å; G133-E162 VanDerWaalsContact O-CA 3.22Å; G133-E162 WeakPolarHBondContact O-CA 3.35Å; A136-E162 HydrophobicContact CB-CB 4.2Å; R142-E162 IonicContact CZ-OE1 2.78Å; R142-E162 VanDerWaalsContact CZ-OE1 3.22Å; R142-E162 IonicContact CZ-OE2 3.8Å; R142-E162 IonicContact NH1-OE1 2.68Å; R142-E162 PolarHBondContact NH1-OE1 2.77Å; R142-E162 IonicContact NH1-OE2 2.94Å; R142-E162 IonicContact NH2-OE1 3.22Å; R142-E162 PolarHBondContact NH2-OE1 3.14Å; R142-E162 IonicContact NH2-OE2 2.64Å; R142-E162 PolarHBondContact NH2-OE2 2.9Å; F146-E162 HydrophobicContact CD2-CG 3.76Å; F146-E162 HydrophobicContact CE2-CG 3.98Å; F160-E162 HydrophobicContact CZ-CG 3.99Å; E162-M169 HydrophobicContact CB-CE 4.01Å; E162-M169 VanDerWaalsContact O-CE 3.25Å; E162-M169 WeakPolarHBondContact O-CE 3.36Å; E162-N170 WeakPolarHBondContact O-CB 3.46Å; E162-N170 PolarHBondContact O-ND2 3.25Å
163T98.3Very high97.2Very high0 Ų048.4 Ų48.40%026%0.263CS..  trans-129.4157.5-175.3600000110.4L37 A132 G133 N134 K135 A136 M161 M169 N170 I174L37-T163 HydrophobicContact CD1-CG2 4.38Å; A132-T163 HydrophobicContact CB-CG2 4.43Å; G133-T163 PolarHBondContact O-N 2.79Å; N134-T163 CarbonylContact C-O 3.57Å; N134-T163 VanDerWaalsContact CA-O 3.27Å; N134-T163 WeakPolarHBondContact CA-O 3.22Å; N134-T163 PolarHBondContact OD1-O 2.94Å; K135-T163 PolarHBondContact N-O 2.76Å; A136-T163 WeakPolarHBondContact CB-O 3.46Å; A136-T163 PolarHBondContact N-O 3.21Å; M161-T163 HydrophobicContact CB-CG2 4.42Å; T163-M169 CarbonylContact C-O 3.55Å; T163-M169 VanDerWaalsContact CA-O 3.32Å; T163-M169 WeakPolarHBondContact CA-O 3.48Å; T163-N170 HydrophobicContact CG2-CB 4.07Å; T163-I174 HydrophobicContact CG2-CD1 4.39Å; T163-I174 HydrophobicContact CG2-CG2 4.35Å
164S98.2Very high97.2Very high0 Ų048.5 Ų48.50%026%0.264CS..  trans-138.4107.5167.7168.80000109.1D137 K166 T167 A168 M169D137-S164 WeakPolarHBondContact OD1-CB 3.29Å; D137-S164 PolarHBondContact OD1-OG 3.06Å; S164-K166 PolarHBondContact O-N 3.3Å; S164-K166 PolarHBondContact OG-N 3.47Å; S164-T167 WeakPolarHBondContact CB-OG1 3.47Å; S164-T167 PolarHBondContact O-N 3.38Å; S164-T167 PolarHBondContact OG-N 2.85Å; S164-T167 PolarHBondContact OG-OG1 3.02Å; S164-A168 CarbonylContact O-C 3.47Å; S164-A168 VanDerWaalsContact O-CA 3.23Å; S164-A168 WeakPolarHBondContact O-CA 3.4Å; S164-A168 PolarHBondContact O-N 3.08Å; S164-M169 PolarHBondContact N-O 3.38Å; S164-M169 PolarHBondContact O-N 2.7Å
165A97.3Very high97.2Very high2 Ų244 Ų442%0.01724%0.239CC..THydrogen-bonded Turntrans-58.3-30171.300000112.2R40 F46 N134R40-A165 PolarHBondContact NE-O 3.26Å; R40-A165 PolarHBondContact NH2-O 3.41Å; F46-A165 HydrophobicContact CD2-CB 4.07Å; F46-A165 HydrophobicContact CE2-CB 4.25Å; N134-A165 PolarHBondContact OD1-N 3.4Å
