A0A3B3VYC0_9TELE Loading...

Protein lin-28 homolog A

AlphaFold DB , UniProt , Accession A0A3B3VYC0, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 202 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M49.6Very low49.4Very low253 Ų253144.2 Ų144.2100%1.24684%0.84SS**  01230-77.4155.2146.400107.4
2G42.3Very low49.3Very low68 Ų68143.3 Ų143.370%0.70184%0.837SS**  trans90.596.4-177.900000112.4
3S48.8Very low49Very low116 Ų116141.3 Ų141.381%0.81183%0.834SS**  60.7118.966.4-45.90000109.7
4V54.6Low48.5Very low130 Ų130145.1 Ų145.179%0.78883%0.834SS**  -167.9133.150.2-770000109.5
5S56.5Low48.2Very low113 Ų113143.4 Ų143.479%0.7983%0.828SS**  77.3116.9111.5-65.20000119.5
6N44.9Very low48.3Very low154 Ų154146.4 Ų146.482%0.82483%0.832SS**  trans-27.9141157.6-69.11.8000116.2
7Q54Low48.3Very low196 Ų196144.1 Ų144.192%0.91682%0.821SS**  trans-127.999.6154-68.3-178.674.400108.4
8E52.2Low48.2Very low160 Ų160144.9 Ų144.975%0.74882%0.823SS**  trans-114.2143147.8-74.8-174.387.100106.3
9F46.3Very low48.4Very low202 Ų202146.5 Ų146.589%0.88682%0.822SS**  trans167.9158.3130.7-80.5-48.8000112
10P55.6Low48.1Very low124 Ų124141.6 Ų141.681%0.80581%0.807SS**  trans-102.6178-153.941.1-34.6000113.7
11G39.1Very low48.3Very low70 Ų70140.8 Ų140.872%0.72281%0.807SS**  trans124.3147166.700000111.5
12V48.3Very low47.6Very low134 Ų134134.1 Ų134.181%0.81279%0.785SS**  cis-166.9149.110.3128.50000105
13C44.4Very low47.8Very low117 Ų117136.1 Ų136.179%0.79178%0.784SS**  trans-53135.5170.2-53.20000111.9
14K42.8Very low48.1Very low194 Ų194139.9 Ų139.984%0.84379%0.789SS**  trans-135.397.1150.8-79.7-168.5166.8178.90109.6E16K14-E16 PolarHBondContact O-N 2.85Å
15T44Very low48Very low120 Ų120141 Ų14174%0.73679%0.785SS**  trans-57.1116.6154.3-49.40000107.4V17T15-V17 VanDerWaalsContact C-N 3.32Å; T15-V17 HydrophobicContact CG2-CG2 3.83Å; T15-V17 PolarHBondContact O-N 3.49Å; T15-V17 VanDerWaalsContact O-N 3.11Å
16E49.4Very low47.7Very low192 Ų192143.1 Ų143.190%0.89779%0.788SS**  trans-78.491.5167-57.6-172.8127.600106.5K14 D18K14-E16 PolarHBondContact O-N 2.85Å; E16-D18 PolarHBondContact O-N 2.87Å
17V47.8Very low48.5Very low106 Ų106138.6 Ų138.664%0.64277%0.766SS**  trans-79.6105.4162.3179.80000105.3T15 E19T15-V17 VanDerWaalsContact C-N 3.32Å; T15-V17 HydrophobicContact CG2-CG2 3.83Å; T15-V17 PolarHBondContact O-N 3.49Å; T15-V17 VanDerWaalsContact O-N 3.11Å; V17-E19 VanDerWaalsContact C-N 3.29Å; V17-E19 HydrophobicContact CG1-CG 4.43Å; V17-E19 PolarHBondContact O-N 2.96Å
18D47.8Very low49.7Very low160 Ų160135.6 Ų135.686%0.85675%0.752SS**  trans-69.291.4168.2-168.6-119.9000108E16 G20E16-D18 PolarHBondContact O-N 2.87Å; D18-G20 PolarHBondContact O-N 3.06Å; D18-G20 VanDerWaalsContact O-N 3.12Å
19E51.9Low51.4Low174 Ų174131 Ų13181%0.81374%0.737SS**  trans-68.989.8165.9-83.7-100104.900108.9V17V17-E19 VanDerWaalsContact C-N 3.29Å; V17-E19 HydrophobicContact CG1-CG 4.43Å; V17-E19 PolarHBondContact O-N 2.96Å
20G41.5Very low53.5Low49 Ų49122.7 Ų122.751%0.50570%0.701SS.*  trans-84.4124.916000000110.1D18 S22D18-G20 PolarHBondContact O-N 3.06Å; D18-G20 VanDerWaalsContact O-N 3.12Å; G20-S22 PolarHBondContact O-N 2.87Å
21P51.7Low55.3Low124 Ų124120.9 Ų120.981%0.80568%0.681SS**  trans-75.892.2174.831.3-31.2000108.6T23P21-T23 VanDerWaalsContact C-N 3.31Å; P21-T23 PolarHBondContact O-N 3.07Å
22S36.7Very low57.9Low113 Ų113117.6 Ų117.679%0.7965%0.647SS**  trans-80.685.6171.262.20000109.4G20 E24G20-S22 PolarHBondContact O-N 2.87Å; S22-E24 PolarHBondContact O-N 3.01Å
23T46.6Very low60.1Low110 Ų110112.8 Ų112.868%0.67562%0.619SS**  trans30.291.6153-44.90000115.6P21 E25P21-T23 VanDerWaalsContact C-N 3.31Å; P21-T23 PolarHBondContact O-N 3.07Å; T23-E25 HydrophobicContact CG2-CB 4.49Å; T23-E25 HydrophobicContact CG2-CG 4.08Å; T23-E25 PolarHBondContact O-N 3.43Å
24E54.4Low62.5Low196 Ų196107.5 Ų107.592%0.91658%0.584SS**  trans-57.376.615455.3-164.1113.600111.6S22S22-E24 PolarHBondContact O-N 3.01Å
25E51.6Low65Low153 Ų153100.9 Ų100.972%0.71556%0.56SS**  trans-102.998.5153.7-84-164.596.600107.1T23 T27T23-E25 HydrophobicContact CG2-CB 4.49Å; T23-E25 HydrophobicContact CG2-CG 4.08Å; T23-E25 PolarHBondContact O-N 3.43Å; E25-T27 PolarHBondContact O-N 2.89Å; E25-T27 PolarHBondContact O-OG1 2.97Å
26D51.2Low67.5Low158 Ų15895.2 Ų95.285%0.84553%0.526SS*.  trans-61.672.8168.2-170.2-111.6000109.4Q28D26-Q28 PolarHBondContact O-N 3.5Å
27T62.1Low69.7Low59 Ų5990.4 Ų90.436%0.36250%0.502SS..  trans-8296.4171.6-55.20000105.3E25 S29 K90E25-T27 PolarHBondContact O-N 2.89Å; E25-T27 PolarHBondContact O-OG1 2.97Å; T27-S29 PolarHBondContact O-N 3.19Å; T27-S29 PolarHBondContact O-OG 3.4Å; T27-K90 HydrophobicContact CG2-CB 4.11Å; T27-K90 HydrophobicContact CG2-CD 3.76Å
28Q78.4Confident71.9Confident133 Ų13390 Ų9062%0.62149%0.489SS*.  trans-40.9102179.7-149.8175.59.200111.1D26 F30D26-Q28 PolarHBondContact O-N 3.5Å; Q28-F30 HydrophobicContact CB-CE2 4.11Å; Q28-F30 HydrophobicContact CB-CZ 4.34Å; Q28-F30 VanDerWaalsContact CD-CZ 3.47Å; Q28-F30 HydrophobicContact CG-CE1 4.31Å; Q28-F30 HydrophobicContact CG-CE2 3.85Å; Q28-F30 HydrophobicContact CG-CZ 3.59Å
29S87Confident74.2Confident62 Ų6283.6 Ų83.643%0.43445%0.453SS..EExtended strand (participates in β ladder)trans-104.9117.8-174.6-64.60000107.6T27 Q99T27-S29 PolarHBondContact O-N 3.19Å; T27-S29 PolarHBondContact O-OG 3.4Å; S29-Q99 PolarHBondContact OG-NE2 3.37Å
30F91Very high76.2Confident29 Ų2978.2 Ų78.213%0.12743%0.43CS..EExtended strand (participates in β ladder)trans-99.5151-178.2-62.6-84.3000110.1Q28 E54 T88 F89Q28-F30 HydrophobicContact CB-CE2 4.11Å; Q28-F30 HydrophobicContact CB-CZ 4.34Å; Q28-F30 VanDerWaalsContact CD-CZ 3.47Å; Q28-F30 HydrophobicContact CG-CE1 4.31Å; Q28-F30 HydrophobicContact CG-CE2 3.85Å; Q28-F30 HydrophobicContact CG-CZ 3.59Å; F30-E54 WeakPolarHBondContact CD1-OE1 3.27Å; F30-T88 CarbonylContact O-C 3.57Å; F30-T88 VanDerWaalsContact O-CA 3.24Å; F30-T88 WeakPolarHBondContact O-CA 3.25Å; F30-F89 HydrophobicContact CB-CD1 4.12Å; F30-F89 HydrophobicContact CB-CD2 4.21Å; F30-F89 HydrophobicContact CB-CE1 3.6Å; F30-F89 HydrophobicContact CB-CE2 3.7Å; F30-F89 HydrophobicContact CB-CG 4.41Å; F30-F89 HydrophobicContact CB-CZ 3.38Å; F30-F89 HydrophobicContact CD2-CE2 4.13Å; F30-F89 HydrophobicContact CG-CE2 4.17Å; F30-F89 HydrophobicContact CG-CZ 4.14Å; F30-F89 PolarHBondContact N-O 3.16Å; F30-F89 WeakPolarHBondContact O-CD1 3.39Å; F30-F89 PolarHBondContact O-N 2.94Å
31H93.3Very high78.6Confident86 Ų8677.3 Ų77.340%0.39842%0.415SS..EExtended strand (participates in β ladder)trans-99.6139.6172.6-174.573.2000110.8E54 F87H31-E54 PolarHBondContact O-N 3.19Å; H31-F87 PolarHBondContact ND1-O 3.24Å
32G93.6Very high80.3Confident0 Ų082.7 Ų82.70%042%0.419CS..EExtended strand (participates in β ladder)trans-146.9158.8178.600000112N52 F87G32-N52 CarbonylContact C-O 3.49Å; G32-N52 VanDerWaalsContact CA-O 3.27Å; G32-N52 WeakPolarHBondContact CA-O 3.28Å; G32-F87 PolarHBondContact N-O 2.83Å; G32-F87 PolarHBondContact O-N 2.95Å; G32-F87 VanDerWaalsContact O-O 3.04Å
33S95.3Very high82.9Confident33 Ų3382.9 Ų82.923%0.23141%0.409CS..EExtended strand (participates in β ladder)trans-131.2153171.567.10000109.4T51 N52 V85S33-T51 PolarHBondContact O-N 2.72Å; S33-T51 PolarHBondContact O-OG1 3.18Å; S33-N52 PolarHBondContact N-O 3.47Å; S33-N52 PolarHBondContact O-N 2.78Å; S33-N52 WeakPolarHBondContact OG-CB 3.47Å; S33-N52 PolarHBondContact OG-ND2 3.27Å; S33-V85 WeakPolarHBondContact CA-O 3.24Å
34G94.9Very high85.1Confident6 Ų677.6 Ų77.66%0.06238%0.376CS..EExtended strand (participates in β ladder)trans178.1-155-178.300000112.1S49 V85G34-S49 CarbonylContact C-O 3.48Å; G34-S49 VanDerWaalsContact CA-O 3.23Å; G34-S49 WeakPolarHBondContact CA-O 3.44Å; G34-V85 PolarHBondContact N-O 3.16Å; G34-V85 PolarHBondContact O-N 3.16Å
35V95.5Very high87.1Confident56 Ų5671 Ų7134%0.33935%0.345SS..EExtended strand (participates in β ladder)trans-125.2150-179.4-650000111K37 L48 S49 E83V35-K37 PolarHBondContact O-N 2.94Å; V35-L48 CarbonylContact O-C 3.58Å; V35-L48 WeakPolarHBondContact O-CA 3.35Å; V35-S49 PolarHBondContact N-O 2.86Å; V35-S49 PolarHBondContact O-N 3.3Å; V35-E83 CarbonylContact C-O 3.58Å; V35-E83 VanDerWaalsContact CA-O 3.25Å; V35-E83 WeakPolarHBondContact CA-O 3.2Å
36C95.9Very high89.2Confident1 Ų163.7 Ų63.71%0.00731%0.311CS..EExtended strand (participates in β ladder)trans-68.7117.2171.4-178.70000110.2L48 L79 K80 G82 E83C36-L48 HydrophobicContact CB-CD2 3.96Å; C36-L79 HydrophobicContact CB-CB 4.18Å; C36-L79 HydrophobicContact CB-CD1 4.27Å; C36-K80 VanDerWaalsContact CB-O 3.25Å; C36-K80 WeakPolarHBondContact CB-O 3.38Å; C36-G82 PolarHBondContact O-N 3.33Å; C36-E83 HydrophobicContact CB-CB 4.49Å; C36-E83 PolarHBondContact N-O 3.43Å
37K95.3Very high91.3Very high90 Ų9059 Ų5939%0.39128%0.283SS..EExtended strand (participates in β ladder)trans-73.3-48.5178.7-169.1-180-173.4160.80110.8V35 F47 D63 E81V35-K37 PolarHBondContact O-N 2.94Å; K37-F47 WeakPolarHBondContact CB-O 3.43Å; K37-F47 PolarHBondContact N-O 2.87Å; K37-D63 VanDerWaalsContact CD-OD1 3.31Å; K37-D63 WeakPolarHBondContact CD-OD1 3.32Å; K37-D63 IonicContact NZ-OD1 2.77Å; K37-D63 PolarHBondContact NZ-OD1 2.85Å; K37-D63 IonicContact NZ-OD2 2.72Å; K37-D63 PolarHBondContact NZ-OD2 2.89Å; K37-E81 WeakPolarHBondContact O-CG 3.26Å
