A0A077Z727_TRITR Loading...

Med17 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z727, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 316 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M42Very low37.3Very low244 Ų244139.5 Ų139.5100%1.20284%0.835SS**  080.10-70162.8166.500105.9
2N33.5Very low37.6Very low159 Ų159136.1 Ų136.185%0.8583%0.833SS**  43143.776.8-145.822.9000115.7
3V37.5Very low37.8Very low130 Ų130136.8 Ų136.879%0.78883%0.829SS**  trans94.1108.3174.6-155.10000113.5
4G30.7Very low37.9Very low64 Ų64136.9 Ų136.966%0.6683%0.83SS**  cis103.390.113.800000111.2
5V44.7Very low38.3Very low142 Ų142136.6 Ų136.686%0.86183%0.828SS**  trans-154.5125.5155.2-156.40000109.9
6P38.3Very low38.4Very low102 Ų102135.4 Ų135.466%0.66282%0.824SS**  trans-116.6161.5174.140.5-30000114.5
7F35.9Very low38.1Very low189 Ų189138.8 Ų138.883%0.82983%0.829SS**  trans70.7149.4159.3-73.1-62.4000118.3
8P40.1Very low38.1Very low121 Ų121139.4 Ų139.479%0.78683%0.827SS**  -143.1168.751.136.5-13.4000119.4
9T35.8Very low38.3Very low132 Ų132139.8 Ų139.881%0.8183%0.825SS**  trans-48.8141.8173.546.70000116.4
10G37Very low38.6Very low78 Ų78141.6 Ų141.680%0.80483%0.83SS**  trans-150.9118.2164.900000111.6
11N35Very low39.2Very low174 Ų174144 Ų14493%0.9383%0.831SS**  trans-49.7135.8179.5-88.6-20000114.2
12A40.9Very low39.9Very low98 Ų98137.8 Ų137.881%0.8181%0.809SS**  trans-13498.4159.400000110
13N40.7Very low41Very low146 Ų146136.2 Ų136.278%0.78180%0.8SS**  trans5.7121.5155-65.8-25.5000118.7V15N13-V15 PolarHBondContact O-N 2.85Å
14T39Very low42Very low138 Ų138133.7 Ų133.785%0.84779%0.786SS**  trans-42.1120.4153.2470000112.6
15V43Very low43.3Very low132 Ų132137 Ų13780%0.880%0.795SS**  trans-88.3125.9166177.10000107.5N13 E17N13-V15 PolarHBondContact O-N 2.85Å; V15-E17 PolarHBondContact O-N 3.31Å
16P40.4Very low43.7Very low118 Ų118133 Ų13377%0.76677%0.771SS**  trans-73.3120.1178.228.7-30.7000110.1N18P16-N18 PolarHBondContact O-N 2.84Å
17E33.6Very low44.5Very low193 Ų193131.7 Ų131.790%0.90277%0.769SS**  trans-72.797.8170.7-174.6179-174.400109V15V15-E17 PolarHBondContact O-N 3.31Å
18N37Very low45.4Very low149 Ų149125.2 Ų125.280%0.79774%0.743SS**  trans-153.6147.1164.6-125.7-14.8000109.5P16P16-N18 PolarHBondContact O-N 2.84Å
19D43.2Very low46.2Very low147 Ų147125.3 Ų125.379%0.78673%0.733SS**  trans10243.8176.8-52.7-17.3000117.5
20N44Very low47.2Very low175 Ų175123.7 Ų123.794%0.93673%0.726SS**  trans-107.144.2157.2-91.1-30000111.9
21K51.9Low48Very low192 Ų192123.1 Ų123.184%0.83571%0.708SS**PPolyproline II helixtrans-85.6121.1170.7-154.4167.6-171.7172.60108.8L23K21-L23 PolarHBondContact O-N 3.31Å
22P55.1Low49.1Very low115 Ų115119 Ų11975%0.74769%0.686SS**PPolyproline II helixtrans-59.2131.1178.923.2-31.6000109.6
23L56.9Low50.3Low126 Ų126119.9 Ų119.966%0.6667%0.673SS**PPolyproline II helixtrans-56.1138.7174.9-69.3169.7000109.1K21K21-L23 PolarHBondContact O-N 3.31Å
24P59.1Low51.6Low77 Ų77119.9 Ų119.950%0.566%0.662SS.*PPolyproline II helixtrans-58.6145.217824.4-32.9000109.8V26P24-V26 WeakPolarHBondContact O-CG2 3.35Å; P24-V26 PolarHBondContact O-N 3.17Å
