A0A3Q0KTK2_SCHMA Loading...

NFU1 iron-sulfur cluster scaffold homolog, mitochondrial

AlphaFold DB , UniProt , Accession A0A3Q0KTK2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 232 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
1M41.8Very low42.7Very low238 Ų238174.6 Ų174.6100%1.17287%0.867SS**  0107.50-145.4178.8-163.200107.4
2L39.7Very low42.7Very low163 Ų163170.8 Ų170.885%0.85385%0.852SS**  trans45.7103162.3-76.1148.2000120.6
3V38.1Very low42.6Very low139 Ų139167 Ų16784%0.84284%0.844SS**  trans-72123.8156.11730000109.4
4V44.8Very low42.7Very low132 Ų132166.3 Ų166.380%0.884%0.836SS**  trans-155.8110.6145-1730000108.3
5N43.6Very low42.6Very low157 Ų157162.3 Ų162.384%0.8483%0.83SS**  trans-139.5118.7163.6-112.8-20.9000109.8
6S44.7Very low42.7Very low95 Ų95161.4 Ų161.466%0.66483%0.825SS**  trans42.4105.4141.7-175.80000117.8
7F45.8Very low42.6Very low197 Ų197157.1 Ų157.186%0.86481%0.813SS**  trans-155.4101.4136.5-114.6-80.6000110.5R9F7-R9 PolarHBondContact O-N 3.4Å; F7-R9 VanDerWaalsContact O-N 3.15Å
8R41.6Very low42.5Very low253 Ų253158.6 Ų158.696%0.95581%0.813SS**  trans-70.595.8173.6-154.9178-169.8-174.92107.8
9R45.1Very low42.4Very low219 Ų219159.4 Ų159.483%0.82681%0.813SS**  trans-93.5107.5173.7-86.9-174.7-177.6-171.11.4110.5F7F7-R9 PolarHBondContact O-N 3.4Å; F7-R9 VanDerWaalsContact O-N 3.15Å
10L44.6Very low42.4Very low159 Ų159155.2 Ų155.283%0.83280%0.798SS**  trans36.791.1135.3-69.3153.4000116.3N12L10-N12 VanDerWaalsContact C-N 3.29Å; L10-N12 PolarHBondContact O-N 2.85Å; L10-N12 VanDerWaalsContact O-N 3.08Å
11L40Very low42.4Very low169 Ų169157.4 Ų157.489%0.88580%0.796SS**  trans-69.191.8150.8-72.7165.3000107.6
12N42.2Very low42.8Very low128 Ų128152.9 Ų152.968%0.68478%0.776SS**  trans-103.172.2166.7-159.717.7000107.7L10 Q14L10-N12 VanDerWaalsContact C-N 3.29Å; L10-N12 PolarHBondContact O-N 2.85Å; L10-N12 VanDerWaalsContact O-N 3.08Å; N12-Q14 VanDerWaalsContact C-N 3.31Å; N12-Q14 PolarHBondContact O-N 3.14Å
13T41.7Very low43.6Very low122 Ų122154.4 Ų154.475%0.74877%0.77SS**  trans-73.891.4167.4440000107.3S15T13-S15 PolarHBondContact O-N 2.69Å
14Q44.3Very low44.7Very low157 Ų157157 Ų15773%0.73477%0.77SS**  trans-60.5107.9165.3-75.6-171.4-9.600108N12 I16N12-Q14 VanDerWaalsContact C-N 3.31Å; N12-Q14 PolarHBondContact O-N 3.14Å; Q14-I16 VanDerWaalsContact C-N 3.34Å; Q14-I16 PolarHBondContact O-N 2.77Å
15S41.7Very low46.2Very low107 Ų107152.5 Ų152.575%0.74874%0.741SS**  trans-5498.2159.3153.20000108.1T13 S17T13-S15 PolarHBondContact O-N 2.69Å; S15-S17 VanDerWaalsContact C-N 3.32Å; S15-S17 PolarHBondContact O-N 3.48Å
16I43.4Very low48.2Very low147 Ų147152.1 Ų152.175%0.75473%0.732SS**  trans-70.497.8164-64.4165.9000105.6Q14 F18Q14-I16 VanDerWaalsContact C-N 3.34Å; Q14-I16 PolarHBondContact O-N 2.77Å; I16-F18 VanDerWaalsContact C-N 3.28Å; I16-F18 PolarHBondContact O-N 3.1Å
17S40.7Very low50.5Low89 Ų89148 Ų14862%0.62270%0.703SS**  trans-64.491.916641.60000108.2S15 Q19S15-S17 VanDerWaalsContact C-N 3.32Å; S15-S17 PolarHBondContact O-N 3.48Å; S17-Q19 PolarHBondContact O-N 3.03Å
18F40.5Very low52.8Low184 Ų184143.5 Ų143.581%0.80768%0.684SS**  trans-71.371.4165.7-156.8-96.5000108.1I16 S20I16-F18 VanDerWaalsContact C-N 3.28Å; I16-F18 PolarHBondContact O-N 3.1Å; F18-S20 PolarHBondContact O-N 2.63Å
19Q42.1Very low55.4Low174 Ų174133.2 Ų133.281%0.81365%0.65SS**  trans-69.282.4164.6-83.7-176.5-21.500107.3S17 R21S17-Q19 PolarHBondContact O-N 3.03Å; Q19-R21 PolarHBondContact O-N 3.2Å
20S41.6Very low57.8Low74 Ų74127.1 Ų127.152%0.51763%0.631SS.*  trans-52.2102.5163177.10000107.9F18 I22F18-S20 PolarHBondContact O-N 2.63Å; S20-I22 PolarHBondContact O-N 2.64Å; S20-I22 WeakPolarHBondContact OG-CG1 3.26Å
21R41.6Very low60.2Low202 Ų202128 Ų12876%0.76263%0.63SS**  trans-70.582.6163.1-71.6-175.6-171.5-177.32.2106.6Q19 R23Q19-R21 PolarHBondContact O-N 3.2Å; R21-R23 PolarHBondContact O-N 2.94Å
22I51.5Low62.8Low143 Ų143120.8 Ų120.873%0.73359%0.593SS**  trans-66.176.9156.7-56.9172.5000105.7S20 K24S20-I22 PolarHBondContact O-N 2.64Å; S20-I22 WeakPolarHBondContact OG-CG1 3.26Å; I22-K24 PolarHBondContact O-N 3.06Å
23R55.4Low65.2Low195 Ų195117.6 Ų117.674%0.73658%0.58SS**  trans-65.7114156.3-74-174.6175.8177.6-1.6103.8R21 L25R21-R23 PolarHBondContact O-N 2.94Å; R23-L25 PolarHBondContact O-N 3.14Å
24K61Low67.6Low194 Ų194111.9 Ų111.984%0.84355%0.545SS*.  trans-45.5104.6175-70.9-179.5176.9-178.30107.8I22 F26I22-K24 PolarHBondContact O-N 3.06Å; K24-F26 PolarHBondContact O-N 3.22Å
25L77.4Confident70Confident38 Ų38108.3 Ų108.320%0.19954%0.535CS..  trans-68115.1172.4-167.375000105.5R23 I27 P42 K44 M107 Y110R23-L25 PolarHBondContact O-N 3.14Å; L25-I27 HydrophobicContact CD2-CD1 4.28Å; L25-I27 HydrophobicContact CD2-CG1 4.19Å; L25-I27 HydrophobicContact CG-CG1 4.31Å; L25-P42 WeakPolarHBondContact CD1-O 3.39Å; L25-K44 HydrophobicContact CD1-CD 4.36Å; L25-K44 HydrophobicContact CD1-CG 4.48Å; L25-M107 HydrophobicContact CD2-CB 4.47Å; L25-M107 HydrophobicContact CD2-CG 4.11Å; L25-Y110 HydrophobicContact CD2-CD2 4.32Å; L25-Y110 HydrophobicContact CD2-CG 4.25Å
26F86.3Confident72.6Confident148 Ų148104.5 Ų104.565%0.64951%0.506SS*.  trans-107.5103.9177.4-177.4-106.7000107.6K24 Q28K24-F26 PolarHBondContact O-N 3.22Å; F26-Q28 HydrophobicContact CD1-CG 3.75Å; F26-Q28 HydrophobicContact CE1-CG 3.47Å; F26-Q28 VanDerWaalsContact CE1-CG 3.47Å
27I92.5Very high75.1Confident10 Ų1097.5 Ų97.55%0.05147%0.471CS..  trans-85.4113.9178.9-58.9163000107.8L25 Y40 F41 Y103 I106 M107L25-I27 HydrophobicContact CD2-CD1 4.28Å; L25-I27 HydrophobicContact CD2-CG1 4.19Å; L25-I27 HydrophobicContact CG-CG1 4.31Å; I27-Y40 HydrophobicContact CG2-CD1 4Å; I27-F41 CarbonylContact C-O 3.59Å; I27-F41 VanDerWaalsContact CA-O 3.28Å; I27-F41 WeakPolarHBondContact CA-O 3.26Å; I27-Y103 HydrophobicContact CB-CD1 3.83Å; I27-Y103 HydrophobicContact CB-CE1 3.69Å; I27-Y103 HydrophobicContact CD1-CD1 3.91Å; I27-Y103 HydrophobicContact CG1-CD1 4.48Å; I27-Y103 HydrophobicContact CG2-CD1 3.94Å; I27-Y103 HydrophobicContact CG2-CE1 3.71Å; I27-I106 HydrophobicContact CD1-CB 3.74Å; I27-I106 HydrophobicContact CD1-CG2 3.51Å; I27-I106 HydrophobicContact CG1-CG2 4.09Å; I27-M107 HydrophobicContact CD1-CG 3.52Å; I27-M107 HydrophobicContact CG1-CG 4.49Å
28Q94.6Very high77.8Confident101 Ų10194 Ų9447%0.47245%0.445SS..EExtended strand (participates in β ladder)trans-83.1147170.9-67.2176.5-9.500109.8F26 Y40 F41F26-Q28 HydrophobicContact CD1-CG 3.75Å; F26-Q28 HydrophobicContact CE1-CG 3.47Å; F26-Q28 VanDerWaalsContact CE1-CG 3.47Å; Q28-Y40 CarbonylContact O-C 3.56Å; Q28-Y40 WeakPolarHBondContact O-CA 3.45Å; Q28-F41 HydrophobicContact CB-CB 4.16Å; Q28-F41 PolarHBondContact N-O 2.74Å; Q28-F41 PolarHBondContact O-N 2.93Å
29V95.5Very high80.5Confident38 Ų3885.6 Ų85.623%0.2341%0.408CS..EExtended strand (participates in β ladder)trans-122.5133.4175.4177.20000108.9L38 K39 Y40 Y103V29-L38 HydrophobicContact CG1-CB 4.26Å; V29-L38 HydrophobicContact CG1-CD1 4.07Å; V29-L38 HydrophobicContact CG1-CD2 4.42Å; V29-L38 HydrophobicContact CG1-CG 4.5Å; V29-K39 CarbonylContact C-O 3.54Å; V29-K39 VanDerWaalsContact CA-O 3.23Å; V29-K39 WeakPolarHBondContact CA-O 3.48Å; V29-Y40 HydrophobicContact CG2-CD1 3.42Å; V29-Y40 VanDerWaalsContact CG2-CD1 3.42Å; V29-Y40 HydrophobicContact CG2-CE1 3.51Å; V29-Y40 HydrophobicContact CG2-CG 4.15Å; V29-Y103 HydrophobicContact CG2-CE1 3.89Å; V29-Y103 HydrophobicContact CG2-CE2 4.42Å; V29-Y103 WeakPolarHBondContact CG2-OH 3.42Å
30Q95.9Very high83.1Confident91 Ų9177.3 Ų77.343%0.42537%0.369SS..EExtended strand (participates in β ladder)trans-123.7142.3175.5-63.2180-1.900109.6K39 F41Q30-K39 HydrophobicContact CB-CB 4.38Å; Q30-K39 PolarHBondContact N-O 3.48Å; Q30-K39 PolarHBondContact O-N 3.02Å; Q30-F41 HydrophobicContact CB-CE2 3.96Å; Q30-F41 HydrophobicContact CG-CD2 4.18Å; Q30-F41 HydrophobicContact CG-CE2 3.61Å; Q30-F41 HydrophobicContact CG-CZ 4.46Å; Q30-F41 VanDerWaalsContact OE1-CE2 3.29Å
31E95.3Very high85.8Confident176 Ų17675.1 Ų75.182%0.82235%0.35SS*.EExtended strand (participates in β ladder)trans-73.1155.2172.1-65.3177.4-175.400110.2L38E31-L38 HydrophobicContact CB-CD2 4.37Å; E31-L38 HydrophobicContact CG-CD2 4Å
32T93.8Very high88.3Confident18 Ų1865.5 Ų65.511%0.1131%0.314CS..  trans-119.7165.6172.676.20000109.2N34 S37 K39 D153T32-N34 PolarHBondContact O-N 3.31Å; T32-N34 VanDerWaalsContact O-N 3.12Å; T32-N34 PolarHBondContact OG1-N 3.45Å; T32-N34 PolarHBondContact OG1-O 3.35Å; T32-S37 PolarHBondContact OG1-O 2.91Å; T32-K39 HydrophobicContact CG2-CD 4.03Å; T32-K39 HydrophobicContact CG2-CG 3.69Å; T32-D153 VanDerWaalsContact CB-O 3.31Å; T32-D153 WeakPolarHBondContact CB-O 3.5Å; T32-D153 VanDerWaalsContact CG2-O 3.26Å; T32-D153 WeakPolarHBondContact CG2-O 3.39Å
33P92.3Very high90.2Very high61 Ų6162 Ų6240%0.39631%0.313SS..SBendtrans-59.4-19.4171.3-26.136.3000114.1D153P33-D153 WeakPolarHBondContact CD-OD1 3.38Å; P33-D153 HydrophobicContact CG-CB 4.24Å; P33-D153 WeakPolarHBondContact CG-OD1 3.46Å
34N93.3Very high91.8Very high2 Ų257.4 Ų57.41%0.01130%0.299CS..SBendtrans-86.4115.2172.4-174.6-12.6000109.5T32 N36 S37 S174 S177 C178T32-N34 PolarHBondContact O-N 3.31Å; T32-N34 VanDerWaalsContact O-N 3.12Å; T32-N34 PolarHBondContact OG1-N 3.45Å; T32-N34 PolarHBondContact OG1-O 3.35Å; N34-N36 PolarHBondContact O-N 3.35Å; N34-N36 VanDerWaalsContact O-N 3.13Å; N34-N36 WeakPolarHBondContact OD1-CB 3.12Å; N34-N36 PolarHBondContact OD1-N 2.9Å; N34-S37 PolarHBondContact ND2-OG 2.94Å; N34-S37 PolarHBondContact O-N 3.33Å; N34-S37 VanDerWaalsContact O-O 3.1Å; N34-S174 PolarHBondContact ND2-O 3.18Å; N34-S177 PolarHBondContact ND2-OG 3.2Å; N34-C178 HydrophobicContact CB-CB 3.94Å
35P93.7Very high93.4Very high82 Ų8252.6 Ų52.653%0.53229%0.287SS..THydrogen-bonded Turntrans-61.6-24-179.926.6-35.6000113.1S37 W95P35-S37 VanDerWaalsContact C-N 3.33Å; P35-W95 PolarHBondContact O-NE1 2.71Å
36N95.6Very high94.2Very high27 Ų2751.2 Ų51.214%0.14428%0.28CS..THydrogen-bonded Turntrans-88.33.1177.2-68.2-27.9000113.3N34 T88 K89 D91 W95N34-N36 PolarHBondContact O-N 3.35Å; N34-N36 VanDerWaalsContact O-N 3.13Å; N34-N36 WeakPolarHBondContact OD1-CB 3.12Å; N34-N36 PolarHBondContact OD1-N 2.9Å; N36-T88 HydrophobicContact CB-CG2 4.31Å; N36-T88 CarbonylContact O-C 3.53Å; N36-T88 WeakPolarHBondContact O-CA 3.23Å; N36-T88 WeakPolarHBondContact O-CG2 3.35Å; N36-K89 HydrophobicContact CB-CG 4.23Å; N36-K89 PolarHBondContact O-N 2.92Å; N36-K89 WeakPolarHBondContact OD1-CE 3.46Å; N36-K89 PolarHBondContact OD1-NZ 3.45Å; N36-D91 PolarHBondContact ND2-OD1 3.12Å; N36-W95 WeakPolarHBondContact O-CZ2 3.22Å
37S96.8Very high94.6Very high1 Ų146.4 Ų46.41%0.00726%0.261CS..EExtended strand (participates in β ladder)trans-126.5135.6178.3-51.50000113.2T32 N34 P35 I87 T88 S174T32-S37 PolarHBondContact OG1-O 2.91Å; N34-S37 PolarHBondContact ND2-OG 2.94Å; N34-S37 PolarHBondContact O-N 3.33Å; N34-S37 VanDerWaalsContact O-O 3.1Å; P35-S37 VanDerWaalsContact C-N 3.33Å; S37-I87 VanDerWaalsContact CA-O 3.23Å; S37-I87 WeakPolarHBondContact CA-O 2.77Å; S37-T88 PolarHBondContact OG-OG1 3.32Å; S37-S174 WeakPolarHBondContact CB-OG 3.37Å
38L97.3Very high94.5Very high14 Ų1448.3 Ų48.37%0.07328%0.283CS..EExtended strand (participates in β ladder)trans-125.7142.4172.7-71.4-179.1000110.9V29 E31 Y40 T86 I87 W95V29-L38 HydrophobicContact CG1-CB 4.26Å; V29-L38 HydrophobicContact CG1-CD1 4.07Å; V29-L38 HydrophobicContact CG1-CD2 4.42Å; V29-L38 HydrophobicContact CG1-CG 4.5Å; E31-L38 HydrophobicContact CB-CD2 4.37Å; E31-L38 HydrophobicContact CG-CD2 4Å; L38-Y40 HydrophobicContact CB-CD2 4.49Å; L38-Y40 HydrophobicContact CB-CE2 3.78Å; L38-T86 WeakPolarHBondContact O-CA 3.29Å; L38-I87 PolarHBondContact N-O 3.27Å; L38-I87 PolarHBondContact O-N 3.27Å; L38-W95 HydrophobicContact CB-CH2 4.08Å; L38-W95 HydrophobicContact CB-CZ2 4.01Å; L38-W95 HydrophobicContact CB-CZ3 4.48Å; L38-W95 HydrophobicContact CD1-CB 4.41Å; L38-W95 HydrophobicContact CD1-CD2 3.43Å; L38-W95 VanDerWaalsContact CD1-CD2 3.43Å; L38-W95 HydrophobicContact CD1-CE3 3.7Å; L38-W95 HydrophobicContact CD1-CG 3.79Å; L38-W95 HydrophobicContact CD1-CH2 4.34Å; L38-W95 HydrophobicContact CD1-CZ2 4.09Å; L38-W95 HydrophobicContact CD1-CZ3 4.16Å; L38-W95 HydrophobicContact CG-CD2 3.92Å; L38-W95 HydrophobicContact CG-CE3 4.33Å; L38-W95 HydrophobicContact CG-CG 4.45Å; L38-W95 HydrophobicContact CG-CH2 4.12Å; L38-W95 HydrophobicContact CG-CZ2 3.65Å; L38-W95 HydrophobicContact CG-CZ3 4.43Å
39K97.2Very high94.3Very high8 Ų848 Ų484%0.03529%0.293CS..EExtended strand (participates in β ladder)trans-95.4132.2173.2-70.217672.7170.50110.7V29 Q30 T32 F41 F84 I85 Q151 E152V29-K39 CarbonylContact C-O 3.54Å; V29-K39 VanDerWaalsContact CA-O 3.23Å; V29-K39 WeakPolarHBondContact CA-O 3.48Å; Q30-K39 HydrophobicContact CB-CB 4.38Å; Q30-K39 PolarHBondContact N-O 3.48Å; Q30-K39 PolarHBondContact O-N 3.02Å; T32-K39 HydrophobicContact CG2-CD 4.03Å; T32-K39 HydrophobicContact CG2-CG 3.69Å; K39-F41 HydrophobicContact CB-CE2 3.81Å; K39-F41 HydrophobicContact CB-CZ 4.4Å; K39-F84 HydrophobicContact CD-CD2 4.35Å; K39-F84 VanDerWaalsContact CE-CD2 3.42Å; K39-F84 VanDerWaalsContact CE-CG 3.45Å; K39-F84 HydrophobicContact CG-CD2 4.21Å; K39-I85 CarbonylContact C-O 3.55Å; K39-I85 WeakPolarHBondContact CA-O 3.44Å; K39-Q151 PolarHBondContact NZ-O 3.49Å; K39-E152 WeakPolarHBondContact CD-O 3.44Å; K39-E152 PolarHBondContact NZ-O 3.37Å
40Y97.5Very high94.2Very high0 Ų048.1 Ų48.10%030%0.301CS..EExtended strand (participates in β ladder)trans-115125.2176.9-65.6-103.2000109.2I27 Q28 V29 L38 P42 F84 I85 I87 V102 I106I27-Y40 HydrophobicContact CG2-CD1 4Å; Q28-Y40 CarbonylContact O-C 3.56Å; Q28-Y40 WeakPolarHBondContact O-CA 3.45Å; V29-Y40 HydrophobicContact CG2-CD1 3.42Å; V29-Y40 VanDerWaalsContact CG2-CD1 3.42Å; V29-Y40 HydrophobicContact CG2-CE1 3.51Å; V29-Y40 HydrophobicContact CG2-CG 4.15Å; L38-Y40 HydrophobicContact CB-CD2 4.49Å; L38-Y40 HydrophobicContact CB-CE2 3.78Å; Y40-P42 WeakPolarHBondContact O-CD 3.36Å; Y40-F84 CarbonylContact O-C 3.52Å; Y40-F84 VanDerWaalsContact O-CA 3.32Å; Y40-F84 WeakPolarHBondContact O-CA 3.44Å; Y40-I85 PolarHBondContact N-O 2.76Å; Y40-I85 PolarHBondContact O-N 2.84Å; Y40-I87 HydrophobicContact CD2-CB 4.43Å; Y40-I87 HydrophobicContact CD2-CG1 3.85Å; Y40-I87 HydrophobicContact CE2-CB 4Å; Y40-I87 HydrophobicContact CE2-CG1 3.75Å; Y40-V102 HydrophobicContact CD1-CG1 3.81Å; Y40-V102 HydrophobicContact CD2-CG1 4.21Å; Y40-V102 HydrophobicContact CE1-CB 4.11Å; Y40-V102 HydrophobicContact CE1-CG1 3.45Å; Y40-V102 VanDerWaalsContact CE1-CG1 3.45Å; Y40-V102 HydrophobicContact CE2-CG1 3.9Å; Y40-V102 HydrophobicContact CG-CG1 4.18Å; Y40-I106 HydrophobicContact CD1-CD1 4.05Å; Y40-I106 HydrophobicContact CG-CD1 4.02Å
41F96.4Very high94.1Very high28 Ų2844.9 Ų44.912%0.12329%0.288CS..EExtended strand (participates in β ladder)trans-110102.5178.3-63.2-99.8000108.7I27 Q28 Q30 K39 G43 F84I27-F41 CarbonylContact C-O 3.59Å; I27-F41 VanDerWaalsContact CA-O 3.28Å; I27-F41 WeakPolarHBondContact CA-O 3.26Å; Q28-F41 HydrophobicContact CB-CB 4.16Å; Q28-F41 PolarHBondContact N-O 2.74Å; Q28-F41 PolarHBondContact O-N 2.93Å; Q30-F41 HydrophobicContact CB-CE2 3.96Å; Q30-F41 HydrophobicContact CG-CD2 4.18Å; Q30-F41 HydrophobicContact CG-CE2 3.61Å; Q30-F41 HydrophobicContact CG-CZ 4.46Å; Q30-F41 VanDerWaalsContact OE1-CE2 3.29Å; K39-F41 HydrophobicContact CB-CE2 3.81Å; K39-F41 HydrophobicContact CB-CZ 4.4Å; F41-G43 PolarHBondContact O-N 3.12Å; F41-G43 VanDerWaalsContact O-N 3.14Å; F41-F84 HydrophobicContact CD1-CB 3.79Å; F41-F84 HydrophobicContact CE1-CB 3.65Å; F41-F84 HydrophobicContact CE1-CD1 4.41Å; F41-F84 HydrophobicContact CE1-CG 4.39Å; F41-F84 HydrophobicContact CE2-CB 4.4Å; F41-F84 HydrophobicContact CG-CB 4.27Å; F41-F84 HydrophobicContact CZ-CB 3.98Å
42P93.9Very high94.1Very high0 Ų039.2 Ų39.20%026%0.259CS..  trans-70.3-5.2-178.326.2-32.4000114.2L25 Y40 K44 V46 I85 I106 Y110L25-P42 WeakPolarHBondContact CD1-O 3.39Å; Y40-P42 WeakPolarHBondContact O-CD 3.36Å; P42-K44 PolarHBondContact O-N 3.39Å; P42-V46 HydrophobicContact CG-CG2 3.76Å; P42-I85 HydrophobicContact CG-CD1 4.47Å; P42-I106 HydrophobicContact CB-CG2 4.01Å; P42-Y110 HydrophobicContact CB-CD2 3.92Å; P42-Y110 HydrophobicContact CB-CE2 3.44Å; P42-Y110 VanDerWaalsContact CB-CE2 3.44Å; P42-Y110 HydrophobicContact CG-CE2 3.6Å; P42-Y110 WeakPolarHBondContact CG-OH 3.35Å