38W94.6Very high92.9Very high98 Ų9856.2 Ų56.237%0.37127%0.266SS..EExtended strand (participates in β ladder)trans-164153.1172.158.1-95.5000109.9N40 F45 G46 F47W38-N40 HydrophobicContact CZ3-CB 4.27Å; W38-F45 HydrophobicContact CH2-CD2 4.07Å; W38-F45 AromaticContact CH2-CE2 3.83Å; W38-F45 HydrophobicContact CH2-CE2 3.83Å; W38-F45 HydrophobicContact CZ3-CD2 4.06Å; W38-F45 AromaticContact CZ3-CE2 3.99Å; W38-F45 HydrophobicContact CZ3-CE2 3.99Å; W38-G46 CarbonylContact O-C 3.59Å; W38-G46 WeakPolarHBondContact O-CA 3.45Å; W38-F47 HydrophobicContact CD2-CD2 4.47Å; W38-F47 AromaticContact CE2-CD2 3.55Å; W38-F47 AromaticContact CH2-CD2 3.61Å; W38-F47 HydrophobicContact CH2-CD2 3.61Å; W38-F47 AromaticContact CH2-CE2 3.81Å; W38-F47 HydrophobicContact CH2-CE2 3.81Å; W38-F47 AromaticContact CZ2-CD2 3.09Å; W38-F47 HydrophobicContact CZ2-CD2 3.09Å; W38-F47 AromaticContact CZ2-CE2 3.47Å; W38-F47 HydrophobicContact CZ2-CE2 3.47Å; W38-F47 VanDerWaalsContact CZ2-CE2 3.47Å; W38-F47 HydrophobicContact CZ2-CG 4.19Å; W38-F47 HydrophobicContact CZ3-CD2 4.47Å; W38-F47 PolarHBondContact N-O 2.85Å; W38-F47 AromaticContact NE1-CD2 3.96Å; W38-F47 PolarHBondContact O-N 3.48Å
39F95.6Very high93.8Very high26 Ų2650.8 Ų50.811%0.11424%0.242CC..EExtended strand (participates in β ladder)trans-139.8123.2176.4-170.7-92.4000111.1V41 V66 Q68 L71 L79F39-V41 HydrophobicContact CD1-CG2 4.03Å; F39-V41 PolarHBondContact O-N 2.77Å; F39-V66 HydrophobicContact CD2-CG1 4.39Å; F39-Q68 HydrophobicContact CZ-CB 4.12Å; F39-L71 HydrophobicContact CE2-CD1 3.98Å; F39-L71 HydrophobicContact CZ-CD1 4.02Å; F39-L79 HydrophobicContact CB-CB 4.03Å; F39-L79 HydrophobicContact CD2-CB 4.15Å; F39-L79 HydrophobicContact CD2-CD1 4.35Å; F39-L79 HydrophobicContact CD2-CG 4.49Å; F39-L79 HydrophobicContact CG-CB 4.06Å
40N93.9Very high94.2Very high61 Ų6148 Ų4833%0.32622%0.223SC..EExtended strand (participates in β ladder)trans-86.898.4174.7-170-35.8000109.8W38 R42 M43 G44 F45W38-N40 HydrophobicContact CZ3-CB 4.27Å; N40-R42 PolarHBondContact O-N 2.91Å; N40-R42 WeakPolarHBondContact OD1-CB 3.36Å; N40-R42 PolarHBondContact OD1-N 3.11Å; N40-M43 HydrophobicContact CB-CB 4.27Å; N40-M43 PolarHBondContact O-N 2.94Å; N40-M43 PolarHBondContact OD1-N 2.83Å; N40-M43 VanDerWaalsContact OD1-N 3.08Å; N40-G44 PolarHBondContact O-N 2.76Å; N40-F45 PolarHBondContact N-O 3.46Å
41V91.2Very high94.3Very high29 Ų2949.2 Ų49.218%0.17623%0.232CC..THydrogen-bonded Turntrans-58.2-31.4-179.4-176.40000113.5F39 F76 S112F39-V41 HydrophobicContact CD1-CG2 4.03Å; F39-V41 PolarHBondContact O-N 2.77Å; V41-F76 HydrophobicContact CG1-CE1 3.3Å; V41-F76 HydrophobicContact CG1-CZ 3.36Å; V41-S112 VanDerWaalsContact CG2-OG 3.28Å; V41-S112 WeakPolarHBondContact CG2-OG 3.26Å
42R88.4Confident94.3Very high238 Ų23847.5 Ų47.590%0.89823%0.226SC*.THydrogen-bonded Turntrans-77-38.3-179.6-179.6177.1174.7172-2.9111.8N40N40-R42 PolarHBondContact O-N 2.91Å; N40-R42 WeakPolarHBondContact OD1-CB 3.36Å; N40-R42 PolarHBondContact OD1-N 3.11Å
43M91.9Very high94.1Very high116 Ų11652.1 Ų52.157%0.57124%0.244SC*.THydrogen-bonded Turntrans-90.2-17.1-179.5-57.5-164.281.200113.2N40 F45N40-M43 HydrophobicContact CB-CB 4.27Å; N40-M43 PolarHBondContact O-N 2.94Å; N40-M43 PolarHBondContact OD1-N 2.83Å; N40-M43 VanDerWaalsContact OD1-N 3.08Å; M43-F45 HydrophobicContact CB-CD1 3.54Å; M43-F45 HydrophobicContact CB-CE1 3.25Å; M43-F45 HydrophobicContact CB-CG 4.49Å; M43-F45 HydrophobicContact CB-CZ 3.98Å; M43-F45 HydrophobicContact CE-CE1 3.72Å; M43-F45 HydrophobicContact CE-CZ 4.13Å; M43-F45 HydrophobicContact CG-CE1 3.99Å; M43-F45 HydrophobicContact CG-CZ 4.4Å; M43-F45 HydrophobicContact SD-CE1 3.57Å; M43-F45 VanDerWaalsContact SD-CE1 3.57Å; M43-F45 HydrophobicContact SD-CZ 3.57Å; M43-F45 VanDerWaalsContact SD-CZ 3.57Å
44G93.1Very high93.7Very high0 Ų056.3 Ų56.30%026%0.259CS..THydrogen-bonded Turntrans7526.6177.800000113.8N40 Q68N40-G44 PolarHBondContact O-N 2.76Å; G44-Q68 VanDerWaalsContact O-CB 3.26Å; G44-Q68 WeakPolarHBondContact O-CB 3.37Å; G44-Q68 WeakPolarHBondContact O-CG 3.49Å; G44-Q68 PolarHBondContact O-N 2.74Å
45F94.8Very high93.1Very high57 Ų5759.3 Ų59.325%0.2529%0.29CS..EExtended strand (participates in β ladder)trans-142.5162.1175.167-102.6000111.5W38 N40 M43 F65 V66W38-F45 HydrophobicContact CH2-CD2 4.07Å; W38-F45 AromaticContact CH2-CE2 3.83Å; W38-F45 HydrophobicContact CH2-CE2 3.83Å; W38-F45 HydrophobicContact CZ3-CD2 4.06Å; W38-F45 AromaticContact CZ3-CE2 3.99Å; W38-F45 HydrophobicContact CZ3-CE2 3.99Å; N40-F45 PolarHBondContact N-O 3.46Å; M43-F45 HydrophobicContact CB-CD1 3.54Å; M43-F45 HydrophobicContact CB-CE1 3.25Å; M43-F45 HydrophobicContact CB-CG 4.49Å; M43-F45 HydrophobicContact CB-CZ 3.98Å; M43-F45 HydrophobicContact CE-CE1 3.72Å; M43-F45 HydrophobicContact CE-CZ 4.13Å; M43-F45 HydrophobicContact CG-CE1 3.99Å; M43-F45 HydrophobicContact CG-CZ 4.4Å; M43-F45 HydrophobicContact SD-CE1 3.57Å; M43-F45 VanDerWaalsContact SD-CE1 3.57Å; M43-F45 HydrophobicContact SD-CZ 3.57Å; M43-F45 VanDerWaalsContact SD-CZ 3.57Å; F45-F65 HydrophobicContact CB-CE2 3.95Å; F45-F65 HydrophobicContact CB-CZ 3.99Å; F45-F65 HydrophobicContact CD2-CE2 4.17Å; F45-F65 HydrophobicContact CG-CE2 4.27Å; F45-V66 CarbonylContact C-O 3.58Å; F45-V66 VanDerWaalsContact CA-O 3.27Å; F45-V66 WeakPolarHBondContact CA-O 3.41Å; F45-V66 WeakPolarHBondContact CB-O 3.49Å
46G95.7Very high92.7Very high0 Ų061.2 Ų61.20%030%0.302CS..EExtended strand (participates in β ladder)trans-165.1-167.1-179.700000112.3W38 V66W38-G46 CarbonylContact O-C 3.59Å; W38-G46 WeakPolarHBondContact O-CA 3.45Å; G46-V66 VanDerWaalsContact C-CG1 3.4Å; G46-V66 PolarHBondContact N-O 3.39Å; G46-V66 WeakPolarHBondContact O-CG1 3.19Å; G46-V66 PolarHBondContact O-N 3.22Å
47F96.6Very high92.4Very high59 Ų5965.7 Ų65.726%0.25933%0.331SS..EExtended strand (participates in β ladder)trans-130.6144.3173.2-75.1-100.7000110.7K37 W38 D63 V64 F65K37-F47 WeakPolarHBondContact CB-O 3.43Å; K37-F47 PolarHBondContact N-O 2.87Å; W38-F47 HydrophobicContact CD2-CD2 4.47Å; W38-F47 AromaticContact CE2-CD2 3.55Å; W38-F47 AromaticContact CH2-CD2 3.61Å; W38-F47 HydrophobicContact CH2-CD2 3.61Å; W38-F47 AromaticContact CH2-CE2 3.81Å; W38-F47 HydrophobicContact CH2-CE2 3.81Å; W38-F47 AromaticContact CZ2-CD2 3.09Å; W38-F47 HydrophobicContact CZ2-CD2 3.09Å; W38-F47 AromaticContact CZ2-CE2 3.47Å; W38-F47 HydrophobicContact CZ2-CE2 3.47Å; W38-F47 VanDerWaalsContact CZ2-CE2 3.47Å; W38-F47 HydrophobicContact CZ2-CG 4.19Å; W38-F47 HydrophobicContact CZ3-CD2 4.47Å; W38-F47 PolarHBondContact N-O 2.85Å; W38-F47 AromaticContact NE1-CD2 3.96Å; W38-F47 PolarHBondContact O-N 3.48Å; F47-D63 HydrophobicContact CD1-CB 4.07Å; F47-V64 CarbonylContact C-O 3.48Å; F47-V64 WeakPolarHBondContact CA-O 3.42Å; F47-F65 HydrophobicContact CD1-CB 4.48Å; F47-F65 HydrophobicContact CE1-CB 4.11Å; F47-F65 HydrophobicContact CE1-CD2 4.33Å; F47-F65 HydrophobicContact CE2-CD2 4.07Å; F47-F65 AromaticContact CZ-CD2 3.92Å; F47-F65 HydrophobicContact CZ-CD2 3.92Å
48L96Very high92Very high0 Ų064.2 Ų64.20%033%0.327CS..EExtended strand (participates in β ladder)trans-104.7140.9171.6-51179.2000108.2V35 C36 D63 V64 V66 L79 V85 F87 V101V35-L48 CarbonylContact O-C 3.58Å; V35-L48 WeakPolarHBondContact O-CA 3.35Å; C36-L48 HydrophobicContact CB-CD2 3.96Å; L48-D63 CarbonylContact O-C 3.57Å; L48-D63 WeakPolarHBondContact O-CA 3.48Å; L48-V64 HydrophobicContact CB-CB 4.37Å; L48-V64 PolarHBondContact N-O 2.92Å; L48-V64 PolarHBondContact O-N 2.85Å; L48-V66 HydrophobicContact CD1-CB 4.2Å; L48-V66 HydrophobicContact CD1-CG1 4.49Å; L48-V66 HydrophobicContact CD2-CB 4.44Å; L48-V66 HydrophobicContact CD2-CG1 3.86Å; L48-V66 HydrophobicContact CG-CB 4.03Å; L48-V66 HydrophobicContact CG-CG1 3.83Å; L48-L79 HydrophobicContact CD2-CD1 3.61Å; L48-V85 HydrophobicContact CD1-CG2 4.11Å; L48-V85 HydrophobicContact CD2-CG2 4.02Å; L48-F87 HydrophobicContact CB-CE1 4.12Å; L48-F87 HydrophobicContact CB-CZ 4.33Å; L48-F87 HydrophobicContact CD1-CB 4.4Å; L48-F87 HydrophobicContact CD1-CD1 3.51Å; L48-F87 HydrophobicContact CD1-CD2 4.39Å; L48-F87 HydrophobicContact CD1-CE1 3.77Å; L48-F87 HydrophobicContact CD1-CG 3.84Å; L48-F87 HydrophobicContact CD1-CZ 4.32Å; L48-V101 HydrophobicContact CD1-CG1 4.14Å; L48-V101 HydrophobicContact CD1-CG2 4Å
49S95.9Very high91.6Very high19 Ų1968.1 Ų68.113%0.13336%0.355CS..EExtended strand (participates in β ladder)trans-96.2104171.3-177.90000107.4G34 V35 T51 P61G34-S49 CarbonylContact C-O 3.48Å; G34-S49 VanDerWaalsContact CA-O 3.23Å; G34-S49 WeakPolarHBondContact CA-O 3.44Å; V35-S49 PolarHBondContact N-O 2.86Å; V35-S49 PolarHBondContact O-N 3.3Å; S49-T51 PolarHBondContact O-N 2.77Å; S49-P61 WeakPolarHBondContact OG-CB 3.38Å