25P57.2Low52.9Low132 Ų132119.4 Ų119.486%0.85765%0.65SS**  trans-60.7108.1-18024.5-32.6000109.4A27P25-A27 PolarHBondContact O-N 3.06Å
26V54.5Low54.4Low59 Ų59117.1 Ų117.136%0.35863%0.633SS.*  trans-87.2100.2176.6-178.60000107.8P24 I28 K187 L194P24-V26 WeakPolarHBondContact O-CG2 3.35Å; P24-V26 PolarHBondContact O-N 3.17Å; V26-I28 PolarHBondContact O-N 2.71Å; V26-K187 HydrophobicContact CG1-CD 3.56Å; V26-K187 VanDerWaalsContact CG1-CE 3.41Å; V26-K187 HydrophobicContact CG1-CG 4.5Å; V26-L194 HydrophobicContact CB-CD1 4.48Å; V26-L194 HydrophobicContact CG1-CD1 4.4Å; V26-L194 HydrophobicContact CG2-CD1 4.31Å
27A53.2Low56.1Low74 Ų74119 Ų11961%0.61263%0.626SS**  trans-68.1123.7163.700000108.6P25 K187P25-A27 PolarHBondContact O-N 3.06Å; A27-K187 PolarHBondContact O-NZ 3.3Å
28I56.4Low58.2Low53 Ų53112.4 Ų112.427%0.27260%0.596SS.*  trans-92.1103.8165.6-57.4176.6000103.9V26 D196V26-I28 PolarHBondContact O-N 2.71Å; I28-D196 HydrophobicContact CD1-CB 3.95Å; I28-D196 HydrophobicContact CG2-CB 4.5Å
29E57.2Low60.3Low124 Ų124110.3 Ų110.358%0.57958%0.584SS**PPolyproline II helixtrans-54.9145.2176.8-72.9-176.715100109.5R185E29-R185 VanDerWaalsContact O-CZ 3.26Å; E29-R185 PolarHBondContact O-NH1 3.09Å; E29-R185 PolarHBondContact O-NH2 3.36Å
30S54.9Low61.9Low97 Ų97105.8 Ų105.868%0.67856%0.56SS**PPolyproline II helixtrans-61.9153173.3-55.20000110.8N32S30-N32 PolarHBondContact O-N 3.04Å
31T55.4Low63.3Low67 Ų67105.9 Ų105.941%0.41156%0.559SS.*PPolyproline II helixtrans-55.3141.4171.318.40000108.2E33T31-E33 PolarHBondContact O-N 2.75Å; T31-E33 PolarHBondContact OG1-OE2 3.23Å
32N57Low64.5Low88 Ų88105.1 Ų105.147%0.47156%0.558SS.*  trans-71.670162.9-119.110.2000106.5S30 P50 L51S30-N32 PolarHBondContact O-N 3.04Å; N32-P50 HydrophobicContact CB-CB 3.62Å; N32-P50 WeakPolarHBondContact O-CB 3.36Å; N32-P50 VanDerWaalsContact O-CG 3.24Å; N32-P50 WeakPolarHBondContact O-CG 3.29Å; N32-L51 PolarHBondContact ND2-O 2.84Å
33E66.1Low65.3Low116 Ų116102 Ų10254%0.54255%0.548SS..  trans-92.8157.3176.764-164.4-17100109.7T31 Q35T31-E33 PolarHBondContact O-N 2.75Å; T31-E33 PolarHBondContact OG1-OE2 3.23Å; E33-Q35 PolarHBondContact O-N 3.28Å
34W68.3Low66Low145 Ų145102.2 Ų102.255%0.54955%0.545SS..  trans-61.4107.8172.8-74.489.8000108.8Y47 L48 Q49W34-Y47 HydrophobicContact CB-CD1 4.06Å; W34-Y47 HydrophobicContact CB-CG 4.21Å; W34-Y47 VanDerWaalsContact CE3-CB 3.49Å; W34-L48 WeakPolarHBondContact CA-O 3.12Å; W34-Q49 VanDerWaalsContact CE3-CA 3.48Å; W34-Q49 HydrophobicContact CE3-CB 4.18Å; W34-Q49 HydrophobicContact CH2-CB 3.67Å; W34-Q49 HydrophobicContact CH2-CG 3.66Å; W34-Q49 HydrophobicContact CZ2-CB 4.34Å; W34-Q49 HydrophobicContact CZ2-CG 3.93Å; W34-Q49 HydrophobicContact CZ3-CB 3.57Å; W34-Q49 HydrophobicContact CZ3-CG 4.08Å
35Q66.2Low67.1Low128 Ų128102.4 Ų102.460%0.59854%0.539SS*.EExtended strand (participates in β ladder)trans-81.1138.2176.9-65.5-173.6-44.100108.8E33 Y37 Y47 L48E33-Q35 PolarHBondContact O-N 3.28Å; Q35-Y37 PolarHBondContact O-N 3.03Å; Q35-Y47 CarbonylContact O-C 3.59Å; Q35-Y47 VanDerWaalsContact O-CA 3.31Å; Q35-Y47 WeakPolarHBondContact O-CA 3.46Å; Q35-L48 HydrophobicContact CB-CB 4.3Å; Q35-L48 HydrophobicContact CB-CD1 4.45Å; Q35-L48 PolarHBondContact N-O 3.47Å; Q35-L48 PolarHBondContact O-N 3.41Å