43G91.4Very high94.2Very high70 Ų7039.1 Ų39.172%0.72226%0.257SS*.SBendtrans74.512.8-175.900000113.7F41F41-G43 PolarHBondContact O-N 3.12Å; F41-G43 VanDerWaalsContact O-N 3.14Å
44K91Very high94.3Very high98 Ų9836.3 Ų36.343%0.42624%0.239SC..SBendtrans-134.3154171-66.3-178.7-176.21740108.2L25 P42 V46 Y110L25-K44 HydrophobicContact CD1-CD 4.36Å; L25-K44 HydrophobicContact CD1-CG 4.48Å; P42-K44 PolarHBondContact O-N 3.39Å; K44-V46 PolarHBondContact O-N 3.45Å; K44-Y110 HydrophobicContact CB-CD1 4.38Å; K44-Y110 HydrophobicContact CB-CE1 3.86Å; K44-Y110 HydrophobicContact CD-CD1 3.68Å; K44-Y110 HydrophobicContact CD-CE1 3.99Å
45P92.8Very high94.2Very high93 Ų9337.1 Ų37.160%0.60424%0.244SC*.  trans-53.1137.9169.9-24.534.4000111.1Y110P45-Y110 PolarHBondContact O-OH 3Å
46V94.8Very high94.1Very high9 Ų934.6 Ų34.66%0.05523%0.229CC..SBendtrans-92.6-62.7176178.30000108.3P42 K44 F80 P82 I85 Y110 V116P42-V46 HydrophobicContact CG-CG2 3.76Å; K44-V46 PolarHBondContact O-N 3.45Å; V46-F80 HydrophobicContact CG1-CB 3.84Å; V46-F80 HydrophobicContact CG1-CD1 4.04Å; V46-F80 HydrophobicContact CG1-CD2 4.2Å; V46-F80 HydrophobicContact CG1-CG 3.77Å; V46-P82 PolarHBondContact N-O 2.94Å; V46-I85 HydrophobicContact CG1-CG1 3.93Å; V46-I85 HydrophobicContact CG2-CD1 4.34Å; V46-I85 HydrophobicContact CG2-CG1 3.91Å; V46-Y110 WeakPolarHBondContact CG2-OH 3.35Å; V46-V116 HydrophobicContact CG1-CG1 4.09Å
47L94.1Very high93.9Very high48 Ų4836.8 Ų36.825%0.25125%0.245SC..SBendtrans-103.7-23.9169-62.7177.2000112.4S49 R52 F80 G81 P82 V117L47-S49 WeakPolarHBondContact CB-O 3.27Å; L47-S49 PolarHBondContact O-N 3.12Å; L47-S49 VanDerWaalsContact O-N 3.07Å; L47-R52 HydrophobicContact CD1-CB 3.84Å; L47-F80 HydrophobicContact CD1-CB 3.75Å; L47-F80 WeakPolarHBondContact CD1-O 3.48Å; L47-F80 HydrophobicContact CD2-CB 4.37Å; L47-F80 HydrophobicContact CD2-CD2 4.29Å; L47-F80 HydrophobicContact CG-CB 3.88Å; L47-G81 PolarHBondContact N-O 2.88Å; L47-P82 PolarHBondContact N-O 2.69Å; L47-V117 HydrophobicContact CD2-CG2 3.76Å
48G91.2Very high93.5Very high49 Ų4941.2 Ų41.251%0.50527%0.273SS..SBendtrans78.9-37.4-173.800000113.8P82G48-P82 PolarHBondContact N-O 2.65Å
49S91.1Very high93Very high96 Ų9643.1 Ų43.167%0.67128%0.281SS*.SBendtrans-149.4157.2171.162.30000110.8L47L47-S49 WeakPolarHBondContact CB-O 3.27Å; L47-S49 PolarHBondContact O-N 3.12Å; L47-S49 VanDerWaalsContact O-N 3.07Å
50G92.3Very high92.7Very high40 Ų4042.8 Ų42.841%0.41228%0.28SS..SBendtrans65.8-166.5-179.300000113.4
51T95Very high92.2Very high23 Ų2347.5 Ų47.514%0.14131%0.309CS..  trans-140.8155.5-173.456.40000109.7F79 F80 Q151 D156T51-F79 HydrophobicContact CG2-CE1 4.42Å; T51-F79 HydrophobicContact CG2-CE2 4.41Å; T51-F79 HydrophobicContact CG2-CZ 3.63Å; T51-F80 CarbonylContact C-O 3.52Å; T51-F80 VanDerWaalsContact CA-O 3.23Å; T51-F80 WeakPolarHBondContact CA-O 3.48Å; T51-Q151 HydrophobicContact CG2-CG 4.32Å; T51-D156 WeakPolarHBondContact CB-OD2 3.29Å; T51-D156 HydrophobicContact CG2-CB 4.11Å; T51-D156 VanDerWaalsContact CG2-OD2 3.22Å; T51-D156 WeakPolarHBondContact CG2-OD2 3.31Å; T51-D156 PolarHBondContact OG1-OD2 3.46Å
52R94.5Very high91.9Very high56 Ų5647.7 Ų47.721%0.21131%0.314CS..EExtended strand (participates in β ladder)trans-145.9122.2174-169.8165.6-80.4-178.5-6.9110.4L47 F54 F80L47-R52 HydrophobicContact CD1-CB 3.84Å; R52-F54 HydrophobicContact CB-CE2 4.25Å; R52-F54 HydrophobicContact CB-CZ 4.35Å; R52-F54 VanDerWaalsContact CD-CZ 3.45Å; R52-F54 HydrophobicContact CG-CE1 4.08Å; R52-F54 HydrophobicContact CG-CE2 3.84Å; R52-F54 HydrophobicContact CG-CZ 3.54Å; R52-F80 PolarHBondContact N-O 2.91Å; R52-F80 PolarHBondContact O-N 3.35Å
53D94.9Very high92Very high16 Ų1647.7 Ų47.79%0.08631%0.314CS..EExtended strand (participates in β ladder)trans-98.1137.4180-17035.1000110.4R77 F79 Q172 G173D53-R77 IonicContact OD1-NH1 2.73Å; D53-R77 PolarHBondContact OD1-NH1 3.39Å; D53-R77 VanDerWaalsContact OD1-NH1 3.15Å; D53-R77 IonicContact OD2-NH1 2.87Å; D53-R77 PolarHBondContact OD2-NH1 2.89Å; D53-F79 HydrophobicContact CB-CD2 3.88Å; D53-F79 HydrophobicContact CB-CE2 4.44Å; D53-Q172 HydrophobicContact CB-CB 3.91Å; D53-Q172 HydrophobicContact CB-CG 3.86Å; D53-G173 PolarHBondContact OD1-N 2.88Å
54F94.9Very high92.1Very high3 Ų345 Ų451%0.01328%0.283CS..EExtended strand (participates in β ladder)trans-124.491.5172.1-54-81.9000107.7R52 S56 Q59 A66 F70 R77 V78 F80R52-F54 HydrophobicContact CB-CE2 4.25Å; R52-F54 HydrophobicContact CB-CZ 4.35Å; R52-F54 VanDerWaalsContact CD-CZ 3.45Å; R52-F54 HydrophobicContact CG-CE1 4.08Å; R52-F54 HydrophobicContact CG-CE2 3.84Å; R52-F54 HydrophobicContact CG-CZ 3.54Å; F54-S56 PolarHBondContact O-N 2.61Å; F54-Q59 WeakPolarHBondContact CD1-O 3.27Å; F54-A66 HydrophobicContact CD1-CB 4.3Å; F54-A66 HydrophobicContact CD2-CB 3.89Å; F54-A66 HydrophobicContact CE1-CB 4.38Å; F54-A66 HydrophobicContact CE2-CB 4.01Å; F54-A66 HydrophobicContact CG-CB 4.03Å; F54-A66 HydrophobicContact CZ-CB 4.23Å; F54-F70 HydrophobicContact CB-CE2 3.77Å; F54-F70 HydrophobicContact CB-CZ 3.95Å; F54-F70 WeakPolarHBondContact O-CZ 3.43Å; F54-R77 WeakPolarHBondContact O-CG 3.48Å; F54-V78 WeakPolarHBondContact CA-O 3.37Å; F54-V78 HydrophobicContact CB-CB 4.34Å; F54-V78 VanDerWaalsContact CB-O 3.27Å; F54-V78 WeakPolarHBondContact CB-O 3.48Å; F54-V78 HydrophobicContact CD2-CB 4.43Å; F54-V78 HydrophobicContact CD2-CG1 4.34Å; F54-V78 WeakPolarHBondContact CD2-O 3.45Å; F54-V78 PolarHBondContact N-O 3.05Å; F54-V78 PolarHBondContact O-N 3.1Å; F54-V78 VanDerWaalsContact O-N 3.11Å; F54-F80 HydrophobicContact CD2-CD2 4.5Å; F54-F80 HydrophobicContact CD2-CE2 4.42Å; F54-F80 AromaticContact CE2-CD2 3.51Å; F54-F80 HydrophobicContact CE2-CD2 3.51Å; F54-F80 AromaticContact CE2-CE2 3.51Å; F54-F80 HydrophobicContact CE2-CE2 3.51Å; F54-F80 HydrophobicContact CE2-CG 4.09Å; F54-F80 HydrophobicContact CE2-CZ 4.11Å; F54-F80 HydrophobicContact CZ-CD2 4.22Å; F54-F80 HydrophobicContact CZ-CE2 4.09Å
55P92.2Very high92.4Very high18 Ų1840.3 Ų40.312%0.11726%0.263CS..  trans-65.2-21.5-179.4-23.834.1000114.6
56S91.7Very high92.6Very high30 Ų3035.9 Ų35.921%0.2123%0.234CC..SBendtrans-156.9164.3-177.257.60000111.5F54 T58 Q59F54-S56 PolarHBondContact O-N 2.61Å; S56-T58 PolarHBondContact O-N 2.94Å; S56-T58 PolarHBondContact OG-OG1 3.48Å; S56-T58 VanDerWaalsContact OG-OG1 3.1Å; S56-Q59 PolarHBondContact O-N 3.32Å; S56-Q59 VanDerWaalsContact O-N 3.14Å
57C90.7Very high92.6Very high73 Ų7340.8 Ų40.849%0.49325%0.252SS..G310 helixtrans-57.3-35.1178-178.50000112.8Q59 S60 F70C57-Q59 PolarHBondContact O-N 2.88Å; C57-S60 WeakPolarHBondContact O-CB 3.38Å; C57-S60 PolarHBondContact O-N 2.87Å; C57-S60 VanDerWaalsContact O-N 3.13Å; C57-S60 PolarHBondContact O-OG 3.46Å; C57-F70 HydrophobicContact CB-CB 3.93Å; C57-F70 HydrophobicContact CB-CD1 4.1Å; C57-F70 HydrophobicContact CB-CD2 4.36Å; C57-F70 HydrophobicContact CB-CG 3.89Å
58T88.8Confident92.7Very high94 Ų9441 Ų4158%0.57725%0.252SS*.G310 helixtrans-64.4-30-179.457.10000112.4S56 S60 T61S56-T58 PolarHBondContact O-N 2.94Å; S56-T58 PolarHBondContact OG-OG1 3.48Å; S56-T58 VanDerWaalsContact OG-OG1 3.1Å; T58-S60 VanDerWaalsContact C-N 3.34Å; T58-T61 PolarHBondContact O-OG1 3Å
59Q87.4Confident93Very high53 Ų5338.7 Ų38.725%0.24823%0.228CC..G310 helixtrans-85.8-6.5179.2-61.6-167.558.600113.4F54 S56 C57 T61 D211F54-Q59 WeakPolarHBondContact CD1-O 3.27Å; S56-Q59 PolarHBondContact O-N 3.32Å; S56-Q59 VanDerWaalsContact O-N 3.14Å; C57-Q59 PolarHBondContact O-N 2.88Å; Q59-T61 PolarHBondContact O-N 3.29Å; Q59-D211 PolarHBondContact NE2-OD1 3.41Å; Q59-D211 PolarHBondContact OE1-OD1 2.73Å; Q59-D211 VanDerWaalsContact OE1-OD1 3.12Å
60S89.4Confident93.2Very high2 Ų235.3 Ų35.31%0.01420%0.201CC..G310 helixtrans-74.9-1.3-179.1740000114.6C57 T58 S62 S63 R67 F70C57-S60 WeakPolarHBondContact O-CB 3.38Å; C57-S60 PolarHBondContact O-N 2.87Å; C57-S60 VanDerWaalsContact O-N 3.13Å; C57-S60 PolarHBondContact O-OG 3.46Å; T58-S60 VanDerWaalsContact C-N 3.34Å; S60-S62 PolarHBondContact O-N 3.02Å; S60-S62 VanDerWaalsContact O-N 3.07Å; S60-S63 CarbonylContact O-C 3.56Å; S60-S63 PolarHBondContact O-N 2.94Å; S60-R67 WeakPolarHBondContact O-CG 3.41Å; S60-R67 WeakPolarHBondContact OG-CG 3.39Å; S60-F70 VanDerWaalsContact CB-CD2 3.48Å
61T87.9Confident93.4Very high98 Ų9843.2 Ų43.260%0.60122%0.218SC*.G310 helixtrans-53.3-36.6-172.9-42.80000113.4T58 Q59 S63T58-T61 PolarHBondContact O-OG1 3Å; Q59-T61 PolarHBondContact O-N 3.29Å; T61-S63 PolarHBondContact O-N 3.38Å
62S90.9Very high93.4Very high33 Ų3342.8 Ų42.823%0.23122%0.215CC..G310 helixtrans-75.9-3.7-179.563.40000114.3S60 V117 S118S60-S62 PolarHBondContact O-N 3.02Å; S60-S62 VanDerWaalsContact O-N 3.07Å; S62-V117 CarbonylContact O-C 3.58Å; S62-V117 VanDerWaalsContact O-CA 3.31Å; S62-V117 WeakPolarHBondContact O-CA 3.37Å; S62-S118 PolarHBondContact O-N 2.89Å; S62-S118 PolarHBondContact O-OG 2.9Å
63S94.4Very high93.4Very high0 Ų047.2 Ų47.20%024%0.238CC..  trans-134114.8179.8174.50000112S60 T61 L65 A66 R67 F80 V116S60-S63 CarbonylContact O-C 3.56Å; S60-S63 PolarHBondContact O-N 2.94Å; T61-S63 PolarHBondContact O-N 3.38Å; S63-L65 VanDerWaalsContact C-N 3.26Å; S63-L65 PolarHBondContact O-N 2.91Å; S63-L65 PolarHBondContact OG-N 3.38Å; S63-A66 PolarHBondContact O-N 3.34Å; S63-A66 PolarHBondContact OG-N 2.93Å; S63-R67 PolarHBondContact O-N 3.2Å; S63-R67 VanDerWaalsContact O-N 3.09Å; S63-F80 VanDerWaalsContact OG-CE2 3.28Å; S63-F80 WeakPolarHBondContact OG-CE2 3.38Å; S63-V116 WeakPolarHBondContact CA-O 3.33Å; S63-V116 VanDerWaalsContact CB-O 3.23Å; S63-V116 WeakPolarHBondContact CB-O 3.39Å; S63-V116 PolarHBondContact OG-O 2.89Å
64P95Very high93.4Very high13 Ų1346.9 Ų46.98%0.08424%0.238CC..Hα-helixtrans-58.4-36.4169.5-22.833.7000113.2Q68 F109 V116P64-Q68 WeakPolarHBondContact O-CG 3.47Å; P64-Q68 PolarHBondContact O-N 3.37Å; P64-F109 HydrophobicContact CB-CE2 3.95Å; P64-V116 WeakPolarHBondContact CD-O 3.23Å
65L96.3Very high93.5Very high0 Ų047.4 Ų47.40%024%0.242CC..Hα-helixtrans-66.3-48.5176.5175.557.5000111.7S63 R67 Q68 L69 F80 I85 F109 V116S63-L65 VanDerWaalsContact C-N 3.26Å; S63-L65 PolarHBondContact O-N 2.91Å; S63-L65 PolarHBondContact OG-N 3.38Å; L65-R67 VanDerWaalsContact C-N 3.3Å; L65-R67 PolarHBondContact O-N 3.12Å; L65-Q68 PolarHBondContact O-N 3.49Å; L65-Q68 VanDerWaalsContact O-N 3.08Å; L65-L69 HydrophobicContact CD1-CD1 3.92Å; L65-L69 HydrophobicContact CD1-CG 4.1Å; L65-L69 HydrophobicContact CG-CD1 3.87Å; L65-L69 HydrophobicContact CG-CG 4.5Å; L65-L69 WeakPolarHBondContact O-CG 3.44Å; L65-L69 PolarHBondContact O-N 3.34Å; L65-F80 HydrophobicContact CB-CZ 4.04Å; L65-F80 HydrophobicContact CD2-CE1 4.05Å; L65-F80 HydrophobicContact CD2-CZ 3.79Å; L65-F80 HydrophobicContact CG-CE1 4.29Å; L65-F80 HydrophobicContact CG-CZ 3.8Å; L65-I85 HydrophobicContact CD2-CD1 3.79Å; L65-F109 HydrophobicContact CB-CD1 3.97Å; L65-F109 HydrophobicContact CB-CD2 3.94Å; L65-F109 HydrophobicContact CB-CE1 3.85Å; L65-F109 HydrophobicContact CB-CE2 3.83Å; L65-F109 HydrophobicContact CB-CG 4.02Å; L65-F109 HydrophobicContact CB-CZ 3.78Å; L65-F109 HydrophobicContact CD1-CB 3.8Å; L65-F109 HydrophobicContact CD1-CD1 3.92Å; L65-F109 HydrophobicContact CD1-CD2 4.15Å; L65-F109 HydrophobicContact CD1-CG 3.64Å; L65-F109 HydrophobicContact CD2-CD1 4.04Å; L65-F109 HydrophobicContact CD2-CE1 4.24Å; L65-F109 HydrophobicContact CG-CD1 4.18Å; L65-F109 HydrophobicContact CG-CE1 4.46Å; L65-F109 HydrophobicContact CG-CG 4.27Å; L65-V116 HydrophobicContact CD2-CG1 4.19Å
66A96.5Very high93.6Very high0 Ų051.4 Ų51.40%026%0.259CS..Hα-helixtrans-59.4-44.417900000110.7F54 S63 Q68 L69 F70 V78 F80F54-A66 HydrophobicContact CD1-CB 4.3Å; F54-A66 HydrophobicContact CD2-CB 3.89Å; F54-A66 HydrophobicContact CE1-CB 4.38Å; F54-A66 HydrophobicContact CE2-CB 4.01Å; F54-A66 HydrophobicContact CG-CB 4.03Å; F54-A66 HydrophobicContact CZ-CB 4.23Å; S63-A66 PolarHBondContact O-N 3.34Å; S63-A66 PolarHBondContact OG-N 2.93Å; A66-Q68 VanDerWaalsContact C-N 3.27Å; A66-Q68 PolarHBondContact O-N 3.21Å; A66-L69 PolarHBondContact O-N 3.45Å; A66-L69 VanDerWaalsContact O-N 3.14Å; A66-F70 HydrophobicContact CB-CD2 4.46Å; A66-F70 HydrophobicContact CB-CE2 4.33Å; A66-F70 WeakPolarHBondContact O-CD2 3.37Å; A66-F70 PolarHBondContact O-N 2.98Å; A66-V78 HydrophobicContact CB-CG1 4.37Å; A66-F80 HydrophobicContact CB-CE2 4.34Å; A66-F80 HydrophobicContact CB-CZ 3.94Å
67R95.4Very high93.8Very high112 Ų11251.9 Ų51.942%0.42326%0.256SS..Hα-helixtrans-56.3-38.7174.6-78.1-176.5-62.6163.30.9113.5S60 S63 L65 R71S60-R67 WeakPolarHBondContact O-CG 3.41Å; S60-R67 WeakPolarHBondContact OG-CG 3.39Å; S63-R67 PolarHBondContact O-N 3.2Å; S63-R67 VanDerWaalsContact O-N 3.09Å; L65-R67 VanDerWaalsContact C-N 3.3Å; L65-R67 PolarHBondContact O-N 3.12Å; R67-R71 WeakPolarHBondContact O-CG 3.48Å
68Q95.9Very high94.1Very high53 Ų5348.4 Ų48.425%0.24823%0.232CC..Hα-helixtrans-71.7-40.5178.1-70.2175.734.400111.2P64 L65 A66 F70 R71 T105P64-Q68 WeakPolarHBondContact O-CG 3.47Å; P64-Q68 PolarHBondContact O-N 3.37Å; L65-Q68 PolarHBondContact O-N 3.49Å; L65-Q68 VanDerWaalsContact O-N 3.08Å; A66-Q68 VanDerWaalsContact C-N 3.27Å; A66-Q68 PolarHBondContact O-N 3.21Å; Q68-F70 PolarHBondContact O-N 3.09Å; Q68-R71 WeakPolarHBondContact O-CB 3.36Å; Q68-R71 PolarHBondContact O-N 3.24Å; Q68-R71 VanDerWaalsContact O-N 3.13Å; Q68-T105 HydrophobicContact CB-CG2 3.63Å
69L97.1Very high94.5Very high0 Ų044 Ų440%021%0.205CC..Hα-helixtrans-63.3-39.6177.2-70.8164.5000112.3L65 A66 R71 I72 V78 F80 I85 I87 V102 T105 I106L65-L69 HydrophobicContact CD1-CD1 3.92Å; L65-L69 HydrophobicContact CD1-CG 4.1Å; L65-L69 HydrophobicContact CG-CD1 3.87Å; L65-L69 HydrophobicContact CG-CG 4.5Å; L65-L69 WeakPolarHBondContact O-CG 3.44Å; L65-L69 PolarHBondContact O-N 3.34Å; A66-L69 PolarHBondContact O-N 3.45Å; A66-L69 VanDerWaalsContact O-N 3.14Å; L69-R71 PolarHBondContact O-N 3.06Å; L69-I72 HydrophobicContact CD2-CD1 4.13Å; L69-I72 WeakPolarHBondContact O-CB 3.48Å; L69-I72 WeakPolarHBondContact O-CG1 3.5Å; L69-I72 PolarHBondContact O-N 2.94Å; L69-I72 VanDerWaalsContact O-N 3.1Å; L69-V78 HydrophobicContact CB-CG2 3.86Å; L69-V78 HydrophobicContact CD1-CG1 3.77Å; L69-V78 HydrophobicContact CD1-CG2 4.32Å; L69-F80 HydrophobicContact CD1-CE1 4.18Å; L69-I85 HydrophobicContact CD1-CG2 4.1Å; L69-I87 HydrophobicContact CB-CD1 4.45Å; L69-I87 HydrophobicContact CD1-CD1 3.85Å; L69-I87 HydrophobicContact CD2-CD1 4.01Å; L69-I87 HydrophobicContact CG-CD1 4.33Å; L69-V102 HydrophobicContact CD2-CG1 4.14Å; L69-T105 HydrophobicContact CD2-CG2 3.98Å; L69-T105 HydrophobicContact CG-CG2 4.21Å; L69-I106 HydrophobicContact CD2-CG1 4.17Å
70F96.7Very high95Very high24 Ų2441.5 Ų41.511%0.10519%0.193CC..THydrogen-bonded Turntrans-67.3-10.6175.2-78.5-63.9000114.7F54 C57 S60 A66 Q68 I72 V75 E76 V78F54-F70 HydrophobicContact CB-CE2 3.77Å; F54-F70 HydrophobicContact CB-CZ 3.95Å; F54-F70 WeakPolarHBondContact O-CZ 3.43Å; C57-F70 HydrophobicContact CB-CB 3.93Å; C57-F70 HydrophobicContact CB-CD1 4.1Å; C57-F70 HydrophobicContact CB-CD2 4.36Å; C57-F70 HydrophobicContact CB-CG 3.89Å; S60-F70 VanDerWaalsContact CB-CD2 3.48Å; A66-F70 HydrophobicContact CB-CD2 4.46Å; A66-F70 HydrophobicContact CB-CE2 4.33Å; A66-F70 WeakPolarHBondContact O-CD2 3.37Å; A66-F70 PolarHBondContact O-N 2.98Å; Q68-F70 PolarHBondContact O-N 3.09Å; F70-I72 VanDerWaalsContact C-N 3.28Å; F70-V75 HydrophobicContact CD1-CG1 4.2Å; F70-V75 HydrophobicContact CE1-CG1 4.44Å; F70-E76 WeakPolarHBondContact CE1-O 3.38Å; F70-V78 HydrophobicContact CD1-CG2 4.45Å; F70-V78 HydrophobicContact CD2-CG2 4.23Å; F70-V78 HydrophobicContact CE1-CG2 4.1Å; F70-V78 HydrophobicContact CE2-CB 4.03Å; F70-V78 HydrophobicContact CE2-CG2 3.83Å; F70-V78 HydrophobicContact CZ-CB 4Å; F70-V78 HydrophobicContact CZ-CG2 3.78Å