50M95.1Very high91.3Very high4 Ų474 Ų742%0.0238%0.383CS..EExtended strand (participates in β ladder)trans-77.1120.1-179.7-173.9172.353.900109.8N52 R53 L58 P61 V62 V64 F87 F89 L96M50-N52 WeakPolarHBondContact CG-O 3.49Å; M50-R53 HydrophobicContact CE-CB 4.41Å; M50-R53 HydrophobicContact SD-CB 4.13Å; M50-L58 HydrophobicContact CE-CD1 3.79Å; M50-L58 HydrophobicContact CG-CD1 3.97Å; M50-L58 HydrophobicContact SD-CD1 4.35Å; M50-P61 WeakPolarHBondContact O-CA 3.09Å; M50-V62 HydrophobicContact CB-CB 4.49Å; M50-V62 WeakPolarHBondContact CB-O 3.23Å; M50-V62 HydrophobicContact CE-CB 3.83Å; M50-V62 HydrophobicContact CE-CG1 4.37Å; M50-V62 HydrophobicContact CE-CG2 4.24Å; M50-V62 PolarHBondContact N-O 2.91Å; M50-V62 PolarHBondContact O-N 2.83Å; M50-V64 HydrophobicContact CB-CG2 4.11Å; M50-V64 HydrophobicContact CE-CG2 4.47Å; M50-F87 HydrophobicContact CB-CZ 3.87Å; M50-F87 HydrophobicContact CG-CE2 4.43Å; M50-F87 HydrophobicContact CG-CZ 3.92Å; M50-F87 HydrophobicContact SD-CE2 4.24Å; M50-F87 HydrophobicContact SD-CZ 4.34Å; M50-F89 HydrophobicContact CE-CE1 4.28Å; M50-F89 HydrophobicContact CE-CZ 3.95Å; M50-F89 HydrophobicContact SD-CD1 4.17Å; M50-F89 HydrophobicContact SD-CE1 3.41Å; M50-F89 WeakPolarHBondContact SD-CE1 3.33Å; M50-F89 HydrophobicContact SD-CZ 3.7Å; M50-L96 HydrophobicContact CE-CD1 4.26Å
51T94.3Very high91.1Very high54 Ų5474.4 Ų74.433%0.33139%0.389SS..EExtended strand (participates in β ladder)trans-103.5-27.2178.258.10000112.3S33 S49 L58S33-T51 PolarHBondContact O-N 2.72Å; S33-T51 PolarHBondContact O-OG1 3.18Å; S49-T51 PolarHBondContact O-N 2.77Å; T51-L58 PolarHBondContact O-N 3.46Å
52N92.3Very high91.2Very high51 Ų5175.4 Ų75.427%0.27340%0.395SS..EExtended strand (participates in β ladder)trans-130.4138.3174-45.3-86000110.5G32 S33 M50 V56 P57G32-N52 CarbonylContact C-O 3.49Å; G32-N52 VanDerWaalsContact CA-O 3.27Å; G32-N52 WeakPolarHBondContact CA-O 3.28Å; S33-N52 PolarHBondContact N-O 3.47Å; S33-N52 PolarHBondContact O-N 2.78Å; S33-N52 WeakPolarHBondContact OG-CB 3.47Å; S33-N52 PolarHBondContact OG-ND2 3.27Å; M50-N52 WeakPolarHBondContact CG-O 3.49Å; N52-V56 CarbonylContact C-O 3.55Å; N52-V56 VanDerWaalsContact CA-O 3.28Å; N52-V56 WeakPolarHBondContact CA-O 3.25Å; N52-P57 WeakPolarHBondContact OD1-CA 3.32Å
53R90.7Very high91.5Very high96 Ų9667.3 Ų67.336%0.36237%0.37SS..EExtended strand (participates in β ladder)trans-119122.4174178.3179.9-177.8-170.30.3108.9M50 G55 V56 L58 F89M50-R53 HydrophobicContact CE-CB 4.41Å; M50-R53 HydrophobicContact SD-CB 4.13Å; R53-G55 PolarHBondContact O-N 3.16Å; R53-V56 PolarHBondContact N-O 3.02Å; R53-V56 WeakPolarHBondContact O-CB 3.44Å; R53-V56 PolarHBondContact O-N 2.71Å; R53-L58 HydrophobicContact CB-CD1 3.91Å; R53-L58 HydrophobicContact CB-CG 4.34Å; R53-F89 HydrophobicContact CG-CZ 4.24Å
54E86.3Confident91.7Very high121 Ų12161.8 Ų61.857%0.56534%0.342SS*.THydrogen-bonded Turntrans5133.6179.5-59.5-175.7143.900113.6F30 H31 V56F30-E54 WeakPolarHBondContact CD1-OE1 3.27Å; H31-E54 PolarHBondContact O-N 3.19Å; E54-V56 VanDerWaalsContact C-N 3.32Å
55G81Confident91.8Very high69 Ų6965 Ų6571%0.71136%0.356SS*.THydrogen-bonded Turntrans83.8-1.6-177.900000115.3R53R53-G55 PolarHBondContact O-N 3.16Å
56V88.4Confident91.8Very high96 Ų9662.2 Ų62.258%0.58235%0.345SS*.EExtended strand (participates in β ladder)trans-95.8124.8174.6-174.50000109.6N52 R53 E54N52-V56 CarbonylContact C-O 3.55Å; N52-V56 VanDerWaalsContact CA-O 3.28Å; N52-V56 WeakPolarHBondContact CA-O 3.25Å; R53-V56 PolarHBondContact N-O 3.02Å; R53-V56 WeakPolarHBondContact O-CB 3.44Å; R53-V56 PolarHBondContact O-N 2.71Å; E54-V56 VanDerWaalsContact C-N 3.32Å
57P88.9Confident91.9Very high95 Ų9565.4 Ų65.462%0.61736%0.359SS*.EExtended strand (participates in β ladder)trans-66.7138.617427.7-32.4000110.3N52N52-P57 WeakPolarHBondContact OD1-CA 3.32Å
58L87.3Confident91.7Very high60 Ų6066 Ų6631%0.31436%0.363SS..EExtended strand (participates in β ladder)trans-97.1135.3176.5-69.7151.4000109.4M50 T51 R53 E60 V62M50-L58 HydrophobicContact CE-CD1 3.79Å; M50-L58 HydrophobicContact CG-CD1 3.97Å; M50-L58 HydrophobicContact SD-CD1 4.35Å; T51-L58 PolarHBondContact O-N 3.46Å; R53-L58 HydrophobicContact CB-CD1 3.91Å; R53-L58 HydrophobicContact CB-CG 4.34Å; L58-E60 VanDerWaalsContact C-N 3.28Å; L58-E60 PolarHBondContact O-N 2.8Å; L58-V62 HydrophobicContact CD1-CG2 4.43Å
59D85.4Confident91.6Very high180 Ų18069.4 Ų69.496%0.96339%0.387SS*.EExtended strand (participates in β ladder)trans-65.9-33.1172.8-73.9-45.7000112
60E89.7Confident91.6Very high149 Ų14972.4 Ų72.470%0.69640%0.397SS*.EExtended strand (participates in β ladder)trans-116.3125.8177.4-166.5176.6114.300111L58 V62L58-E60 VanDerWaalsContact C-N 3.28Å; L58-E60 PolarHBondContact O-N 2.8Å; E60-V62 PolarHBondContact O-N 2.93Å
61P90.2Very high91.5Very high69 Ų6972.3 Ų72.345%0.44840%0.397SS..EExtended strand (participates in β ladder)trans-66.8123.9176.524.2-30.8000111.1S49 M50S49-P61 WeakPolarHBondContact OG-CB 3.38Å; M50-P61 WeakPolarHBondContact O-CA 3.09Å
62V93Very high91.5Very high50 Ų5073 Ų7330%0.30340%0.396SS..EExtended strand (participates in β ladder)trans-96.2133.6-179.3-173.30000110.4M50 L58 E60 L96M50-V62 HydrophobicContact CB-CB 4.49Å; M50-V62 WeakPolarHBondContact CB-O 3.23Å; M50-V62 HydrophobicContact CE-CB 3.83Å; M50-V62 HydrophobicContact CE-CG1 4.37Å; M50-V62 HydrophobicContact CE-CG2 4.24Å; M50-V62 PolarHBondContact N-O 2.91Å; M50-V62 PolarHBondContact O-N 2.83Å; L58-V62 HydrophobicContact CD1-CG2 4.43Å; E60-V62 PolarHBondContact O-N 2.93Å; V62-L96 HydrophobicContact CG1-CD1 3.6Å
63D94.7Very high91.4Very high68 Ų6871.6 Ų71.636%0.36439%0.388SS..EExtended strand (participates in β ladder)trans-78.2124.3178.4-74.5-15.3000111.4K37 F47 L48K37-D63 VanDerWaalsContact CD-OD1 3.31Å; K37-D63 WeakPolarHBondContact CD-OD1 3.32Å; K37-D63 IonicContact NZ-OD1 2.77Å; K37-D63 PolarHBondContact NZ-OD1 2.85Å; K37-D63 IonicContact NZ-OD2 2.72Å; K37-D63 PolarHBondContact NZ-OD2 2.89Å; F47-D63 HydrophobicContact CD1-CB 4.07Å; L48-D63 CarbonylContact O-C 3.57Å; L48-D63 WeakPolarHBondContact O-CA 3.48Å
64V95.4Very high91.2Very high0 Ų074.9 Ų74.90%041%0.407CS..EExtended strand (participates in β ladder)trans-117.1124.9178-178.60000109.4F47 L48 M50 F87 F89 L96F47-V64 CarbonylContact C-O 3.48Å; F47-V64 WeakPolarHBondContact CA-O 3.42Å; L48-V64 HydrophobicContact CB-CB 4.37Å; L48-V64 PolarHBondContact N-O 2.92Å; L48-V64 PolarHBondContact O-N 2.85Å; M50-V64 HydrophobicContact CB-CG2 4.11Å; M50-V64 HydrophobicContact CE-CG2 4.47Å; V64-F87 HydrophobicContact CB-CE2 4.15Å; V64-F87 HydrophobicContact CB-CZ 4.47Å; V64-F87 HydrophobicContact CG1-CD2 4.39Å; V64-F87 HydrophobicContact CG1-CE2 4.03Å; V64-F87 HydrophobicContact CG2-CE2 3.9Å; V64-F87 HydrophobicContact CG2-CZ 4.22Å; V64-F89 HydrophobicContact CG1-CB 3.94Å; V64-L96 HydrophobicContact CB-CB 4.44Å; V64-L96 HydrophobicContact CG1-CB 4.26Å; V64-L96 HydrophobicContact CG2-CB 4.05Å; V64-L96 HydrophobicContact CG2-CD1 4.1Å
65F96.1Very high91.2Very high67 Ų6772.2 Ų72.229%0.29441%0.413SS..EExtended strand (participates in β ladder)trans-69.7132.8178.5177.3-104.9000110.9F45 F47 H67 L96 E97 S98F45-F65 HydrophobicContact CB-CE2 3.95Å; F45-F65 HydrophobicContact CB-CZ 3.99Å; F45-F65 HydrophobicContact CD2-CE2 4.17Å; F45-F65 HydrophobicContact CG-CE2 4.27Å; F47-F65 HydrophobicContact CD1-CB 4.48Å; F47-F65 HydrophobicContact CE1-CB 4.11Å; F47-F65 HydrophobicContact CE1-CD2 4.33Å; F47-F65 HydrophobicContact CE2-CD2 4.07Å; F47-F65 AromaticContact CZ-CD2 3.92Å; F47-F65 HydrophobicContact CZ-CD2 3.92Å; F65-H67 HydrophobicContact CE1-CB 4.24Å; F65-L96 WeakPolarHBondContact CB-O 3.08Å; F65-L96 PolarHBondContact N-O 2.83Å; F65-E97 HydrophobicContact CD1-CG 4.17Å; F65-S98 WeakPolarHBondContact O-CB 3.49Å; F65-S98 PolarHBondContact O-N 2.73Å; F65-S98 PolarHBondContact O-OG 2.88Å
66V95.8Very high91.6Very high0 Ų071.6 Ų71.60%039%0.391CS..EExtended strand (participates in β ladder)trans-125.2135176.657.90000111.8F39 F45 G46 L48 L71 L79 S98 V101F39-V66 HydrophobicContact CD2-CG1 4.39Å; F45-V66 CarbonylContact C-O 3.58Å; F45-V66 VanDerWaalsContact CA-O 3.27Å; F45-V66 WeakPolarHBondContact CA-O 3.41Å; F45-V66 WeakPolarHBondContact CB-O 3.49Å; G46-V66 VanDerWaalsContact C-CG1 3.4Å; G46-V66 PolarHBondContact N-O 3.39Å; G46-V66 WeakPolarHBondContact O-CG1 3.19Å; G46-V66 PolarHBondContact O-N 3.22Å; L48-V66 HydrophobicContact CD1-CB 4.2Å; L48-V66 HydrophobicContact CD1-CG1 4.49Å; L48-V66 HydrophobicContact CD2-CB 4.44Å; L48-V66 HydrophobicContact CD2-CG1 3.86Å; L48-V66 HydrophobicContact CG-CB 4.03Å; L48-V66 HydrophobicContact CG-CG1 3.83Å; V66-L71 HydrophobicContact CG2-CD2 4.37Å; V66-L71 HydrophobicContact CG2-CG 4.48Å; V66-L79 HydrophobicContact CG1-CD1 4.33Å; V66-L79 HydrophobicContact CG2-CD1 4.38Å; V66-S98 WeakPolarHBondContact CA-OG 3.35Å; V66-V101 HydrophobicContact CG2-CG2 3.8Å
67H95.9Very high91.7Very high67 Ų6771.6 Ų71.631%0.3138%0.38SS..EExtended strand (participates in β ladder)trans-112.5146.3173.3-174.4-100.8000110.8F65 S69 K70F65-H67 HydrophobicContact CE1-CB 4.24Å; H67-S69 WeakPolarHBondContact ND1-CB 3.37Å; H67-S69 PolarHBondContact ND1-N 2.87Å; H67-S69 PolarHBondContact ND1-OG 2.75Å; H67-S69 PolarHBondContact O-N 2.82Å; H67-S69 VanDerWaalsContact O-N 3.08Å; H67-K70 HydrophobicContact CB-CG 4.44Å; H67-K70 WeakPolarHBondContact O-CB 3.4Å; H67-K70 PolarHBondContact O-N 2.82Å