36I73.9Confident68Low84 Ų84102.6 Ų102.643%0.43152%0.523SS..EExtended strand (participates in β ladder)trans-68119.9174.8-59.3170.3000108I39 R46 Y47I36-I39 HydrophobicContact CG2-CG1 3.87Å; I36-R46 CarbonylContact C-O 3.41Å; I36-Y47 HydrophobicContact CG1-CD1 3.95Å; I36-Y47 HydrophobicContact CG1-CE1 3.75Å
37Y77.2Confident69.2Low158 Ų158105.4 Ų105.462%0.6253%0.528SS*.EExtended strand (participates in β ladder)trans-75.2-55.7175.3-177.1-107.2000110.3Q35 R46 L48Q35-Y37 PolarHBondContact O-N 3.03Å; Y37-R46 WeakPolarHBondContact CB-O 3.33Å; Y37-R46 PolarHBondContact N-O 3.38Å; Y37-L48 HydrophobicContact CD2-CD1 3.83Å; Y37-L48 HydrophobicContact CD2-CD2 3.96Å; Y37-L48 HydrophobicContact CD2-CG 3.76Å; Y37-L48 HydrophobicContact CG-CG 4.32Å
38D78.3Confident70.3Confident54 Ų54105.7 Ų105.729%0.28952%0.519SS..EExtended strand (participates in β ladder)trans-153.1162.5175.864.7-1.3000110.5R46D38-R46 PolarHBondContact O-N 2.96Å; D38-R46 WeakPolarHBondContact OD1-CB 3.46Å; D38-R46 WeakPolarHBondContact OD1-CD 3.16Å; D38-R46 WeakPolarHBondContact OD1-CG 3.43Å
39I81Confident71.3Confident106 Ų106110 Ų11054%0.54454%0.538SS..EExtended strand (participates in β ladder)trans-114.6115.2172-53.8177.7000105.9I36 E45I36-I39 HydrophobicContact CG2-CG1 3.87Å; I39-E45 HydrophobicContact CG1-CG 4.35Å
40L75.8Confident72Confident52 Ų52105.6 Ų105.627%0.27252%0.52SS..  trans-65159.4-179.9-66.8167.7000110.6H42 G43 Q44 R46L40-H42 PolarHBondContact O-N 3.47Å; L40-G43 WeakPolarHBondContact O-CA 3.23Å; L40-G43 PolarHBondContact O-N 3.48Å; L40-Q44 HydrophobicContact CB-CB 4.49Å; L40-Q44 WeakPolarHBondContact CB-O 3.27Å; L40-Q44 HydrophobicContact CD1-CB 4.16Å; L40-Q44 HydrophobicContact CD1-CG 4.45Å; L40-Q44 PolarHBondContact N-O 2.92Å; L40-R46 HydrophobicContact CD1-CG 4.34Å
41L72.9Confident72.7Confident176 Ų176103.6 Ų103.692%0.92150%0.501SS*.THydrogen-bonded Turntrans-59-19.1178.1-167.165.2000113G43L41-G43 VanDerWaalsContact C-N 3.32Å
42H77.7Confident73.8Confident176 Ų176105.9 Ų105.982%0.81551%0.511SS*.THydrogen-bonded Turntrans-86.64.7173.8-52.2-47.9000113.9L40 Q44L40-H42 PolarHBondContact O-N 3.47Å; H42-Q44 VanDerWaalsContact C-N 3.27Å; H42-Q44 PolarHBondContact O-N 3.24Å
43G71.9Confident74.7Confident51 Ų51109.3 Ų109.353%0.52652%0.522SS..SBendtrans78.34.1-177.900000114.8L40 L41 E45L40-G43 WeakPolarHBondContact O-CA 3.23Å; L40-G43 PolarHBondContact O-N 3.48Å; L41-G43 VanDerWaalsContact C-N 3.32Å; G43-E45 PolarHBondContact O-N 3.15Å
44Q72.1Confident75.4Confident130 Ų130107.7 Ų107.761%0.60752%0.523SS*.PPolyproline II helixtrans-79.6121.6177.8-176.6175.7-19.200110.4L40 H42L40-Q44 HydrophobicContact CB-CB 4.49Å; L40-Q44 WeakPolarHBondContact CB-O 3.27Å; L40-Q44 HydrophobicContact CD1-CB 4.16Å; L40-Q44 HydrophobicContact CD1-CG 4.45Å; L40-Q44 PolarHBondContact N-O 2.92Å; H42-Q44 VanDerWaalsContact C-N 3.27Å; H42-Q44 PolarHBondContact O-N 3.24Å