71R95.5Very high95.4Very high206 Ų20641.4 Ų41.478%0.77719%0.193SC*.THydrogen-bonded Turntrans-79.8-15172.6-67.2172.1179.2-169.6-4.6112.6R67 Q68 L69 E73R67-R71 WeakPolarHBondContact O-CG 3.48Å; Q68-R71 WeakPolarHBondContact O-CB 3.36Å; Q68-R71 PolarHBondContact O-N 3.24Å; Q68-R71 VanDerWaalsContact O-N 3.13Å; L69-R71 PolarHBondContact O-N 3.06Å; R71-E73 PolarHBondContact O-N 2.87Å
72I95.9Very high95.7Very high14 Ų1438.4 Ų38.47%0.07218%0.175CC..SBendtrans-76.7123.8177.3-55.4167000107.1L69 F70 G74 V75 I98 D101 V102L69-I72 HydrophobicContact CD2-CD1 4.13Å; L69-I72 WeakPolarHBondContact O-CB 3.48Å; L69-I72 WeakPolarHBondContact O-CG1 3.5Å; L69-I72 PolarHBondContact O-N 2.94Å; L69-I72 VanDerWaalsContact O-N 3.1Å; F70-I72 VanDerWaalsContact C-N 3.28Å; I72-G74 PolarHBondContact O-N 3.17Å; I72-V75 HydrophobicContact CB-CG2 3.81Å; I72-V75 HydrophobicContact CG2-CG2 4.07Å; I72-V75 PolarHBondContact O-N 3.01Å; I72-I98 HydrophobicContact CG2-CG2 4.2Å; I72-D101 HydrophobicContact CD1-CB 4.16Å; I72-D101 HydrophobicContact CG1-CB 4.09Å; I72-D101 HydrophobicContact CG2-CB 3.7Å; I72-V102 HydrophobicContact CD1-CB 4.24Å; I72-V102 HydrophobicContact CD1-CG2 3.65Å
73E94.7Very high95.9Very high150 Ų15040.8 Ų40.870%0.70119%0.185SC*.THydrogen-bonded Turntrans-60133.6178.4-153.8-176.617100110.3R71 F93R71-E73 PolarHBondContact O-N 2.87Å; E73-F93 HydrophobicContact CB-CE1 3.96Å; E73-F93 HydrophobicContact CB-CZ 4.26Å; E73-F93 HydrophobicContact CG-CE1 3.66Å; E73-F93 HydrophobicContact CG-CE2 4.47Å; E73-F93 HydrophobicContact CG-CZ 3.47Å; E73-F93 VanDerWaalsContact CG-CZ 3.47Å; E73-F93 WeakPolarHBondContact OE1-CZ 3.17Å
74G94.6Very high96Very high8 Ų841 Ų418%0.08219%0.186CC..THydrogen-bonded Turntrans90.9-9.5-17700000115.7I72 E76 K89 N90I72-G74 PolarHBondContact O-N 3.17Å; G74-E76 PolarHBondContact O-N 3.36Å; G74-K89 CarbonylContact O-C 3.5Å; G74-K89 WeakPolarHBondContact O-CA 3.23Å; G74-K89 WeakPolarHBondContact O-CB 3.49Å; G74-N90 WeakPolarHBondContact CA-OD1 3.31Å; G74-N90 PolarHBondContact O-N 3.29Å; G74-N90 PolarHBondContact O-OD1 3.14Å
75V96.5Very high96.1Very high15 Ų1540.4 Ų40.49%0.09118%0.182CC..EExtended strand (participates in β ladder)trans-78.9112174.7175.50000110.8F70 I72 V78 I87 I98F70-V75 HydrophobicContact CD1-CG1 4.2Å; F70-V75 HydrophobicContact CE1-CG1 4.44Å; I72-V75 HydrophobicContact CB-CG2 3.81Å; I72-V75 HydrophobicContact CG2-CG2 4.07Å; I72-V75 PolarHBondContact O-N 3.01Å; V75-V78 HydrophobicContact CG1-CG2 3.82Å; V75-I87 HydrophobicContact CB-CG2 4.48Å; V75-I87 HydrophobicContact CG1-CG2 3.99Å; V75-I87 HydrophobicContact CG2-CG2 3.86Å; V75-I98 HydrophobicContact CG2-CG2 4.05Å
76E94.5Very high96.2Very high102 Ų10240.4 Ų40.448%0.47718%0.182SC..EExtended strand (participates in β ladder)trans-92.4-40.7-178-173.8-173.1171.500112.6F70 G74 T88F70-E76 WeakPolarHBondContact CE1-O 3.38Å; G74-E76 PolarHBondContact O-N 3.36Å; E76-T88 PolarHBondContact N-O 3.45Å
77R96Very high96.3Very high40 Ų4040.4 Ų40.415%0.15118%0.182CC..EExtended strand (participates in β ladder)trans-144.8144.2-176.8169.6-171.9-60.3-972.9111.1D53 F54 T88 S176D53-R77 IonicContact OD1-NH1 2.73Å; D53-R77 PolarHBondContact OD1-NH1 3.39Å; D53-R77 VanDerWaalsContact OD1-NH1 3.15Å; D53-R77 IonicContact OD2-NH1 2.87Å; D53-R77 PolarHBondContact OD2-NH1 2.89Å; F54-R77 WeakPolarHBondContact O-CG 3.48Å; R77-T88 PolarHBondContact N-O 2.92Å; R77-T88 PolarHBondContact O-N 3.29Å; R77-S176 PolarHBondContact NE-OG 3.24Å
78V97.2Very high96.4Very high0 Ų035.1 Ų35.10%016%0.162CC..EExtended strand (participates in β ladder)trans-122.8133.7175.8178.80000108.5F54 A66 L69 F70 V75 F80 I85 I87F54-V78 WeakPolarHBondContact CA-O 3.37Å; F54-V78 HydrophobicContact CB-CB 4.34Å; F54-V78 VanDerWaalsContact CB-O 3.27Å; F54-V78 WeakPolarHBondContact CB-O 3.48Å; F54-V78 HydrophobicContact CD2-CB 4.43Å; F54-V78 HydrophobicContact CD2-CG1 4.34Å; F54-V78 WeakPolarHBondContact CD2-O 3.45Å; F54-V78 PolarHBondContact N-O 3.05Å; F54-V78 PolarHBondContact O-N 3.1Å; F54-V78 VanDerWaalsContact O-N 3.11Å; A66-V78 HydrophobicContact CB-CG1 4.37Å; L69-V78 HydrophobicContact CB-CG2 3.86Å; L69-V78 HydrophobicContact CD1-CG1 3.77Å; L69-V78 HydrophobicContact CD1-CG2 4.32Å; F70-V78 HydrophobicContact CD1-CG2 4.45Å; F70-V78 HydrophobicContact CD2-CG2 4.23Å; F70-V78 HydrophobicContact CE1-CG2 4.1Å; F70-V78 HydrophobicContact CE2-CB 4.03Å; F70-V78 HydrophobicContact CE2-CG2 3.83Å; F70-V78 HydrophobicContact CZ-CB 4Å; F70-V78 HydrophobicContact CZ-CG2 3.78Å; V75-V78 HydrophobicContact CG1-CG2 3.82Å; V78-F80 HydrophobicContact CG1-CD1 3.98Å; V78-F80 HydrophobicContact CG1-CE1 3.38Å; V78-F80 HydrophobicContact CG1-CZ 3.99Å; V78-I85 HydrophobicContact CG1-CG2 4.28Å; V78-I87 HydrophobicContact CB-CD1 4.48Å; V78-I87 HydrophobicContact CG1-CD1 4.15Å; V78-I87 HydrophobicContact CG2-CD1 3.94Å
79F97.5Very high96.4Very high1 Ų133.2 Ų33.20%0.00415%0.153CC..EExtended strand (participates in β ladder)trans-132.6134.5176.3169.4-85.5000109.9T51 D53 F84 I85 T86 G154 D156 Q172T51-F79 HydrophobicContact CG2-CE1 4.42Å; T51-F79 HydrophobicContact CG2-CE2 4.41Å; T51-F79 HydrophobicContact CG2-CZ 3.63Å; D53-F79 HydrophobicContact CB-CD2 3.88Å; D53-F79 HydrophobicContact CB-CE2 4.44Å; F79-F84 AromaticContact CD1-CE2 3.91Å; F79-F84 HydrophobicContact CD1-CE2 3.91Å; F79-F84 AromaticContact CE1-CE2 3.64Å; F79-F84 HydrophobicContact CE1-CE2 3.64Å; F79-F84 AromaticContact CE1-CZ 3.88Å; F79-F84 HydrophobicContact CE1-CZ 3.88Å; F79-I85 CarbonylContact O-C 3.5Å; F79-I85 WeakPolarHBondContact O-CA 3.49Å; F79-T86 PolarHBondContact N-O 2.88Å; F79-T86 PolarHBondContact O-N 2.87Å; F79-G154 WeakPolarHBondContact CD1-O 3.26Å; F79-D156 HydrophobicContact CE2-CB 3.97Å; F79-D156 HydrophobicContact CZ-CB 3.8Å; F79-Q172 HydrophobicContact CD2-CB 4.16Å; F79-Q172 HydrophobicContact CE2-CB 3.94Å
80F97.6Very high96.2Very high0 Ų035.1 Ų35.10%016%0.164CC..EExtended strand (participates in β ladder)trans-108.4125.9177.3-63.4-19.3000110.4V46 L47 T51 R52 F54 S63 L65 A66 L69 V78 I85 V116V46-F80 HydrophobicContact CG1-CB 3.84Å; V46-F80 HydrophobicContact CG1-CD1 4.04Å; V46-F80 HydrophobicContact CG1-CD2 4.2Å; V46-F80 HydrophobicContact CG1-CG 3.77Å; L47-F80 HydrophobicContact CD1-CB 3.75Å; L47-F80 WeakPolarHBondContact CD1-O 3.48Å; L47-F80 HydrophobicContact CD2-CB 4.37Å; L47-F80 HydrophobicContact CD2-CD2 4.29Å; L47-F80 HydrophobicContact CG-CB 3.88Å; T51-F80 CarbonylContact C-O 3.52Å; T51-F80 VanDerWaalsContact CA-O 3.23Å; T51-F80 WeakPolarHBondContact CA-O 3.48Å; R52-F80 PolarHBondContact N-O 2.91Å; R52-F80 PolarHBondContact O-N 3.35Å; F54-F80 HydrophobicContact CD2-CD2 4.5Å; F54-F80 HydrophobicContact CD2-CE2 4.42Å; F54-F80 AromaticContact CE2-CD2 3.51Å; F54-F80 HydrophobicContact CE2-CD2 3.51Å; F54-F80 AromaticContact CE2-CE2 3.51Å; F54-F80 HydrophobicContact CE2-CE2 3.51Å; F54-F80 HydrophobicContact CE2-CG 4.09Å; F54-F80 HydrophobicContact CE2-CZ 4.11Å; F54-F80 HydrophobicContact CZ-CD2 4.22Å; F54-F80 HydrophobicContact CZ-CE2 4.09Å; S63-F80 VanDerWaalsContact OG-CE2 3.28Å; S63-F80 WeakPolarHBondContact OG-CE2 3.38Å; L65-F80 HydrophobicContact CB-CZ 4.04Å; L65-F80 HydrophobicContact CD2-CE1 4.05Å; L65-F80 HydrophobicContact CD2-CZ 3.79Å; L65-F80 HydrophobicContact CG-CE1 4.29Å; L65-F80 HydrophobicContact CG-CZ 3.8Å; A66-F80 HydrophobicContact CB-CE2 4.34Å; A66-F80 HydrophobicContact CB-CZ 3.94Å; L69-F80 HydrophobicContact CD1-CE1 4.18Å; V78-F80 HydrophobicContact CG1-CD1 3.98Å; V78-F80 HydrophobicContact CG1-CE1 3.38Å; V78-F80 HydrophobicContact CG1-CZ 3.99Å; F80-I85 HydrophobicContact CD1-CB 4.24Å; F80-I85 HydrophobicContact CD1-CG1 3.82Å; F80-I85 HydrophobicContact CD1-CG2 3.91Å; F80-I85 HydrophobicContact CE1-CB 4.44Å; F80-I85 HydrophobicContact CE1-CG1 3.97Å; F80-I85 HydrophobicContact CE1-CG2 3.8Å; F80-V116 HydrophobicContact CD2-CG1 3.82Å; F80-V116 HydrophobicContact CE2-CG1 3.58Å; F80-V116 HydrophobicContact CZ-CG1 4.31Å
81G96Very high95.9Very high0 Ų040 Ų400%019%0.191CC..  trans-96.5-167.9164.900000112.1L47 D83 F84L47-G81 PolarHBondContact N-O 2.88Å; G81-D83 PolarHBondContact O-N 3.29Å; G81-F84 PolarHBondContact N-O 2.88Å
82P94.8Very high95.8Very high35 Ų3537.1 Ų37.123%0.22719%0.191CC..SBendtrans-58.8-45.3177.6-25.935.5000113V46 L47 G48V46-P82 PolarHBondContact N-O 2.94Å; L47-P82 PolarHBondContact N-O 2.69Å; G48-P82 PolarHBondContact N-O 2.65Å
83D95.4Very high95.7Very high83 Ų8338.5 Ų38.544%0.44420%0.196SC..SBendtrans-134.93.8-172.967.5-21.9000114.2G81G81-D83 PolarHBondContact O-N 3.29Å
84F97Very high95.8Very high6 Ų637.8 Ų37.83%0.02619%0.193CC..  trans-130.5158.1-179.968.2-94.8000112.6K39 Y40 F41 F79 G81 T86 Q151K39-F84 HydrophobicContact CD-CD2 4.35Å; K39-F84 VanDerWaalsContact CE-CD2 3.42Å; K39-F84 VanDerWaalsContact CE-CG 3.45Å; K39-F84 HydrophobicContact CG-CD2 4.21Å; Y40-F84 CarbonylContact O-C 3.52Å; Y40-F84 VanDerWaalsContact O-CA 3.32Å; Y40-F84 WeakPolarHBondContact O-CA 3.44Å; F41-F84 HydrophobicContact CD1-CB 3.79Å; F41-F84 HydrophobicContact CE1-CB 3.65Å; F41-F84 HydrophobicContact CE1-CD1 4.41Å; F41-F84 HydrophobicContact CE1-CG 4.39Å; F41-F84 HydrophobicContact CE2-CB 4.4Å; F41-F84 HydrophobicContact CG-CB 4.27Å; F41-F84 HydrophobicContact CZ-CB 3.98Å; F79-F84 AromaticContact CD1-CE2 3.91Å; F79-F84 HydrophobicContact CD1-CE2 3.91Å; F79-F84 AromaticContact CE1-CE2 3.64Å; F79-F84 HydrophobicContact CE1-CE2 3.64Å; F79-F84 AromaticContact CE1-CZ 3.88Å; F79-F84 HydrophobicContact CE1-CZ 3.88Å; G81-F84 PolarHBondContact N-O 2.88Å; F84-T86 WeakPolarHBondContact CE2-OG1 3.42Å; F84-Q151 HydrophobicContact CE1-CB 4.47Å; F84-Q151 HydrophobicContact CZ-CB 4.31Å; F84-Q151 VanDerWaalsContact CZ-O 3.23Å; F84-Q151 WeakPolarHBondContact CZ-O 3.07Å
85I97.8Very high95.8Very high0 Ų039.1 Ų39.10%020%0.195CC..EExtended strand (participates in β ladder)trans-119.5120.2172.4-60.3157000106.7K39 Y40 P42 V46 L65 L69 V78 F79 F80 I87 I106K39-I85 CarbonylContact C-O 3.55Å; K39-I85 WeakPolarHBondContact CA-O 3.44Å; Y40-I85 PolarHBondContact N-O 2.76Å; Y40-I85 PolarHBondContact O-N 2.84Å; P42-I85 HydrophobicContact CG-CD1 4.47Å; V46-I85 HydrophobicContact CG1-CG1 3.93Å; V46-I85 HydrophobicContact CG2-CD1 4.34Å; V46-I85 HydrophobicContact CG2-CG1 3.91Å; L65-I85 HydrophobicContact CD2-CD1 3.79Å; L69-I85 HydrophobicContact CD1-CG2 4.1Å; V78-I85 HydrophobicContact CG1-CG2 4.28Å; F79-I85 CarbonylContact O-C 3.5Å; F79-I85 WeakPolarHBondContact O-CA 3.49Å; F80-I85 HydrophobicContact CD1-CB 4.24Å; F80-I85 HydrophobicContact CD1-CG1 3.82Å; F80-I85 HydrophobicContact CD1-CG2 3.91Å; F80-I85 HydrophobicContact CE1-CB 4.44Å; F80-I85 HydrophobicContact CE1-CG1 3.97Å; F80-I85 HydrophobicContact CE1-CG2 3.8Å; I85-I87 HydrophobicContact CG2-CD1 3.69Å; I85-I87 HydrophobicContact CG2-CG1 4.25Å; I85-I106 HydrophobicContact CD1-CD1 3.95Å; I85-I106 HydrophobicContact CD1-CG1 4.16Å; I85-I106 HydrophobicContact CD1-CG2 4.42Å
86T98.1Very high95.8Very high0 Ų042.5 Ų42.50%023%0.225CC..EExtended strand (participates in β ladder)trans-92.3127.6168.8-55.20000108.8L38 F79 F84 G154 S174L38-T86 WeakPolarHBondContact O-CA 3.29Å; F79-T86 PolarHBondContact N-O 2.88Å; F79-T86 PolarHBondContact O-N 2.87Å; F84-T86 WeakPolarHBondContact CE2-OG1 3.42Å; T86-G154 WeakPolarHBondContact CB-O 3.32Å; T86-G154 WeakPolarHBondContact CG2-O 3.46Å; T86-G154 WeakPolarHBondContact OG1-CA 3.25Å; T86-G154 PolarHBondContact OG1-O 3.48Å; T86-S174 WeakPolarHBondContact CG2-OG 3.39Å
87I97.9Very high95.8Very high0 Ų041.9 Ų41.90%023%0.228CC..EExtended strand (participates in β ladder)trans-106.8132.3169-56.1-59.1000107.5S37 L38 Y40 L69 V75 V78 I85 W95 V102S37-I87 VanDerWaalsContact CA-O 3.23Å; S37-I87 WeakPolarHBondContact CA-O 2.77Å; L38-I87 PolarHBondContact N-O 3.27Å; L38-I87 PolarHBondContact O-N 3.27Å; Y40-I87 HydrophobicContact CD2-CB 4.43Å; Y40-I87 HydrophobicContact CD2-CG1 3.85Å; Y40-I87 HydrophobicContact CE2-CB 4Å; Y40-I87 HydrophobicContact CE2-CG1 3.75Å; L69-I87 HydrophobicContact CB-CD1 4.45Å; L69-I87 HydrophobicContact CD1-CD1 3.85Å; L69-I87 HydrophobicContact CD2-CD1 4.01Å; L69-I87 HydrophobicContact CG-CD1 4.33Å; V75-I87 HydrophobicContact CB-CG2 4.48Å; V75-I87 HydrophobicContact CG1-CG2 3.99Å; V75-I87 HydrophobicContact CG2-CG2 3.86Å; V78-I87 HydrophobicContact CB-CD1 4.48Å; V78-I87 HydrophobicContact CG1-CD1 4.15Å; V78-I87 HydrophobicContact CG2-CD1 3.94Å; I85-I87 HydrophobicContact CG2-CD1 3.69Å; I85-I87 HydrophobicContact CG2-CG1 4.25Å; I87-W95 HydrophobicContact CB-CH2 4.22Å; I87-W95 HydrophobicContact CB-CZ3 4.48Å; I87-W95 HydrophobicContact CG2-CH2 4.06Å; I87-W95 HydrophobicContact CG2-CZ3 4.15Å; I87-W95 WeakPolarHBondContact O-CH2 3.34Å; I87-V102 HydrophobicContact CG1-CG1 4.06Å; I87-V102 HydrophobicContact CG1-CG2 4.49Å
88T97.2Very high95.7Very high1 Ų140 Ų401%0.00622%0.221CC..EExtended strand (participates in β ladder)trans-110.7128.9168.4-53.30000108.8N36 S37 E76 R77N36-T88 HydrophobicContact CB-CG2 4.31Å; N36-T88 CarbonylContact O-C 3.53Å; N36-T88 WeakPolarHBondContact O-CA 3.23Å; N36-T88 WeakPolarHBondContact O-CG2 3.35Å; S37-T88 PolarHBondContact OG-OG1 3.32Å; E76-T88 PolarHBondContact N-O 3.45Å; R77-T88 PolarHBondContact N-O 2.92Å; R77-T88 PolarHBondContact O-N 3.29Å
89K95.9Very high95.6Very high12 Ų1243.5 Ų43.55%0.05224%0.236CC..EExtended strand (participates in β ladder)trans-95.3157.8176.366170-164.174.60111.2N36 G74 F93 W95 I98N36-K89 HydrophobicContact CB-CG 4.23Å; N36-K89 PolarHBondContact O-N 2.92Å; N36-K89 WeakPolarHBondContact OD1-CE 3.46Å; N36-K89 PolarHBondContact OD1-NZ 3.45Å; G74-K89 CarbonylContact O-C 3.5Å; G74-K89 WeakPolarHBondContact O-CA 3.23Å; G74-K89 WeakPolarHBondContact O-CB 3.49Å; K89-F93 VanDerWaalsContact CD-O 3.26Å; K89-F93 WeakPolarHBondContact CD-O 3.45Å; K89-F93 WeakPolarHBondContact CE-O 3.34Å; K89-F93 PolarHBondContact NZ-O 2.68Å; K89-W95 HydrophobicContact CB-CH2 4.04Å; K89-W95 HydrophobicContact CB-CZ2 4.22Å; K89-W95 HydrophobicContact CB-CZ3 4.34Å; K89-W95 HydrophobicContact CD-CD2 3.79Å; K89-W95 HydrophobicContact CD-CE3 4.3Å; K89-W95 HydrophobicContact CD-CG 4.12Å; K89-W95 HydrophobicContact CD-CH2 4.48Å; K89-W95 HydrophobicContact CD-CZ2 4.01Å; K89-W95 HydrophobicContact CG-CD2 4.42Å; K89-W95 HydrophobicContact CG-CH2 4.1Å; K89-W95 HydrophobicContact CG-CZ2 3.74Å; K89-I98 HydrophobicContact CB-CD1 3.45Å; K89-I98 VanDerWaalsContact CB-CD1 3.45Å; K89-I98 HydrophobicContact CD-CD1 4.05Å; K89-I98 HydrophobicContact CG-CD1 4.37Å
90N93.3Very high95.5Very high41 Ų4147 Ų4722%0.21926%0.259CS..  trans-70.6167.3163.961.35.3000111.4G74 D92 F93G74-N90 WeakPolarHBondContact CA-OD1 3.31Å; G74-N90 PolarHBondContact O-N 3.29Å; G74-N90 PolarHBondContact O-OD1 3.14Å; N90-D92 VanDerWaalsContact C-N 3.3Å; N90-D92 PolarHBondContact O-N 2.74Å; N90-F93 WeakPolarHBondContact ND2-CD2 3.47Å; N90-F93 WeakPolarHBondContact OD1-CB 3.16Å; N90-F93 WeakPolarHBondContact OD1-CD2 3.39Å; N90-F93 WeakPolarHBondContact OD1-CG 3.48Å
91D91.3Very high95.5Very high126 Ų12651.1 Ų51.167%0.67428%0.281SS*.THydrogen-bonded Turntrans-72.9-22.4-178.5-75.1-33.3000113.1N36 F93N36-D91 PolarHBondContact ND2-OD1 3.12Å; D91-F93 VanDerWaalsContact C-N 3.26Å; D91-F93 PolarHBondContact O-N 3.1Å
92D93.1Very high95.5Very high145 Ų14551.1 Ų51.178%0.77528%0.281SS*.THydrogen-bonded Turntrans-75.3-12.7-176.2-59.8-47.5000113.9N90N90-D92 VanDerWaalsContact C-N 3.3Å; N90-D92 PolarHBondContact O-N 2.74Å
93F94.3Very high95.5Very high43 Ų4352.4 Ų52.419%0.18928%0.282CS..SBendtrans-116.9148.6-174-72.8-109.9000112.4E73 K89 N90 D91 I98E73-F93 HydrophobicContact CB-CE1 3.96Å; E73-F93 HydrophobicContact CB-CZ 4.26Å; E73-F93 HydrophobicContact CG-CE1 3.66Å; E73-F93 HydrophobicContact CG-CE2 4.47Å; E73-F93 HydrophobicContact CG-CZ 3.47Å; E73-F93 VanDerWaalsContact CG-CZ 3.47Å; E73-F93 WeakPolarHBondContact OE1-CZ 3.17Å; K89-F93 VanDerWaalsContact CD-O 3.26Å; K89-F93 WeakPolarHBondContact CD-O 3.45Å; K89-F93 WeakPolarHBondContact CE-O 3.34Å; K89-F93 PolarHBondContact NZ-O 2.68Å; N90-F93 WeakPolarHBondContact ND2-CD2 3.47Å; N90-F93 WeakPolarHBondContact OD1-CB 3.16Å; N90-F93 WeakPolarHBondContact OD1-CD2 3.39Å; N90-F93 WeakPolarHBondContact OD1-CG 3.48Å; D91-F93 VanDerWaalsContact C-N 3.26Å; D91-F93 PolarHBondContact O-N 3.1Å; F93-I98 HydrophobicContact CB-CD1 3.59Å; F93-I98 HydrophobicContact CB-CG1 4.19Å; F93-I98 HydrophobicContact CD1-CG1 4.48Å; F93-I98 HydrophobicContact CG-CD1 4.38Å