166K96.6Very high97.1Very high94 Ų9441.2 Ų41.241%0.40922%0.223SC..THydrogen-bonded Turntrans-68.3-50.3179.6-172.8170.5-175.2165.70111.7R40 F46 E48 D137 S164R40-K166 PolarHBondContact NH2-O 3.15Å; F46-K166 HydrophobicContact CD1-CB 4.5Å; F46-K166 HydrophobicContact CD1-CG 4.25Å; F46-K166 HydrophobicContact CD2-CB 4.41Å; F46-K166 HydrophobicContact CE1-CB 4.14Å; F46-K166 HydrophobicContact CE1-CD 4.29Å; F46-K166 HydrophobicContact CE1-CG 3.86Å; F46-K166 HydrophobicContact CE2-CB 4.05Å; F46-K166 HydrophobicContact CZ-CB 3.9Å; F46-K166 HydrophobicContact CZ-CD 4.41Å; F46-K166 HydrophobicContact CZ-CG 4.09Å; E48-K166 IonicContact OE1-NZ 3.96Å; D137-K166 WeakPolarHBondContact OD2-CD 3.25Å; S164-K166 PolarHBondContact O-N 3.3Å; S164-K166 PolarHBondContact OG-N 3.47Å
167T96.7Very high97.1Very high86 Ų8640.2 Ų40.253%0.52822%0.221SC..THydrogen-bonded Turntrans-94.1-5.5-176.262.20000114D137 S164 M169D137-T167 HydrophobicContact CB-CG2 3.84Å; S164-T167 WeakPolarHBondContact CB-OG1 3.47Å; S164-T167 PolarHBondContact O-N 3.38Å; S164-T167 PolarHBondContact OG-N 2.85Å; S164-T167 PolarHBondContact OG-OG1 3.02Å; T167-M169 PolarHBondContact O-N 3.05Å; T167-M169 WeakPolarHBondContact OG1-CB 3.44Å; T167-M169 PolarHBondContact OG1-N 3.18Å
168A97Very high97.2Very high36 Ų3635.6 Ų35.630%0.29819%0.189SC..  trans66.69.9-170.500000115.2R40 S164 N170 V171R40-A168 HydrophobicContact CG-CB 4.11Å; S164-A168 CarbonylContact O-C 3.47Å; S164-A168 VanDerWaalsContact O-CA 3.23Å; S164-A168 WeakPolarHBondContact O-CA 3.4Å; S164-A168 PolarHBondContact O-N 3.08Å; A168-N170 PolarHBondContact O-N 3.33Å; A168-V171 PolarHBondContact O-N 3.2Å
169M97.9Very high97.1Very high72 Ų7235 Ų3536%0.35519%0.185SC..THydrogen-bonded Turntrans-58.8126.4177.1-171-169.992.200111.3A136 E162 T163 S164 T167 V171A136-M169 HydrophobicContact CB-CE 3.28Å; A136-M169 HydrophobicContact CB-SD 4.24Å; E162-M169 HydrophobicContact CB-CE 4.01Å; E162-M169 VanDerWaalsContact O-CE 3.25Å; E162-M169 WeakPolarHBondContact O-CE 3.36Å; T163-M169 CarbonylContact C-O 3.55Å; T163-M169 VanDerWaalsContact CA-O 3.32Å; T163-M169 WeakPolarHBondContact CA-O 3.48Å; S164-M169 PolarHBondContact N-O 3.38Å; S164-M169 PolarHBondContact O-N 2.7Å; T167-M169 PolarHBondContact O-N 3.05Å; T167-M169 WeakPolarHBondContact OG1-CB 3.44Å; T167-M169 PolarHBondContact OG1-N 3.18Å; M169-V171 PolarHBondContact O-N 3.38Å
170N97.5Very high96.9Very high53 Ų5340 Ų4028%0.28321%0.206SC..THydrogen-bonded Turntrans55.813.6177.1-64.7-23.1000115.3M161 E162 T163 A168 E173 I174M161-N170 HydrophobicContact CB-CB 4.42Å; M161-N170 HydrophobicContact SD-CB 4.32Å; E162-N170 WeakPolarHBondContact O-CB 3.46Å; E162-N170 PolarHBondContact O-ND2 3.25Å; T163-N170 HydrophobicContact CG2-CB 4.07Å; A168-N170 PolarHBondContact O-N 3.33Å; N170-E173 WeakPolarHBondContact CA-OE2 3.23Å; N170-E173 HydrophobicContact CB-CB 4.43Å; N170-E173 PolarHBondContact N-OE2 2.96Å; N170-I174 PolarHBondContact O-N 3.39Å