45E82.4Confident76.1Confident80 Ų80104.7 Ų104.737%0.37452%0.518SS..EExtended strand (participates in β ladder)trans-78.3128.6177.3-57.3-177.8173.200110I39 G43 Y47I39-E45 HydrophobicContact CG1-CG 4.35Å; G43-E45 PolarHBondContact O-N 3.15Å; E45-Y47 HydrophobicContact CB-CE1 4.22Å; E45-Y47 HydrophobicContact CB-CE2 4.01Å; E45-Y47 WeakPolarHBondContact OE2-CE1 3.36Å; E45-Y47 PolarHBondContact OE2-OH 3.07Å
46R76.3Confident76.7Confident137 Ų137100.4 Ų100.452%0.51750%0.498SS..EExtended strand (participates in β ladder)trans-98.7139.4163.3-64-180155.5158.9-4.8108.9I36 Y37 D38 L40I36-R46 CarbonylContact C-O 3.41Å; Y37-R46 WeakPolarHBondContact CB-O 3.33Å; Y37-R46 PolarHBondContact N-O 3.38Å; D38-R46 PolarHBondContact O-N 2.96Å; D38-R46 WeakPolarHBondContact OD1-CB 3.46Å; D38-R46 WeakPolarHBondContact OD1-CD 3.16Å; D38-R46 WeakPolarHBondContact OD1-CG 3.43Å; L40-R46 HydrophobicContact CD1-CG 4.34Å
47Y78.7Confident77.1Confident117 Ų11799.2 Ų99.246%0.45950%0.495SS..EExtended strand (participates in β ladder)trans-113.8141.3-176.9-56.3-86.1000112.2W34 Q35 I36 E45W34-Y47 HydrophobicContact CB-CD1 4.06Å; W34-Y47 HydrophobicContact CB-CG 4.21Å; W34-Y47 VanDerWaalsContact CE3-CB 3.49Å; Q35-Y47 CarbonylContact O-C 3.59Å; Q35-Y47 VanDerWaalsContact O-CA 3.31Å; Q35-Y47 WeakPolarHBondContact O-CA 3.46Å; I36-Y47 HydrophobicContact CG1-CD1 3.95Å; I36-Y47 HydrophobicContact CG1-CE1 3.75Å; E45-Y47 HydrophobicContact CB-CE1 4.22Å; E45-Y47 HydrophobicContact CB-CE2 4.01Å; E45-Y47 WeakPolarHBondContact OE2-CE1 3.36Å; E45-Y47 PolarHBondContact OE2-OH 3.07Å
48L76.3Confident77.4Confident80 Ų8093.5 Ų93.542%0.41948%0.48SS..EExtended strand (participates in β ladder)trans-78.9125.3165-81.6157.3000109.3W34 Q35 Y37W34-L48 WeakPolarHBondContact CA-O 3.12Å; Q35-L48 HydrophobicContact CB-CB 4.3Å; Q35-L48 HydrophobicContact CB-CD1 4.45Å; Q35-L48 PolarHBondContact N-O 3.47Å; Q35-L48 PolarHBondContact O-N 3.41Å; Y37-L48 HydrophobicContact CD2-CD1 3.83Å; Y37-L48 HydrophobicContact CD2-CD2 3.96Å; Y37-L48 HydrophobicContact CD2-CG 3.76Å; Y37-L48 HydrophobicContact CG-CG 4.32Å
49Q77.7Confident77.6Confident145 Ų14596.6 Ų96.668%0.67849%0.488SS*.PPolyproline II helixtrans-65.1130.4173.5-171176.58.600109.8W34W34-Q49 VanDerWaalsContact CE3-CA 3.48Å; W34-Q49 HydrophobicContact CE3-CB 4.18Å; W34-Q49 HydrophobicContact CH2-CB 3.67Å; W34-Q49 HydrophobicContact CH2-CG 3.66Å; W34-Q49 HydrophobicContact CZ2-CB 4.34Å; W34-Q49 HydrophobicContact CZ2-CG 3.93Å; W34-Q49 HydrophobicContact CZ3-CB 3.57Å; W34-Q49 HydrophobicContact CZ3-CG 4.08Å
50P71.5Confident77.7Confident31 Ų3195.2 Ų95.220%0.20148%0.481CS..PPolyproline II helixtrans-63.2145172.524.7-32.1000110.6N32 N52N32-P50 HydrophobicContact CB-CB 3.62Å; N32-P50 WeakPolarHBondContact O-CB 3.36Å; N32-P50 VanDerWaalsContact O-CG 3.24Å; N32-P50 WeakPolarHBondContact O-CG 3.29Å; P50-N52 PolarHBondContact O-N 3.38Å
51L70.5Confident78Confident55 Ų5595.9 Ų95.929%0.28849%0.488SS..PPolyproline II helixtrans-56.1139.6177.9-106.571.4000110.7N32 D55N32-L51 PolarHBondContact ND2-O 2.84Å; L51-D55 HydrophobicContact CB-CB 4.11Å; L51-D55 HydrophobicContact CD2-CB 3.53Å; L51-D55 HydrophobicContact CG-CB 3.65Å