94E95.3Very high95.5Very high135 Ų13550.4 Ų50.463%0.63128%0.277SS*.  trans-100.3144175.2-73.8-65.4163.800111.1A96 V97 I98E94-A96 PolarHBondContact O-N 2.88Å; E94-A96 VanDerWaalsContact O-N 3.08Å; E94-V97 PolarHBondContact O-N 3.34Å; E94-I98 PolarHBondContact O-N 3.16Å
95W96.1Very high95.4Very high36 Ų3651.2 Ų51.214%0.13628%0.282CS..Hα-helixtrans-58.6-27.5180-77.8120.4000113.4P35 N36 L38 I87 K89 V97 I98 K99P35-W95 PolarHBondContact O-NE1 2.71Å; N36-W95 WeakPolarHBondContact O-CZ2 3.22Å; L38-W95 HydrophobicContact CB-CH2 4.08Å; L38-W95 HydrophobicContact CB-CZ2 4.01Å; L38-W95 HydrophobicContact CB-CZ3 4.48Å; L38-W95 HydrophobicContact CD1-CB 4.41Å; L38-W95 HydrophobicContact CD1-CD2 3.43Å; L38-W95 VanDerWaalsContact CD1-CD2 3.43Å; L38-W95 HydrophobicContact CD1-CE3 3.7Å; L38-W95 HydrophobicContact CD1-CG 3.79Å; L38-W95 HydrophobicContact CD1-CH2 4.34Å; L38-W95 HydrophobicContact CD1-CZ2 4.09Å; L38-W95 HydrophobicContact CD1-CZ3 4.16Å; L38-W95 HydrophobicContact CG-CD2 3.92Å; L38-W95 HydrophobicContact CG-CE3 4.33Å; L38-W95 HydrophobicContact CG-CG 4.45Å; L38-W95 HydrophobicContact CG-CH2 4.12Å; L38-W95 HydrophobicContact CG-CZ2 3.65Å; L38-W95 HydrophobicContact CG-CZ3 4.43Å; I87-W95 HydrophobicContact CB-CH2 4.22Å; I87-W95 HydrophobicContact CB-CZ3 4.48Å; I87-W95 HydrophobicContact CG2-CH2 4.06Å; I87-W95 HydrophobicContact CG2-CZ3 4.15Å; I87-W95 WeakPolarHBondContact O-CH2 3.34Å; K89-W95 HydrophobicContact CB-CH2 4.04Å; K89-W95 HydrophobicContact CB-CZ2 4.22Å; K89-W95 HydrophobicContact CB-CZ3 4.34Å; K89-W95 HydrophobicContact CD-CD2 3.79Å; K89-W95 HydrophobicContact CD-CE3 4.3Å; K89-W95 HydrophobicContact CD-CG 4.12Å; K89-W95 HydrophobicContact CD-CH2 4.48Å; K89-W95 HydrophobicContact CD-CZ2 4.01Å; K89-W95 HydrophobicContact CG-CD2 4.42Å; K89-W95 HydrophobicContact CG-CH2 4.1Å; K89-W95 HydrophobicContact CG-CZ2 3.74Å; W95-V97 PolarHBondContact O-N 3.47Å; W95-I98 HydrophobicContact CE3-CB 4.18Å; W95-I98 HydrophobicContact CE3-CG2 4.19Å; W95-I98 HydrophobicContact CZ3-CB 4.43Å; W95-I98 HydrophobicContact CZ3-CG2 3.96Å; W95-I98 PolarHBondContact O-N 3.47Å; W95-K99 WeakPolarHBondContact O-CB 3.46Å; W95-K99 PolarHBondContact O-N 2.98Å
96A95.1Very high95.3Very high86 Ų8651.2 Ų51.271%0.71128%0.282SS*.Hα-helixtrans-59.6-28.117600000113.1E94 P100E94-A96 PolarHBondContact O-N 2.88Å; E94-A96 VanDerWaalsContact O-N 3.08Å; A96-P100 WeakPolarHBondContact O-CD 3.28Å
97V94.2Very high95.1Very high90 Ų9054.8 Ų54.855%0.54530%0.3SS..Hα-helixtrans-86.8-45.7178.9-176.90000110.8E94 W95 P100E94-V97 PolarHBondContact O-N 3.34Å; W95-V97 PolarHBondContact O-N 3.47Å; V97-P100 WeakPolarHBondContact O-CD 3.5Å
98I95.3Very high94.9Very high0 Ų059.9 Ų59.90%033%0.327CS..Hα-helixtrans-75.3-38.4-174.2-63.2170.2000112.2I72 V75 K89 F93 E94 W95 D101 V102I72-I98 HydrophobicContact CG2-CG2 4.2Å; V75-I98 HydrophobicContact CG2-CG2 4.05Å; K89-I98 HydrophobicContact CB-CD1 3.45Å; K89-I98 VanDerWaalsContact CB-CD1 3.45Å; K89-I98 HydrophobicContact CD-CD1 4.05Å; K89-I98 HydrophobicContact CG-CD1 4.37Å; F93-I98 HydrophobicContact CB-CD1 3.59Å; F93-I98 HydrophobicContact CB-CG1 4.19Å; F93-I98 HydrophobicContact CD1-CG1 4.48Å; F93-I98 HydrophobicContact CG-CD1 4.38Å; E94-I98 PolarHBondContact O-N 3.16Å; W95-I98 HydrophobicContact CE3-CB 4.18Å; W95-I98 HydrophobicContact CE3-CG2 4.19Å; W95-I98 HydrophobicContact CZ3-CB 4.43Å; W95-I98 HydrophobicContact CZ3-CG2 3.96Å; W95-I98 PolarHBondContact O-N 3.47Å; I98-D101 PolarHBondContact O-N 3.04Å; I98-V102 HydrophobicContact CG2-CG2 3.59Å; I98-V102 WeakPolarHBondContact O-CG2 3.38Å; I98-V102 PolarHBondContact O-N 3.44Å
99K94.8Very high94.8Very high73 Ų7359.9 Ų59.932%0.31733%0.327SS..Hα-helixtrans-59.8-43.5-168.4-175.4177-169173.40113.6W95 D101 V102 Y103W95-K99 WeakPolarHBondContact O-CB 3.46Å; W95-K99 PolarHBondContact O-N 2.98Å; K99-D101 PolarHBondContact O-N 2.96Å; K99-V102 PolarHBondContact O-N 2.75Å; K99-Y103 HydrophobicContact CD-CE2 3.99Å; K99-Y103 HydrophobicContact CG-CD2 3.77Å; K99-Y103 HydrophobicContact CG-CE2 3.45Å; K99-Y103 VanDerWaalsContact CG-CE2 3.45Å; K99-Y103 WeakPolarHBondContact O-CD2 3.46Å; K99-Y103 PolarHBondContact O-N 3.5Å
100P95.5Very high94.6Very high75 Ų7560.6 Ų60.649%0.48733%0.329SS..Hα-helixtrans-57.3-43.8175-25.435.5000113.8A96 V97 Y103 A104A96-P100 WeakPolarHBondContact O-CD 3.28Å; V97-P100 WeakPolarHBondContact O-CD 3.5Å; P100-Y103 WeakPolarHBondContact O-CB 3.11Å; P100-Y103 PolarHBondContact O-N 2.93Å; P100-A104 PolarHBondContact O-N 3.41Å
101D96.4Very high94.6Very high86 Ų8663.2 Ų63.246%0.4635%0.351SS..Hα-helixtrans-71.3-36.5-178.2-69-26.9000112I72 I98 K99 Y103 A104 T105I72-D101 HydrophobicContact CD1-CB 4.16Å; I72-D101 HydrophobicContact CG1-CB 4.09Å; I72-D101 HydrophobicContact CG2-CB 3.7Å; I98-D101 PolarHBondContact O-N 3.04Å; K99-D101 PolarHBondContact O-N 2.96Å; D101-Y103 VanDerWaalsContact C-N 3.35Å; D101-A104 PolarHBondContact O-N 2.85Å; D101-T105 VanDerWaalsContact O-CB 3.3Å; D101-T105 WeakPolarHBondContact O-CB 3.49Å; D101-T105 PolarHBondContact O-N 3.26Å; D101-T105 PolarHBondContact O-OG1 2.9Å
102V96.9Very high94.6Very high0 Ų060.4 Ų60.40%034%0.341CS..Hα-helixtrans-62.3-44.9172.7174.10000110.3Y40 L69 I72 I87 I98 K99 T105 I106Y40-V102 HydrophobicContact CD1-CG1 3.81Å; Y40-V102 HydrophobicContact CD2-CG1 4.21Å; Y40-V102 HydrophobicContact CE1-CB 4.11Å; Y40-V102 HydrophobicContact CE1-CG1 3.45Å; Y40-V102 VanDerWaalsContact CE1-CG1 3.45Å; Y40-V102 HydrophobicContact CE2-CG1 3.9Å; Y40-V102 HydrophobicContact CG-CG1 4.18Å; L69-V102 HydrophobicContact CD2-CG1 4.14Å; I72-V102 HydrophobicContact CD1-CB 4.24Å; I72-V102 HydrophobicContact CD1-CG2 3.65Å; I87-V102 HydrophobicContact CG1-CG1 4.06Å; I87-V102 HydrophobicContact CG1-CG2 4.49Å; I98-V102 HydrophobicContact CG2-CG2 3.59Å; I98-V102 WeakPolarHBondContact O-CG2 3.38Å; I98-V102 PolarHBondContact O-N 3.44Å; K99-V102 PolarHBondContact O-N 2.75Å; V102-T105 PolarHBondContact O-N 3.24Å; V102-I106 HydrophobicContact CG1-CD1 3.66Å; V102-I106 HydrophobicContact CG1-CG1 4.33Å; V102-I106 VanDerWaalsContact O-CG1 3.29Å; V102-I106 WeakPolarHBondContact O-CG1 3.38Å; V102-I106 PolarHBondContact O-N 3.42Å
103Y94.5Very high94.4Very high63 Ų6356.6 Ų56.625%0.24734%0.337CS..Hα-helixtrans-58.7-50.3175.8-85.5-60.5000111.9I27 V29 K99 P100 D101 T105 I106 M107I27-Y103 HydrophobicContact CB-CD1 3.83Å; I27-Y103 HydrophobicContact CB-CE1 3.69Å; I27-Y103 HydrophobicContact CD1-CD1 3.91Å; I27-Y103 HydrophobicContact CG1-CD1 4.48Å; I27-Y103 HydrophobicContact CG2-CD1 3.94Å; I27-Y103 HydrophobicContact CG2-CE1 3.71Å; V29-Y103 HydrophobicContact CG2-CE1 3.89Å; V29-Y103 HydrophobicContact CG2-CE2 4.42Å; V29-Y103 WeakPolarHBondContact CG2-OH 3.42Å; K99-Y103 HydrophobicContact CD-CE2 3.99Å; K99-Y103 HydrophobicContact CG-CD2 3.77Å; K99-Y103 HydrophobicContact CG-CE2 3.45Å; K99-Y103 VanDerWaalsContact CG-CE2 3.45Å; K99-Y103 WeakPolarHBondContact O-CD2 3.46Å; K99-Y103 PolarHBondContact O-N 3.5Å; P100-Y103 WeakPolarHBondContact O-CB 3.11Å; P100-Y103 PolarHBondContact O-N 2.93Å; D101-Y103 VanDerWaalsContact C-N 3.35Å; Y103-T105 VanDerWaalsContact C-N 3.34Å; Y103-T105 PolarHBondContact O-N 3.35Å; Y103-I106 PolarHBondContact O-N 3.21Å; Y103-M107 WeakPolarHBondContact O-CB 3.47Å; Y103-M107 WeakPolarHBondContact O-CE 3.4Å; Y103-M107 WeakPolarHBondContact O-CG 3.34Å; Y103-M107 PolarHBondContact O-N 3.01Å
104A94.9Very high94.3Very high40 Ų4059.1 Ų59.133%0.33135%0.349SS..Hα-helixtrans-58.3-48.1179.300000111P100 D101 I106 M107 D108P100-A104 PolarHBondContact O-N 3.41Å; D101-A104 PolarHBondContact O-N 2.85Å; A104-I106 PolarHBondContact O-N 3.43Å; A104-M107 PolarHBondContact O-N 3.3Å; A104-D108 WeakPolarHBondContact O-CB 3.07Å; A104-D108 PolarHBondContact O-N 3.32Å
105T96.3Very high94.1Very high23 Ų2356.6 Ų56.614%0.14134%0.344CS..Hα-helixtrans-60.6-47.1-179.6-60.50000112.3Q68 L69 D101 V102 Y103 F109Q68-T105 HydrophobicContact CB-CG2 3.63Å; L69-T105 HydrophobicContact CD2-CG2 3.98Å; L69-T105 HydrophobicContact CG-CG2 4.21Å; D101-T105 VanDerWaalsContact O-CB 3.3Å; D101-T105 WeakPolarHBondContact O-CB 3.49Å; D101-T105 PolarHBondContact O-N 3.26Å; D101-T105 PolarHBondContact O-OG1 2.9Å; V102-T105 PolarHBondContact O-N 3.24Å; Y103-T105 VanDerWaalsContact C-N 3.34Å; Y103-T105 PolarHBondContact O-N 3.35Å; T105-F109 WeakPolarHBondContact O-CB 3Å; T105-F109 PolarHBondContact O-N 3Å
106I95.8Very high94Very high0 Ų055.8 Ų55.80%034%0.343CS..Hα-helixtrans-65.1-43.5178.1-65.2171.8000110.3I27 Y40 P42 L69 I85 V102 Y103 A104 F109 Y110I27-I106 HydrophobicContact CD1-CB 3.74Å; I27-I106 HydrophobicContact CD1-CG2 3.51Å; I27-I106 HydrophobicContact CG1-CG2 4.09Å; Y40-I106 HydrophobicContact CD1-CD1 4.05Å; Y40-I106 HydrophobicContact CG-CD1 4.02Å; P42-I106 HydrophobicContact CB-CG2 4.01Å; L69-I106 HydrophobicContact CD2-CG1 4.17Å; I85-I106 HydrophobicContact CD1-CD1 3.95Å; I85-I106 HydrophobicContact CD1-CG1 4.16Å; I85-I106 HydrophobicContact CD1-CG2 4.42Å; V102-I106 HydrophobicContact CG1-CD1 3.66Å; V102-I106 HydrophobicContact CG1-CG1 4.33Å; V102-I106 VanDerWaalsContact O-CG1 3.29Å; V102-I106 WeakPolarHBondContact O-CG1 3.38Å; V102-I106 PolarHBondContact O-N 3.42Å; Y103-I106 PolarHBondContact O-N 3.21Å; A104-I106 PolarHBondContact O-N 3.43Å; I106-F109 PolarHBondContact O-N 3.19Å; I106-Y110 HydrophobicContact CG2-CD2 3.76Å; I106-Y110 HydrophobicContact CG2-CE2 3.95Å; I106-Y110 WeakPolarHBondContact O-CD2 3.29Å; I106-Y110 PolarHBondContact O-N 2.96Å
107M93.2Very high93.8Very high75 Ų7553 Ų5337%0.36932%0.318SS..Hα-helixtrans-62.1-46.9178.7-76-172.7-72.500112.5L25 I27 Y103 A104 Y110 S111L25-M107 HydrophobicContact CD2-CB 4.47Å; L25-M107 HydrophobicContact CD2-CG 4.11Å; I27-M107 HydrophobicContact CD1-CG 3.52Å; I27-M107 HydrophobicContact CG1-CG 4.49Å; Y103-M107 WeakPolarHBondContact O-CB 3.47Å; Y103-M107 WeakPolarHBondContact O-CE 3.4Å; Y103-M107 WeakPolarHBondContact O-CG 3.34Å; Y103-M107 PolarHBondContact O-N 3.01Å; A104-M107 PolarHBondContact O-N 3.3Å; M107-Y110 PolarHBondContact O-N 3.44Å; M107-S111 VanDerWaalsContact O-CB 3.26Å; M107-S111 WeakPolarHBondContact O-CB 3.49Å; M107-S111 PolarHBondContact O-N 3.36Å; M107-S111 PolarHBondContact O-OG 2.95Å
108D93.7Very high93Very high108 Ų10851.6 Ų51.658%0.57831%0.312SS*.Hα-helixtrans-65.8-41.6-179.8-73.6-13000110.8A104 S111 S112A104-D108 WeakPolarHBondContact O-CB 3.07Å; A104-D108 PolarHBondContact O-N 3.32Å; D108-S111 PolarHBondContact O-N 3.46Å; D108-S112 WeakPolarHBondContact O-CB 3.47Å; D108-S112 PolarHBondContact O-N 3.49Å
109F95Very high91.7Very high1 Ų158.2 Ų58.20%0.00434%0.342CS..Hα-helixtrans-58.3-53176.3-174.7-94.8000112P64 L65 T105 I106 S111 S112 G113 Q114 P115 V116P64-F109 HydrophobicContact CB-CE2 3.95Å; L65-F109 HydrophobicContact CB-CD1 3.97Å; L65-F109 HydrophobicContact CB-CD2 3.94Å; L65-F109 HydrophobicContact CB-CE1 3.85Å; L65-F109 HydrophobicContact CB-CE2 3.83Å; L65-F109 HydrophobicContact CB-CG 4.02Å; L65-F109 HydrophobicContact CB-CZ 3.78Å; L65-F109 HydrophobicContact CD1-CB 3.8Å; L65-F109 HydrophobicContact CD1-CD1 3.92Å; L65-F109 HydrophobicContact CD1-CD2 4.15Å; L65-F109 HydrophobicContact CD1-CG 3.64Å; L65-F109 HydrophobicContact CD2-CD1 4.04Å; L65-F109 HydrophobicContact CD2-CE1 4.24Å; L65-F109 HydrophobicContact CG-CD1 4.18Å; L65-F109 HydrophobicContact CG-CE1 4.46Å; L65-F109 HydrophobicContact CG-CG 4.27Å; T105-F109 WeakPolarHBondContact O-CB 3Å; T105-F109 PolarHBondContact O-N 3Å; I106-F109 PolarHBondContact O-N 3.19Å; F109-S111 PolarHBondContact O-N 3.43Å; F109-S112 WeakPolarHBondContact O-CB 3.32Å; F109-S112 PolarHBondContact O-N 3.29Å; F109-S112 VanDerWaalsContact O-N 3.12Å; F109-S112 PolarHBondContact O-OG 2.91Å; F109-G113 PolarHBondContact O-N 2.94Å; F109-Q114 HydrophobicContact CE2-CB 3.74Å; F109-Q114 HydrophobicContact CZ-CB 3.87Å; F109-Q114 WeakPolarHBondContact CZ-O 3.26Å; F109-P115 WeakPolarHBondContact CZ-O 3.38Å; F109-V116 HydrophobicContact CE1-CB 4.4Å; F109-V116 HydrophobicContact CE1-CG2 3.77Å; F109-V116 HydrophobicContact CZ-CG2 4.49Å
110Y92.5Very high89.9Confident26 Ų2663.4 Ų63.410%0.10237%0.368CS..Hα-helixtrans-69.6-22.9-180-85.7-77.6000113.5L25 P42 K44 P45 V46 I106 M107L25-Y110 HydrophobicContact CD2-CD2 4.32Å; L25-Y110 HydrophobicContact CD2-CG 4.25Å; P42-Y110 HydrophobicContact CB-CD2 3.92Å; P42-Y110 HydrophobicContact CB-CE2 3.44Å; P42-Y110 VanDerWaalsContact CB-CE2 3.44Å; P42-Y110 HydrophobicContact CG-CE2 3.6Å; P42-Y110 WeakPolarHBondContact CG-OH 3.35Å; K44-Y110 HydrophobicContact CB-CD1 4.38Å; K44-Y110 HydrophobicContact CB-CE1 3.86Å; K44-Y110 HydrophobicContact CD-CD1 3.68Å; K44-Y110 HydrophobicContact CD-CE1 3.99Å; P45-Y110 PolarHBondContact O-OH 3Å; V46-Y110 WeakPolarHBondContact CG2-OH 3.35Å; I106-Y110 HydrophobicContact CG2-CD2 3.76Å; I106-Y110 HydrophobicContact CG2-CE2 3.95Å; I106-Y110 WeakPolarHBondContact O-CD2 3.29Å; I106-Y110 PolarHBondContact O-N 2.96Å; M107-Y110 PolarHBondContact O-N 3.44Å
111S91.7Very high87.7Confident97 Ų9767.5 Ų67.568%0.67838%0.378SS*.Hα-helixtrans-74.7-33.2171.7-61.90000112M107 D108 F109 G113M107-S111 VanDerWaalsContact O-CB 3.26Å; M107-S111 WeakPolarHBondContact O-CB 3.49Å; M107-S111 PolarHBondContact O-N 3.36Å; M107-S111 PolarHBondContact O-OG 2.95Å; D108-S111 PolarHBondContact O-N 3.46Å; F109-S111 PolarHBondContact O-N 3.43Å; S111-G113 VanDerWaalsContact C-N 3.28Å; S111-G113 PolarHBondContact O-N 3.15Å
112S92.1Very high84.9Confident66 Ų6667.2 Ų67.246%0.46239%0.388SS..Hα-helixtrans-69.2-23.8178.779.90000113.7D108 F109 Q114D108-S112 WeakPolarHBondContact O-CB 3.47Å; D108-S112 PolarHBondContact O-N 3.49Å; F109-S112 WeakPolarHBondContact O-CB 3.32Å; F109-S112 PolarHBondContact O-N 3.29Å; F109-S112 VanDerWaalsContact O-N 3.12Å; F109-S112 PolarHBondContact O-OG 2.91Å; S112-Q114 PolarHBondContact O-N 3.24Å; S112-Q114 WeakPolarHBondContact OG-CG 3.33Å; S112-Q114 PolarHBondContact OG-N 2.84Å
113G89.6Confident82.2Confident66 Ų6675.4 Ų75.468%0.6843%0.426SS*.THydrogen-bonded Turntrans72.611.7-177.300000114.6F109 S111F109-G113 PolarHBondContact O-N 2.94Å; S111-G113 VanDerWaalsContact C-N 3.28Å; S111-G113 PolarHBondContact O-N 3.15Å
114Q90.5Very high79.3Confident95 Ų9578.2 Ų78.244%0.44445%0.445SS..  trans-64.3148.1174-71179.45.600111.3F109 S112F109-Q114 HydrophobicContact CE2-CB 3.74Å; F109-Q114 HydrophobicContact CZ-CB 3.87Å; F109-Q114 WeakPolarHBondContact CZ-O 3.26Å; S112-Q114 PolarHBondContact O-N 3.24Å; S112-Q114 WeakPolarHBondContact OG-CG 3.33Å; S112-Q114 PolarHBondContact OG-N 2.84Å
115P92.6Very high76.6Confident83 Ų8384.9 Ų84.954%0.53947%0.474SS..  trans-69.9135.4174.730.7-35.2000110.3F109 V117F109-P115 WeakPolarHBondContact CZ-O 3.38Å; P115-V117 PolarHBondContact O-N 3.49Å
116V92.7Very high74Confident19 Ų1989.2 Ų89.212%0.11550%0.497CS..SBendtrans-56.9-34.3178.7174.90000111.1V46 S63 P64 L65 F80 F109V46-V116 HydrophobicContact CG1-CG1 4.09Å; S63-V116 WeakPolarHBondContact CA-O 3.33Å; S63-V116 VanDerWaalsContact CB-O 3.23Å; S63-V116 WeakPolarHBondContact CB-O 3.39Å; S63-V116 PolarHBondContact OG-O 2.89Å; P64-V116 WeakPolarHBondContact CD-O 3.23Å; L65-V116 HydrophobicContact CD2-CG1 4.19Å; F80-V116 HydrophobicContact CD2-CG1 3.82Å; F80-V116 HydrophobicContact CE2-CG1 3.58Å; F80-V116 HydrophobicContact CZ-CG1 4.31Å; F109-V116 HydrophobicContact CE1-CB 4.4Å; F109-V116 HydrophobicContact CE1-CG2 3.77Å; F109-V116 HydrophobicContact CZ-CG2 4.49Å
117V90.6Very high71.3Confident28 Ų2897.3 Ų97.317%0.1753%0.532CS..  trans-122.1128.7178.5169.90000108.7L47 S62 P115 E119L47-V117 HydrophobicContact CD2-CG2 3.76Å; S62-V117 CarbonylContact O-C 3.58Å; S62-V117 VanDerWaalsContact O-CA 3.31Å; S62-V117 WeakPolarHBondContact O-CA 3.37Å; P115-V117 PolarHBondContact O-N 3.49Å; V117-E119 WeakPolarHBondContact CG1-O 3.27Å
118S79.3Confident69.1Low60 Ų6098 Ų9842%0.4255%0.55SS.*SBendtrans-79.2-26.9-178.552.40000113.3S62S62-S118 PolarHBondContact O-N 2.89Å; S62-S118 PolarHBondContact O-OG 2.9Å
119E66.9Low66.9Low138 Ų13899.9 Ų99.965%0.64556%0.56SS**  trans-146.6127.6177.1-65.4-178.2174.200110.2V117 K121V117-E119 WeakPolarHBondContact CG1-O 3.27Å; E119-K121 VanDerWaalsContact C-N 3.27Å; E119-K121 PolarHBondContact O-N 3.48Å