171V97.4Very high96.6Very high1 Ų144.1 Ų44.11%0.00622%0.223CC..Hα-helixtrans-70.9-47.9-178.8176.20000109.9L37 R40 F41 A168 M169 E173 I174 F175L37-V171 HydrophobicContact CD1-CG2 4.02Å; R40-V171 HydrophobicContact CB-CG1 4.2Å; R40-V171 HydrophobicContact CG-CB 4.3Å; R40-V171 HydrophobicContact CG-CG1 3.95Å; R40-V171 HydrophobicContact CG-CG2 4.1Å; F41-V171 HydrophobicContact CB-CG1 3.89Å; A168-V171 PolarHBondContact O-N 3.2Å; M169-V171 PolarHBondContact O-N 3.38Å; V171-E173 VanDerWaalsContact C-N 3.34Å; V171-E173 PolarHBondContact N-OE2 3.24Å; V171-I174 WeakPolarHBondContact O-CG2 3.47Å; V171-F175 HydrophobicContact CG1-CE2 4.45Å; V171-F175 WeakPolarHBondContact O-CD2 3.44Å
172N96.1Very high96.3Very high71 Ų7142 Ų4238%0.3821%0.213SC..Hα-helixtrans-72.4-35.6179-69.8-61.1000111.3F41 I174 F175 M176F41-N172 WeakPolarHBondContact CD2-OD1 3.5Å; N172-I174 PolarHBondContact O-N 3.35Å; N172-F175 PolarHBondContact O-N 3.48Å; N172-M176 HydrophobicContact CB-CE 4.33Å; N172-M176 WeakPolarHBondContact O-CB 3.31Å; N172-M176 VanDerWaalsContact O-CG 3.26Å; N172-M176 WeakPolarHBondContact O-CG 3.44Å; N172-M176 PolarHBondContact O-N 2.89Å
173E96.9Very high95.8Very high86 Ų8645.4 Ų45.440%0.40224%0.237SC..Hα-helixtrans-61.7-42.3-174.8-66.274.7-17400111.3M161 N170 V171 M176 A177M161-E173 HydrophobicContact CE-CB 4.33Å; M161-E173 HydrophobicContact SD-CB 3.82Å; N170-E173 WeakPolarHBondContact CA-OE2 3.23Å; N170-E173 HydrophobicContact CB-CB 4.43Å; N170-E173 PolarHBondContact N-OE2 2.96Å; V171-E173 VanDerWaalsContact C-N 3.34Å; V171-E173 PolarHBondContact N-OE2 3.24Å; E173-M176 PolarHBondContact O-N 3.4Å; E173-A177 VanDerWaalsContact O-CB 3.27Å; E173-A177 WeakPolarHBondContact O-CB 3.49Å; E173-A177 PolarHBondContact O-N 3.12Å
174I97.7Very high95Very high1 Ų148.4 Ų48.41%0.00525%0.25CS..Hα-helixtrans-67-42.2178.1-163.3172.8000111.9I98 A130 A132 M161 T163 N170 V171 N172 A177 I178I98-I174 HydrophobicContact CG2-CD1 4.19Å; A130-I174 HydrophobicContact CB-CD1 4.11Å; A130-I174 HydrophobicContact CB-CG1 4.14Å; A132-I174 HydrophobicContact CB-CD1 3.65Å; M161-I174 HydrophobicContact SD-CB 4.01Å; T163-I174 HydrophobicContact CG2-CD1 4.39Å; T163-I174 HydrophobicContact CG2-CG2 4.35Å; N170-I174 PolarHBondContact O-N 3.39Å; V171-I174 WeakPolarHBondContact O-CG2 3.47Å; N172-I174 PolarHBondContact O-N 3.35Å; I174-A177 PolarHBondContact O-N 3.46Å; I174-I178 HydrophobicContact CG1-CD1 4.49Å; I174-I178 WeakPolarHBondContact O-CD1 3.49Å; I174-I178 VanDerWaalsContact O-CG1 3.29Å; I174-I178 WeakPolarHBondContact O-CG1 3.13Å; I174-I178 PolarHBondContact O-N 3.26Å; I174-I178 VanDerWaalsContact O-N 3.07Å