52N78.7Confident78.4Confident115 Ų11595.3 Ų95.362%0.61548%0.48SS*.PPolyproline II helixtrans-65.7158172.1-158.90.2000109.6P50 S54 D55 H56P50-N52 PolarHBondContact O-N 3.38Å; N52-S54 PolarHBondContact O-N 3.49Å; N52-D55 WeakPolarHBondContact CB-OD2 3.26Å; N52-D55 PolarHBondContact N-OD2 2.98Å; N52-D55 PolarHBondContact O-N 2.86Å; N52-H56 PolarHBondContact O-N 2.92Å
53F75.2Confident78.6Confident159 Ų15993.8 Ų93.870%0.69748%0.475SS*.Hα-helixtrans-54.6-42.3-178.7176.2-99.9000111.7D55 H56 V57F53-D55 VanDerWaalsContact C-N 3.32Å; F53-D55 PolarHBondContact O-N 3.39Å; F53-H56 PolarHBondContact O-N 3.33Å; F53-V57 HydrophobicContact CD1-CG2 4.19Å; F53-V57 HydrophobicContact CD2-CG2 4.4Å; F53-V57 HydrophobicContact CE1-CG2 3.72Å; F53-V57 HydrophobicContact CE2-CG2 3.96Å; F53-V57 HydrophobicContact CZ-CG2 3.6Å; F53-V57 WeakPolarHBondContact O-CG2 3.43Å; F53-V57 PolarHBondContact O-N 3.45Å
54S81.9Confident79Confident82 Ų8294.1 Ų94.157%0.57347%0.467SS*.Hα-helixtrans-57.9-43175.7-170.90000112.5N52 V57 A58N52-S54 PolarHBondContact O-N 3.49Å; S54-V57 PolarHBondContact O-N 3.35Å; S54-A58 WeakPolarHBondContact O-CB 3.32Å; S54-A58 PolarHBondContact O-N 2.77Å
55D82.1Confident79.2Confident83 Ų8392.6 Ų92.644%0.44446%0.462SS..Hα-helixtrans-71.5-37.3-179.4-54.4-34.3000111.1L51 N52 F53 A58 R59L51-D55 HydrophobicContact CB-CB 4.11Å; L51-D55 HydrophobicContact CD2-CB 3.53Å; L51-D55 HydrophobicContact CG-CB 3.65Å; N52-D55 WeakPolarHBondContact CB-OD2 3.26Å; N52-D55 PolarHBondContact N-OD2 2.98Å; N52-D55 PolarHBondContact O-N 2.86Å; F53-D55 VanDerWaalsContact C-N 3.32Å; F53-D55 PolarHBondContact O-N 3.39Å; D55-A58 PolarHBondContact O-N 3.49Å; D55-R59 WeakPolarHBondContact O-CB 3.46Å; D55-R59 PolarHBondContact O-N 3.05Å
56H79.4Confident78.8Confident38 Ų3895.5 Ų95.518%0.17647%0.47CS..Hα-helixtrans-63.9-45.7175.9-179.484.2000110.9N52 F53 R59 L60N52-H56 PolarHBondContact O-N 2.92Å; F53-H56 PolarHBondContact O-N 3.33Å; H56-R59 PolarHBondContact O-N 2.94Å; H56-L60 WeakPolarHBondContact NE2-CD1 3.34Å; H56-L60 WeakPolarHBondContact O-CG 3.49Å; H56-L60 PolarHBondContact O-N 3.25Å
57V82.4Confident78.4Confident58 Ų5896.9 Ų96.935%0.35248%0.483SS..Hα-helixtrans-61.3-47.7173.7173.40000110.6F53 S54 R59 L60 T61F53-V57 HydrophobicContact CD1-CG2 4.19Å; F53-V57 HydrophobicContact CD2-CG2 4.4Å; F53-V57 HydrophobicContact CE1-CG2 3.72Å; F53-V57 HydrophobicContact CE2-CG2 3.96Å; F53-V57 HydrophobicContact CZ-CG2 3.6Å; F53-V57 WeakPolarHBondContact O-CG2 3.43Å; F53-V57 PolarHBondContact O-N 3.45Å; S54-V57 PolarHBondContact O-N 3.35Å; V57-R59 VanDerWaalsContact C-N 3.32Å; V57-R59 PolarHBondContact O-N 2.86Å; V57-L60 WeakPolarHBondContact O-CB 3.45Å; V57-L60 PolarHBondContact O-N 3.29Å; V57-L60 VanDerWaalsContact O-N 3.09Å; V57-T61 PolarHBondContact O-N 3.08Å; V57-T61 PolarHBondContact O-OG1 3.49Å
58A83.3Confident78.1Confident39 Ų3995.9 Ų95.932%0.32249%0.492SS..Hα-helixtrans-57-45.5177.700000111.8S54 D55 L60 T61 H62S54-A58 WeakPolarHBondContact O-CB 3.32Å; S54-A58 PolarHBondContact O-N 2.77Å; D55-A58 PolarHBondContact O-N 3.49Å; A58-L60 PolarHBondContact O-N 3.5Å; A58-T61 PolarHBondContact O-N 3.1Å; A58-H62 PolarHBondContact O-CD2 2.84Å; A58-H62 PolarHBondContact O-N 3.13Å