68Q93.9Very high91.9Very high72 Ų7267.2 Ų67.234%0.33635%0.352SS..G310 helixtrans-57-30.6-175.865167.319.500113.4F39 G44 K70 L71 R77F39-Q68 HydrophobicContact CZ-CB 4.12Å; G44-Q68 VanDerWaalsContact O-CB 3.26Å; G44-Q68 WeakPolarHBondContact O-CB 3.37Å; G44-Q68 WeakPolarHBondContact O-CG 3.49Å; G44-Q68 PolarHBondContact O-N 2.74Å; Q68-K70 PolarHBondContact O-N 3.48Å; Q68-L71 PolarHBondContact O-N 3.22Å; Q68-R77 HydrophobicContact CB-CB 4.26Å; Q68-R77 WeakPolarHBondContact O-CB 3.47Å; Q68-R77 WeakPolarHBondContact O-CD 3.06Å
69S93.9Very high92.2Very high71 Ų7164.5 Ų64.550%0.49734%0.338SS..G310 helixtrans-67.9-17.4-179.564.20000113.1H67H67-S69 WeakPolarHBondContact ND1-CB 3.37Å; H67-S69 PolarHBondContact ND1-N 2.87Å; H67-S69 PolarHBondContact ND1-OG 2.75Å; H67-S69 PolarHBondContact O-N 2.82Å; H67-S69 VanDerWaalsContact O-N 3.08Å
70K94.6Very high92.5Very high81 Ų8160.4 Ų60.435%0.35231%0.311SS..G310 helixtrans-94.8-6.4-178.2-50.8-50.9-161.2167.30112.9H67 Q68 Q99 V101H67-K70 HydrophobicContact CB-CG 4.44Å; H67-K70 WeakPolarHBondContact O-CB 3.4Å; H67-K70 PolarHBondContact O-N 2.82Å; Q68-K70 PolarHBondContact O-N 3.48Å; K70-Q99 WeakPolarHBondContact CB-O 3.47Å; K70-Q99 WeakPolarHBondContact CD-O 3.28Å; K70-V101 PolarHBondContact O-N 3.23Å
71L94.6Very high92.7Very high2 Ų260.3 Ų60.31%0.0131%0.311CS..BIsolated β-bridgetrans-77.9125.8179.1-72.4168.9000111.8F39 V66 Q68 M73 R77 L79 V101F39-L71 HydrophobicContact CE2-CD1 3.98Å; F39-L71 HydrophobicContact CZ-CD1 4.02Å; V66-L71 HydrophobicContact CG2-CD2 4.37Å; V66-L71 HydrophobicContact CG2-CG 4.48Å; Q68-L71 PolarHBondContact O-N 3.22Å; L71-M73 PolarHBondContact O-N 2.93Å; L71-R77 HydrophobicContact CB-CB 4.12Å; L71-R77 HydrophobicContact CD1-CB 4.15Å; L71-R77 PolarHBondContact O-NH1 3.28Å; L71-L79 HydrophobicContact CD1-CG 4.02Å; L71-L79 HydrophobicContact CD2-CD1 3.56Å; L71-L79 HydrophobicContact CD2-CD2 3.56Å; L71-L79 HydrophobicContact CD2-CG 3.41Å; L71-L79 VanDerWaalsContact CD2-CG 3.41Å; L71-L79 HydrophobicContact CG-CG 4.38Å; L71-V101 HydrophobicContact CD2-CB 3.87Å; L71-V101 HydrophobicContact CD2-CG1 3.8Å
72H92.5Very high92.9Very high68 Ų6859.6 Ų59.632%0.31532%0.316SS..  trans-83.590174.2-163.561.1000110.2R100 V101 T102 H108 C109H72-R100 PolarHBondContact NE2-NH2 3.08Å; H72-V101 VanDerWaalsContact CB-O 3.23Å; H72-V101 WeakPolarHBondContact CB-O 3.31Å; H72-V101 PolarHBondContact N-O 3.44Å; H72-T102 HydrophobicContact CB-CG2 3.56Å; H72-H108 WeakPolarHBondContact O-CA 3.47Å; H72-C109 PolarHBondContact O-N 3.08Å
73M90.8Very high92.9Very high23 Ų2358 Ų5811%0.11331%0.305CS..  trans-152.2157.7178-68.8-177.469.500109.7L71 R77 C109L71-M73 PolarHBondContact O-N 2.93Å; M73-R77 PolarHBondContact O-NH1 2.83Å; M73-C109 WeakPolarHBondContact CE-O 3.45Å; M73-C109 HydrophobicContact CG-CB 3.52Å; M73-C109 WeakPolarHBondContact CG-O 3.46Å; M73-C109 HydrophobicContact SD-CB 3.54Å; M73-C109 VanDerWaalsContact SD-CB 3.54Å
74E86.5Confident92.9Very high164 Ų16457.2 Ų57.277%0.76631%0.308SS*.SBendtrans-90.2147.7167.3-64.2-172.9168.400111.3
75G87.4Confident92.9Very high66 Ų6657.4 Ų57.468%0.6831%0.309SS*.SBendtrans74-126.1177.100000114.3R77G75-R77 PolarHBondContact O-N 2.94Å
76F87.4Confident92.9Very high56 Ų5657 Ų5725%0.24631%0.308CS..SBendtrans-87104.9-173-179.2-100.6000110.6V41 S78 R115 P116V41-F76 HydrophobicContact CG1-CE1 3.3Å; V41-F76 HydrophobicContact CG1-CZ 3.36Å; F76-S78 PolarHBondContact O-N 2.82Å; F76-R115 HydrophobicContact CD1-CG 4.27Å; F76-P116 HydrophobicContact CE2-CG 4.41Å; F76-P116 HydrophobicContact CZ-CG 4.06Å
77R91.5Very high92.9Very high96 Ų9657 Ų5736%0.36231%0.308SS..  trans-74.5112-173.8-59.5179.4-163.8-79.3-9.6110.7Q68 L71 M73 G75Q68-R77 HydrophobicContact CB-CB 4.26Å; Q68-R77 WeakPolarHBondContact O-CB 3.47Å; Q68-R77 WeakPolarHBondContact O-CD 3.06Å; L71-R77 HydrophobicContact CB-CB 4.12Å; L71-R77 HydrophobicContact CD1-CB 4.15Å; L71-R77 PolarHBondContact O-NH1 3.28Å; M73-R77 PolarHBondContact O-NH1 2.83Å; G75-R77 PolarHBondContact O-N 2.94Å
78S93.2Very high92.8Very high3 Ų356 Ų562%0.02131%0.307CS..  trans-149.5168.3174.857.40000109.9F76 G111 S112F76-S78 PolarHBondContact O-N 2.82Å; S78-G111 WeakPolarHBondContact O-CA 3.43Å; S78-S112 PolarHBondContact OG-N 3.46Å; S78-S112 PolarHBondContact OG-OG 3.11Å
79L93.3Very high92.8Very high3 Ų352.7 Ų52.72%0.01629%0.291CS..  trans-122.6149172.6-74.5172.1000110.4C36 F39 L48 V66 L71 V85 C109C36-L79 HydrophobicContact CB-CB 4.18Å; C36-L79 HydrophobicContact CB-CD1 4.27Å; F39-L79 HydrophobicContact CB-CB 4.03Å; F39-L79 HydrophobicContact CD2-CB 4.15Å; F39-L79 HydrophobicContact CD2-CD1 4.35Å; F39-L79 HydrophobicContact CD2-CG 4.49Å; F39-L79 HydrophobicContact CG-CB 4.06Å; L48-L79 HydrophobicContact CD2-CD1 3.61Å; V66-L79 HydrophobicContact CG1-CD1 4.33Å; V66-L79 HydrophobicContact CG2-CD1 4.38Å; L71-L79 HydrophobicContact CD1-CG 4.02Å; L71-L79 HydrophobicContact CD2-CD1 3.56Å; L71-L79 HydrophobicContact CD2-CD2 3.56Å; L71-L79 HydrophobicContact CD2-CG 3.41Å; L71-L79 VanDerWaalsContact CD2-CG 3.41Å; L71-L79 HydrophobicContact CG-CG 4.38Å; L79-V85 HydrophobicContact CD2-CG1 3.95Å; L79-C109 HydrophobicContact CD2-CB 3.76Å
80K92.8Very high92.8Very high93 Ų9352.4 Ų52.440%0.40428%0.281SS..  trans-89.3139.7168.8179.6174.1175.7169.30109.5C36 G82 E83 E113C36-K80 VanDerWaalsContact CB-O 3.25Å; C36-K80 WeakPolarHBondContact CB-O 3.38Å; K80-G82 PolarHBondContact O-N 2.85Å; K80-E83 HydrophobicContact CB-CB 4.22Å; K80-E83 PolarHBondContact N-OE2 2.67Å; K80-E83 WeakPolarHBondContact O-CB 3.34Å; K80-E83 PolarHBondContact O-N 3.29Å; K80-E83 VanDerWaalsContact O-N 3.11Å; K80-E113 IonicContact NZ-OE1 2.77Å; K80-E113 PolarHBondContact NZ-OE1 3.18Å
81E93.6Very high92.7Very high147 Ų14756.7 Ų56.769%0.68730%0.3SS*.THydrogen-bonded Turntrans-59.9132.9172.3-179175.4173.100110.6K37 E83K37-E81 WeakPolarHBondContact O-CG 3.26Å; E81-E83 VanDerWaalsContact C-N 3.28Å; E81-E83 PolarHBondContact O-N 2.8Å
82G93.3Very high92.5Very high54 Ų5458.7 Ų58.756%0.55731%0.314SS*.THydrogen-bonded Turntrans77.64.3-174.900000115.1C36 K80C36-G82 PolarHBondContact O-N 3.33Å; K80-G82 PolarHBondContact O-N 2.85Å
83E93.8Very high92.4Very high18 Ų1861.8 Ų61.88%0.08434%0.343CS..  trans-69.5130.4175.9-173.7-179.3155.700111.2V35 C36 K80 E81 V85 C109 V110 G111V35-E83 CarbonylContact C-O 3.58Å; V35-E83 VanDerWaalsContact CA-O 3.25Å; V35-E83 WeakPolarHBondContact CA-O 3.2Å; C36-E83 HydrophobicContact CB-CB 4.49Å; C36-E83 PolarHBondContact N-O 3.43Å; K80-E83 HydrophobicContact CB-CB 4.22Å; K80-E83 PolarHBondContact N-OE2 2.67Å; K80-E83 WeakPolarHBondContact O-CB 3.34Å; K80-E83 PolarHBondContact O-N 3.29Å; K80-E83 VanDerWaalsContact O-N 3.11Å; E81-E83 VanDerWaalsContact C-N 3.28Å; E81-E83 PolarHBondContact O-N 2.8Å; E83-V85 HydrophobicContact CG-CG1 4.39Å; E83-C109 WeakPolarHBondContact OE1-CA 3.45Å; E83-C109 VanDerWaalsContact OE1-CB 3.26Å; E83-C109 WeakPolarHBondContact OE1-CB 2.99Å; E83-V110 HydrophobicContact CG-CB 4.43Å; E83-V110 HydrophobicContact CG-CG2 4.3Å; E83-V110 PolarHBondContact OE1-N 3.19Å; E83-G111 PolarHBondContact OE2-N 3.37Å; E83-G111 VanDerWaalsContact OE2-N 3.16Å
84A94.7Very high92.2Very high51 Ų5170.7 Ų70.742%0.42138%0.381SS..EExtended strand (participates in β ladder)trans-70.4129.8174.200000110.5P104A84-P104 WeakPolarHBondContact O-CD 3.5Å
85V95.6Very high92.5Very high4 Ų464.6 Ų64.62%0.02436%0.362CS..EExtended strand (participates in β ladder)trans-139.5146.5-175.5-680000111.4S33 G34 L48 L79 E83 F87 V101 T102S33-V85 WeakPolarHBondContact CA-O 3.24Å; G34-V85 PolarHBondContact N-O 3.16Å; G34-V85 PolarHBondContact O-N 3.16Å; L48-V85 HydrophobicContact CD1-CG2 4.11Å; L48-V85 HydrophobicContact CD2-CG2 4.02Å; L79-V85 HydrophobicContact CD2-CG1 3.95Å; E83-V85 HydrophobicContact CG-CG1 4.39Å; V85-F87 HydrophobicContact CG2-CD1 3.94Å; V85-F87 HydrophobicContact CG2-CE1 4.12Å; V85-V101 HydrophobicContact CB-CG1 4.05Å; V85-V101 HydrophobicContact CG1-CG1 4.15Å; V85-T102 CarbonylContact C-O 3.51Å; V85-T102 WeakPolarHBondContact CA-O 3.1Å; V85-T102 WeakPolarHBondContact CB-O 3.39Å
86E95.6Very high92.8Very high57 Ų5763.4 Ų63.427%0.26634%0.34SS..EExtended strand (participates in β ladder)trans-111.3138.3168.4-72.5172.4-164.200108.2T102 P104 G105E86-T102 PolarHBondContact N-O 3.4Å; E86-T102 PolarHBondContact O-N 3.23Å; E86-T102 VanDerWaalsContact O-O 3.04Å; E86-T102 PolarHBondContact O-OG1 2.97Å; E86-P104 WeakPolarHBondContact OE1-CA 3.48Å; E86-G105 VanDerWaalsContact CD-N 3.34Å; E86-G105 PolarHBondContact OE1-N 3.33Å; E86-G105 PolarHBondContact OE2-N 2.8Å