175F96.8Very high93.4Very high0 Ų055.5 Ų55.50%029%0.288CS..Hα-helixtrans-68-38176-70.4-80.7000111.7L24 L37 F41 F72 I74 I98 V171 N172 I178 A179L24-F175 HydrophobicContact CD1-CD1 3.94Å; L24-F175 HydrophobicContact CD1-CE1 4.04Å; L24-F175 HydrophobicContact CD2-CE1 4.1Å; L37-F175 HydrophobicContact CD2-CE2 4.34Å; L37-F175 HydrophobicContact CD2-CZ 4.41Å; F41-F175 HydrophobicContact CB-CD2 3.9Å; F41-F175 HydrophobicContact CB-CE2 3.55Å; F41-F175 HydrophobicContact CB-CZ 4.2Å; F41-F175 AromaticContact CD1-CD1 3.89Å; F41-F175 HydrophobicContact CD1-CD1 3.89Å; F41-F175 AromaticContact CD1-CD2 3.61Å; F41-F175 HydrophobicContact CD1-CD2 3.61Å; F41-F175 AromaticContact CD1-CE1 3.88Å; F41-F175 HydrophobicContact CD1-CE1 3.88Å; F41-F175 AromaticContact CD1-CE2 3.66Å; F41-F175 HydrophobicContact CD1-CE2 3.66Å; F41-F175 AromaticContact CD1-CG 3.78Å; F41-F175 HydrophobicContact CD1-CG 3.78Å; F41-F175 AromaticContact CD1-CZ 3.8Å; F41-F175 HydrophobicContact CD1-CZ 3.8Å; F41-F175 HydrophobicContact CD2-CB 4.22Å; F41-F175 AromaticContact CD2-CD2 3.44Å; F41-F175 HydrophobicContact CD2-CD2 3.44Å; F41-F175 VanDerWaalsContact CD2-CD2 3.44Å; F41-F175 HydrophobicContact CD2-CE2 4.03Å; F41-F175 AromaticContact CD2-CG 3.96Å; F41-F175 HydrophobicContact CD2-CG 3.96Å; F41-F175 HydrophobicContact CE1-CB 4Å; F41-F175 AromaticContact CE1-CD1 3.63Å; F41-F175 HydrophobicContact CE1-CD1 3.63Å; F41-F175 AromaticContact CE1-CD2 3.89Å; F41-F175 HydrophobicContact CE1-CD2 3.89Å; F41-F175 HydrophobicContact CE1-CE1 4.04Å; F41-F175 HydrophobicContact CE1-CE2 4.33Å; F41-F175 AromaticContact CE1-CG 3.57Å; F41-F175 HydrophobicContact CE1-CG 3.57Å; F41-F175 HydrophobicContact CE1-CZ 4.39Å; F41-F175 HydrophobicContact CE2-CB 3.62Å; F41-F175 AromaticContact CE2-CD2 3.77Å; F41-F175 HydrophobicContact CE2-CD2 3.77Å; F41-F175 AromaticContact CE2-CG 3.79Å; F41-F175 HydrophobicContact CE2-CG 3.79Å; F41-F175 HydrophobicContact CG-CD1 4.48Å; F41-F175 AromaticContact CG-CD2 3.36Å; F41-F175 HydrophobicContact CG-CD2 3.36Å; F41-F175 AromaticContact CG-CE2 3.47Å; F41-F175 HydrophobicContact CG-CE2 3.47Å; F41-F175 VanDerWaalsContact CG-CE2 3.47Å; F41-F175 AromaticContact CG-CG 3.95Å; F41-F175 HydrophobicContact CG-CG 3.95Å; F41-F175 HydrophobicContact CG-CZ 4.08Å; F41-F175 HydrophobicContact CZ-CB 3.49Å; F41-F175 VanDerWaalsContact CZ-CB 3.49Å; F41-F175 HydrophobicContact CZ-CD1 4.06Å; F41-F175 AromaticContact CZ-CD2 3.97Å; F41-F175 HydrophobicContact CZ-CD2 3.97Å; F41-F175 AromaticContact CZ-CG 3.59Å; F41-F175 HydrophobicContact CZ-CG 3.59Å; F72-F175 HydrophobicContact CE2-CB 4.2Å; I74-F175 HydrophobicContact CD1-CE1 4.29Å; I98-F175 HydrophobicContact CD1-CD1 3.92Å; I98-F175 HydrophobicContact CD1-CE1 3.44Å; I98-F175 VanDerWaalsContact CD1-CE1 3.44Å; I98-F175 HydrophobicContact CD1-CE2 4.36Å; I98-F175 HydrophobicContact CD1-CZ 3.67Å; V171-F175 HydrophobicContact CG1-CE2 4.45Å; V171-F175 WeakPolarHBondContact O-CD2 3.44Å; N172-F175 PolarHBondContact O-N 3.48Å; F175-I178 PolarHBondContact O-N 3.17Å; F175-A179 WeakPolarHBondContact O-CB 3.34Å; F175-A179 PolarHBondContact O-N 2.93Å