59R82.5Confident77.4Confident118 Ų11898.1 Ų98.145%0.44550%0.504SS..Hα-helixtrans-57-47.4174.3-174.5-165.9-69.3157.3-11.9111.6D55 H56 V57 H62 M63D55-R59 WeakPolarHBondContact O-CB 3.46Å; D55-R59 PolarHBondContact O-N 3.05Å; H56-R59 PolarHBondContact O-N 2.94Å; V57-R59 VanDerWaalsContact C-N 3.32Å; V57-R59 PolarHBondContact O-N 2.86Å; R59-H62 PolarHBondContact O-N 2.91Å; R59-M63 WeakPolarHBondContact O-CG 3.4Å; R59-M63 PolarHBondContact O-N 3.35Å; R59-M63 VanDerWaalsContact O-N 3.13Å
60L83Confident76.5Confident77 Ų7795.1 Ų95.140%0.40350%0.495SS..Hα-helixtrans-62-44.8177-70.8176.9000111.5H56 V57 A58 H62 M63 V64H56-L60 WeakPolarHBondContact NE2-CD1 3.34Å; H56-L60 WeakPolarHBondContact O-CG 3.49Å; H56-L60 PolarHBondContact O-N 3.25Å; V57-L60 WeakPolarHBondContact O-CB 3.45Å; V57-L60 PolarHBondContact O-N 3.29Å; V57-L60 VanDerWaalsContact O-N 3.09Å; A58-L60 PolarHBondContact O-N 3.5Å; L60-H62 VanDerWaalsContact C-N 3.26Å; L60-H62 PolarHBondContact O-N 3.42Å; L60-M63 WeakPolarHBondContact O-CB 3.22Å; L60-M63 PolarHBondContact O-N 2.73Å; L60-V64 PolarHBondContact O-N 2.78Å
61T81.3Confident75.5Confident66 Ų6695.5 Ų95.541%0.40551%0.506SS..Hα-helixtrans-58.8-37.4176.9-55.70000112V57 A58 M63 V64 W66V57-T61 PolarHBondContact O-N 3.08Å; V57-T61 PolarHBondContact O-OG1 3.49Å; A58-T61 PolarHBondContact O-N 3.1Å; T61-M63 VanDerWaalsContact C-N 3.33Å; T61-V64 PolarHBondContact O-N 3.45Å; T61-W66 HydrophobicContact CG2-CZ2 4.2Å; T61-W66 PolarHBondContact O-NE1 3.39Å
62H81.1Confident74.5Confident165 Ų16599 Ų9976%0.76453%0.534SS*.Hα-helixtrans-72-23.5174.8-74.5-62.8000113.9A58 R59 L60A58-H62 PolarHBondContact O-CD2 2.84Å; A58-H62 PolarHBondContact O-N 3.13Å; R59-H62 PolarHBondContact O-N 2.91Å; L60-H62 VanDerWaalsContact C-N 3.26Å; L60-H62 PolarHBondContact O-N 3.42Å
63M83.1Confident73.2Confident144 Ų144101.9 Ų101.971%0.70954%0.541SS*.Hα-helixtrans-81.7-16.3174.6-69.2177.866.100112.9R59 L60 T61 D65R59-M63 WeakPolarHBondContact O-CG 3.4Å; R59-M63 PolarHBondContact O-N 3.35Å; R59-M63 VanDerWaalsContact O-N 3.13Å; L60-M63 WeakPolarHBondContact O-CB 3.22Å; L60-M63 PolarHBondContact O-N 2.73Å; T61-M63 VanDerWaalsContact C-N 3.33Å; M63-D65 PolarHBondContact O-N 2.68Å
64V79.1Confident71.8Confident58 Ų58100 Ų10035%0.35254%0.538SS..  trans-74.8112.6175.2-179.80000108.8L60 T61 W66L60-V64 PolarHBondContact O-N 2.78Å; T61-V64 PolarHBondContact O-N 3.45Å; V64-W66 VanDerWaalsContact C-N 3.35Å; V64-W66 HydrophobicContact CB-CD2 4.28Å; V64-W66 HydrophobicContact CB-CH2 4.43Å; V64-W66 HydrophobicContact CB-CZ2 3.85Å; V64-W66 HydrophobicContact CG1-CD2 3.58Å; V64-W66 HydrophobicContact CG1-CE3 3.75Å; V64-W66 HydrophobicContact CG1-CG 4.15Å; V64-W66 HydrophobicContact CG1-CH2 3.92Å; V64-W66 HydrophobicContact CG1-CZ2 3.73Å; V64-W66 HydrophobicContact CG1-CZ3 3.92Å; V64-W66 HydrophobicContact CG2-CZ2 4.26Å; V64-W66 VanDerWaalsContact O-CD1 3.25Å; V64-W66 PolarHBondContact O-N 3.34Å; V64-W66 PolarHBondContact O-NE1 2.98Å