120E56.3Low64.9Low183 Ų183107.8 Ų107.886%0.85560%0.602SS**  trans-69.790162.6-70-179.6-179.400107.4A122E120-A122 PolarHBondContact O-N 3.43Å
121K50.9Low63.8Low160 Ų160109.6 Ų109.670%0.69661%0.611SS**  trans-61.995.7147.1-76.7-171.8-179.3-1790104.9E119 Q123E119-K121 VanDerWaalsContact C-N 3.27Å; E119-K121 PolarHBondContact O-N 3.48Å; K121-Q123 VanDerWaalsContact C-N 3.3Å; K121-Q123 PolarHBondContact O-N 2.86Å
122A37.1Very low63.5Low81 Ų81109.4 Ų109.467%0.66960%0.603SS**  trans-48.9107.6159.300000104.7E120 D124E120-A122 PolarHBondContact O-N 3.43Å; A122-D124 PolarHBondContact O-N 3.35Å
123Q41Very low63.5Low172 Ų172114.1 Ų114.180%0.80462%0.618SS**  trans-61.2102.8157.6-83.1177.3-36.700103.1K121 L125K121-Q123 VanDerWaalsContact C-N 3.3Å; K121-Q123 PolarHBondContact O-N 2.86Å; Q123-L125 PolarHBondContact O-N 3.1Å
124D32.1Very low63.6Low121 Ų121111.6 Ų111.665%0.64759%0.589SS**  trans-46.8112.1163.9-91.6-34.1000105.7A122 N126A122-D124 PolarHBondContact O-N 3.35Å; D124-N126 HydrophobicContact CB-CB 4.28Å; D124-N126 VanDerWaalsContact CB-CG 3.49Å; D124-N126 WeakPolarHBondContact CB-ND2 3.36Å; D124-N126 PolarHBondContact O-N 2.77Å
125L39Very low63.8Low180 Ų180108 Ų10894%0.94257%0.574SS**  trans-64.774.6155.2-72165.8000105.5Q123 K127Q123-L125 PolarHBondContact O-N 3.1Å; L125-K127 PolarHBondContact O-N 2.86Å
126N41.1Very low63.8Low115 Ų115108.4 Ų108.462%0.61557%0.571SS**  trans-71.9111.8179.9-94.9-46.8000107.7D124D124-N126 HydrophobicContact CB-CB 4.28Å; D124-N126 VanDerWaalsContact CB-CG 3.49Å; D124-N126 WeakPolarHBondContact CB-ND2 3.36Å; D124-N126 PolarHBondContact O-N 2.77Å
127K40.4Very low63.9Low169 Ų169110.7 Ų110.774%0.73558%0.581SS**  trans71.778.9161.2-70.4174.7172.6169.80117.1L125 D129L125-K127 PolarHBondContact O-N 2.86Å; K127-D129 PolarHBondContact O-N 3.15Å
128A46.4Very low64.1Low91 Ų91109.3 Ų109.375%0.75257%0.573SS**THydrogen-bonded Turntrans-78.312.6162.300000114.5
129D46.4Very low64.9Low147 Ų147109.2 Ų109.279%0.78657%0.565SS**THydrogen-bonded Turntrans-105.1-3-167.8-83.5-16.9000115.7K127K127-D129 PolarHBondContact O-N 3.15Å
130D54.7Low66.2Low167 Ų167109.2 Ų109.289%0.89357%0.565SS**SBendtrans-15340.8175.1-75.9-49.9000111.6
131E68.7Low68Low63 Ų63101.5 Ų101.529%0.29453%0.529SS..  trans-83.1127.4176.7-62.2-165.1163.300110.8L136 K139E131-L136 HydrophobicContact CB-CD2 4.02Å; E131-L136 HydrophobicContact CB-CG 4.06Å; E131-L136 WeakPolarHBondContact OE2-CD2 3.48Å; E131-K139 IonicContact OE1-NZ 2.86Å; E131-K139 PolarHBondContact OE1-NZ 2.88Å; E131-K139 IonicContact OE2-NZ 2.61Å; E131-K139 PolarHBondContact OE2-NZ 2.61Å
132D86.3Confident70.2Confident93 Ų9394.1 Ų94.150%0.49750%0.497SS..  trans-50136.5171.8-173.1-30.7000110.4T134 V135 L136D132-T134 PolarHBondContact O-N 3.29Å; D132-T134 VanDerWaalsContact O-N 3.14Å; D132-T134 WeakPolarHBondContact OD1-CB 3.1Å; D132-T134 PolarHBondContact OD1-N 3.25Å; D132-V135 HydrophobicContact CB-CB 4.26Å; D132-V135 HydrophobicContact CB-CG2 3.95Å; D132-V135 WeakPolarHBondContact O-CA 3.5Å; D132-V135 WeakPolarHBondContact O-CB 3.34Å; D132-V135 PolarHBondContact O-N 3.13Å; D132-L136 PolarHBondContact O-N 3.03Å
133E90.7Very high72.9Confident165 Ų16594.3 Ų94.377%0.77149%0.487SS*.Hα-helixtrans-51.6-37.6177.6-175.8177.2-177.700111.2L136 M137E133-L136 PolarHBondContact O-N 3.11Å; E133-M137 PolarHBondContact O-N 3.49Å
134T92.2Very high75.5Confident14 Ų1489.3 Ų89.39%0.08648%0.475CS..Hα-helixtrans-66.3-38.8177-62.90000111.7D132 M137 I138 F162 I197 D199D132-T134 PolarHBondContact O-N 3.29Å; D132-T134 VanDerWaalsContact O-N 3.14Å; D132-T134 WeakPolarHBondContact OD1-CB 3.1Å; D132-T134 PolarHBondContact OD1-N 3.25Å; T134-M137 PolarHBondContact O-N 2.6Å; T134-I138 HydrophobicContact CG2-CD1 4.07Å; T134-I138 WeakPolarHBondContact O-CD1 3.22Å; T134-I138 VanDerWaalsContact O-CG1 3.23Å; T134-I138 WeakPolarHBondContact O-CG1 3.23Å; T134-I138 PolarHBondContact O-N 3.28Å; T134-F162 HydrophobicContact CG2-CD1 4.03Å; T134-F162 HydrophobicContact CG2-CE1 3.38Å; T134-F162 HydrophobicContact CG2-CZ 3.86Å; T134-I197 HydrophobicContact CG2-CG2 3.68Å; T134-D199 HydrophobicContact CG2-CB 4.2Å; T134-D199 PolarHBondContact OG1-OD2 2.89Å
135V94.4Very high78.4Confident20 Ų2089.4 Ų89.412%0.12147%0.467CS..Hα-helixtrans-66-42.1176.6171.60000111.2D132 I138 K139 F159 F162D132-V135 HydrophobicContact CB-CB 4.26Å; D132-V135 HydrophobicContact CB-CG2 3.95Å; D132-V135 WeakPolarHBondContact O-CA 3.5Å; D132-V135 WeakPolarHBondContact O-CB 3.34Å; D132-V135 PolarHBondContact O-N 3.13Å; V135-I138 PolarHBondContact O-N 3.05Å; V135-K139 HydrophobicContact CG1-CD 4.25Å; V135-K139 WeakPolarHBondContact O-CG 3.02Å; V135-K139 PolarHBondContact O-N 3.28Å; V135-F159 HydrophobicContact CG1-CE1 3.86Å; V135-F159 HydrophobicContact CG1-CZ 3.8Å; V135-F159 HydrophobicContact CG2-CZ 4.35Å; V135-F162 HydrophobicContact CG2-CB 4.04Å; V135-F162 HydrophobicContact CG2-CD1 4.13Å
136L93.1Very high81Confident90 Ų9081.8 Ų81.847%0.47143%0.426SS..Hα-helixtrans-61.3-45.3176.3-69173.5000111.2E131 D132 E133 I138 K139 E140E131-L136 HydrophobicContact CB-CD2 4.02Å; E131-L136 HydrophobicContact CB-CG 4.06Å; E131-L136 WeakPolarHBondContact OE2-CD2 3.48Å; D132-L136 PolarHBondContact O-N 3.03Å; E133-L136 PolarHBondContact O-N 3.11Å; L136-I138 PolarHBondContact O-N 2.77Å; L136-K139 PolarHBondContact O-N 2.81Å; L136-E140 WeakPolarHBondContact O-CB 3.42Å; L136-E140 PolarHBondContact O-N 3.3Å
137M93.8Very high83.5Confident67 Ų6778.8 Ų78.833%0.3341%0.407SS..Hα-helixtrans-63.8-39.6177.2-172.9174.442.700112.2E133 T134 E140 L141 I197E133-M137 PolarHBondContact O-N 3.49Å; T134-M137 PolarHBondContact O-N 2.6Å; M137-E140 PolarHBondContact O-N 2.79Å; M137-L141 WeakPolarHBondContact O-CB 3.43Å; M137-L141 WeakPolarHBondContact O-CG 3.37Å; M137-L141 PolarHBondContact O-N 3.41Å; M137-I197 HydrophobicContact CB-CD1 4.08Å; M137-I197 HydrophobicContact CE-CB 3.96Å; M137-I197 HydrophobicContact CE-CD1 3.84Å; M137-I197 HydrophobicContact CE-CG1 3.53Å; M137-I197 HydrophobicContact CE-CG2 3.62Å; M137-I197 HydrophobicContact CG-CD1 3.73Å; M137-I197 HydrophobicContact CG-CG1 3.99Å; M137-I197 HydrophobicContact SD-CD1 4.27Å; M137-I197 HydrophobicContact SD-CG1 3.9Å
138I95.3Very high86.1Confident0 Ų074 Ų740%039%0.392CS..Hα-helixtrans-59-51.2173.8-70.1160.6000110.1T134 V135 L136 E140 L141 L142 F159 F162 V167 L193 I197 V200T134-I138 HydrophobicContact CG2-CD1 4.07Å; T134-I138 WeakPolarHBondContact O-CD1 3.22Å; T134-I138 VanDerWaalsContact O-CG1 3.23Å; T134-I138 WeakPolarHBondContact O-CG1 3.23Å; T134-I138 PolarHBondContact O-N 3.28Å; V135-I138 PolarHBondContact O-N 3.05Å; L136-I138 PolarHBondContact O-N 2.77Å; I138-E140 PolarHBondContact O-N 3.21Å; I138-L141 PolarHBondContact O-N 3.07Å; I138-L142 HydrophobicContact CG2-CD1 3.82Å; I138-L142 HydrophobicContact CG2-CG 4.31Å; I138-L142 VanDerWaalsContact O-CG 3.28Å; I138-L142 WeakPolarHBondContact O-CG 3.36Å; I138-L142 PolarHBondContact O-N 2.89Å; I138-F159 HydrophobicContact CG2-CD2 3.79Å; I138-F159 HydrophobicContact CG2-CE2 3.82Å; I138-F162 HydrophobicContact CD1-CB 3.95Å; I138-F162 HydrophobicContact CD1-CD1 3.9Å; I138-F162 HydrophobicContact CD1-CD2 3.76Å; I138-F162 HydrophobicContact CD1-CE1 4.32Å; I138-F162 HydrophobicContact CD1-CE2 4.16Å; I138-F162 HydrophobicContact CD1-CG 3.59Å; I138-F162 HydrophobicContact CD1-CZ 4.43Å; I138-V167 HydrophobicContact CD1-CG2 3.82Å; I138-V167 HydrophobicContact CG1-CG2 4.42Å; I138-V167 HydrophobicContact CG2-CG1 4.05Å; I138-L193 HydrophobicContact CG2-CD2 4.29Å; I138-I197 HydrophobicContact CB-CD1 4.15Å; I138-I197 HydrophobicContact CG1-CD1 3.4Å; I138-V200 HydrophobicContact CD1-CG2 4.26Å; I138-V200 HydrophobicContact CG1-CG2 4.37Å
139K95.4Very high88.3Confident58 Ų5873.4 Ų73.425%0.25238%0.38SS..Hα-helixtrans-60.7-44.8-178.7-72.6176.8178.8-179.40111.7E131 V135 L136 L141 L142 D143 F159E131-K139 IonicContact OE1-NZ 2.86Å; E131-K139 PolarHBondContact OE1-NZ 2.88Å; E131-K139 IonicContact OE2-NZ 2.61Å; E131-K139 PolarHBondContact OE2-NZ 2.61Å; V135-K139 HydrophobicContact CG1-CD 4.25Å; V135-K139 WeakPolarHBondContact O-CG 3.02Å; V135-K139 PolarHBondContact O-N 3.28Å; L136-K139 PolarHBondContact O-N 2.81Å; K139-L141 PolarHBondContact O-N 3.46Å; K139-L142 PolarHBondContact O-N 3.14Å; K139-D143 WeakPolarHBondContact O-CB 3.43Å; K139-D143 PolarHBondContact O-N 2.86Å; K139-F159 HydrophobicContact CG-CD1 4.24Å; K139-F159 HydrophobicContact CG-CG 4.26Å
140E94.9Very high90.5Very high138 Ų13866.5 Ų66.565%0.64534%0.343SS*.Hα-helixtrans-60.7-45.2178.1-173.8-179.9178.100111.8L136 M137 I138 L142 D143 A144L136-E140 WeakPolarHBondContact O-CB 3.42Å; L136-E140 PolarHBondContact O-N 3.3Å; M137-E140 PolarHBondContact O-N 2.79Å; I138-E140 PolarHBondContact O-N 3.21Å; E140-L142 PolarHBondContact O-N 2.74Å; E140-D143 PolarHBondContact O-N 3.4Å; E140-A144 WeakPolarHBondContact O-CB 3.21Å; E140-A144 PolarHBondContact O-N 2.87Å
141L95Very high92.4Very high21 Ų2160.2 Ų60.211%0.1131%0.308CS..Hα-helixtrans-64-40.9177-75.3178.1000112.6M137 I138 K139 R145 M192 L193 Y196 I197M137-L141 WeakPolarHBondContact O-CB 3.43Å; M137-L141 WeakPolarHBondContact O-CG 3.37Å; M137-L141 PolarHBondContact O-N 3.41Å; I138-L141 PolarHBondContact O-N 3.07Å; K139-L141 PolarHBondContact O-N 3.46Å; L141-R145 WeakPolarHBondContact O-CB 3.18Å; L141-R145 PolarHBondContact O-N 2.87Å; L141-M192 HydrophobicContact CB-CE 3.95Å; L141-L193 HydrophobicContact CB-CD2 4.28Å; L141-L193 HydrophobicContact CD1-CD2 4.21Å; L141-Y196 VanDerWaalsContact CD1-CB 3.41Å; L141-Y196 HydrophobicContact CD1-CD2 4.23Å; L141-Y196 HydrophobicContact CD1-CG 4.03Å; L141-Y196 HydrophobicContact CD2-CD2 4.12Å; L141-Y196 HydrophobicContact CD2-CG 4.13Å; L141-I197 HydrophobicContact CD1-CD1 3.71Å; L141-I197 HydrophobicContact CD1-CG1 3.77Å
142L95.7Very high93.6Very high4 Ų463.8 Ų63.82%0.02133%0.325CS..Iπ-helixtrans-61.1-49.8176.3-71.2172.7000110.5I138 K139 E140 I146 R147 F159 L169 V189I138-L142 HydrophobicContact CG2-CD1 3.82Å; I138-L142 HydrophobicContact CG2-CG 4.31Å; I138-L142 VanDerWaalsContact O-CG 3.28Å; I138-L142 WeakPolarHBondContact O-CG 3.36Å; I138-L142 PolarHBondContact O-N 2.89Å; K139-L142 PolarHBondContact O-N 3.14Å; E140-L142 PolarHBondContact O-N 2.74Å; L142-I146 HydrophobicContact CD2-CB 4.15Å; L142-I146 HydrophobicContact CD2-CG1 4.09Å; L142-I146 HydrophobicContact CD2-CG2 4.31Å; L142-I146 PolarHBondContact O-N 3.29Å; L142-R147 WeakPolarHBondContact O-CG 3.49Å; L142-R147 PolarHBondContact O-N 2.88Å; L142-F159 HydrophobicContact CD1-CB 4.03Å; L142-F159 HydrophobicContact CD1-CD2 4.26Å; L142-L169 HydrophobicContact CD1-CD2 3.77Å; L142-L169 HydrophobicContact CD2-CD1 4.38Å; L142-V189 HydrophobicContact CD2-CG1 4.12Å
143D94.7Very high94Very high86 Ų8662 Ų6246%0.4632%0.315SS..Iπ-helixtrans-65.8-41.4-178.7-75.9-17.4000112.8K139 E140 R147 P148K139-D143 WeakPolarHBondContact O-CB 3.43Å; K139-D143 PolarHBondContact O-N 2.86Å; E140-D143 PolarHBondContact O-N 3.4Å; D143-R147 WeakPolarHBondContact OD1-CD 3.25Å; D143-R147 IonicContact OD1-CZ 2.65Å; D143-R147 IonicContact OD1-NE 2.68Å; D143-R147 IonicContact OD1-NH1 3.96Å; D143-R147 PolarHBondContact OD1-NH1 3.25Å; D143-P148 WeakPolarHBondContact O-CD 3.31Å
144A94.5Very high94.1Very high67 Ų6754.1 Ų54.155%0.55428%0.278SS*.Iπ-helixtrans-79.5-29.9-174.800000113.7E140E140-A144 WeakPolarHBondContact O-CB 3.21Å; E140-A144 PolarHBondContact O-N 2.87Å
145R93.4Very high94.2Very high123 Ų12353.4 Ų53.446%0.46427%0.274SS..Iπ-helixtrans-128.4-33.8-168.1-60.1-168179.6-165.36.6115.8L141 M192 Y196L141-R145 WeakPolarHBondContact O-CB 3.18Å; L141-R145 PolarHBondContact O-N 2.87Å; R145-M192 HydrophobicContact CB-CE 4.09Å; R145-M192 HydrophobicContact CB-SD 3.74Å; R145-M192 HydrophobicContact CG-SD 4.49Å; R145-Y196 VanDerWaalsContact NH1-CE2 3.26Å; R145-Y196 PolarHBondContact NH1-OH 2.73Å
146I93.3Very high94.3Very high19 Ų1952.5 Ų52.510%0.09727%0.269CS..Iπ-helixtrans-92.3-54.4-174.8-61.5-56.5000110.9L142 P148 T149 V150 I157 V189 M192L142-I146 HydrophobicContact CD2-CB 4.15Å; L142-I146 HydrophobicContact CD2-CG1 4.09Å; L142-I146 HydrophobicContact CD2-CG2 4.31Å; L142-I146 PolarHBondContact O-N 3.29Å; I146-P148 VanDerWaalsContact C-CD 3.45Å; I146-P148 VanDerWaalsContact C-N 3.34Å; I146-T149 PolarHBondContact O-N 3.37Å; I146-T149 VanDerWaalsContact O-N 3.16Å; I146-V150 HydrophobicContact CG2-CG2 3.9Å; I146-V150 WeakPolarHBondContact O-CG2 3.12Å; I146-V150 PolarHBondContact O-N 3.27Å; I146-I157 HydrophobicContact CG2-CD1 3.66Å; I146-I157 HydrophobicContact CG2-CG1 4.44Å; I146-V189 HydrophobicContact CD1-CG2 4.08Å; I146-V189 HydrophobicContact CG1-CG2 4.3Å; I146-V189 HydrophobicContact CG2-CG2 3.68Å; I146-M192 HydrophobicContact CD1-CB 4.49Å; I146-M192 HydrophobicContact CD1-CE 3.52Å; I146-M192 HydrophobicContact CD1-SD 3.47Å; I146-M192 WeakPolarHBondContact CD1-SD 3.25Å; I146-M192 HydrophobicContact CG1-CE 3.38Å; I146-M192 HydrophobicContact CG1-SD 4.02Å
147R94.9Very high94.3Very high53 Ų5348.4 Ų48.420%0.225%0.247CC..Hα-helixtrans-56.8-39.3-176.4-68.6-179.171.5-158.11.1113.3L142 D143 T149 V150 Q151 D156L142-R147 WeakPolarHBondContact O-CG 3.49Å; L142-R147 PolarHBondContact O-N 2.88Å; D143-R147 WeakPolarHBondContact OD1-CD 3.25Å; D143-R147 IonicContact OD1-CZ 2.65Å; D143-R147 IonicContact OD1-NE 2.68Å; D143-R147 IonicContact OD1-NH1 3.96Å; D143-R147 PolarHBondContact OD1-NH1 3.25Å; R147-T149 PolarHBondContact O-N 3.28Å; R147-V150 PolarHBondContact O-N 3.32Å; R147-Q151 VanDerWaalsContact O-CB 3.31Å; R147-Q151 WeakPolarHBondContact O-CB 3.42Å; R147-Q151 VanDerWaalsContact O-CG 3.27Å; R147-Q151 WeakPolarHBondContact O-CG 3.46Å; R147-Q151 PolarHBondContact O-N 3.46Å; R147-D156 WeakPolarHBondContact CG-OD1 3.27Å; R147-D156 IonicContact CZ-OD1 3.64Å; R147-D156 IonicContact CZ-OD2 3.74Å; R147-D156 IonicContact NE-OD1 3.74Å; R147-D156 PolarHBondContact NE-OD1 2.87Å; R147-D156 IonicContact NE-OD2 2.87Å; R147-D156 PolarHBondContact NE-OD2 2.98Å; R147-D156 IonicContact NH2-OD1 2.74Å; R147-D156 IonicContact NH2-OD2 3.7Å; R147-D156 PolarHBondContact NH2-OD2 2.75Å
148P94.2Very high94.3Very high67 Ų6747.3 Ų47.344%0.43524%0.242SC..Hα-helixtrans-57.3-46.9176.1-27.136.6000113D143 I146 Q151 E152D143-P148 WeakPolarHBondContact O-CD 3.31Å; I146-P148 VanDerWaalsContact C-CD 3.45Å; I146-P148 VanDerWaalsContact C-N 3.34Å; P148-Q151 PolarHBondContact O-N 3.5Å; P148-E152 PolarHBondContact O-N 3.19Å
149T92.5Very high94.3Very high79 Ų7949.3 Ų49.349%0.48525%0.251SS..Hα-helixtrans-67.8-40.3178.5-55.20000111.7I146 R147 Q151 E152 D153I146-T149 PolarHBondContact O-N 3.37Å; I146-T149 VanDerWaalsContact O-N 3.16Å; R147-T149 PolarHBondContact O-N 3.28Å; T149-Q151 PolarHBondContact O-N 2.76Å; T149-E152 WeakPolarHBondContact O-CB 3.12Å; T149-E152 PolarHBondContact O-N 2.87Å; T149-D153 PolarHBondContact O-N 3.46Å
150V93.3Very high94.2Very high2 Ų249.9 Ų49.91%0.01225%0.254CS..Hα-helixtrans-68-37.5179.4178.70000111.7I146 R147 E152 D153 G154 G155 I157 C175 L185I146-V150 HydrophobicContact CG2-CG2 3.9Å; I146-V150 WeakPolarHBondContact O-CG2 3.12Å; I146-V150 PolarHBondContact O-N 3.27Å; R147-V150 PolarHBondContact O-N 3.32Å; V150-E152 VanDerWaalsContact C-N 3.34Å; V150-D153 CarbonylContact O-C 3.57Å; V150-D153 PolarHBondContact O-N 3.27Å; V150-G154 PolarHBondContact O-N 3.42Å; V150-G155 PolarHBondContact O-N 2.94Å; V150-I157 HydrophobicContact CB-CG1 4.4Å; V150-I157 HydrophobicContact CG1-CG1 3.97Å; V150-I157 HydrophobicContact CG2-CD1 3.91Å; V150-I157 HydrophobicContact CG2-CG1 4.01Å; V150-C175 HydrophobicContact CG1-CB 4.39Å; V150-C175 VanDerWaalsContact CG1-SG 3.55Å; V150-L185 HydrophobicContact CG2-CD1 3.78Å; V150-L185 HydrophobicContact CG2-CD2 4.26Å