176M95.4Very high91.2Very high79 Ų7962.2 Ų62.239%0.38932%0.319SS..Hα-helixtrans-64.9-41.3174-74.2-180-178.400112V63 N172 E173 I178 A179 K180V63-M176 HydrophobicContact CG1-CE 4.4Å; V63-M176 HydrophobicContact CG1-CG 3.91Å; N172-M176 HydrophobicContact CB-CE 4.33Å; N172-M176 WeakPolarHBondContact O-CB 3.31Å; N172-M176 VanDerWaalsContact O-CG 3.26Å; N172-M176 WeakPolarHBondContact O-CG 3.44Å; N172-M176 PolarHBondContact O-N 2.89Å; E173-M176 PolarHBondContact O-N 3.4Å; M176-I178 VanDerWaalsContact C-N 3.33Å; M176-I178 PolarHBondContact O-N 3.31Å; M176-A179 PolarHBondContact O-N 3.26Å; M176-K180 WeakPolarHBondContact O-CG 3.36Å; M176-K180 PolarHBondContact O-N 2.96Å
177A95.9Very high88.7Confident22 Ų2262.7 Ų62.718%0.18233%0.332CS..Hα-helixtrans-62.3-42176.900000111.4L159 M161 E173 I174 K180 K181L159-A177 HydrophobicContact CD1-CB 4.27Å; M161-A177 HydrophobicContact CE-CB 3.76Å; E173-A177 VanDerWaalsContact O-CB 3.27Å; E173-A177 WeakPolarHBondContact O-CB 3.49Å; E173-A177 PolarHBondContact O-N 3.12Å; I174-A177 PolarHBondContact O-N 3.46Å; A177-K180 PolarHBondContact O-N 3.11Å; A177-K181 PolarHBondContact O-N 3.09Å
178I96Very high86.6Confident0 Ų065.1 Ų65.10%034%0.337CS..Hα-helixtrans-62.3-48.8172.9-66.9164.3000110.4L24 F72 A96 I98 V128 A130 L159 I174 F175 M176 K180 K181 L182L24-I178 HydrophobicContact CD1-CD1 4.07Å; L24-I178 HydrophobicContact CD1-CG2 4.25Å; F72-I178 HydrophobicContact CE1-CG2 4.1Å; F72-I178 HydrophobicContact CZ-CB 4.49Å; F72-I178 HydrophobicContact CZ-CG2 4.16Å; A96-I178 HydrophobicContact CB-CG2 3.48Å; A96-I178 VanDerWaalsContact CB-CG2 3.48Å; I98-I178 HydrophobicContact CD1-CD1 3.7Å; I98-I178 HydrophobicContact CG1-CD1 3.51Å; V128-I178 HydrophobicContact CG1-CG1 4.49Å; V128-I178 HydrophobicContact CG1-CG2 4.38Å; A130-I178 HydrophobicContact CB-CD1 3.77Å; A130-I178 HydrophobicContact CB-CG1 4Å; L159-I178 HydrophobicContact CD1-CG1 3.92Å; I174-I178 HydrophobicContact CG1-CD1 4.49Å; I174-I178 WeakPolarHBondContact O-CD1 3.49Å; I174-I178 VanDerWaalsContact O-CG1 3.29Å; I174-I178 WeakPolarHBondContact O-CG1 3.13Å; I174-I178 PolarHBondContact O-N 3.26Å; I174-I178 VanDerWaalsContact O-N 3.07Å; F175-I178 PolarHBondContact O-N 3.17Å; M176-I178 VanDerWaalsContact C-N 3.33Å; M176-I178 PolarHBondContact O-N 3.31Å; I178-K180 PolarHBondContact O-N 3.17Å; I178-K181 PolarHBondContact O-N 3.15Å; I178-L182 HydrophobicContact CG2-CD1 3.86Å; I178-L182 HydrophobicContact CG2-CG 4.25Å; I178-L182 WeakPolarHBondContact O-CG 3Å; I178-L182 PolarHBondContact O-N 3.34Å