87F95.4Very high93.1Very high2 Ų263 Ų631%0.00934%0.339CS..EExtended strand (participates in β ladder)trans-151.8153.7-175.653.5-90.6000112.7H31 G32 L48 M50 V64 V85 F89 R100 V101H31-F87 PolarHBondContact ND1-O 3.24Å; G32-F87 PolarHBondContact N-O 2.83Å; G32-F87 PolarHBondContact O-N 2.95Å; G32-F87 VanDerWaalsContact O-O 3.04Å; L48-F87 HydrophobicContact CB-CE1 4.12Å; L48-F87 HydrophobicContact CB-CZ 4.33Å; L48-F87 HydrophobicContact CD1-CB 4.4Å; L48-F87 HydrophobicContact CD1-CD1 3.51Å; L48-F87 HydrophobicContact CD1-CD2 4.39Å; L48-F87 HydrophobicContact CD1-CE1 3.77Å; L48-F87 HydrophobicContact CD1-CG 3.84Å; L48-F87 HydrophobicContact CD1-CZ 4.32Å; M50-F87 HydrophobicContact CB-CZ 3.87Å; M50-F87 HydrophobicContact CG-CE2 4.43Å; M50-F87 HydrophobicContact CG-CZ 3.92Å; M50-F87 HydrophobicContact SD-CE2 4.24Å; M50-F87 HydrophobicContact SD-CZ 4.34Å; V64-F87 HydrophobicContact CB-CE2 4.15Å; V64-F87 HydrophobicContact CB-CZ 4.47Å; V64-F87 HydrophobicContact CG1-CD2 4.39Å; V64-F87 HydrophobicContact CG1-CE2 4.03Å; V64-F87 HydrophobicContact CG2-CE2 3.9Å; V64-F87 HydrophobicContact CG2-CZ 4.22Å; V85-F87 HydrophobicContact CG2-CD1 3.94Å; V85-F87 HydrophobicContact CG2-CE1 4.12Å; F87-F89 HydrophobicContact CD2-CB 4.23Å; F87-F89 AromaticContact CD2-CD1 3.97Å; F87-F89 HydrophobicContact CD2-CD1 3.97Å; F87-F89 HydrophobicContact CE2-CB 4.45Å; F87-F89 AromaticContact CE2-CD1 3.79Å; F87-F89 HydrophobicContact CE2-CD1 3.79Å; F87-F89 HydrophobicContact CE2-CE1 4.48Å; F87-F89 HydrophobicContact CE2-CG 4.41Å; F87-R100 CarbonylContact C-O 3.52Å; F87-R100 WeakPolarHBondContact CA-O 3.35Å; F87-R100 WeakPolarHBondContact CB-O 3.39Å; F87-V101 HydrophobicContact CB-CB 4.24Å; F87-V101 HydrophobicContact CB-CG1 4.35Å; F87-V101 HydrophobicContact CB-CG2 3.82Å
88T94.7Very high93.3Very high45 Ų4558.5 Ų58.528%0.27632%0.322SS..EExtended strand (participates in β ladder)trans-98.2139163.852.10000108.9F30 S98 Q99 R100F30-T88 CarbonylContact O-C 3.57Å; F30-T88 VanDerWaalsContact O-CA 3.24Å; F30-T88 WeakPolarHBondContact O-CA 3.25Å; T88-S98 CarbonylContact O-C 3.58Å; T88-S98 WeakPolarHBondContact O-CA 3.39Å; T88-Q99 PolarHBondContact O-N 2.83Å; T88-R100 PolarHBondContact N-O 3.5Å; T88-R100 PolarHBondContact O-N 3.28Å; T88-R100 PolarHBondContact OG1-N 2.88Å
89F94.4Very high93.4Very high2 Ų261.5 Ų61.51%0.00934%0.336CS..EExtended strand (participates in β ladder)trans-134.9154.8-179.868-86.4000111.2F30 M50 R53 V64 F87 L96 E97F30-F89 HydrophobicContact CB-CD1 4.12Å; F30-F89 HydrophobicContact CB-CD2 4.21Å; F30-F89 HydrophobicContact CB-CE1 3.6Å; F30-F89 HydrophobicContact CB-CE2 3.7Å; F30-F89 HydrophobicContact CB-CG 4.41Å; F30-F89 HydrophobicContact CB-CZ 3.38Å; F30-F89 HydrophobicContact CD2-CE2 4.13Å; F30-F89 HydrophobicContact CG-CE2 4.17Å; F30-F89 HydrophobicContact CG-CZ 4.14Å; F30-F89 PolarHBondContact N-O 3.16Å; F30-F89 WeakPolarHBondContact O-CD1 3.39Å; F30-F89 PolarHBondContact O-N 2.94Å; M50-F89 HydrophobicContact CE-CE1 4.28Å; M50-F89 HydrophobicContact CE-CZ 3.95Å; M50-F89 HydrophobicContact SD-CD1 4.17Å; M50-F89 HydrophobicContact SD-CE1 3.41Å; M50-F89 WeakPolarHBondContact SD-CE1 3.33Å; M50-F89 HydrophobicContact SD-CZ 3.7Å; R53-F89 HydrophobicContact CG-CZ 4.24Å; V64-F89 HydrophobicContact CG1-CB 3.94Å; F87-F89 HydrophobicContact CD2-CB 4.23Å; F87-F89 AromaticContact CD2-CD1 3.97Å; F87-F89 HydrophobicContact CD2-CD1 3.97Å; F87-F89 HydrophobicContact CE2-CB 4.45Å; F87-F89 AromaticContact CE2-CD1 3.79Å; F87-F89 HydrophobicContact CE2-CD1 3.79Å; F87-F89 HydrophobicContact CE2-CE1 4.48Å; F87-F89 HydrophobicContact CE2-CG 4.41Å; F89-L96 HydrophobicContact CD2-CB 4.23Å; F89-L96 HydrophobicContact CD2-CD1 4.23Å; F89-L96 HydrophobicContact CD2-CD2 3.94Å; F89-L96 HydrophobicContact CD2-CG 4.36Å; F89-L96 HydrophobicContact CE2-CD1 3.97Å; F89-L96 HydrophobicContact CE2-CD2 3.92Å; F89-L96 HydrophobicContact CE2-CG 4.43Å; F89-E97 CarbonylContact C-O 3.55Å; F89-E97 WeakPolarHBondContact CA-O 3.17Å; F89-E97 WeakPolarHBondContact CB-O 3.2Å
90K93.8Very high93.4Very high65 Ų6567 Ų6728%0.28336%0.357SS..EExtended strand (participates in β ladder)trans-122.6158.2172.457.1171.5-177.8178.10110.6T27 E97 Q99T27-K90 HydrophobicContact CG2-CB 4.11Å; T27-K90 HydrophobicContact CG2-CD 3.76Å; K90-E97 PolarHBondContact N-O 2.84Å; K90-E97 PolarHBondContact O-N 3.07Å; K90-Q99 HydrophobicContact CB-CG 4.46Å; K90-Q99 HydrophobicContact CD-CG 4.28Å; K90-Q99 HydrophobicContact CG-CG 4Å
91K91.8Very high93.6Very high171 Ų17162.6 Ų62.674%0.74334%0.338SS*.EExtended strand (participates in β ladder)trans-80.3122.9167.5-167172.8-178176.80108.9L96K91-L96 HydrophobicContact CB-CD2 4.45Å
92S90.1Very high93.7Very high44 Ų4456 Ų5631%0.30831%0.307SS..EExtended strand (participates in β ladder)trans-120.1169.4178.4-171.60000109.6K94 G95S92-K94 PolarHBondContact O-N 3.08Å; S92-K94 VanDerWaalsContact O-N 3.08Å; S92-G95 WeakPolarHBondContact CA-O 3.42Å; S92-G95 WeakPolarHBondContact CB-O 3.23Å; S92-G95 PolarHBondContact N-O 2.77Å; S92-G95 PolarHBondContact O-N 3.37Å; S92-G95 VanDerWaalsContact O-N 3.07Å
93S90.1Very high93.7Very high133 Ų13353.5 Ų53.593%0.9328%0.282SS*.THydrogen-bonded Turntrans-60-21.9179.3-45.40000113.2
94K87.9Confident93.6Very high210 Ų21056 Ų5691%0.91330%0.3SS*.THydrogen-bonded Turntrans-98.73.4-179.9-64-176179176.90114.1S92S92-K94 PolarHBondContact O-N 3.08Å; S92-K94 VanDerWaalsContact O-N 3.08Å
95G91.3Very high93.3Very high36 Ų3656.9 Ų56.937%0.37131%0.313SS..EExtended strand (participates in β ladder)trans116.2-156.4-173.800000112.6S92S92-G95 WeakPolarHBondContact CA-O 3.42Å; S92-G95 WeakPolarHBondContact CB-O 3.23Å; S92-G95 PolarHBondContact N-O 2.77Å; S92-G95 PolarHBondContact O-N 3.37Å; S92-G95 VanDerWaalsContact O-N 3.07Å
96L94.2Very high93Very high42 Ų4258.3 Ų58.322%0.2233%0.328CS..EExtended strand (participates in β ladder)trans-80.1128.6179.6-58.2-178000110.5M50 V62 V64 F65 F89 K91M50-L96 HydrophobicContact CE-CD1 4.26Å; V62-L96 HydrophobicContact CG1-CD1 3.6Å; V64-L96 HydrophobicContact CB-CB 4.44Å; V64-L96 HydrophobicContact CG1-CB 4.26Å; V64-L96 HydrophobicContact CG2-CB 4.05Å; V64-L96 HydrophobicContact CG2-CD1 4.1Å; F65-L96 WeakPolarHBondContact CB-O 3.08Å; F65-L96 PolarHBondContact N-O 2.83Å; F89-L96 HydrophobicContact CD2-CB 4.23Å; F89-L96 HydrophobicContact CD2-CD1 4.23Å; F89-L96 HydrophobicContact CD2-CD2 3.94Å; F89-L96 HydrophobicContact CD2-CG 4.36Å; F89-L96 HydrophobicContact CE2-CD1 3.97Å; F89-L96 HydrophobicContact CE2-CD2 3.92Å; F89-L96 HydrophobicContact CE2-CG 4.43Å; K91-L96 HydrophobicContact CB-CD2 4.45Å
97E94.9Very high92.8Very high47 Ų4760.8 Ų60.822%0.2234%0.343CS..EExtended strand (participates in β ladder)trans-124.8131.2-179.1173.2178.6-169.500110.4F65 F89 K90F65-E97 HydrophobicContact CD1-CG 4.17Å; F89-E97 CarbonylContact C-O 3.55Å; F89-E97 WeakPolarHBondContact CA-O 3.17Å; F89-E97 WeakPolarHBondContact CB-O 3.2Å; K90-E97 PolarHBondContact N-O 2.84Å; K90-E97 PolarHBondContact O-N 3.07Å
98S95.4Very high92.7Very high1 Ų165.2 Ų65.21%0.00736%0.363CS..EExtended strand (participates in β ladder)trans-70134.6175.171.40000111.3F65 V66 T88F65-S98 WeakPolarHBondContact O-CB 3.49Å; F65-S98 PolarHBondContact O-N 2.73Å; F65-S98 PolarHBondContact O-OG 2.88Å; V66-S98 WeakPolarHBondContact CA-OG 3.35Å; T88-S98 CarbonylContact O-C 3.58Å; T88-S98 WeakPolarHBondContact O-CA 3.39Å
99Q94.9Very high92.5Very high66 Ų6663.4 Ų63.431%0.30835%0.352SS..EExtended strand (participates in β ladder)trans-94.3-40.2170-65.2-165.818.900112.8S29 K70 T88 K90S29-Q99 PolarHBondContact OG-NE2 3.37Å; K70-Q99 WeakPolarHBondContact CB-O 3.47Å; K70-Q99 WeakPolarHBondContact CD-O 3.28Å; T88-Q99 PolarHBondContact O-N 2.83Å; K90-Q99 HydrophobicContact CB-CG 4.46Å; K90-Q99 HydrophobicContact CD-CG 4.28Å; K90-Q99 HydrophobicContact CG-CG 4Å
100R94.3Very high92.3Very high120 Ų12068.7 Ų68.745%0.45339%0.385SS..EExtended strand (participates in β ladder)trans-145.6133.6177.8-175.1176.3-175.8-108.1-2.4108.7H72 F87 T88H72-R100 PolarHBondContact NE2-NH2 3.08Å; F87-R100 CarbonylContact C-O 3.52Å; F87-R100 WeakPolarHBondContact CA-O 3.35Å; F87-R100 WeakPolarHBondContact CB-O 3.39Å; T88-R100 PolarHBondContact N-O 3.5Å; T88-R100 PolarHBondContact O-N 3.28Å; T88-R100 PolarHBondContact OG1-N 2.88Å
101V95.8Very high91.9Very high0 Ų065.9 Ų65.90%037%0.374CS..EExtended strand (participates in β ladder)trans-126.1127.1179.4-177.20000109.1L48 V66 K70 L71 H72 V85 F87L48-V101 HydrophobicContact CD1-CG1 4.14Å; L48-V101 HydrophobicContact CD1-CG2 4Å; V66-V101 HydrophobicContact CG2-CG2 3.8Å; K70-V101 PolarHBondContact O-N 3.23Å; L71-V101 HydrophobicContact CD2-CB 3.87Å; L71-V101 HydrophobicContact CD2-CG1 3.8Å; H72-V101 VanDerWaalsContact CB-O 3.23Å; H72-V101 WeakPolarHBondContact CB-O 3.31Å; H72-V101 PolarHBondContact N-O 3.44Å; V85-V101 HydrophobicContact CB-CG1 4.05Å; V85-V101 HydrophobicContact CG1-CG1 4.15Å; F87-V101 HydrophobicContact CB-CB 4.24Å; F87-V101 HydrophobicContact CB-CG1 4.35Å; F87-V101 HydrophobicContact CB-CG2 3.82Å
102T95.8Very high91.5Very high8 Ų858.9 Ų58.95%0.04935%0.346CS..EExtended strand (participates in β ladder)trans-127.6164.6178.148.40000109.8H72 V85 E86H72-T102 HydrophobicContact CB-CG2 3.56Å; V85-T102 CarbonylContact C-O 3.51Å; V85-T102 WeakPolarHBondContact CA-O 3.1Å; V85-T102 WeakPolarHBondContact CB-O 3.39Å; E86-T102 PolarHBondContact N-O 3.4Å; E86-T102 PolarHBondContact O-N 3.23Å; E86-T102 VanDerWaalsContact O-O 3.04Å; E86-T102 PolarHBondContact O-OG1 2.97Å