151Q94.8Very high94.1Very high35 Ų3545.5 Ų45.516%0.16423%0.234CC..Hα-helixtrans-71.2-30.6175.2-71.7176.428.700112.2K39 T51 F84 R147 P148 T149 D153 G154 G155 D156K39-Q151 PolarHBondContact NZ-O 3.49Å; T51-Q151 HydrophobicContact CG2-CG 4.32Å; F84-Q151 HydrophobicContact CE1-CB 4.47Å; F84-Q151 HydrophobicContact CZ-CB 4.31Å; F84-Q151 VanDerWaalsContact CZ-O 3.23Å; F84-Q151 WeakPolarHBondContact CZ-O 3.07Å; R147-Q151 VanDerWaalsContact O-CB 3.31Å; R147-Q151 WeakPolarHBondContact O-CB 3.42Å; R147-Q151 VanDerWaalsContact O-CG 3.27Å; R147-Q151 WeakPolarHBondContact O-CG 3.46Å; R147-Q151 PolarHBondContact O-N 3.46Å; P148-Q151 PolarHBondContact O-N 3.5Å; T149-Q151 PolarHBondContact O-N 2.76Å; Q151-D153 VanDerWaalsContact C-N 3.27Å; Q151-D153 PolarHBondContact O-N 3.18Å; Q151-G154 PolarHBondContact O-N 3.09Å; Q151-G155 VanDerWaalsContact CA-O 3.25Å; Q151-G155 WeakPolarHBondContact CA-O 3.41Å; Q151-G155 VanDerWaalsContact CG-O 3.26Å; Q151-G155 WeakPolarHBondContact CG-O 3.48Å; Q151-D156 HydrophobicContact CG-CB 4.45Å; Q151-D156 PolarHBondContact NE2-OD1 3.2Å; Q151-D156 VanDerWaalsContact NE2-OD1 3.14Å; Q151-D156 PolarHBondContact NE2-OD2 3.49Å
152E93.2Very high94.1Very high138 Ų13846.4 Ų46.465%0.64524%0.237SC*.Hα-helixtrans-58-42.4169.2-168.1173-173.600111K39 P148 T149 V150 G154K39-E152 WeakPolarHBondContact CD-O 3.44Å; K39-E152 PolarHBondContact NZ-O 3.37Å; P148-E152 PolarHBondContact O-N 3.19Å; T149-E152 WeakPolarHBondContact O-CB 3.12Å; T149-E152 PolarHBondContact O-N 2.87Å; V150-E152 VanDerWaalsContact C-N 3.34Å; E152-G154 PolarHBondContact O-N 3.28Å
153D94Very high94Very high55 Ų5552.3 Ų52.329%0.29426%0.263SS..THydrogen-bonded Turntrans-76.7-2.4174.8-69.8-18.6000114.4T32 P33 T149 V150 Q151 S174T32-D153 VanDerWaalsContact CB-O 3.31Å; T32-D153 WeakPolarHBondContact CB-O 3.5Å; T32-D153 VanDerWaalsContact CG2-O 3.26Å; T32-D153 WeakPolarHBondContact CG2-O 3.39Å; P33-D153 WeakPolarHBondContact CD-OD1 3.38Å; P33-D153 HydrophobicContact CG-CB 4.24Å; P33-D153 WeakPolarHBondContact CG-OD1 3.46Å; T149-D153 PolarHBondContact O-N 3.46Å; V150-D153 CarbonylContact O-C 3.57Å; V150-D153 PolarHBondContact O-N 3.27Å; Q151-D153 VanDerWaalsContact C-N 3.27Å; Q151-D153 PolarHBondContact O-N 3.18Å; D153-S174 WeakPolarHBondContact O-CB 3.4Å; D153-S174 PolarHBondContact O-OG 2.76Å
154G94Very high93.9Very high0 Ų054.6 Ų54.60%028%0.275CS..THydrogen-bonded Turntrans87.920.4173.900000115.1F79 T86 V150 Q151 E152 S174F79-G154 WeakPolarHBondContact CD1-O 3.26Å; T86-G154 WeakPolarHBondContact CB-O 3.32Å; T86-G154 WeakPolarHBondContact CG2-O 3.46Å; T86-G154 WeakPolarHBondContact OG1-CA 3.25Å; T86-G154 PolarHBondContact OG1-O 3.48Å; V150-G154 PolarHBondContact O-N 3.42Å; Q151-G154 PolarHBondContact O-N 3.09Å; E152-G154 PolarHBondContact O-N 3.28Å; G154-S174 PolarHBondContact O-N 2.82Å; G154-S174 PolarHBondContact O-OG 2.88Å
155G94.4Very high93.9Very high0 Ų051.8 Ų51.80%025%0.253CS..EExtended strand (participates in β ladder)trans-121.1-165.2171.800000113.2V150 Q151 Q172V150-G155 PolarHBondContact O-N 2.94Å; Q151-G155 VanDerWaalsContact CA-O 3.25Å; Q151-G155 WeakPolarHBondContact CA-O 3.41Å; Q151-G155 VanDerWaalsContact CG-O 3.26Å; Q151-G155 WeakPolarHBondContact CG-O 3.48Å; G155-Q172 WeakPolarHBondContact CA-O 3.49Å
156D95.5Very high94Very high0 Ų048 Ų480%024%0.242CC..EExtended strand (participates in β ladder)trans-152.2168.9165.2-156.76.9000110.1T51 F79 R147 Q151 Q172T51-D156 WeakPolarHBondContact CB-OD2 3.29Å; T51-D156 HydrophobicContact CG2-CB 4.11Å; T51-D156 VanDerWaalsContact CG2-OD2 3.22Å; T51-D156 WeakPolarHBondContact CG2-OD2 3.31Å; T51-D156 PolarHBondContact OG1-OD2 3.46Å; F79-D156 HydrophobicContact CE2-CB 3.97Å; F79-D156 HydrophobicContact CZ-CB 3.8Å; R147-D156 WeakPolarHBondContact CG-OD1 3.27Å; R147-D156 IonicContact CZ-OD1 3.64Å; R147-D156 IonicContact CZ-OD2 3.74Å; R147-D156 IonicContact NE-OD1 3.74Å; R147-D156 PolarHBondContact NE-OD1 2.87Å; R147-D156 IonicContact NE-OD2 2.87Å; R147-D156 PolarHBondContact NE-OD2 2.98Å; R147-D156 IonicContact NH2-OD1 2.74Å; R147-D156 IonicContact NH2-OD2 3.7Å; R147-D156 PolarHBondContact NH2-OD2 2.75Å; Q151-D156 HydrophobicContact CG-CB 4.45Å; Q151-D156 PolarHBondContact NE2-OD1 3.2Å; Q151-D156 VanDerWaalsContact NE2-OD1 3.14Å; Q151-D156 PolarHBondContact NE2-OD2 3.49Å; D156-Q172 HydrophobicContact CB-CB 4.34Å; D156-Q172 PolarHBondContact N-O 3.39Å; D156-Q172 PolarHBondContact O-N 2.99Å
157I93.5Very high94.2Very high4 Ų447.1 Ų47.12%0.02124%0.237CC..EExtended strand (participates in β ladder)trans-124.1129.5171.2-56-166.1000109.2I146 V150 L169 K170 L171 L185 V189I146-I157 HydrophobicContact CG2-CD1 3.66Å; I146-I157 HydrophobicContact CG2-CG1 4.44Å; V150-I157 HydrophobicContact CB-CG1 4.4Å; V150-I157 HydrophobicContact CG1-CG1 3.97Å; V150-I157 HydrophobicContact CG2-CD1 3.91Å; V150-I157 HydrophobicContact CG2-CG1 4.01Å; I157-L169 HydrophobicContact CG2-CB 3.82Å; I157-L169 HydrophobicContact CG2-CD1 3.93Å; I157-L169 HydrophobicContact CG2-CD2 4.04Å; I157-L169 HydrophobicContact CG2-CG 4.14Å; I157-K170 WeakPolarHBondContact CA-O 3.38Å; I157-L171 HydrophobicContact CB-CD2 4.49Å; I157-L171 HydrophobicContact CD1-CD2 3.63Å; I157-L171 HydrophobicContact CG1-CD2 3.66Å; I157-L171 HydrophobicContact CG2-CD2 4.31Å; I157-L185 HydrophobicContact CD1-CD1 4.43Å; I157-L185 HydrophobicContact CD1-CD2 4.13Å; I157-L185 HydrophobicContact CD1-CG 4.33Å; I157-V189 HydrophobicContact CD1-CG2 4Å
158I93.3Very high94.2Very high45 Ų4548.7 Ų48.723%0.23124%0.243CC..EExtended strand (participates in β ladder)trans-110.6122.4176.6-55.4-58.6000109.3K160 L169 K170 Q172I158-K160 PolarHBondContact O-N 3.49Å; I158-L169 WeakPolarHBondContact O-CA 2.96Å; I158-K170 HydrophobicContact CB-CB 4.35Å; I158-K170 PolarHBondContact N-O 3.14Å; I158-K170 PolarHBondContact O-N 3.09Å; I158-Q172 HydrophobicContact CG1-CG 4.28Å; I158-Q172 VanDerWaalsContact CG1-OE1 3.29Å
159F94.9Very high94.2Very high42 Ų4245.8 Ų45.818%0.18422%0.224CC..EExtended strand (participates in β ladder)trans-64.4128.8168.7176.6-94.8000110V135 I138 K139 L142 D161 F162 V167 L169V135-F159 HydrophobicContact CG1-CE1 3.86Å; V135-F159 HydrophobicContact CG1-CZ 3.8Å; V135-F159 HydrophobicContact CG2-CZ 4.35Å; I138-F159 HydrophobicContact CG2-CD2 3.79Å; I138-F159 HydrophobicContact CG2-CE2 3.82Å; K139-F159 HydrophobicContact CG-CD1 4.24Å; K139-F159 HydrophobicContact CG-CG 4.26Å; L142-F159 HydrophobicContact CD1-CB 4.03Å; L142-F159 HydrophobicContact CD1-CD2 4.26Å; F159-D161 WeakPolarHBondContact CE2-O 3.49Å; F159-D161 VanDerWaalsContact CZ-CA 3.47Å; F159-F162 HydrophobicContact CE2-CB 4.02Å; F159-F162 HydrophobicContact CZ-CB 3.89Å; F159-V167 HydrophobicContact CD2-CG1 4.08Å; F159-V167 HydrophobicContact CE2-CG1 4.06Å; F159-L169 HydrophobicContact CB-CD2 4.39Å; F159-L169 HydrophobicContact CD2-CD2 4.25Å
160K93.9Very high94.2Very high70 Ų7042.6 Ų42.630%0.30420%0.203SC..EExtended strand (participates in β ladder)trans-103.1-54.3176.1-65.8-64.6-175.2168.20111.1I158 R168 K170 V206 D208I158-K160 PolarHBondContact O-N 3.49Å; K160-R168 HydrophobicContact CB-CB 4.36Å; K160-R168 WeakPolarHBondContact CB-O 3.41Å; K160-R168 PolarHBondContact N-O 3.42Å; K160-K170 HydrophobicContact CD-CB 4.4Å; K160-K170 HydrophobicContact CG-CB 4.14Å; K160-V206 HydrophobicContact CB-CG2 4.05Å; K160-V206 HydrophobicContact CG-CG2 3.62Å; K160-D208 WeakPolarHBondContact CE-OD1 3.37Å; K160-D208 IonicContact NZ-OD1 3.15Å; K160-D208 PolarHBondContact NZ-OD1 2.75Å; K160-D208 IonicContact NZ-OD2 3.7Å; K160-D208 PolarHBondContact NZ-OD2 2.84Å
161D93.7Very high94.2Very high45 Ų4543.2 Ų43.224%0.24121%0.206CC..EExtended strand (participates in β ladder)trans-165.7175.9174.361.965.5000111.9F159 R168F159-D161 WeakPolarHBondContact CE2-O 3.49Å; F159-D161 VanDerWaalsContact CZ-CA 3.47Å; D161-R168 PolarHBondContact N-O 2.84Å; D161-R168 PolarHBondContact O-N 3.16Å; D161-R168 IonicContact OD1-CZ 3.02Å; D161-R168 IonicContact OD1-NE 2.63Å; D161-R168 PolarHBondContact OD1-NE 3.06Å; D161-R168 IonicContact OD1-NH2 2.77Å; D161-R168 PolarHBondContact OD1-NH2 3.18Å; D161-R168 IonicContact OD2-CZ 2.83Å; D161-R168 IonicContact OD2-NE 3.1Å; D161-R168 PolarHBondContact OD2-NE 3.28Å; D161-R168 VanDerWaalsContact OD2-NE 3.1Å; D161-R168 IonicContact OD2-NH1 3.48Å; D161-R168 PolarHBondContact OD2-NH1 3.08Å; D161-R168 IonicContact OD2-NH2 2.69Å; D161-R168 PolarHBondContact OD2-NH2 3.38Å
162F94.7Very high94.2Very high40 Ų4042.6 Ų42.618%0.17520%0.203CC..EExtended strand (participates in β ladder)trans-135.7124.1172.9174.4-121000108.9T134 V135 I138 F159 G165 I166 V167 D199 V200T134-F162 HydrophobicContact CG2-CD1 4.03Å; T134-F162 HydrophobicContact CG2-CE1 3.38Å; T134-F162 HydrophobicContact CG2-CZ 3.86Å; V135-F162 HydrophobicContact CG2-CB 4.04Å; V135-F162 HydrophobicContact CG2-CD1 4.13Å; I138-F162 HydrophobicContact CD1-CB 3.95Å; I138-F162 HydrophobicContact CD1-CD1 3.9Å; I138-F162 HydrophobicContact CD1-CD2 3.76Å; I138-F162 HydrophobicContact CD1-CE1 4.32Å; I138-F162 HydrophobicContact CD1-CE2 4.16Å; I138-F162 HydrophobicContact CD1-CG 3.59Å; I138-F162 HydrophobicContact CD1-CZ 4.43Å; F159-F162 HydrophobicContact CE2-CB 4.02Å; F159-F162 HydrophobicContact CZ-CB 3.89Å; F162-G165 VanDerWaalsContact CE2-C 3.49Å; F162-I166 WeakPolarHBondContact CA-O 3.35Å; F162-I166 WeakPolarHBondContact CD2-O 3.46Å; F162-V167 HydrophobicContact CD2-CB 4.45Å; F162-V167 HydrophobicContact CD2-CG2 3.56Å; F162-V167 HydrophobicContact CE2-CG2 3.98Å; F162-D199 HydrophobicContact CZ-CB 4.2Å; F162-V200 HydrophobicContact CE2-CG2 4.02Å; F162-V200 HydrophobicContact CZ-CG2 4.43Å
163K94Very high94.2Very high128 Ų12836 Ų3656%0.55717%0.173SC*.EExtended strand (participates in β ladder)trans-152.4138.7-179.6-171.3-176.9173.1-174.50111G165 I166K163-G165 PolarHBondContact O-N 3.26Å; K163-G165 VanDerWaalsContact O-N 3.14Å; K163-I166 PolarHBondContact N-O 3.19Å; K163-I166 WeakPolarHBondContact O-CB 3.42Å; K163-I166 PolarHBondContact O-N 3.02Å
164D92.9Very high94.1Very high134 Ų13433.5 Ų33.572%0.71716%0.16SC*.THydrogen-bonded Turntrans53.334.7176.3-55.4-41.9000113I166D164-I166 VanDerWaalsContact C-N 3.26Å; D164-I166 PolarHBondContact O-N 3.29Å
165G93.9Very high93.8Very high9 Ų934 Ų349%0.09316%0.163CC..THydrogen-bonded Turntrans77.81.3-176.300000115F162 K163 D199 V200 L201 G202F162-G165 VanDerWaalsContact CE2-C 3.49Å; K163-G165 PolarHBondContact O-N 3.26Å; K163-G165 VanDerWaalsContact O-N 3.14Å; G165-D199 VanDerWaalsContact CA-O 3.26Å; G165-D199 WeakPolarHBondContact CA-O 3.23Å; G165-V200 CarbonylContact O-C 3.56Å; G165-L201 PolarHBondContact O-N 3.29Å; G165-G202 PolarHBondContact O-N 3.45Å
166I96.3Very high93.5Very high44 Ų4435.1 Ų35.123%0.22617%0.171CC..EExtended strand (participates in β ladder)trans-102.3122.5-179.6-54.8-56.8000110.4F162 K163 D164 L201 G202 E204F162-I166 WeakPolarHBondContact CA-O 3.35Å; F162-I166 WeakPolarHBondContact CD2-O 3.46Å; K163-I166 PolarHBondContact N-O 3.19Å; K163-I166 WeakPolarHBondContact O-CB 3.42Å; K163-I166 PolarHBondContact O-N 3.02Å; D164-I166 VanDerWaalsContact C-N 3.26Å; D164-I166 PolarHBondContact O-N 3.29Å; I166-L201 HydrophobicContact CD1-CB 4.42Å; I166-G202 WeakPolarHBondContact CA-O 3.28Å; I166-E204 HydrophobicContact CG2-CB 4.05Å; I166-E204 HydrophobicContact CG2-CG 3.66Å
167V96Very high93Very high0 Ų037.3 Ų37.30%019%0.186CC..EExtended strand (participates in β ladder)trans-90.8118.8173.8-176.60000109I138 F159 F162 L169 L193 V200 G202 V203 E204I138-V167 HydrophobicContact CD1-CG2 3.82Å; I138-V167 HydrophobicContact CG1-CG2 4.42Å; I138-V167 HydrophobicContact CG2-CG1 4.05Å; F159-V167 HydrophobicContact CD2-CG1 4.08Å; F159-V167 HydrophobicContact CE2-CG1 4.06Å; F162-V167 HydrophobicContact CD2-CB 4.45Å; F162-V167 HydrophobicContact CD2-CG2 3.56Å; F162-V167 HydrophobicContact CE2-CG2 3.98Å; V167-L169 HydrophobicContact CG1-CD1 4.44Å; V167-L169 HydrophobicContact CG1-CD2 3.66Å; V167-L169 HydrophobicContact CG1-CG 3.93Å; V167-L193 HydrophobicContact CB-CD1 4.38Å; V167-L193 HydrophobicContact CG1-CD1 4.24Å; V167-L193 HydrophobicContact CG2-CD1 4.21Å; V167-V200 HydrophobicContact CG2-CB 4.5Å; V167-V200 HydrophobicContact CG2-CG1 3.93Å; V167-V200 HydrophobicContact CG2-CG2 3.75Å; V167-G202 PolarHBondContact N-O 3.43Å; V167-V203 HydrophobicContact CB-CG2 4.3Å; V167-V203 CarbonylContact O-C 3.52Å; V167-V203 WeakPolarHBondContact O-CA 3.38Å; V167-E204 PolarHBondContact O-N 3.38Å
168R95.1Very high92.7Very high86 Ų8637.3 Ų37.333%0.32519%0.186SC..EExtended strand (participates in β ladder)trans-95.3121.8176.4-72.9-174.6-79.9164.53.1110.3K160 D161 E204 V206K160-R168 HydrophobicContact CB-CB 4.36Å; K160-R168 WeakPolarHBondContact CB-O 3.41Å; K160-R168 PolarHBondContact N-O 3.42Å; D161-R168 PolarHBondContact N-O 2.84Å; D161-R168 PolarHBondContact O-N 3.16Å; D161-R168 IonicContact OD1-CZ 3.02Å; D161-R168 IonicContact OD1-NE 2.63Å; D161-R168 PolarHBondContact OD1-NE 3.06Å; D161-R168 IonicContact OD1-NH2 2.77Å; D161-R168 PolarHBondContact OD1-NH2 3.18Å; D161-R168 IonicContact OD2-CZ 2.83Å; D161-R168 IonicContact OD2-NE 3.1Å; D161-R168 PolarHBondContact OD2-NE 3.28Å; D161-R168 VanDerWaalsContact OD2-NE 3.1Å; D161-R168 IonicContact OD2-NH1 3.48Å; D161-R168 PolarHBondContact OD2-NH1 3.08Å; D161-R168 IonicContact OD2-NH2 2.69Å; D161-R168 PolarHBondContact OD2-NH2 3.38Å; R168-E204 WeakPolarHBondContact CA-O 3.34Å; R168-E204 HydrophobicContact CG-CB 4.26Å; R168-V206 HydrophobicContact CB-CG1 4.02Å; R168-V206 HydrophobicContact CB-CG2 4.2Å; R168-V206 HydrophobicContact CG-CG1 3.97Å
169L94.3Very high92.2Very high5 Ų540.2 Ų40.23%0.02621%0.208CC..EExtended strand (participates in β ladder)trans-123.6139.8-175.9-59.1178.5000110.4L142 I157 I158 F159 V167 V189 V203 E204 Q205 V206L142-L169 HydrophobicContact CD1-CD2 3.77Å; L142-L169 HydrophobicContact CD2-CD1 4.38Å; I157-L169 HydrophobicContact CG2-CB 3.82Å; I157-L169 HydrophobicContact CG2-CD1 3.93Å; I157-L169 HydrophobicContact CG2-CD2 4.04Å; I157-L169 HydrophobicContact CG2-CG 4.14Å; I158-L169 WeakPolarHBondContact O-CA 2.96Å; F159-L169 HydrophobicContact CB-CD2 4.39Å; F159-L169 HydrophobicContact CD2-CD2 4.25Å; V167-L169 HydrophobicContact CG1-CD1 4.44Å; V167-L169 HydrophobicContact CG1-CD2 3.66Å; V167-L169 HydrophobicContact CG1-CG 3.93Å; L169-V189 HydrophobicContact CD1-CG1 3.63Å; L169-V203 HydrophobicContact CD1-CG1 3.58Å; L169-V203 HydrophobicContact CG-CG1 4.08Å; L169-E204 PolarHBondContact N-O 3.41Å; L169-Q205 CarbonylContact O-C 3.55Å; L169-Q205 VanDerWaalsContact O-CA 3.29Å; L169-Q205 WeakPolarHBondContact O-CA 3.43Å; L169-V206 PolarHBondContact O-N 3.33Å
170K93.1Very high91.6Very high12 Ų1241.6 Ų41.65%0.05222%0.223CC..EExtended strand (participates in β ladder)trans-99.8124.7167.4178.1-178.7-176.7-1780109.3I157 I158 K160 Q172 V206 D208 D211I157-K170 WeakPolarHBondContact CA-O 3.38Å; I158-K170 HydrophobicContact CB-CB 4.35Å; I158-K170 PolarHBondContact N-O 3.14Å; I158-K170 PolarHBondContact O-N 3.09Å; K160-K170 HydrophobicContact CD-CB 4.4Å; K160-K170 HydrophobicContact CG-CB 4.14Å; K170-Q172 HydrophobicContact CD-CG 4.5Å; K170-Q172 HydrophobicContact CG-CG 4.38Å; K170-V206 WeakPolarHBondContact CA-O 3.32Å; K170-D208 WeakPolarHBondContact CD-OD2 3.37Å; K170-D208 WeakPolarHBondContact CE-OD2 3.45Å; K170-D208 IonicContact NZ-OD2 3.41Å; K170-D208 PolarHBondContact NZ-OD2 3.13Å; K170-D211 WeakPolarHBondContact CE-OD2 3.41Å; K170-D211 IonicContact NZ-OD1 2.79Å; K170-D211 IonicContact NZ-OD2 3.54Å; K170-D211 PolarHBondContact NZ-OD2 2.86Å
171L93.5Very high90.9Very high15 Ų1539.8 Ų39.88%0.07922%0.219CC..EExtended strand (participates in β ladder)trans-85.8140.2171.3-55.9-174.4000109.9I157 V182 L185 Q205I157-L171 HydrophobicContact CB-CD2 4.49Å; I157-L171 HydrophobicContact CD1-CD2 3.63Å; I157-L171 HydrophobicContact CG1-CD2 3.66Å; I157-L171 HydrophobicContact CG2-CD2 4.31Å; L171-V182 HydrophobicContact CD1-CG1 4.47Å; L171-L185 HydrophobicContact CD1-CD2 4.46Å; L171-L185 HydrophobicContact CD2-CD2 4.19Å; L171-Q205 HydrophobicContact CD1-CG 4.43Å; L171-Q205 HydrophobicContact CG-CG 4.22Å
172Q93.6Very high90.5Very high22 Ų2239.2 Ų39.210%0.10322%0.217CC..EExtended strand (participates in β ladder)trans-128.7160.7-178.5-67.3-172.7-39.300111.8D53 F79 G155 D156 I158 K170D53-Q172 HydrophobicContact CB-CB 3.91Å; D53-Q172 HydrophobicContact CB-CG 3.86Å; F79-Q172 HydrophobicContact CD2-CB 4.16Å; F79-Q172 HydrophobicContact CE2-CB 3.94Å; G155-Q172 WeakPolarHBondContact CA-O 3.49Å; D156-Q172 HydrophobicContact CB-CB 4.34Å; D156-Q172 PolarHBondContact N-O 3.39Å; D156-Q172 PolarHBondContact O-N 2.99Å; I158-Q172 HydrophobicContact CG1-CG 4.28Å; I158-Q172 VanDerWaalsContact CG1-OE1 3.29Å; K170-Q172 HydrophobicContact CD-CG 4.5Å; K170-Q172 HydrophobicContact CG-CG 4.38Å