179A94.5Very high84.6Confident0 Ų067 Ų670%036%0.36CS..Hα-helixtrans-57.6-35.3179.700000112.6L65 V70 F72 F175 M176L65-A179 HydrophobicContact CD1-CB 4.05Å; L65-A179 HydrophobicContact CD2-CB 4.38Å; V70-A179 HydrophobicContact CB-CB 4.25Å; V70-A179 HydrophobicContact CG1-CB 4.16Å; V70-A179 HydrophobicContact CG2-CB 4.22Å; F72-A179 HydrophobicContact CE2-CB 4.08Å; F72-A179 HydrophobicContact CZ-CB 3.77Å; F175-A179 WeakPolarHBondContact O-CB 3.34Å; F175-A179 PolarHBondContact O-N 2.93Å; M176-A179 PolarHBondContact O-N 3.26Å
180K93.4Very high81.9Confident144 Ų14466.5 Ų66.563%0.62637%0.373SS*.Hα-helixtrans-70.6-33.9175.9-73.4174.9-178.9-178.90113L65 M176 A177 I178L65-K180 HydrophobicContact CD2-CG 4.18Å; M176-K180 WeakPolarHBondContact O-CG 3.36Å; M176-K180 PolarHBondContact O-N 2.96Å; A177-K180 PolarHBondContact O-N 3.11Å; I178-K180 PolarHBondContact O-N 3.17Å
181K93Very high79.3Confident109 Ų10968.6 Ų68.647%0.47440%0.398SS..Hα-helixtrans-84.2-18.3-177.5-163.4164.6178.31800113.3V128 L159 A177 I178V128-K181 HydrophobicContact CG1-CB 4.19Å; V128-K181 HydrophobicContact CG1-CD 4Å; V128-K181 HydrophobicContact CG1-CG 4.22Å; V128-K181 HydrophobicContact CG2-CB 4.33Å; V128-K181 HydrophobicContact CG2-CG 4.1Å; L159-K181 HydrophobicContact CD1-CD 4.07Å; L159-K181 HydrophobicContact CD2-CD 3.96Å; L159-K181 HydrophobicContact CG-CD 4.09Å; A177-K181 PolarHBondContact O-N 3.09Å; I178-K181 PolarHBondContact O-N 3.15Å
182L92.2Very high76.4Confident6 Ų671.6 Ų71.63%0.03143%0.429CS..SBendtrans-70.6141.5178.8-75.6167.1000112.4F22 F72 Q95 A96 V128 I178 K184F22-L182 HydrophobicContact CB-CD1 3.9Å; F22-L182 HydrophobicContact CD1-CD1 4.21Å; F22-L182 HydrophobicContact CD1-CD2 4.21Å; F22-L182 HydrophobicContact CD2-CB 4.33Å; F22-L182 HydrophobicContact CD2-CD1 3.69Å; F22-L182 HydrophobicContact CE1-CB 4.23Å; F22-L182 HydrophobicContact CE1-CD2 4.48Å; F22-L182 HydrophobicContact CE2-CB 4.01Å; F22-L182 HydrophobicContact CE2-CD1 4.22Å; F22-L182 HydrophobicContact CG-CD1 3.68Å; F22-L182 HydrophobicContact CG-CD2 4.48Å; F22-L182 HydrophobicContact CG-CG 4.48Å; F22-L182 HydrophobicContact CZ-CB 3.96Å; F72-L182 HydrophobicContact CE1-CD1 3.82Å; F72-L182 HydrophobicContact CZ-CD1 4.41Å; Q95-L182 HydrophobicContact CB-CD2 3.8Å; Q95-L182 WeakPolarHBondContact O-CD2 3.47Å; A96-L182 HydrophobicContact CB-CD1 4.47Å; A96-L182 HydrophobicContact CB-CD2 4.38Å; V128-L182 HydrophobicContact CB-CD2 4.41Å; V128-L182 HydrophobicContact CG2-CD2 3.95Å; V128-L182 HydrophobicContact CG2-CG 4.4Å; I178-L182 HydrophobicContact CG2-CD1 3.86Å; I178-L182 HydrophobicContact CG2-CG 4.25Å; I178-L182 WeakPolarHBondContact O-CG 3Å; I178-L182 PolarHBondContact O-N 3.34Å; L182-K184 PolarHBondContact O-N 3.47Å; L182-K184 VanDerWaalsContact O-N 3.14Å
183P86.8Confident73.9Confident92 Ų9274.2 Ų74.260%0.59745%0.45SS*.  trans-70.1111-17928-33.4000110.6F22 N185F22-P183 WeakPolarHBondContact CZ-O 3.24Å; P183-N185 VanDerWaalsContact C-N 3.26Å; P183-N185 PolarHBondContact O-N 2.98Å