65D76.3Confident69.8Low97 Ų9799.1 Ų99.152%0.51953%0.532SS..  trans-75.890.8165.9-174.8-1.1000109.4M63 Q67 S68 L69M63-D65 PolarHBondContact O-N 2.68Å; D65-Q67 PolarHBondContact O-N 2.81Å; D65-Q67 WeakPolarHBondContact OD1-CB 3.35Å; D65-Q67 PolarHBondContact OD1-N 3.3Å; D65-S68 PolarHBondContact O-N 2.84Å; D65-S68 VanDerWaalsContact O-N 3.14Å; D65-S68 PolarHBondContact OD1-N 2.95Å; D65-L69 PolarHBondContact O-N 3.47Å
66W73.8Confident68.4Low142 Ų142103.5 Ų103.554%0.53855%0.553SS.*Hα-helixtrans-60.6-25.8178-59.4101.4000112.2T61 V64 L69 V70T61-W66 HydrophobicContact CG2-CZ2 4.2Å; T61-W66 PolarHBondContact O-NE1 3.39Å; V64-W66 VanDerWaalsContact C-N 3.35Å; V64-W66 HydrophobicContact CB-CD2 4.28Å; V64-W66 HydrophobicContact CB-CH2 4.43Å; V64-W66 HydrophobicContact CB-CZ2 3.85Å; V64-W66 HydrophobicContact CG1-CD2 3.58Å; V64-W66 HydrophobicContact CG1-CE3 3.75Å; V64-W66 HydrophobicContact CG1-CG 4.15Å; V64-W66 HydrophobicContact CG1-CH2 3.92Å; V64-W66 HydrophobicContact CG1-CZ2 3.73Å; V64-W66 HydrophobicContact CG1-CZ3 3.92Å; V64-W66 HydrophobicContact CG2-CZ2 4.26Å; V64-W66 VanDerWaalsContact O-CD1 3.25Å; V64-W66 PolarHBondContact O-N 3.34Å; V64-W66 PolarHBondContact O-NE1 2.98Å; W66-L69 HydrophobicContact CE3-CD2 4.16Å; W66-L69 HydrophobicContact CZ3-CD2 4.07Å; W66-L69 PolarHBondContact O-N 3.3Å; W66-V70 WeakPolarHBondContact O-CB 3.46Å; W66-V70 WeakPolarHBondContact O-CG2 3.23Å; W66-V70 PolarHBondContact O-N 3.45Å
67Q68.6Low66.7Low166 Ų166107.4 Ų107.478%0.77658%0.58SS**Hα-helixtrans-71.8-35.2177.7-62.9-177.2-12.500111.5D65D65-Q67 PolarHBondContact O-N 2.81Å; D65-Q67 WeakPolarHBondContact OD1-CB 3.35Å; D65-Q67 PolarHBondContact OD1-N 3.3Å
68S72Confident65Low95 Ų95110.4 Ų110.466%0.66459%0.591SS**Hα-helixtrans-69.1-32.8172.2178.10000112.7D65D65-S68 PolarHBondContact O-N 2.84Å; D65-S68 VanDerWaalsContact O-N 3.14Å; D65-S68 PolarHBondContact OD1-N 2.95Å
69L61.5Low63.3Low128 Ų128117.1 Ų117.167%0.6762%0.617SS**Hα-helixtrans-81.8-34.4-175.2-164.371.9000112.7D65 W66 G71D65-L69 PolarHBondContact O-N 3.47Å; W66-L69 HydrophobicContact CE3-CD2 4.16Å; W66-L69 HydrophobicContact CZ3-CD2 4.07Å; W66-L69 PolarHBondContact O-N 3.3Å; L69-G71 VanDerWaalsContact C-N 3.3Å
70V59.9Low61.6Low81 Ų81119 Ų11949%0.49164%0.636SS.*Hα-helixtrans-83.9-10.3-177.1-176.30000111.8W66 L74W66-V70 WeakPolarHBondContact O-CB 3.46Å; W66-V70 WeakPolarHBondContact O-CG2 3.23Å; W66-V70 PolarHBondContact O-N 3.45Å; V70-L74 HydrophobicContact CG1-CB 4.24Å; V70-L74 HydrophobicContact CG1-CD1 4.01Å
71G50.3Low59.6Low40 Ų40120.2 Ų120.241%0.41265%0.651SS.*  trans66.4137.6-176.600000111.1L69 K73L69-G71 VanDerWaalsContact C-N 3.3Å; G71-K73 PolarHBondContact O-N 2.93Å
72S49Very low57.5Low127 Ų127122 Ų12289%0.88867%0.666SS**THydrogen-bonded Turntrans-69.728.3-176.475.90000114.7
73K51.1Low55.6Low177 Ų177122.4 Ų122.477%0.7767%0.668SS**THydrogen-bonded Turntrans-129.4-9.7-174.3-76.5-171.5176.3-176.50115.5G71 S75G71-K73 PolarHBondContact O-N 2.93Å; K73-S75 PolarHBondContact O-N 3.26Å