103G94.3Very high90.8Very high2 Ų264.3 Ų64.32%0.02137%0.367CS..  trans-68.9176.9162.100000111.7G105 G106 I107G103-G105 PolarHBondContact O-N 2.68Å; G103-G106 PolarHBondContact O-N 2.78Å; G103-G106 VanDerWaalsContact O-N 3.16Å; G103-I107 WeakPolarHBondContact CA-O 3.49Å; G103-I107 PolarHBondContact N-O 2.78Å
104P91.7Very high89.8Confident71 Ų7167.9 Ų67.946%0.46136%0.36SS..G310 helixtrans-57.8136.417725.4-34.6000110.9A84 E86 G106 I107A84-P104 WeakPolarHBondContact O-CD 3.5Å; E86-P104 WeakPolarHBondContact OE1-CA 3.48Å; P104-G106 VanDerWaalsContact C-N 3.26Å; P104-G106 PolarHBondContact O-N 3.04Å; P104-I107 WeakPolarHBondContact O-CD1 3.47Å; P104-I107 WeakPolarHBondContact O-CG1 3.27Å
105G88Confident88.8Confident69 Ų6965.6 Ų65.671%0.71135%0.346SS*.G310 helixtrans67.123.1-177.800000114.4E86 G103 I107E86-G105 VanDerWaalsContact CD-N 3.34Å; E86-G105 PolarHBondContact OE1-N 3.33Å; E86-G105 PolarHBondContact OE2-N 2.8Å; G103-G105 PolarHBondContact O-N 2.68Å; G105-I107 VanDerWaalsContact C-N 3.3Å; G105-I107 PolarHBondContact O-N 3.19Å
106G89Confident87.3Confident33 Ų3367.6 Ų67.634%0.3435%0.352SS..G310 helixtrans76.810.5177.800000115.3G103 P104G103-G106 PolarHBondContact O-N 2.78Å; G103-G106 VanDerWaalsContact O-N 3.16Å; P104-G106 VanDerWaalsContact C-N 3.26Å; P104-G106 PolarHBondContact O-N 3.04Å
107I92.3Very high85.6Confident110 Ų11074 Ų7456%0.56438%0.378SS*.PPolyproline II helixtrans-67.1159.8178.4-57.3171.2000110G103 P104 G105G103-I107 WeakPolarHBondContact CA-O 3.49Å; G103-I107 PolarHBondContact N-O 2.78Å; P104-I107 WeakPolarHBondContact O-CD1 3.47Å; P104-I107 WeakPolarHBondContact O-CG1 3.27Å; G105-I107 VanDerWaalsContact C-N 3.3Å; G105-I107 PolarHBondContact O-N 3.19Å
108H92.1Very high83.7Confident94 Ų9474.9 Ų74.944%0.43540%0.4SS..PPolyproline II helixtrans-59.1142.3169.6-61.196000111.1H72H72-H108 WeakPolarHBondContact O-CA 3.47Å
109C91.4Very high81.9Confident7 Ų783.9 Ų83.95%0.04744%0.438CS..PPolyproline II helixtrans-66.9152.9176-38.10000110.1H72 M73 L79 E83H72-C109 PolarHBondContact O-N 3.08Å; M73-C109 WeakPolarHBondContact CE-O 3.45Å; M73-C109 HydrophobicContact CG-CB 3.52Å; M73-C109 WeakPolarHBondContact CG-O 3.46Å; M73-C109 HydrophobicContact SD-CB 3.54Å; M73-C109 VanDerWaalsContact SD-CB 3.54Å; L79-C109 HydrophobicContact CD2-CB 3.76Å; E83-C109 WeakPolarHBondContact OE1-CA 3.45Å; E83-C109 VanDerWaalsContact OE1-CB 3.26Å; E83-C109 WeakPolarHBondContact OE1-CB 2.99Å
110V88.4Confident79.8Confident114 Ų11488.9 Ų88.969%0.69146%0.459SS*.  trans-71.7-47-179.4-177.90000110.2E83E83-V110 HydrophobicContact CG-CB 4.43Å; E83-V110 HydrophobicContact CG-CG2 4.3Å; E83-V110 PolarHBondContact OE1-N 3.19Å
111G86.4Confident77.9Confident5 Ų589 Ų895%0.05247%0.473CS..  trans75.4170.9-179.400000115.2S78 E83S78-G111 WeakPolarHBondContact O-CA 3.43Å; E83-G111 PolarHBondContact OE2-N 3.37Å; E83-G111 VanDerWaalsContact OE2-N 3.16Å
112S84.1Confident76Confident24 Ų2496.4 Ų96.417%0.16851%0.508CS..  trans-74.7136.1-172.584.80000111.6V41 S78 R114V41-S112 VanDerWaalsContact CG2-OG 3.28Å; V41-S112 WeakPolarHBondContact CG2-OG 3.26Å; S78-S112 PolarHBondContact OG-N 3.46Å; S78-S112 PolarHBondContact OG-OG 3.11Å; S112-R114 PolarHBondContact O-N 2.99Å; S112-R114 VanDerWaalsContact O-N 3.16Å; S112-R114 PolarHBondContact OG-O 2.99Å
113E75.5Confident74Confident159 Ų159104.3 Ų104.374%0.74354%0.541SS*.SBendtrans-61.9-21.1169.7-65166.1-154.800111.9K80 R115K80-E113 IonicContact NZ-OE1 2.77Å; K80-E113 PolarHBondContact NZ-OE1 3.18Å; E113-R115 VanDerWaalsContact C-N 3.27Å; E113-R115 PolarHBondContact O-N 3.12Å; E113-R115 VanDerWaalsContact O-N 3.16Å
114R69.1Low72.1Confident208 Ų208114.2 Ų114.279%0.78558%0.578SS**  trans-87.960.8175.1-58.7-132.4-127.1-82.83.3110.7S112 P116S112-R114 PolarHBondContact O-N 2.99Å; S112-R114 VanDerWaalsContact O-N 3.16Å; S112-R114 PolarHBondContact OG-O 2.99Å; R114-P116 WeakPolarHBondContact O-CD 3.47Å; R114-P116 VanDerWaalsContact O-N 3.15Å
115R65.8Low70.4Confident162 Ų162119.2 Ų119.261%0.61159%0.588SS**  trans-53.8126.3154.2-169.8173-174.2128.3-2.5105.6F76 E113 K117F76-R115 HydrophobicContact CD1-CG 4.27Å; E113-R115 VanDerWaalsContact C-N 3.27Å; E113-R115 PolarHBondContact O-N 3.12Å; E113-R115 VanDerWaalsContact O-N 3.16Å; R115-K117 PolarHBondContact O-N 3.04Å
116P60.6Low69.1Low78 Ų78120.2 Ų120.251%0.50658%0.584SS.*  trans-56.1104.9168.422-28.9000103.7F76 R114 G118F76-P116 HydrophobicContact CE2-CG 4.41Å; F76-P116 HydrophobicContact CZ-CG 4.06Å; R114-P116 WeakPolarHBondContact O-CD 3.47Å; R114-P116 VanDerWaalsContact O-N 3.15Å; P116-G118 PolarHBondContact O-N 2.84Å
117K58.8Low67.8Low177 Ų177127 Ų12777%0.7760%0.604SS**  trans-59.989.6166.8-76.5177.1176.91700100.7R115 K119R115-K117 PolarHBondContact O-N 3.04Å; K117-K119 VanDerWaalsContact C-N 3.32Å; K117-K119 WeakPolarHBondContact O-CA 3.16Å; K117-K119 PolarHBondContact O-N 2.76Å
118G54.8Low66.2Low65 Ų65123.5 Ų123.567%0.6760%0.595SS**  trans-45.1111.2-179.400000102.2P116 K120P116-G118 PolarHBondContact O-N 2.84Å; G118-K120 PolarHBondContact O-N 2.64Å
119K56.2Low65.3Low189 Ų189122.1 Ų122.182%0.82259%0.591SS**  trans-33.9114.5-153.9-77.3178.1180174.40103.7K117 V121K117-K119 VanDerWaalsContact C-N 3.32Å; K117-K119 WeakPolarHBondContact O-CA 3.16Å; K117-K119 PolarHBondContact O-N 2.76Å; K119-V121 PolarHBondContact O-N 2.72Å
120K50.4Low65Low171 Ų171125.3 Ų125.374%0.74360%0.602SS**  trans-49.6106.2171.2-78.9-170.4-178.9-173.50100.3G118 Q122G118-K120 PolarHBondContact O-N 2.64Å; K120-Q122 HydrophobicContact CB-CG 4.37Å; K120-Q122 PolarHBondContact O-N 2.67Å
121V55.8Low64.8Low123 Ų123120 Ų12075%0.74557%0.57SS**  trans-6983.3161.6177.7000095.4K119 K123K119-V121 PolarHBondContact O-N 2.72Å; V121-K123 HydrophobicContact CG1-CB 4.17Å; V121-K123 PolarHBondContact O-N 2.64Å
122Q55.8Low64.8Low155 Ų155126.5 Ų126.572%0.72459%0.594SS**  trans-49.979.5133.1-64.4-173.8-3600101.2K120 R124K120-Q122 HydrophobicContact CB-CG 4.37Å; K120-Q122 PolarHBondContact O-N 2.67Å; Q122-R124 PolarHBondContact O-N 2.69Å
123K53.9Low64.9Low174 Ų174126.6 Ų126.676%0.75759%0.592SS**  trans-50.581.2130.4-148.2176.5-173.8177.8099.1V121 R125V121-K123 HydrophobicContact CG1-CB 4.17Å; V121-K123 PolarHBondContact O-N 2.64Å; K123-R125 PolarHBondContact O-N 2.55Å
124R53.4Low65.4Low210 Ų210121.1 Ų121.179%0.79257%0.571SS**  trans-44.896.5144.1-80.6-175.6162.4-162.5-3.998.5Q122 S126Q122-R124 PolarHBondContact O-N 2.69Å; R124-S126 WeakPolarHBondContact O-CA 3.44Å; R124-S126 PolarHBondContact O-N 3.35Å
125R57.1Low66Low176 Ų176112.8 Ų112.866%0.66455%0.55SS*.  trans-51.2109.1165.4-78.5-157.3176.8-1635.6100.6K123 K127 D129K123-R125 PolarHBondContact O-N 2.55Å; R125-K127 PolarHBondContact O-N 3.15Å; R125-K127 VanDerWaalsContact O-N 3.09Å; R125-D129 IonicContact NH1-OD2 3.99Å
126S59.8Low66.9Low91 Ų91106.2 Ų106.264%0.63653%0.532SS*.  trans-47.1127.9-165.7-450000105.1R124 G128 D129R124-S126 WeakPolarHBondContact O-CA 3.44Å; R124-S126 PolarHBondContact O-N 3.35Å; S126-G128 CarbonylContact O-C 3.48Å; S126-G128 VanDerWaalsContact O-CA 3.27Å; S126-G128 WeakPolarHBondContact O-CA 3.47Å; S126-G128 PolarHBondContact O-N 2.99Å; S126-D129 PolarHBondContact O-N 3.35Å
127K61.2Low67.9Low176 Ų176107.8 Ų107.877%0.76554%0.536SS*.THydrogen-bonded Turntrans-54.571.5-175.1-177.6-177.1175.3179.20110.6R125R125-K127 PolarHBondContact O-N 3.15Å; R125-K127 VanDerWaalsContact O-N 3.09Å
128G60Low69Low35 Ų35106.9 Ų106.936%0.36154%0.54SS..THydrogen-bonded Turntrans166.3-16.2-150.200000115.9S126 R130S126-G128 CarbonylContact O-C 3.48Å; S126-G128 VanDerWaalsContact O-CA 3.27Å; S126-G128 WeakPolarHBondContact O-CA 3.47Å; S126-G128 PolarHBondContact O-N 2.99Å; G128-R130 PolarHBondContact O-N 3.32Å
129D73.2Confident70.5Confident65 Ų65106.4 Ų106.435%0.34852%0.52SS..  trans-82.156.5170.9-161.922.8000111.2R125 S126 H140R125-D129 IonicContact NH1-OD2 3.99Å; S126-D129 PolarHBondContact O-N 3.35Å; D129-H140 IonicContact OD1-CE1 3.47Å; D129-H140 PolarHBondContact OD1-CE1 3.09Å; D129-H140 IonicContact OD1-NE2 3.12Å; D129-H140 PolarHBondContact OD1-NE2 2.74Å; D129-H140 VanDerWaalsContact OD1-NE2 3.12Å
130R83.8Confident71.9Confident74 Ų74101.8 Ų101.828%0.27950%0.501SS..SBendtrans-119.9144.2176.2-66.5-170-75.4174-1.7108.3G128 Y132 L137 H154G128-R130 PolarHBondContact O-N 3.32Å; R130-Y132 PolarHBondContact O-N 3.08Å; R130-Y132 VanDerWaalsContact O-N 3.13Å; R130-L137 HydrophobicContact CG-CD2 3.78Å; R130-H154 PolarHBondContact NH2-O 3.41Å
131C86.2Confident73.7Confident3 Ų395.6 Ų95.62%0.0248%0.482CS..  trans-54.3121172.6174.30000110.5N133 C134 G135 G136 H139C131-N133 PolarHBondContact O-N 3.37Å; C131-N133 VanDerWaalsContact O-N 3.16Å; C131-N133 PolarHBondContact SG-N 3.35Å; C131-N133 VanDerWaalsContact SG-N 3.38Å; C131-C134 PolarHBondContact SG-N 2.98Å; C131-G135 VanDerWaalsContact O-CA 3.26Å; C131-G135 WeakPolarHBondContact O-CA 3.34Å; C131-G135 PolarHBondContact O-N 3.25Å; C131-G136 PolarHBondContact N-O 3.46Å; C131-H139 WeakPolarHBondContact CB-O 3.5Å