184K81.6Confident71.1Confident63 Ų6373.6 Ų73.627%0.27447%0.466SS..  trans-83.3-0179.9-55.6173.3-169.7173.50113.1K18 T68 L182K18-K184 VanDerWaalsContact CE-O 3.3Å; K18-K184 WeakPolarHBondContact CE-O 3.35Å; K18-K184 PolarHBondContact NZ-O 3.12Å; T68-K184 HydrophobicContact CG2-CD 4.19Å; T68-K184 HydrophobicContact CG2-CG 4.4Å; L182-K184 PolarHBondContact O-N 3.47Å; L182-K184 VanDerWaalsContact O-N 3.14Å
185N64.3Low68.3Low148 Ų14877.1 Ų77.179%0.79150%0.503SS*.  trans-84.2-10-165.3-81.5-2.4000115.7P183P183-N185 VanDerWaalsContact C-N 3.26Å; P183-N185 PolarHBondContact O-N 2.98Å
186E52.5Low65.5Low144 Ų14488.3 Ų88.367%0.67355%0.545SS*.  trans-98.8123.5172-69.5-168.7151.400110.6Q188E186-Q188 VanDerWaalsContact C-N 3.3Å; E186-Q188 PolarHBondContact O-N 3.11Å; E186-Q188 VanDerWaalsContact O-N 3.09Å
187P44.1Very low63.2Low103 Ų10389.4 Ų89.467%0.66957%0.567SS**  trans-63.1105.9147.327.7-23.4000105.1G189P187-G189 PolarHBondContact O-N 2.91Å
188Q51.9Low60.6Low137 Ų13799.8 Ų99.864%0.6460%0.602SS**  trans-6967154.9-87.8-173.4-4.800108E186E186-Q188 VanDerWaalsContact C-N 3.3Å; E186-Q188 PolarHBondContact O-N 3.11Å; E186-Q188 VanDerWaalsContact O-N 3.09Å
189G55Low57.8Low76 Ų76103.1 Ų103.178%0.78464%0.636SS**  trans-80.9101.6144.500000105.9P187P187-G189 PolarHBondContact O-N 2.91Å
190G40Very low55.1Low61 Ų61107 Ų10763%0.62968%0.677SS**  trans-165.278.6176.100000108.1
191A42.8Very low52.5Low97 Ų97106.7 Ų106.780%0.80269%0.686SS**  58.188.895.100000110
192G36.9Very low50.1Low64 Ų64107.8 Ų107.866%0.6670%0.697SS**  trans-50.2136.4150.200000107.6G194G192-G194 PolarHBondContact O-N 2.94Å
193P44.1Very low47.6Very low127 Ų127115.6 Ų115.683%0.82574%0.738SS**  trans-58.2123.2178.523.1-29.8000107.4G195P193-G195 PolarHBondContact O-N 3.3Å
194G39.1Very low45.3Very low72 Ų72119 Ų11974%0.74275%0.746SS**  trans-49.4105.5166.500000108G192 R196G192-G194 PolarHBondContact O-N 2.94Å; G194-R196 VanDerWaalsContact C-N 3.27Å; G194-R196 PolarHBondContact O-N 3.13Å
195G38.1Very low43.4Very low76 Ų76125.2 Ų125.278%0.78478%0.776SS**  trans-61.996.3168.700000107.1P193 A197P193-G195 PolarHBondContact O-N 3.3Å; G195-A197 PolarHBondContact O-N 2.93Å; G195-A197 VanDerWaalsContact O-N 3.13Å
196R37.5Very low42.1Very low234 Ų234124.6 Ų124.688%0.88378%0.778SS**  trans-45.9121.4159.6-84.2175.9161.9176.7-5.4107.3G194 R198G194-R196 VanDerWaalsContact C-N 3.27Å; G194-R196 PolarHBondContact O-N 3.13Å; R196-R198 PolarHBondContact O-N 3.11Å
197A47.5Very low41.6Very low102 Ų102121.9 Ų121.984%0.84378%0.78SS**  trans-41.1109.7166.800000110.1G195G195-A197 PolarHBondContact O-N 2.93Å; G195-A197 VanDerWaalsContact O-N 3.13Å
198R41.5Very low41.3Very low240 Ų240123.2 Ų123.291%0.90679%0.789SS**  trans-140.7106.8159.3-87.2-163.4166.4-179.8-3.7108.2R196R196-R198 PolarHBondContact O-N 3.11Å
199G37.7Very low40.7Very low70 Ų70125.9 Ų125.972%0.72280%0.801SS**  trans65.287.8151.200000115.4V201G199-V201 PolarHBondContact O-N 3.21Å