173G93.6Very high90.1Very high0 Ų042 Ų420%024%0.237CC..EExtended strand (participates in β ladder)trans60-141178.500000113.3D53 C175 S176D53-G173 PolarHBondContact OD1-N 2.88Å; G173-C175 PolarHBondContact O-N 3.39Å; G173-C175 VanDerWaalsContact O-N 3.09Å; G173-S176 PolarHBondContact O-N 3.3Å; G173-S176 PolarHBondContact O-OG 3.47Å
174S92.5Very high89.8Confident3 Ų340.5 Ų40.52%0.02124%0.239CC..G310 helixtrans-53.3-33.5-175.9-530000113.5N34 S37 T86 D153 G154 S176 C178N34-S174 PolarHBondContact ND2-O 3.18Å; S37-S174 WeakPolarHBondContact CB-OG 3.37Å; T86-S174 WeakPolarHBondContact CG2-OG 3.39Å; D153-S174 WeakPolarHBondContact O-CB 3.4Å; D153-S174 PolarHBondContact O-OG 2.76Å; G154-S174 PolarHBondContact O-N 2.82Å; G154-S174 PolarHBondContact O-OG 2.88Å; S174-S176 VanDerWaalsContact C-N 3.32Å; S174-S176 PolarHBondContact O-N 2.61Å; S174-C178 WeakPolarHBondContact O-CB 3.47Å; S174-C178 PolarHBondContact O-N 3.07Å
175C88.1Confident89.6Confident9 Ų935.8 Ų35.86%0.06121%0.214CC..G310 helixtrans-76-20.7-171.8-590000113.2V150 G173 S177 V182 L185V150-C175 HydrophobicContact CG1-CB 4.39Å; V150-C175 VanDerWaalsContact CG1-SG 3.55Å; G173-C175 PolarHBondContact O-N 3.39Å; G173-C175 VanDerWaalsContact O-N 3.09Å; C175-S177 PolarHBondContact O-N 3.45Å; C175-V182 VanDerWaalsContact O-CG2 3.25Å; C175-V182 WeakPolarHBondContact O-CG2 3.49Å; C175-L185 HydrophobicContact CB-CD2 3.96Å
176S87.2Confident89.4Confident24 Ų2439 Ų3917%0.16823%0.225CC..G310 helixtrans-69.4-30.5-177.963.40000113.5R77 G173 S174R77-S176 PolarHBondContact NE-OG 3.24Å; G173-S176 PolarHBondContact O-N 3.3Å; G173-S176 PolarHBondContact O-OG 3.47Å; S174-S176 VanDerWaalsContact C-N 3.32Å; S174-S176 PolarHBondContact O-N 2.61Å
177S86.1Confident89.2Confident47 Ų4740.5 Ų40.533%0.32923%0.234SC..SBendtrans-120.310.4-176.459.70000113.8N34 C175 P179N34-S177 PolarHBondContact ND2-OG 3.2Å; C175-S177 PolarHBondContact O-N 3.45Å; S177-P179 VanDerWaalsContact O-CD 3.25Å; S177-P179 WeakPolarHBondContact O-CD 3.46Å
178C86.3Confident89.1Confident4 Ų442.3 Ų42.33%0.02725%0.252CS..  trans-72.3114-174.8-173.50000111.7N34 S174 S180 S181 V182N34-C178 HydrophobicContact CB-CB 3.94Å; S174-C178 WeakPolarHBondContact O-CB 3.47Å; S174-C178 PolarHBondContact O-N 3.07Å; C178-S180 VanDerWaalsContact C-N 3.26Å; C178-S180 PolarHBondContact O-N 2.95Å; C178-S180 PolarHBondContact SG-OG 3.23Å; C178-S180 VanDerWaalsContact SG-OG 3.37Å; C178-S181 PolarHBondContact O-N 3.47Å; C178-S181 WeakPolarHBondContact SG-CB 3.49Å; C178-S181 PolarHBondContact SG-N 3.03Å; C178-S181 PolarHBondContact SG-OG 3.28Å; C178-V182 WeakPolarHBondContact O-CG2 3.19Å; C178-V182 PolarHBondContact O-N 2.71Å
179P83Confident89Confident105 Ų10538.3 Ų38.368%0.68224%0.237SC*.THydrogen-bonded Turntrans-65.6-28.7-173.825.5-34.4000113.2S177S177-P179 VanDerWaalsContact O-CD 3.25Å; S177-P179 WeakPolarHBondContact O-CD 3.46Å
180S81.5Confident89Confident71 Ų7140.2 Ų40.250%0.49725%0.246SC..THydrogen-bonded Turntrans-93.8-29.3-177.852.90000113.5C178 T184C178-S180 VanDerWaalsContact C-N 3.26Å; C178-S180 PolarHBondContact O-N 2.95Å; C178-S180 PolarHBondContact SG-OG 3.23Å; C178-S180 VanDerWaalsContact SG-OG 3.37Å; S180-T184 PolarHBondContact O-OG1 3.19Å
181S79.4Confident89.1Confident32 Ų3244.5 Ų44.522%0.22427%0.27CS..THydrogen-bonded Turntrans-106.2-17.5-166.1-57.20000114.9C178 V183 T184 L185C178-S181 PolarHBondContact O-N 3.47Å; C178-S181 WeakPolarHBondContact SG-CB 3.49Å; C178-S181 PolarHBondContact SG-N 3.03Å; C178-S181 PolarHBondContact SG-OG 3.28Å; S181-V183 PolarHBondContact O-N 2.98Å; S181-T184 PolarHBondContact O-N 3.12Å; S181-L185 WeakPolarHBondContact O-CB 3.49Å; S181-L185 PolarHBondContact O-N 3.43Å
182V84.8Confident89.1Confident34 Ų3445.3 Ų45.321%0.20627%0.273CS..Hα-helixtrans-57.4-49.6-177.1168.80000111.6L171 C175 C178 K186L171-V182 HydrophobicContact CD1-CG1 4.47Å; C175-V182 VanDerWaalsContact O-CG2 3.25Å; C175-V182 WeakPolarHBondContact O-CG2 3.49Å; C178-V182 WeakPolarHBondContact O-CG2 3.19Å; C178-V182 PolarHBondContact O-N 2.71Å; V182-K186 VanDerWaalsContact O-CB 3.26Å; V182-K186 WeakPolarHBondContact O-CB 3.15Å; V182-K186 PolarHBondContact O-N 3.37Å
183V86.6Confident89.2Confident98 Ų9844.3 Ų44.359%0.59427%0.268SS*.Hα-helixtrans-67.5-43.5179178.90000111.2S181 K186 N187S181-V183 PolarHBondContact O-N 2.98Å; V183-K186 PolarHBondContact O-N 2.93Å; V183-N187 WeakPolarHBondContact O-CB 3.23Å; V183-N187 PolarHBondContact O-N 3.23Å; V183-N187 PolarHBondContact O-ND2 2.94Å
184T88.1Confident89.3Confident96 Ų9647.5 Ų47.559%0.58928%0.284SS*.Hα-helixtrans-63.8-44.8-179-52.80000111.6S180 S181 N187 G188S180-T184 PolarHBondContact O-OG1 3.19Å; S181-T184 PolarHBondContact O-N 3.12Å; T184-N187 PolarHBondContact O-N 2.86Å; T184-G188 PolarHBondContact O-N 3.03Å
185L88.6Confident89.4Confident36 Ų3654.9 Ų54.919%0.18832%0.315CS..Hα-helixtrans-64.7-48.2177.3179.862.3000110.4V150 I157 L171 C175 S181 N187 G188 V189V150-L185 HydrophobicContact CG2-CD1 3.78Å; V150-L185 HydrophobicContact CG2-CD2 4.26Å; I157-L185 HydrophobicContact CD1-CD1 4.43Å; I157-L185 HydrophobicContact CD1-CD2 4.13Å; I157-L185 HydrophobicContact CD1-CG 4.33Å; L171-L185 HydrophobicContact CD1-CD2 4.46Å; L171-L185 HydrophobicContact CD2-CD2 4.19Å; C175-L185 HydrophobicContact CB-CD2 3.96Å; S181-L185 WeakPolarHBondContact O-CB 3.49Å; S181-L185 PolarHBondContact O-N 3.43Å; L185-N187 VanDerWaalsContact C-N 3.32Å; L185-N187 PolarHBondContact O-N 2.98Å; L185-G188 PolarHBondContact O-N 3.49Å; L185-G188 VanDerWaalsContact O-N 3.15Å; L185-V189 HydrophobicContact CD1-CG2 4.07Å; L185-V189 HydrophobicContact CG-CG2 4.38Å; L185-V189 VanDerWaalsContact O-CG2 3.29Å; L185-V189 WeakPolarHBondContact O-CG2 3.39Å; L185-V189 PolarHBondContact O-N 3.21Å
186K90.5Very high89.6Confident77 Ų7758.7 Ų58.734%0.33533%0.329SS..Hα-helixtrans-54.8-48.4176.3-177-175.8-179.8-176.90111.4V182 V183 V189 Q190 V203V182-K186 VanDerWaalsContact O-CB 3.26Å; V182-K186 WeakPolarHBondContact O-CB 3.15Å; V182-K186 PolarHBondContact O-N 3.37Å; V183-K186 PolarHBondContact O-N 2.93Å; K186-V189 PolarHBondContact O-N 3.42Å; K186-Q190 VanDerWaalsContact O-CB 3.31Å; K186-Q190 WeakPolarHBondContact O-CB 3.12Å; K186-Q190 PolarHBondContact O-N 2.85Å; K186-V203 WeakPolarHBondContact CE-O 3.23Å; K186-V203 HydrophobicContact CG-CG1 4.46Å; K186-V203 PolarHBondContact NZ-O 2.88Å
187N92.1Very high90Very high75 Ų7557.6 Ų57.640%0.40132%0.321SS..Hα-helixtrans-65.2-41.1178.1-69.1-18.8000112V183 T184 L185 Q190 N191V183-N187 WeakPolarHBondContact O-CB 3.23Å; V183-N187 PolarHBondContact O-N 3.23Å; V183-N187 PolarHBondContact O-ND2 2.94Å; T184-N187 PolarHBondContact O-N 2.86Å; L185-N187 VanDerWaalsContact C-N 3.32Å; L185-N187 PolarHBondContact O-N 2.98Å; N187-Q190 PolarHBondContact O-N 2.98Å; N187-N191 WeakPolarHBondContact O-CB 3.36Å; N187-N191 PolarHBondContact O-N 2.93Å; N187-N191 PolarHBondContact O-ND2 3.21Å
188G92.4Very high90.3Very high38 Ų3860.5 Ų60.539%0.39234%0.339SS..Hα-helixtrans-62-46.4176.800000112.5T184 L185 N191 M192T184-G188 PolarHBondContact O-N 3.03Å; L185-G188 PolarHBondContact O-N 3.49Å; L185-G188 VanDerWaalsContact O-N 3.15Å; G188-N191 PolarHBondContact O-N 3.31Å; G188-M192 WeakPolarHBondContact O-CB 3.2Å; G188-M192 PolarHBondContact O-N 3.22Å
189V93.7Very high90.6Very high2 Ų264.9 Ų64.91%0.01236%0.362CS..Hα-helixtrans-63.3-46.3176176.10000110.6L142 I146 I157 L169 L185 K186 N191 M192 L193 V203L142-V189 HydrophobicContact CD2-CG1 4.12Å; I146-V189 HydrophobicContact CD1-CG2 4.08Å; I146-V189 HydrophobicContact CG1-CG2 4.3Å; I146-V189 HydrophobicContact CG2-CG2 3.68Å; I157-V189 HydrophobicContact CD1-CG2 4Å; L169-V189 HydrophobicContact CD1-CG1 3.63Å; L185-V189 HydrophobicContact CD1-CG2 4.07Å; L185-V189 HydrophobicContact CG-CG2 4.38Å; L185-V189 VanDerWaalsContact O-CG2 3.29Å; L185-V189 WeakPolarHBondContact O-CG2 3.39Å; L185-V189 PolarHBondContact O-N 3.21Å; K186-V189 PolarHBondContact O-N 3.42Å; V189-N191 PolarHBondContact O-N 3.05Å; V189-M192 PolarHBondContact O-N 2.88Å; V189-L193 HydrophobicContact CG1-CD1 3.75Å; V189-L193 HydrophobicContact CG1-CG 4.25Å; V189-L193 WeakPolarHBondContact O-CB 3.36Å; V189-L193 WeakPolarHBondContact O-CG 3.46Å; V189-L193 PolarHBondContact O-N 2.73Å; V189-V203 HydrophobicContact CG1-CG2 4.43Å
190Q95.2Very high91.3Very high45 Ų4560.1 Ų60.121%0.2133%0.331CS..Hα-helixtrans-58.4-50.3177.3-175.9177-66.700111.8K186 N187 M192 L193 Q194 V203K186-Q190 VanDerWaalsContact O-CB 3.31Å; K186-Q190 WeakPolarHBondContact O-CB 3.12Å; K186-Q190 PolarHBondContact O-N 2.85Å; N187-Q190 PolarHBondContact O-N 2.98Å; Q190-M192 VanDerWaalsContact C-N 3.28Å; Q190-M192 PolarHBondContact O-N 3.1Å; Q190-L193 PolarHBondContact O-N 3.13Å; Q190-Q194 HydrophobicContact CG-CG 4.2Å; Q190-Q194 WeakPolarHBondContact O-CB 3.36Å; Q190-Q194 VanDerWaalsContact O-CG 3.23Å; Q190-Q194 WeakPolarHBondContact O-CG 3.4Å; Q190-Q194 PolarHBondContact O-N 3.19Å; Q190-V203 HydrophobicContact CB-CB 4.06Å; Q190-V203 HydrophobicContact CB-CG2 3.71Å; Q190-V203 HydrophobicContact CG-CB 4.46Å; Q190-V203 HydrophobicContact CG-CG2 4.09Å; Q190-V203 VanDerWaalsContact OE1-N 3.15Å
191N94.5Very high91.9Very high102 Ų10262.6 Ų62.655%0.54534%0.339SS..Hα-helixtrans-60.4-39.9-180-70.7-19.8000111.7N187 G188 V189 F195N187-N191 WeakPolarHBondContact O-CB 3.36Å; N187-N191 PolarHBondContact O-N 2.93Å; N187-N191 PolarHBondContact O-ND2 3.21Å; G188-N191 PolarHBondContact O-N 3.31Å; V189-N191 PolarHBondContact O-N 3.05Å; N191-F195 WeakPolarHBondContact O-CB 3.36Å; N191-F195 PolarHBondContact O-N 3.45Å; N191-F195 VanDerWaalsContact O-N 3.1Å
192M93.6Very high92.7Very high32 Ų3261.4 Ų61.416%0.15833%0.331CS..Hα-helixtrans-67.2-46.7178.3-164.5-167.376.700111.5L141 R145 I146 G188 V189 Q190 F195 Y196L141-M192 HydrophobicContact CB-CE 3.95Å; R145-M192 HydrophobicContact CB-CE 4.09Å; R145-M192 HydrophobicContact CB-SD 3.74Å; R145-M192 HydrophobicContact CG-SD 4.49Å; I146-M192 HydrophobicContact CD1-CB 4.49Å; I146-M192 HydrophobicContact CD1-CE 3.52Å; I146-M192 HydrophobicContact CD1-SD 3.47Å; I146-M192 WeakPolarHBondContact CD1-SD 3.25Å; I146-M192 HydrophobicContact CG1-CE 3.38Å; I146-M192 HydrophobicContact CG1-SD 4.02Å; G188-M192 WeakPolarHBondContact O-CB 3.2Å; G188-M192 PolarHBondContact O-N 3.22Å; V189-M192 PolarHBondContact O-N 2.88Å; Q190-M192 VanDerWaalsContact C-N 3.28Å; Q190-M192 PolarHBondContact O-N 3.1Å; M192-F195 PolarHBondContact O-N 3Å; M192-Y196 HydrophobicContact CG-CD2 4.07Å; M192-Y196 HydrophobicContact CG-CE2 4.1Å; M192-Y196 WeakPolarHBondContact O-CD2 3.37Å; M192-Y196 PolarHBondContact O-N 2.79Å
193L95.6Very high93.2Very high0 Ų060 Ų600%032%0.323CS..Hα-helixtrans-63.6-46.2179.4-70.2174.7000111I138 L141 V167 V189 Q190 F195 Y196 I197 V200 V203I138-L193 HydrophobicContact CG2-CD2 4.29Å; L141-L193 HydrophobicContact CB-CD2 4.28Å; L141-L193 HydrophobicContact CD1-CD2 4.21Å; V167-L193 HydrophobicContact CB-CD1 4.38Å; V167-L193 HydrophobicContact CG1-CD1 4.24Å; V167-L193 HydrophobicContact CG2-CD1 4.21Å; V189-L193 HydrophobicContact CG1-CD1 3.75Å; V189-L193 HydrophobicContact CG1-CG 4.25Å; V189-L193 WeakPolarHBondContact O-CB 3.36Å; V189-L193 WeakPolarHBondContact O-CG 3.46Å; V189-L193 PolarHBondContact O-N 2.73Å; Q190-L193 PolarHBondContact O-N 3.13Å; L193-F195 VanDerWaalsContact C-N 3.26Å; L193-F195 PolarHBondContact O-N 3.28Å; L193-Y196 PolarHBondContact O-N 2.97Å; L193-I197 HydrophobicContact CD2-CD1 4.36Å; L193-I197 WeakPolarHBondContact O-CA 3.36Å; L193-I197 VanDerWaalsContact O-CB 3.27Å; L193-I197 WeakPolarHBondContact O-CB 3.35Å; L193-I197 PolarHBondContact O-N 2.81Å; L193-V200 HydrophobicContact CB-CB 4.44Å; L193-V200 HydrophobicContact CB-CG1 4.05Å; L193-V200 HydrophobicContact CB-CG2 4.35Å; L193-V203 HydrophobicContact CD1-CG2 3.91Å
194Q94.9Very high93.5Very high68 Ų6860 Ų6032%0.31832%0.316SS..Hα-helixtrans-59.7-34.6176.7-73.1-178.4-12.800113.1Q190 V200 L201Q190-Q194 HydrophobicContact CG-CG 4.2Å; Q190-Q194 WeakPolarHBondContact O-CB 3.36Å; Q190-Q194 VanDerWaalsContact O-CG 3.23Å; Q190-Q194 WeakPolarHBondContact O-CG 3.4Å; Q190-Q194 PolarHBondContact O-N 3.19Å; Q194-V200 HydrophobicContact CG-CB 4.47Å; Q194-V200 HydrophobicContact CG-CG1 4.11Å; Q194-V200 WeakPolarHBondContact CG-O 3.44Å; Q194-L201 PolarHBondContact NE2-O 3.33Å
195F94.7Very high93.7Very high157 Ų15758.6 Ų58.669%0.68930%0.303SS*.Hα-helixtrans-68.6-41.2179.2179.3-92.6000112.5N191 M192 L193N191-F195 WeakPolarHBondContact O-CB 3.36Å; N191-F195 PolarHBondContact O-N 3.45Å; N191-F195 VanDerWaalsContact O-N 3.1Å; M192-F195 PolarHBondContact O-N 3Å; L193-F195 VanDerWaalsContact C-N 3.26Å; L193-F195 PolarHBondContact O-N 3.28Å
196Y93.8Very high93.9Very high90 Ų9058.7 Ų58.735%0.35331%0.305SS..Hα-helixtrans-91.4-23.7-177.9-73.2-70.3000113.4L141 R145 M192 L193L141-Y196 VanDerWaalsContact CD1-CB 3.41Å; L141-Y196 HydrophobicContact CD1-CD2 4.23Å; L141-Y196 HydrophobicContact CD1-CG 4.03Å; L141-Y196 HydrophobicContact CD2-CD2 4.12Å; L141-Y196 HydrophobicContact CD2-CG 4.13Å; R145-Y196 VanDerWaalsContact NH1-CE2 3.26Å; R145-Y196 PolarHBondContact NH1-OH 2.73Å; M192-Y196 HydrophobicContact CG-CD2 4.07Å; M192-Y196 HydrophobicContact CG-CE2 4.1Å; M192-Y196 WeakPolarHBondContact O-CD2 3.37Å; M192-Y196 PolarHBondContact O-N 2.79Å; L193-Y196 PolarHBondContact O-N 2.97Å
197I94.1Very high93.7Very high0 Ų061 Ų610%032%0.317CS..  trans-130.893.7-171.8-47.4-171.2000108.6T134 M137 I138 L141 L193 D199 V200T134-I197 HydrophobicContact CG2-CG2 3.68Å; M137-I197 HydrophobicContact CB-CD1 4.08Å; M137-I197 HydrophobicContact CE-CB 3.96Å; M137-I197 HydrophobicContact CE-CD1 3.84Å; M137-I197 HydrophobicContact CE-CG1 3.53Å; M137-I197 HydrophobicContact CE-CG2 3.62Å; M137-I197 HydrophobicContact CG-CD1 3.73Å; M137-I197 HydrophobicContact CG-CG1 3.99Å; M137-I197 HydrophobicContact SD-CD1 4.27Å; M137-I197 HydrophobicContact SD-CG1 3.9Å; I138-I197 HydrophobicContact CB-CD1 4.15Å; I138-I197 HydrophobicContact CG1-CD1 3.4Å; L141-I197 HydrophobicContact CD1-CD1 3.71Å; L141-I197 HydrophobicContact CD1-CG1 3.77Å; L193-I197 HydrophobicContact CD2-CD1 4.36Å; L193-I197 WeakPolarHBondContact O-CA 3.36Å; L193-I197 VanDerWaalsContact O-CB 3.27Å; L193-I197 WeakPolarHBondContact O-CB 3.35Å; L193-I197 PolarHBondContact O-N 2.81Å; I197-D199 HydrophobicContact CG2-CB 4.33Å; I197-D199 PolarHBondContact O-N 2.94Å; I197-D199 VanDerWaalsContact O-N 3.1Å; I197-V200 HydrophobicContact CB-CG2 3.9Å; I197-V200 HydrophobicContact CG2-CG2 3.73Å; I197-V200 PolarHBondContact O-N 2.64Å
198P92.8Very high93.1Very high109 Ų10959.8 Ų59.871%0.70831%0.31SS*.THydrogen-bonded Turntrans-58.5-23.7-178-26.535.5000114.8V200P198-V200 VanDerWaalsContact C-N 3.26Å; P198-V200 PolarHBondContact O-N 3.34Å
199D93.9Very high92.2Very high95 Ų9566 Ų6651%0.50833%0.329SS..THydrogen-bonded Turntrans-73.3-17.8179.2-62-25000113.1T134 F162 G165 I197 L201T134-D199 HydrophobicContact CG2-CB 4.2Å; T134-D199 PolarHBondContact OG1-OD2 2.89Å; F162-D199 HydrophobicContact CZ-CB 4.2Å; G165-D199 VanDerWaalsContact CA-O 3.26Å; G165-D199 WeakPolarHBondContact CA-O 3.23Å; I197-D199 HydrophobicContact CG2-CB 4.33Å; I197-D199 PolarHBondContact O-N 2.94Å; I197-D199 VanDerWaalsContact O-N 3.1Å; D199-L201 PolarHBondContact O-N 3.12Å
200V95.8Very high91.2Very high5 Ų572.1 Ų72.13%0.0336%0.361CS..  trans-76.6117.6176.51760000108.6I138 F162 G165 V167 L193 Q194 I197 P198I138-V200 HydrophobicContact CD1-CG2 4.26Å; I138-V200 HydrophobicContact CG1-CG2 4.37Å; F162-V200 HydrophobicContact CE2-CG2 4.02Å; F162-V200 HydrophobicContact CZ-CG2 4.43Å; G165-V200 CarbonylContact O-C 3.56Å; V167-V200 HydrophobicContact CG2-CB 4.5Å; V167-V200 HydrophobicContact CG2-CG1 3.93Å; V167-V200 HydrophobicContact CG2-CG2 3.75Å; L193-V200 HydrophobicContact CB-CB 4.44Å; L193-V200 HydrophobicContact CB-CG1 4.05Å; L193-V200 HydrophobicContact CB-CG2 4.35Å; Q194-V200 HydrophobicContact CG-CB 4.47Å; Q194-V200 HydrophobicContact CG-CG1 4.11Å; Q194-V200 WeakPolarHBondContact CG-O 3.44Å; I197-V200 HydrophobicContact CB-CG2 3.9Å; I197-V200 HydrophobicContact CG2-CG2 3.73Å; I197-V200 PolarHBondContact O-N 2.64Å; P198-V200 VanDerWaalsContact C-N 3.26Å; P198-V200 PolarHBondContact O-N 3.34Å