132Y85.3Confident75.2Confident142 Ų14299.6 Ų99.656%0.55749%0.489SS*.THydrogen-bonded Turntrans-67-15.1179.8-59.7-61.2000114.5R130 A141 H154R130-Y132 PolarHBondContact O-N 3.08Å; R130-Y132 VanDerWaalsContact O-N 3.13Å; Y132-A141 HydrophobicContact CD2-CB 4.47Å; Y132-H154 AromaticContact CD1-CE1 3.16Å; Y132-H154 WeakPolarHBondContact CD1-CE1 3.5Å; Y132-H154 AromaticContact CD1-ND1 3.36Å; Y132-H154 WeakPolarHBondContact CD1-ND1 3.27Å; Y132-H154 AromaticContact CE1-CE1 3.55Å; Y132-H154 AromaticContact CE1-ND1 3.53Å
133N86Confident76.7Confident25 Ų2598.4 Ų98.413%0.13448%0.484CS..THydrogen-bonded Turntrans-87.3-52.6176.1-162.535.9000112.8C131 A141 C144 L146 P147 Q149C131-N133 PolarHBondContact O-N 3.37Å; C131-N133 VanDerWaalsContact O-N 3.16Å; C131-N133 PolarHBondContact SG-N 3.35Å; C131-N133 VanDerWaalsContact SG-N 3.38Å; N133-A141 HydrophobicContact CB-CB 4.33Å; N133-C144 HydrophobicContact CB-CB 4.09Å; N133-L146 PolarHBondContact ND2-O 3.12Å; N133-L146 VanDerWaalsContact ND2-O 3.09Å; N133-P147 PolarHBondContact ND2-O 3.47Å; N133-Q149 WeakPolarHBondContact OD1-CB 3.26Å; N133-Q149 PolarHBondContact OD1-N 3.05Å
134C86.1Confident78.3Confident45 Ų4591.1 Ų91.130%0.30445%0.454SS..THydrogen-bonded Turntrans-116.8-11.9-173730000115.9C131 G136 H139 C144 L146C131-C134 PolarHBondContact SG-N 2.98Å; C134-G136 PolarHBondContact SG-N 3.28Å; C134-H139 VanDerWaalsContact SG-CE1 3.56Å; C134-H139 PolarHBondContact SG-NE2 3.39Å; C134-C144 VanDerWaalsContact SG-SG 3.65Å; C134-L146 HydrophobicContact CB-CD1 3.7Å
135G81.7Confident80Confident33 Ų3391.1 Ų91.134%0.3446%0.46SS..  trans84.11.3-176.400000115.9C131C131-G135 VanDerWaalsContact O-CA 3.26Å; C131-G135 WeakPolarHBondContact O-CA 3.34Å; C131-G135 PolarHBondContact O-N 3.25Å
136G84.3Confident81.4Confident23 Ų2387.3 Ų87.324%0.23745%0.452CS..  trans-60.8151.4178.500000113.9C131 C134C131-G136 PolarHBondContact N-O 3.46Å; C134-G136 PolarHBondContact SG-N 3.28Å
137L81.5Confident82.7Confident112 Ų11287.1 Ų87.159%0.58645%0.449SS*.SBendtrans-92.8-14.4-176.5-59.2-179.3000113.9R130R130-L137 HydrophobicContact CG-CD2 3.78Å
138D82.6Confident83.9Confident158 Ų15884.6 Ų84.685%0.84545%0.451SS*.SBendtrans-105.34.9-168.9-60.5-45.3000113.9
139H85.9Confident85.2Confident54 Ų5486.5 Ų86.525%0.2545%0.45CS..  trans-158.1162177.561-84.5000112.1C131 C134 E143 C144C131-H139 WeakPolarHBondContact CB-O 3.5Å; C134-H139 VanDerWaalsContact SG-CE1 3.56Å; C134-H139 PolarHBondContact SG-NE2 3.39Å; H139-E143 HydrophobicContact CB-CB 4.17Å; H139-C144 PolarHBondContact NE2-SG 3.23Å
140H86.9Confident85.8Confident92 Ų9287.1 Ų87.143%0.42646%0.458SS..  trans-94163.9169.8-73.792.1000111.4D129 K142 E143 C144D129-H140 IonicContact OD1-CE1 3.47Å; D129-H140 PolarHBondContact OD1-CE1 3.09Å; D129-H140 IonicContact OD1-NE2 3.12Å; D129-H140 PolarHBondContact OD1-NE2 2.74Å; D129-H140 VanDerWaalsContact OD1-NE2 3.12Å; H140-K142 PolarHBondContact O-N 3.33Å; H140-E143 PolarHBondContact O-N 3.34Å; H140-C144 PolarHBondContact O-N 2.8Å
141A86.7Confident85.9Confident42 Ų4291.8 Ų91.835%0.34748%0.48SS..G310 helixtrans-56.2-24.8-177.700000114.6Y132 N133 E143 C144Y132-A141 HydrophobicContact CD2-CB 4.47Å; N133-A141 HydrophobicContact CB-CB 4.33Å; A141-E143 VanDerWaalsContact C-N 3.25Å; A141-E143 PolarHBondContact O-N 2.86Å; A141-C144 PolarHBondContact O-N 3.16Å
142K87.8Confident86Confident206 Ų20696.9 Ų96.990%0.89650%0.499SS*.G310 helixtrans-68.8-23.8176.1-59-178.5-179.4-176.10113.3H140H140-K142 PolarHBondContact O-N 3.33Å
143E86.8Confident86Confident131 Ų13190.1 Ų90.161%0.61247%0.472SS*.G310 helixtrans-111.47.7-176.5-65.7161.3-142.900111.2H139 H140 A141 K145H139-E143 HydrophobicContact CB-CB 4.17Å; H140-E143 PolarHBondContact O-N 3.34Å; A141-E143 VanDerWaalsContact C-N 3.25Å; A141-E143 PolarHBondContact O-N 2.86Å; E143-K145 PolarHBondContact O-N 3.13Å
144C89.3Confident86Confident21 Ų2194 Ų9414%0.14249%0.49CS..  trans-75.3121.7-179-166.10000110.4N133 C134 H139 H140 A141 L146N133-C144 HydrophobicContact CB-CB 4.09Å; C134-C144 VanDerWaalsContact SG-SG 3.65Å; H139-C144 PolarHBondContact NE2-SG 3.23Å; H140-C144 PolarHBondContact O-N 2.8Å; A141-C144 PolarHBondContact O-N 3.16Å; C144-L146 PolarHBondContact O-N 2.97Å
145K89.1Confident85.8Confident209 Ų20994.3 Ų94.391%0.90949%0.486SS*.  trans-75.4-10-179.9-57.7178.4-176-178.70113.6E143E143-K145 PolarHBondContact O-N 3.13Å
146L85.4Confident86Confident97 Ų9794.8 Ų94.851%0.50848%0.483SS..SBendtrans-81.6146.6177.4-64.3-175.6000110.4N133 C134 C144N133-L146 PolarHBondContact ND2-O 3.12Å; N133-L146 VanDerWaalsContact ND2-O 3.09Å; C134-L146 HydrophobicContact CB-CD1 3.7Å; C144-L146 PolarHBondContact O-N 2.97Å
147P87.2Confident86Confident86 Ų8698.8 Ų98.856%0.55850%0.496SS*.PPolyproline II helixtrans-56.8154.9171.124.8-32.5000110.3N133 Q149N133-P147 PolarHBondContact ND2-O 3.47Å; P147-Q149 WeakPolarHBondContact O-CG 3.26Å; P147-Q149 PolarHBondContact O-N 2.79Å; P147-Q149 VanDerWaalsContact O-N 3.09Å; P147-Q149 PolarHBondContact O-NE2 2.85Å
148P87.3Confident86.3Confident124 Ų12494.7 Ų94.781%0.80548%0.477SS*.PPolyproline II helixtrans-57.8118.2-178.523.4-32.9000110.4
149Q86Confident86.5Confident75 Ų7592 Ų9235%0.3546%0.461SS..PPolyproline II helixtrans-90.7155.2179.5-62-56.3-60.500110.3N133 P147 K151N133-Q149 WeakPolarHBondContact OD1-CB 3.26Å; N133-Q149 PolarHBondContact OD1-N 3.05Å; P147-Q149 WeakPolarHBondContact O-CG 3.26Å; P147-Q149 PolarHBondContact O-N 2.79Å; P147-Q149 VanDerWaalsContact O-N 3.09Å; P147-Q149 PolarHBondContact O-NE2 2.85Å; Q149-K151 PolarHBondContact O-N 3.28Å
150P86.6Confident86.7Confident78 Ų7896.1 Ų96.151%0.50649%0.485SS..PPolyproline II helixtrans-56.3137.6173.823.5-34000110.6R152 I159P150-R152 PolarHBondContact O-N 2.98Å; P150-I159 HydrophobicContact CG-CG2 4.2Å
151K85.1Confident86.7Confident172 Ų17293.6 Ų93.675%0.74847%0.474SS*.PPolyproline II helixtrans-61.4131.8-177.5-66.4-174.8-179.4178.50109.7Q149Q149-K151 PolarHBondContact O-N 3.28Å
152R88.1Confident86.9Confident109 Ų10997.6 Ų97.641%0.41149%0.486SS..  trans-108.1150.6179.7-65178-171.1-173.21.9111P150 H154 Q157 S158 I159P150-R152 PolarHBondContact O-N 2.98Å; R152-H154 PolarHBondContact O-N 2.94Å; R152-Q157 WeakPolarHBondContact CD-O 3.24Å; R152-S158 CarbonylContact C-O 3.51Å; R152-S158 VanDerWaalsContact CA-O 3.24Å; R152-S158 WeakPolarHBondContact CA-O 3.35Å; R152-I159 HydrophobicContact CG-CG2 3.73Å
153C86.8Confident86.9Confident1 Ų190 Ų901%0.00746%0.457CS..  trans-55.7120.8167.5179.10000110.3F155 Q157 S158 H161C153-F155 PolarHBondContact O-N 2.56Å; C153-F155 PolarHBondContact SG-N 2.98Å; C153-Q157 WeakPolarHBondContact O-CA 3.37Å; C153-Q157 PolarHBondContact O-N 3.33Å; C153-S158 PolarHBondContact N-O 3.19Å; C153-H161 WeakPolarHBondContact CB-O 3.19Å
154H84.5Confident86.9Confident107 Ų10788.2 Ų88.250%0.49547%0.465SS..THydrogen-bonded Turntrans-63-12.3179.6-60.8-76.1000114.2R130 Y132 R152R130-H154 PolarHBondContact NH2-O 3.41Å; Y132-H154 AromaticContact CD1-CE1 3.16Å; Y132-H154 WeakPolarHBondContact CD1-CE1 3.5Å; Y132-H154 AromaticContact CD1-ND1 3.36Å; Y132-H154 WeakPolarHBondContact CD1-ND1 3.27Å; Y132-H154 AromaticContact CE1-CE1 3.55Å; Y132-H154 AromaticContact CE1-ND1 3.53Å; R152-H154 PolarHBondContact O-N 2.94Å
155F83.3Confident86.9Confident51 Ų5191.6 Ų91.622%0.22449%0.489CS..THydrogen-bonded Turntrans-97.5-60.3-178.8-171.3-99.2000112.8C153 V163 V168 K169 Q172C153-F155 PolarHBondContact O-N 2.56Å; C153-F155 PolarHBondContact SG-N 2.98Å; F155-V163 HydrophobicContact CB-CG2 3.96Å; F155-V168 HydrophobicContact CD1-CB 4.18Å; F155-V168 HydrophobicContact CD1-CG1 4.36Å; F155-V168 HydrophobicContact CE1-CB 3.95Å; F155-V168 HydrophobicContact CE1-CG1 3.78Å; F155-K169 HydrophobicContact CD1-CB 3.84Å; F155-K169 HydrophobicContact CD2-CB 4.48Å; F155-K169 HydrophobicContact CD2-CD 4.49Å; F155-K169 HydrophobicContact CD2-CG 4.31Å; F155-K169 HydrophobicContact CE1-CB 3.92Å; F155-K169 HydrophobicContact CE2-CG 4.3Å; F155-K169 HydrophobicContact CG-CB 4.09Å; F155-K169 HydrophobicContact CG-CG 4.37Å; F155-K169 HydrophobicContact CZ-CB 4.23Å; F155-K169 HydrophobicContact CZ-CG 4.35Å; F155-Q172 HydrophobicContact CZ-CB 4.42Å; F155-Q172 HydrophobicContact CZ-CG 4.4Å
156C85.3Confident86.9Confident42 Ų4281.8 Ų81.828%0.28445%0.447SS..THydrogen-bonded Turntrans-103.8-3.6-176.468.20000114.5S158 H161 C166 V168C156-S158 PolarHBondContact O-N 3.29Å; C156-H161 PolarHBondContact SG-NE2 3.35Å; C156-C166 PolarHBondContact SG-SG 3.13Å; C156-V168 HydrophobicContact CB-CB 4.34Å; C156-V168 HydrophobicContact CB-CG2 4.01Å
157Q83.9Confident87Confident107 Ų10780.4 Ų80.450%0.544%0.444SS..  trans67.89.9179.2-55.7160.569.100115.9R152 C153R152-Q157 WeakPolarHBondContact CD-O 3.24Å; C153-Q157 WeakPolarHBondContact O-CA 3.37Å; C153-Q157 PolarHBondContact O-N 3.33Å
158S87.3Confident86.9Confident27 Ų2779 Ų7919%0.18943%0.433CS..  trans-63.9147.1171.3164.90000111.9R152 C153 C156 D160 H161R152-S158 CarbonylContact C-O 3.51Å; R152-S158 VanDerWaalsContact CA-O 3.24Å; R152-S158 WeakPolarHBondContact CA-O 3.35Å; C153-S158 PolarHBondContact N-O 3.19Å; C156-S158 PolarHBondContact O-N 3.29Å; S158-D160 PolarHBondContact OG-N 3.34Å; S158-D160 VanDerWaalsContact OG-N 3.13Å; S158-D160 PolarHBondContact OG-OD2 3.04Å; S158-H161 WeakPolarHBondContact CB-CE1 3.3Å; S158-H161 PolarHBondContact OG-CE1 3.48Å; S158-H161 PolarHBondContact OG-ND1 3.46Å