200G36.1Very low39.7Very low83 Ų83126 Ų12686%0.85680%0.802SS**  trans-57.2121.9152.500000108.6D202G200-D202 PolarHBondContact O-N 3.2Å
201V40.7Very low39.7Very low136 Ų136134.8 Ų134.882%0.82482%0.816SS**  trans-83.697.2162.6-73.10000106.2G199 L203G199-V201 PolarHBondContact O-N 3.21Å; V201-L203 PolarHBondContact O-N 3.02Å
202D41.3Very low39.4Very low133 Ų133135.6 Ų135.671%0.71182%0.816SS**  trans-76.1111.1168.8-158-30.1000107.4G200 Q204G200-D202 PolarHBondContact O-N 3.2Å; D202-Q204 PolarHBondContact O-N 3.43Å; D202-Q204 VanDerWaalsContact O-N 3.15Å
203L41Very low39.5Very low170 Ų170136.6 Ų136.689%0.8983%0.826SS**  trans-83.276.7170.4-79.5162.9000107.4V201V201-L203 PolarHBondContact O-N 3.02Å
204Q37.4Very low39.4Very low162 Ų162139.5 Ų139.576%0.75783%0.829SS**  trans-115.1111.8161.4-99.1176.56.800110.6D202 T206D202-Q204 PolarHBondContact O-N 3.43Å; D202-Q204 VanDerWaalsContact O-N 3.15Å; Q204-T206 PolarHBondContact O-N 2.92Å
205E42.3Very low39.2Very low194 Ų194141.1 Ų141.191%0.90783%0.828SS**  trans-41.4114.1169.9-167.6171.6137.200113.3
206T36Very low39.4Very low136 Ų136142.5 Ų142.583%0.83482%0.824SS**  trans-138116.915953.20000109.9Q204Q204-T206 PolarHBondContact O-N 2.92Å
207A42.3Very low39.3Very low86 Ų86135.7 Ų135.771%0.71183%0.826SS**  trans-54.5147.2179.600000113.6Q209A207-Q209 PolarHBondContact O-N 3.07Å
208P39.2Very low38.8Very low132 Ų132134.5 Ų134.586%0.85783%0.825SS**  trans-74114.8173.427.5-29.2000110.8
209Q37.6Very low38.8Very low193 Ų193126.9 Ų126.990%0.90282%0.821SS**  trans-66.3126165.7-75.6177.2-9.200110.1A207A207-Q209 PolarHBondContact O-N 3.07Å
210G35.3Very low38.8Very low78 Ų78135.4 Ų135.480%0.80485%0.85SS**  trans-67.1144.3177.200000113.2
211R38.8Very low38.9Very low245 Ų245138.1 Ų138.193%0.92585%0.849SS**  trans-93.9109.4165.9-94.7-177.9162.7-175.2-4.6110.2
212S38.1Very low38.8Very low115 Ų115138.2 Ų138.280%0.80485%0.851SS**  trans22.5121.7138.660.30000119.8
213G37.7Very low38.7Very low84 Ų84138.4 Ų138.487%0.86686%0.859SS**  trans177.484.716000000112.3
214Q42.2Very low38.6Very low189 Ų189136.6 Ų136.688%0.88386%0.857SS**  trans-70.4153.4179.2-17190.434.800112.7
215C35.4Very low38.6Very low106 Ų106135 Ų13572%0.71686%0.863SS**  trans93.6136.8148.9-1580000116.6
216C42Very low38.4Very low105 Ų105131.1 Ų131.171%0.70986%0.86SS**  cis-172145.4-7-79.50000107.1
217G35.3Very low38.6Very low90 Ų90130.7 Ų130.793%0.92886%0.862SS**  trans48.1144.8148.900000120.5
218G37.2Very low38.3Very low78 Ų78134.2 Ų134.280%0.80487%0.873SS**  cis150.8140.210.800000106.9
219G40.6Very low38.2Very low80 Ų80134.3 Ų134.383%0.82588%0.875SS**  trans84.8117.4156.300000119
220N38.3Very low38.3Very low249 Ų249129 Ų129100%1.33287%0.872SS**  trans59.70159-94.513.9000119.8

Retrieved 220 of 220 residues in 582.9 ms (Link to these results)

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