201L95.5Very high90.2Very high124 Ų12470.8 Ų70.865%0.64936%0.355SS*.  trans-96.2-25.6174.3-60-179.6000112.1G165 I166 Q194 D199G165-L201 PolarHBondContact O-N 3.29Å; I166-L201 HydrophobicContact CD1-CB 4.42Å; Q194-L201 PolarHBondContact NE2-O 3.33Å; D199-L201 PolarHBondContact O-N 3.12Å
202G94.9Very high89.1Confident6 Ų667.6 Ų67.66%0.06234%0.343CS..EExtended strand (participates in β ladder)trans-170.9169.6-179.300000114.2G165 I166 V167G165-G202 PolarHBondContact O-N 3.45Å; I166-G202 WeakPolarHBondContact CA-O 3.28Å; V167-G202 PolarHBondContact N-O 3.43Å
203V95.5Very high88.2Confident6 Ų669.4 Ų69.44%0.03636%0.356CS..EExtended strand (participates in β ladder)trans-122138.1174.3175.80000109.1V167 L169 K186 V189 Q190 L193V167-V203 HydrophobicContact CB-CG2 4.3Å; V167-V203 CarbonylContact O-C 3.52Å; V167-V203 WeakPolarHBondContact O-CA 3.38Å; L169-V203 HydrophobicContact CD1-CG1 3.58Å; L169-V203 HydrophobicContact CG-CG1 4.08Å; K186-V203 WeakPolarHBondContact CE-O 3.23Å; K186-V203 HydrophobicContact CG-CG1 4.46Å; K186-V203 PolarHBondContact NZ-O 2.88Å; V189-V203 HydrophobicContact CG1-CG2 4.43Å; Q190-V203 HydrophobicContact CB-CB 4.06Å; Q190-V203 HydrophobicContact CB-CG2 3.71Å; Q190-V203 HydrophobicContact CG-CB 4.46Å; Q190-V203 HydrophobicContact CG-CG2 4.09Å; Q190-V203 VanDerWaalsContact OE1-N 3.15Å; L193-V203 HydrophobicContact CD1-CG2 3.91Å
204E94Very high87.2Confident96 Ų9670.5 Ų70.545%0.44936%0.363SS..EExtended strand (participates in β ladder)trans-124.7138.5174.3-73-175.9172.500110.9I166 V167 R168 L169I166-E204 HydrophobicContact CG2-CB 4.05Å; I166-E204 HydrophobicContact CG2-CG 3.66Å; V167-E204 PolarHBondContact O-N 3.38Å; R168-E204 WeakPolarHBondContact CA-O 3.34Å; R168-E204 HydrophobicContact CG-CB 4.26Å; L169-E204 PolarHBondContact N-O 3.41Å
205Q92.7Very high86.2Confident68 Ų6873.2 Ų73.232%0.31837%0.374SS..EExtended strand (participates in β ladder)trans-85.3131.9171.2177.1177.9-11.500108.6L169 L171L169-Q205 CarbonylContact O-C 3.55Å; L169-Q205 VanDerWaalsContact O-CA 3.29Å; L169-Q205 WeakPolarHBondContact O-CA 3.43Å; L171-Q205 HydrophobicContact CD1-CG 4.43Å; L171-Q205 HydrophobicContact CG-CG 4.22Å
206V91.8Very high85.2Confident37 Ų3770.8 Ų70.822%0.22437%0.365CS..  trans-124149.7174.3-63.80000110.8K160 R168 L169 K170K160-V206 HydrophobicContact CB-CG2 4.05Å; K160-V206 HydrophobicContact CG-CG2 3.62Å; R168-V206 HydrophobicContact CB-CG1 4.02Å; R168-V206 HydrophobicContact CB-CG2 4.2Å; R168-V206 HydrophobicContact CG-CG1 3.97Å; L169-V206 PolarHBondContact O-N 3.33Å; K170-V206 WeakPolarHBondContact CA-O 3.32Å
207E86Confident84.4Confident126 Ų12672.6 Ų72.659%0.58938%0.376SS*.  trans-104.6151.1171.5-63.6-175.9173.400109.2
208D79.9Confident83.6Confident49 Ų4977.9 Ų77.926%0.26240%0.4SS..  trans-74.8141.5173.9-77.9-37.2000109.8K160 K170 L210 D211 A212K160-D208 WeakPolarHBondContact CE-OD1 3.37Å; K160-D208 IonicContact NZ-OD1 3.15Å; K160-D208 PolarHBondContact NZ-OD1 2.75Å; K160-D208 IonicContact NZ-OD2 3.7Å; K160-D208 PolarHBondContact NZ-OD2 2.84Å; K170-D208 WeakPolarHBondContact CD-OD2 3.37Å; K170-D208 WeakPolarHBondContact CE-OD2 3.45Å; K170-D208 IonicContact NZ-OD2 3.41Å; K170-D208 PolarHBondContact NZ-OD2 3.13Å; D208-L210 PolarHBondContact O-N 3Å; D208-L210 VanDerWaalsContact O-N 3.12Å; D208-D211 WeakPolarHBondContact O-CA 3.2Å; D208-D211 WeakPolarHBondContact O-CB 3.45Å; D208-D211 PolarHBondContact O-N 3.44Å; D208-A212 PolarHBondContact O-N 2.92Å; D208-A212 VanDerWaalsContact O-N 3.12Å
209E73.9Confident82.9Confident170 Ų17075.6 Ų75.679%0.79438%0.382SS*.Hα-helixtrans-53.8-36.1178.9-65.5-178.2173.200112.1D211 A212 V213E209-D211 VanDerWaalsContact C-N 3.32Å; E209-D211 PolarHBondContact O-N 3.19Å; E209-A212 PolarHBondContact O-N 2.81Å; E209-V213 WeakPolarHBondContact O-CB 3.18Å; E209-V213 VanDerWaalsContact O-CG2 3.27Å; E209-V213 WeakPolarHBondContact O-CG2 3.26Å; E209-V213 PolarHBondContact O-N 3.4Å
210L72.2Confident82.2Confident129 Ų12976.8 Ų76.868%0.67538%0.382SS*.Hα-helixtrans-63.5-36.3176.1-66.4175.1000112.7D208 S214D208-L210 PolarHBondContact O-N 3Å; D208-L210 VanDerWaalsContact O-N 3.12Å; L210-S214 VanDerWaalsContact O-CB 3.29Å; L210-S214 WeakPolarHBondContact O-CB 3.47Å; L210-S214 PolarHBondContact O-N 2.79Å; L210-S214 PolarHBondContact O-OG 3.04Å
211D74Confident81.4Confident18 Ų1881.2 Ų81.210%0.09641%0.405CS..Hα-helixtrans-70.6-44.7178.4-60.9-17.5000110Q59 K170 D208 E209 S214 K215Q59-D211 PolarHBondContact NE2-OD1 3.41Å; Q59-D211 PolarHBondContact OE1-OD1 2.73Å; Q59-D211 VanDerWaalsContact OE1-OD1 3.12Å; K170-D211 WeakPolarHBondContact CE-OD2 3.41Å; K170-D211 IonicContact NZ-OD1 2.79Å; K170-D211 IonicContact NZ-OD2 3.54Å; K170-D211 PolarHBondContact NZ-OD2 2.86Å; D208-D211 WeakPolarHBondContact O-CA 3.2Å; D208-D211 WeakPolarHBondContact O-CB 3.45Å; D208-D211 PolarHBondContact O-N 3.44Å; E209-D211 VanDerWaalsContact C-N 3.32Å; E209-D211 PolarHBondContact O-N 3.19Å; D211-S214 PolarHBondContact O-N 2.95Å; D211-K215 WeakPolarHBondContact O-CB 3.26Å; D211-K215 PolarHBondContact O-N 3.46Å
212A72.7Confident80.5Confident34 Ų3479.3 Ų79.328%0.28139%0.393SS..Hα-helixtrans-61.5-4817800000111.5D208 E209 S214 K215 E216D208-A212 PolarHBondContact O-N 2.92Å; D208-A212 VanDerWaalsContact O-N 3.12Å; E209-A212 PolarHBondContact O-N 2.81Å; A212-S214 VanDerWaalsContact C-N 3.35Å; A212-S214 PolarHBondContact O-N 2.9Å; A212-K215 PolarHBondContact O-N 3.47Å; A212-E216 WeakPolarHBondContact O-CG 3.31Å; A212-E216 PolarHBondContact O-N 3.41Å
213V74.1Confident79.6Confident71 Ų7185.4 Ų85.443%0.4342%0.418SS..Hα-helixtrans-63.6-41177.6173.80000111.2E209 K215 E216 Q217E209-V213 WeakPolarHBondContact O-CB 3.18Å; E209-V213 VanDerWaalsContact O-CG2 3.27Å; E209-V213 WeakPolarHBondContact O-CG2 3.26Å; E209-V213 PolarHBondContact O-N 3.4Å; V213-K215 VanDerWaalsContact C-N 3.34Å; V213-K215 PolarHBondContact O-N 2.97Å; V213-E216 PolarHBondContact O-N 2.86Å; V213-Q217 HydrophobicContact CG1-CG 4.29Å; V213-Q217 WeakPolarHBondContact O-CB 3.43Å; V213-Q217 VanDerWaalsContact O-CG 3.26Å; V213-Q217 WeakPolarHBondContact O-CG 3.23Å; V213-Q217 PolarHBondContact O-N 3.25Å
214S74.1Confident78.8Confident23 Ų2389.5 Ų89.516%0.16144%0.439CS..Hα-helixtrans-62.2-43.1177.9-61.80000111.5L210 D211 A212 Q217 F218L210-S214 VanDerWaalsContact O-CB 3.29Å; L210-S214 WeakPolarHBondContact O-CB 3.47Å; L210-S214 PolarHBondContact O-N 2.79Å; L210-S214 PolarHBondContact O-OG 3.04Å; D211-S214 PolarHBondContact O-N 2.95Å; A212-S214 VanDerWaalsContact C-N 3.35Å; A212-S214 PolarHBondContact O-N 2.9Å; S214-Q217 PolarHBondContact O-N 3.45Å; S214-F218 WeakPolarHBondContact O-CB 3.47Å; S214-F218 PolarHBondContact O-N 3.14Å
215K73.3Confident78.2Confident124 Ų12488.5 Ų88.554%0.53944%0.436SS..Hα-helixtrans-64.5-46.8176.6-173.8175.3-179.8176.60111.5D211 A212 V213 Q217 F218 D219D211-K215 WeakPolarHBondContact O-CB 3.26Å; D211-K215 PolarHBondContact O-N 3.46Å; A212-K215 PolarHBondContact O-N 3.47Å; V213-K215 VanDerWaalsContact C-N 3.34Å; V213-K215 PolarHBondContact O-N 2.97Å; K215-Q217 VanDerWaalsContact C-N 3.32Å; K215-Q217 PolarHBondContact O-N 3.04Å; K215-F218 WeakPolarHBondContact O-CB 3.3Å; K215-F218 PolarHBondContact O-N 3.4Å; K215-D219 VanDerWaalsContact O-CG 3.24Å; K215-D219 PolarHBondContact O-N 3.24Å
216E73.8Confident77.2Confident107 Ų10790 Ų9050%0.544%0.443SS..Hα-helixtrans-60.7-40176.6-76.2-172.9-168.700113.1A212 V213 F218 K220A212-E216 WeakPolarHBondContact O-CG 3.31Å; A212-E216 PolarHBondContact O-N 3.41Å; V213-E216 PolarHBondContact O-N 2.86Å; E216-F218 VanDerWaalsContact C-N 3.33Å; E216-K220 WeakPolarHBondContact O-CB 3.29Å; E216-K220 WeakPolarHBondContact O-CD 3.4Å; E216-K220 WeakPolarHBondContact O-CG 3.41Å; E216-K220 PolarHBondContact O-N 3.49Å; E216-K220 IonicContact OE2-NZ 2.64Å
217Q77.7Confident76.4Confident127 Ų12793 Ų9359%0.59346%0.458SS*.Hα-helixtrans-65.9-39.3177.1-76178.7-24.500111.4V213 S214 K215 L221V213-Q217 HydrophobicContact CG1-CG 4.29Å; V213-Q217 WeakPolarHBondContact O-CB 3.43Å; V213-Q217 VanDerWaalsContact O-CG 3.26Å; V213-Q217 WeakPolarHBondContact O-CG 3.23Å; V213-Q217 PolarHBondContact O-N 3.25Å; S214-Q217 PolarHBondContact O-N 3.45Å; K215-Q217 VanDerWaalsContact C-N 3.32Å; K215-Q217 PolarHBondContact O-N 3.04Å; Q217-L221 WeakPolarHBondContact O-CB 3.38Å; Q217-L221 PolarHBondContact O-N 3.06Å; Q217-L221 VanDerWaalsContact O-N 3.09Å
218F77.4Confident75.8Confident112 Ų11293.1 Ų93.149%0.49146%0.458SS..Hα-helixtrans-65.8-50.8176.1-174.2-99.5000111.6S214 K215 E216 K220 L221 E222S214-F218 WeakPolarHBondContact O-CB 3.47Å; S214-F218 PolarHBondContact O-N 3.14Å; K215-F218 WeakPolarHBondContact O-CB 3.3Å; K215-F218 PolarHBondContact O-N 3.4Å; E216-F218 VanDerWaalsContact C-N 3.33Å; F218-K220 VanDerWaalsContact C-N 3.25Å; F218-K220 PolarHBondContact O-N 2.7Å; F218-L221 WeakPolarHBondContact O-CB 3.33Å; F218-L221 PolarHBondContact O-N 3.08Å; F218-E222 HydrophobicContact CD1-CG 4.29Å; F218-E222 HydrophobicContact CE1-CG 3.89Å; F218-E222 WeakPolarHBondContact CE1-OE1 3.26Å; F218-E222 HydrophobicContact CZ-CG 4.02Å; F218-E222 WeakPolarHBondContact CZ-OE1 3.47Å; F218-E222 PolarHBondContact O-N 2.87Å
219D78.9Confident75.3Confident61 Ų6196.7 Ų96.733%0.32647%0.474SS..Hα-helixtrans-59.9-35.2178.6-65.3-8000112.2K215 K223K215-D219 VanDerWaalsContact O-CG 3.24Å; K215-D219 PolarHBondContact O-N 3.24Å; D219-K223 WeakPolarHBondContact O-CB 3.44Å; D219-K223 WeakPolarHBondContact O-CD 3.09Å; D219-K223 VanDerWaalsContact O-CG 3.23Å; D219-K223 WeakPolarHBondContact O-CG 2.99Å; D219-K223 PolarHBondContact O-N 2.96Å
220K78.1Confident75Confident120 Ų12096.9 Ų96.952%0.52247%0.472SS..Hα-helixtrans-67.9-40.3174.2-77.7169.3-174.61610111.6E216 F218 N224E216-K220 WeakPolarHBondContact O-CB 3.29Å; E216-K220 WeakPolarHBondContact O-CD 3.4Å; E216-K220 WeakPolarHBondContact O-CG 3.41Å; E216-K220 PolarHBondContact O-N 3.49Å; E216-K220 IonicContact OE2-NZ 2.64Å; F218-K220 VanDerWaalsContact C-N 3.25Å; F218-K220 PolarHBondContact O-N 2.7Å; K220-N224 PolarHBondContact O-N 3.24Å; K220-N224 VanDerWaalsContact O-N 3.12Å; K220-N224 PolarHBondContact O-ND2 3.02Å; K220-N224 PolarHBondContact O-OD1 2.98Å
221L78.6Confident74.5Confident98 Ų9895.2 Ų95.251%0.51347%0.471SS..Hα-helixtrans-67.8-45.7179.4-178.262.7000111.4Q217 F218 K223 N224 I225Q217-L221 WeakPolarHBondContact O-CB 3.38Å; Q217-L221 PolarHBondContact O-N 3.06Å; Q217-L221 VanDerWaalsContact O-N 3.09Å; F218-L221 WeakPolarHBondContact O-CB 3.33Å; F218-L221 PolarHBondContact O-N 3.08Å; L221-K223 VanDerWaalsContact C-N 3.33Å; L221-K223 PolarHBondContact O-N 3.41Å; L221-N224 PolarHBondContact O-N 3.08Å; L221-I225 HydrophobicContact CD1-CD1 4.23Å; L221-I225 HydrophobicContact CD1-CG1 4.48Å; L221-I225 HydrophobicContact CG-CD1 4Å; L221-I225 WeakPolarHBondContact O-CG1 3.04Å; L221-I225 PolarHBondContact O-N 2.95Å
222E76.2Confident73.5Confident84 Ų84105.4 Ų105.439%0.39352%0.518SS..Hα-helixtrans-60-42.8176.9-72-168.4148.900112F218 N224 I225 H226F218-E222 HydrophobicContact CD1-CG 4.29Å; F218-E222 HydrophobicContact CE1-CG 3.89Å; F218-E222 WeakPolarHBondContact CE1-OE1 3.26Å; F218-E222 HydrophobicContact CZ-CG 4.02Å; F218-E222 WeakPolarHBondContact CZ-OE1 3.47Å; F218-E222 PolarHBondContact O-N 2.87Å; E222-N224 VanDerWaalsContact C-N 3.34Å; E222-N224 PolarHBondContact O-N 2.9Å; E222-I225 PolarHBondContact O-N 3.44Å; E222-H226 WeakPolarHBondContact O-CB 3.4Å; E222-H226 PolarHBondContact O-CD2 3.15Å; E222-H226 PolarHBondContact O-N 3.32Å
223K76.2Confident73.5Confident133 Ų133109 Ų10958%0.57853%0.53SS*.Hα-helixtrans-60.1-44.3175.2-74.8172.7-171.8173.60112.1D219 L221 I225 H226 D227D219-K223 WeakPolarHBondContact O-CB 3.44Å; D219-K223 WeakPolarHBondContact O-CD 3.09Å; D219-K223 VanDerWaalsContact O-CG 3.23Å; D219-K223 WeakPolarHBondContact O-CG 2.99Å; D219-K223 PolarHBondContact O-N 2.96Å; L221-K223 VanDerWaalsContact C-N 3.33Å; L221-K223 PolarHBondContact O-N 3.41Å; K223-I225 PolarHBondContact O-N 3.41Å; K223-H226 PolarHBondContact O-N 2.95Å; K223-D227 WeakPolarHBondContact O-CB 3.33Å; K223-D227 VanDerWaalsContact O-CG 3.24Å; K223-D227 PolarHBondContact O-N 2.98Å
224N80.1Confident73.5Confident92 Ų92110.9 Ų110.949%0.49254%0.535SS..Hα-helixtrans-63.4-42178.6-67-15.2000111.8K220 L221 E222 D227 E228K220-N224 PolarHBondContact O-N 3.24Å; K220-N224 VanDerWaalsContact O-N 3.12Å; K220-N224 PolarHBondContact O-ND2 3.02Å; K220-N224 PolarHBondContact O-OD1 2.98Å; L221-N224 PolarHBondContact O-N 3.08Å; E222-N224 VanDerWaalsContact C-N 3.34Å; E222-N224 PolarHBondContact O-N 2.9Å; N224-D227 PolarHBondContact O-N 3.2Å; N224-E228 WeakPolarHBondContact O-CB 3.08Å; N224-E228 WeakPolarHBondContact O-CG 3.43Å; N224-E228 PolarHBondContact O-N 3.47Å
225I80.5Confident73.5Confident75 Ų75115.8 Ų115.839%0.38556%0.556SS.*Hα-helixtrans-64.2-44.9177.7-66.1167.4000110.4L221 E222 K223 D227 E228 E229L221-I225 HydrophobicContact CD1-CD1 4.23Å; L221-I225 HydrophobicContact CD1-CG1 4.48Å; L221-I225 HydrophobicContact CG-CD1 4Å; L221-I225 WeakPolarHBondContact O-CG1 3.04Å; L221-I225 PolarHBondContact O-N 2.95Å; E222-I225 PolarHBondContact O-N 3.44Å; K223-I225 PolarHBondContact O-N 3.41Å; I225-D227 VanDerWaalsContact C-N 3.32Å; I225-D227 PolarHBondContact O-N 2.84Å; I225-E228 PolarHBondContact O-N 2.76Å; I225-E229 WeakPolarHBondContact O-CG 3.36Å; I225-E229 PolarHBondContact O-N 2.84Å
226H72.3Confident73.5Confident99 Ų99115.4 Ų115.446%0.45856%0.557SS.*Hα-helixtrans-67.2-30.3177.3-74.5-46.9000114E222 K223 E229 K230E222-H226 WeakPolarHBondContact O-CB 3.4Å; E222-H226 PolarHBondContact O-CD2 3.15Å; E222-H226 PolarHBondContact O-N 3.32Å; K223-H226 PolarHBondContact O-N 2.95Å; H226-E229 IonicContact ND1-OE2 3.61Å; H226-K230 WeakPolarHBondContact O-CG 3.28Å; H226-K230 PolarHBondContact O-N 2.93Å
227D75.3Confident73.5Confident100 Ų100115.9 Ų115.954%0.53556%0.561SS.*Hα-helixtrans-74.4-36.9174.6-73.5-18.7000111.2K223 N224 I225 K230 S231K223-D227 WeakPolarHBondContact O-CB 3.33Å; K223-D227 VanDerWaalsContact O-CG 3.24Å; K223-D227 PolarHBondContact O-N 2.98Å; N224-D227 PolarHBondContact O-N 3.2Å; I225-D227 VanDerWaalsContact C-N 3.32Å; I225-D227 PolarHBondContact O-N 2.84Å; D227-K230 PolarHBondContact O-N 2.93Å; D227-S231 WeakPolarHBondContact O-CB 3.47Å; D227-S231 PolarHBondContact O-N 3.03Å; D227-S231 PolarHBondContact O-OG 3.02Å
228E72.1Confident73.2Confident129 Ų129115.1 Ų115.160%0.60356%0.558SS**Hα-helixtrans-62.7-48.3172.4-76.4177.5-178.800111N224 I225 K230 S231 E232N224-E228 WeakPolarHBondContact O-CB 3.08Å; N224-E228 WeakPolarHBondContact O-CG 3.43Å; N224-E228 PolarHBondContact O-N 3.47Å; I225-E228 PolarHBondContact O-N 2.76Å; E228-K230 VanDerWaalsContact C-N 3.26Å; E228-K230 PolarHBondContact O-N 2.82Å; E228-S231 PolarHBondContact O-N 2.95Å; E228-S231 PolarHBondContact O-OG 3.21Å; E228-E232 PolarHBondContact O-N 2.91Å
229E70.8Confident72.9Confident124 Ų124115.4 Ų115.458%0.57956%0.563SS**Hα-helixtrans-63.3-26.8177.7-72.8178.7163.300113.9I225 H226I225-E229 WeakPolarHBondContact O-CG 3.36Å; I225-E229 PolarHBondContact O-N 2.84Å; H226-E229 IonicContact ND1-OE2 3.61Å
230K66.1Low72.4Confident174 Ų174119.5 Ų119.576%0.75758%0.581SS**Hα-helixtrans-84-13.3174.7-76.8177.3-175.8170.10113.6H226 D227 E228H226-K230 WeakPolarHBondContact O-CG 3.28Å; H226-K230 PolarHBondContact O-N 2.93Å; D227-K230 PolarHBondContact O-N 2.93Å; E228-K230 VanDerWaalsContact C-N 3.26Å; E228-K230 PolarHBondContact O-N 2.82Å
231S62.2Low72Confident95 Ų95119.5 Ų119.566%0.66459%0.586SS**Hα-helixtrans-94.4-7.1-179.971.20000113.8D227 E228D227-S231 WeakPolarHBondContact O-CB 3.47Å; D227-S231 PolarHBondContact O-N 3.03Å; D227-S231 PolarHBondContact O-OG 3.02Å; E228-S231 PolarHBondContact O-N 2.95Å; E228-S231 PolarHBondContact O-OG 3.21Å
232E53.1Low71.4Confident231 Ų231121.5 Ų121.5100%1.07959%0.593SS**  trans-97.30170.8-64.1-170.1161.800112.6E228E228-E232 PolarHBondContact O-N 2.91Å

Retrieved 232 of 232 residues in 467.6 ms (Link to these results)

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