159I86.8Confident86.8Confident102 Ų10277.5 Ų77.552%0.52341%0.414SS..SBendtrans-88.8-15175.554.7170.2000113.1P150 R152P150-I159 HydrophobicContact CG-CG2 4.2Å; R152-I159 HydrophobicContact CG-CG2 3.73Å
160D90.4Very high86.6Confident140 Ų14077.1 Ų77.175%0.74942%0.424SS*.SBendtrans-83.4-23.6-170-49.6-72.8000112.8S158S158-D160 PolarHBondContact OG-N 3.34Å; S158-D160 VanDerWaalsContact OG-N 3.13Å; S158-D160 PolarHBondContact OG-OD2 3.04Å
161H87.7Confident86.2Confident39 Ų3980.3 Ų80.318%0.18143%0.432CS..SBendtrans-143.1155.9-177.462.4-90.9000111.6C153 C156 S158 C166C153-H161 WeakPolarHBondContact CB-O 3.19Å; C156-H161 PolarHBondContact SG-NE2 3.35Å; S158-H161 WeakPolarHBondContact CB-CE1 3.3Å; S158-H161 PolarHBondContact OG-CE1 3.48Å; S158-H161 PolarHBondContact OG-ND1 3.46Å; H161-C166 WeakPolarHBondContact CD2-CA 3.48Å; H161-C166 WeakPolarHBondContact NE2-CA 3.36Å; H161-C166 PolarHBondContact NE2-SG 3.36Å
162M89.4Confident85.4Confident125 Ų12578.4 Ų78.462%0.61643%0.425SS*.  trans-91.2169170.4-68.6-171.8-71.200111.2A164 S165 C166M162-A164 PolarHBondContact O-N 3.4Å; M162-S165 PolarHBondContact O-N 3.46Å; M162-C166 PolarHBondContact O-N 3.31Å
163V87.9Confident84.1Confident46 Ų4677.4 Ų77.428%0.27944%0.435SS..G310 helixtrans-56.8-23.9-176.277.10000114.2F155 S165 K169F155-V163 HydrophobicContact CB-CG2 3.96Å; V163-S165 VanDerWaalsContact C-N 3.31Å; V163-K169 HydrophobicContact CG2-CD 3.63Å
164A87.4Confident82.1Confident94 Ų9481 Ų8178%0.77746%0.461SS*.G310 helixtrans-68-29.4176.900000113.1M162M162-A164 PolarHBondContact O-N 3.4Å
165S89.5Confident80.5Confident93 Ų9381.4 Ų81.465%0.6547%0.472SS*.G310 helixtrans-116.223.2-178-50.90000111.5M162 V163 P167M162-S165 PolarHBondContact O-N 3.46Å; V163-S165 VanDerWaalsContact C-N 3.31Å; S165-P167 VanDerWaalsContact O-CD 3.3Å; S165-P167 WeakPolarHBondContact O-CD 3.43Å
166C88.8Confident78.6Confident3 Ų385.7 Ų85.72%0.0250%0.502CS..  trans-77.5114.4-175.8-176.50000111.4C156 H161 M162 V168 K169 A170C156-C166 PolarHBondContact SG-SG 3.13Å; H161-C166 WeakPolarHBondContact CD2-CA 3.48Å; H161-C166 WeakPolarHBondContact NE2-CA 3.36Å; H161-C166 PolarHBondContact NE2-SG 3.36Å; M162-C166 PolarHBondContact O-N 3.31Å; C166-V168 VanDerWaalsContact C-N 3.27Å; C166-V168 PolarHBondContact O-N 3.48Å; C166-K169 HydrophobicContact CB-CB 3.79Å; C166-K169 PolarHBondContact O-N 2.88Å; C166-K169 VanDerWaalsContact O-N 3.08Å; C166-A170 PolarHBondContact O-N 2.93Å
167P88.1Confident77Confident68 Ų6888 Ų8844%0.44252%0.519SS..Hα-helixtrans-63.4-36.6-178.125.7-33.2000111.3S165 K169 A170 Q171S165-P167 VanDerWaalsContact O-CD 3.3Å; S165-P167 WeakPolarHBondContact O-CD 3.43Å; P167-K169 VanDerWaalsContact C-N 3.3Å; P167-K169 PolarHBondContact O-N 2.99Å; P167-A170 PolarHBondContact O-N 3.09Å; P167-Q171 VanDerWaalsContact O-CG 3.26Å; P167-Q171 WeakPolarHBondContact O-CG 3.16Å; P167-Q171 PolarHBondContact O-N 3.18Å
168V86Confident75.3Confident55 Ų5592.2 Ų92.233%0.33354%0.539SS..Hα-helixtrans-65.6-34.6177.3-164.50000111.4F155 C156 C166 Q172F155-V168 HydrophobicContact CD1-CB 4.18Å; F155-V168 HydrophobicContact CD1-CG1 4.36Å; F155-V168 HydrophobicContact CE1-CB 3.95Å; F155-V168 HydrophobicContact CE1-CG1 3.78Å; C156-V168 HydrophobicContact CB-CB 4.34Å; C156-V168 HydrophobicContact CB-CG2 4.01Å; C166-V168 VanDerWaalsContact C-N 3.27Å; C166-V168 PolarHBondContact O-N 3.48Å; V168-Q172 WeakPolarHBondContact O-CG 3.36Å; V168-Q172 PolarHBondContact O-N 2.76Å
169K84.7Confident72.7Confident94 Ų9494.5 Ų94.541%0.40957%0.567SS.*Hα-helixtrans-74.2-40.2178.1-170.9179.4171.9-166.50111.3F155 V163 C166 P167 Q171 Q172 S173F155-K169 HydrophobicContact CD1-CB 3.84Å; F155-K169 HydrophobicContact CD2-CB 4.48Å; F155-K169 HydrophobicContact CD2-CD 4.49Å; F155-K169 HydrophobicContact CD2-CG 4.31Å; F155-K169 HydrophobicContact CE1-CB 3.92Å; F155-K169 HydrophobicContact CE2-CG 4.3Å; F155-K169 HydrophobicContact CG-CB 4.09Å; F155-K169 HydrophobicContact CG-CG 4.37Å; F155-K169 HydrophobicContact CZ-CB 4.23Å; F155-K169 HydrophobicContact CZ-CG 4.35Å; V163-K169 HydrophobicContact CG2-CD 3.63Å; C166-K169 HydrophobicContact CB-CB 3.79Å; C166-K169 PolarHBondContact O-N 2.88Å; C166-K169 VanDerWaalsContact O-N 3.08Å; P167-K169 VanDerWaalsContact C-N 3.3Å; P167-K169 PolarHBondContact O-N 2.99Å; K169-Q171 VanDerWaalsContact C-N 3.3Å; K169-Q171 PolarHBondContact O-N 3.38Å; K169-Q172 PolarHBondContact O-N 3.19Å; K169-S173 PolarHBondContact O-N 2.95Å; K169-S173 PolarHBondContact O-OG 2.99Å
170A81.9Confident70.6Confident67 Ų6799.3 Ų99.355%0.55458%0.584SS**Hα-helixtrans-62.6-36.9176.300000112.3C166 P167 S173C166-A170 PolarHBondContact O-N 2.93Å; P167-A170 PolarHBondContact O-N 3.09Å; A170-S173 PolarHBondContact O-OG 3.09Å
171Q77.8Confident68.1Low145 Ų14598.8 Ų98.868%0.67859%0.589SS**Hα-helixtrans-71.1-25.3176.7-71.7170.6-1000113.9P167 K169 S174P167-Q171 VanDerWaalsContact O-CG 3.26Å; P167-Q171 WeakPolarHBondContact O-CG 3.16Å; P167-Q171 PolarHBondContact O-N 3.18Å; K169-Q171 VanDerWaalsContact C-N 3.3Å; K169-Q171 PolarHBondContact O-N 3.38Å; Q171-S174 PolarHBondContact O-OG 3.38Å
172Q68.9Low65.8Low131 Ų131102.1 Ų102.161%0.61262%0.616SS**THydrogen-bonded Turntrans-90.1-5.7178.6-71-174.521.800113.9F155 V168 K169F155-Q172 HydrophobicContact CZ-CB 4.42Å; F155-Q172 HydrophobicContact CZ-CG 4.4Å; V168-Q172 WeakPolarHBondContact O-CG 3.36Å; V168-Q172 PolarHBondContact O-N 2.76Å; K169-Q172 PolarHBondContact O-N 3.19Å
173S60.6Low63.8Low88 Ų88102 Ų10262%0.61563%0.625SS**  trans-98.66.4-179.249.70000115.1K169 A170K169-S173 PolarHBondContact O-N 2.95Å; K169-S173 PolarHBondContact O-OG 2.99Å; A170-S173 PolarHBondContact O-OG 3.09Å
174S44.5Very low61.9Low78 Ų78108 Ų10855%0.54566%0.655SS.*SBendtrans-74.9130.1172.1410000110.8Q171 V176Q171-S174 PolarHBondContact O-OG 3.38Å; S174-V176 PolarHBondContact O-N 3.43Å; S174-V176 VanDerWaalsContact O-N 3.15Å
175P50.8Low59.6Low114 Ų114113.6 Ų113.674%0.7466%0.661SS**  trans-75.4103.7171.530.1-28.7000108.3S177P175-S177 PolarHBondContact O-N 3.42Å
176V44Very low57.2Low141 Ų141112.8 Ų112.886%0.85567%0.667SS**  trans-71.290.1157.2168.70000106.7S174S174-V176 PolarHBondContact O-N 3.43Å; S174-V176 VanDerWaalsContact O-N 3.15Å
177S51.2Low54.8Low92 Ų92119.1 Ų119.164%0.64370%0.701SS**  trans-75.2121.2164.7-75.70000109.3P175P175-S177 PolarHBondContact O-N 3.42Å
178Q46.9Very low52.5Low194 Ų194124.4 Ų124.491%0.90772%0.72SS**  trans76.6115.4146.6-59.5-179.5-25.400119.6
179G33.6Very low50.1Low76 Ų76125.2 Ų125.278%0.78474%0.74SS**  trans-175.569.6161.300000109.8
180K41.8Very low47.7Very low202 Ų202129.1 Ų129.188%0.87876%0.759SS**  trans-75.9128.4169.4-77.8176.3171.9178.10108.5
181P39.6Very low45.7Very low130 Ų130133.1 Ų133.184%0.84477%0.766SS**  trans-85.3111.2156.229.8-23.4000108.2
182S39.3Very low43.8Very low109 Ų109131.3 Ų131.376%0.76277%0.77SS**  trans-83.4146.4168.738.70000110.7
183P45.7Very low43.2Very low122 Ų122133.9 Ų133.979%0.79278%0.782SS**  trans-83147.2-178.733.9-32000112.2
184L48.5Very low42.6Very low173 Ų173136.1 Ų136.191%0.90679%0.794SS**  trans-17.9130.5165.4-56.6165.4000116.8
185K39Very low43.1Very low210 Ų210136.4 Ų136.491%0.91380%0.801SS**  trans-141.5118.6144.4-108.7-178.4174.6-172.20107.6
186G39.7Very low43.7Very low76 Ų76136.4 Ų136.478%0.78480%0.801SS**  trans-75.4156.916800000111
187D38.2Very low44.8Very low137 Ų137135.2 Ų135.273%0.73380%0.797SS**  -177.8132.9128.4-150.2-147.5000109.9
188E40.5Very low45.8Very low178 Ų178137 Ų13783%0.83281%0.806SS**  trans47133.4149.1-60.118014600120.4
189G34Very low46.5Very low73 Ų73136.6 Ų136.675%0.75380%0.804SS**  cis173.6174.75.800000110.1
190E35.7Very low47.7Very low175 Ų175138.8 Ų138.882%0.81880%0.802SS**  trans90.3135.1156.4-121.4-178.563.700122.7
191H40.3Very low48.5Very low152 Ų152134.9 Ų134.970%0.70480%0.8SS**  trans80.788.6158.2-84.893.2000120
192S37.9Very low49Very low107 Ų107140.4 Ų140.475%0.74882%0.823SS**  156.3121.794.5-68.60000111.7
193Q54.5Low49.5Very low185 Ų185142 Ų14286%0.86483%0.826SS**  trans-73.4162.3160.3-60.4-175.1-35.400109.6
194P48.5Very low49.7Very low134 Ų134143.1 Ų143.187%0.8783%0.828SS**  -135.4165.285.723.7-3.2000115.1
195A55.1Low49.7Very low85 Ų85141.4 Ų141.470%0.70282%0.823SS**PPolyproline II helixtrans-66.3159.7-166.300000116.9
196P63.9Low50.4Low114 Ų114137.4 Ų137.474%0.7482%0.818SS**PPolyproline II helixtrans-85.4153.4164.134.9-32.6000112.2
197P67.8Low51Low116 Ų116141.2 Ų141.275%0.75382%0.82SS**PPolyproline II helixtrans-75.4150.3171.532.8-33.3000111.1
198P70.7Confident51.9Low128 Ų128141.5 Ų141.583%0.83183%0.826SS**PPolyproline II helixtrans-78.8138.9173.430.8-32.1000111.7
199E61.8Low52.7Low186 Ų186138.9 Ų138.987%0.86983%0.826SS**PPolyproline II helixtrans-73.8157.5170.1-66.2-117.99900111.7
200T59.8Low54.2Low123 Ų123143.9 Ų143.976%0.75583%0.831SS**PPolyproline II helixtrans-57.6150.3-17162.90000116
201S57.7Low55.7Low119 Ų119141.3 Ų141.383%0.83283%0.833SS**  175.5132.3126.7-75.40000112.3
202D50.4Low57.1Low247 Ų247140.4 Ų140.4100%1.32184%0.844SS**  trans66.60170.5-132-110.8000119.5

Retrieved 202 of 202 residues in 71.2 ms (Link to these results)