74L45.9Very low53.7Low118 Ų118122.3 Ų122.362%0.61867%0.671SS**  trans-85.384.1178.5-65.5177.1000110.3V70V70-L74 HydrophobicContact CG1-CB 4.24Å; V70-L74 HydrophobicContact CG1-CD1 4.01Å
75S40.4Very low52.2Low65 Ų65129 Ų12946%0.45570%0.698SS.*  trans-61.2134.4156.680.30000107.6K73 T77 E78K73-S75 PolarHBondContact O-N 3.26Å; S75-T77 PolarHBondContact O-N 3.42Å; S75-E78 PolarHBondContact O-N 3.49Å
76I51.7Low50.6Low174 Ų174132.9 Ų132.989%0.89271%0.713SS**THydrogen-bonded Turntrans-52.8-6.8-177.9-80.5167000113.9
77T45.6Very low49.1Very low121 Ų121134.7 Ų134.774%0.74273%0.728SS**THydrogen-bonded Turntrans-89.3-20.5-174.6-38.70000114.2S75S75-T77 PolarHBondContact O-N 3.42Å
78E46.4Very low47.8Very low121 Ų121135.5 Ų135.557%0.56573%0.732SS**SBendtrans-95.62.8-170.7-70178.8159.100114.8S75 N80S75-E78 PolarHBondContact O-N 3.49Å; E78-N80 PolarHBondContact O-N 3.2Å
79M47.1Very low46.2Very low180 Ų180135.3 Ų135.389%0.88774%0.736SS**THydrogen-bonded Turntrans-80.16.1-176.3-147.4160169.200114.2
80N47.3Very low45.6Very low158 Ų158136 Ų13685%0.84575%0.745SS**THydrogen-bonded Turntrans-116.97.1-174.9-81-16.5000114.9E78E78-N80 PolarHBondContact O-N 3.2Å
81S39.6Very low45Very low101 Ų101138.7 Ų138.771%0.70676%0.757SS**  trans-106.491.917459.10000110.5
82S38.1Very low44.8Very low104 Ų104138.7 Ų138.773%0.72775%0.753SS**  trans-72.8123.3161.249.10000109.4
83E41.7Very low44.9Very low173 Ų173136.7 Ų136.781%0.80874%0.744SS**  trans-173.9123.1146.5-101.1157.1-149.100109.4
84D43.6Very low45Very low143 Ų143132.1 Ų132.177%0.76573%0.734SS**  trans64.3115.1149-51.1-24.5000120.9
85E46.9Very low45.3Very low197 Ų197130.5 Ų130.592%0.92173%0.729SS**  -177.5136.4103.6-95.3-178.7-173.100112.4
86E43.3Very low46.3Very low180 Ų180132.6 Ų132.684%0.84173%0.732SS**  trans-72.1126.3178.1-58.8169.8140.100111.3
87Q41.9Very low46.8Very low180 Ų180128.7 Ų128.784%0.84172%0.716SS**  trans-179.7153.3139.4-133.164.8-29.500111.4
88E41.7Very low48Very low183 Ų183131.8 Ų131.886%0.85571%0.714SS**  trans86.863.6174.9-64-167.714900117.8T90E88-T90 PolarHBondContact O-N 3.14Å
89A36.7Very low49.2Very low91 Ų91129.6 Ų129.675%0.75271%0.706SS**THydrogen-bonded Turntrans-64.1106.9155.700000111
90T49.1Very low50.3Low141 Ų141125.6 Ų125.687%0.86569%0.688SS**THydrogen-bonded Turntrans-171.8-17.5140.325.30000113.3E88E88-T90 PolarHBondContact O-N 3.14Å
91D48.4Very low51.5Low139 Ų139120.8 Ų120.874%0.74366%0.664SS**SBendtrans-101.11.6174.6-85.8-20.3000114.3A93 S94D91-A93 VanDerWaalsContact C-N 3.28Å; D91-A93 PolarHBondContact O-N 3.38Å; D91-S94 PolarHBondContact O-OG 3.15Å
92A46.1Very low53Low39 Ų39118 Ų11832%0.32265%0.651SS.*Hα-helixtrans-65.3-21.8-171.500000115.1S94 V95 H96A92-S94 VanDerWaalsContact C-N 3.3Å; A92-S94 PolarHBondContact O-N 3.17Å; A92-V95 PolarHBondContact O-N 3.23Å; A92-H96 PolarHBondContact O-CD2 2.68Å; A92-H96 PolarHBondContact O-N 3.05Å
93A50.4Low54.6Low86 Ų86120 Ų12071%0.71165%0.647SS**Hα-helixtrans-65.6-29.6-174.300000113.7D91D91-A93 VanDerWaalsContact C-N 3.28Å; D91-A93 PolarHBondContact O-N 3.38Å
94S52.9Low56.1Low80 Ų80118.6 Ų118.656%0.55964%0.641SS**Hα-helixtrans-86.3-25.2174.750.80000113.7D91 A92D91-S94 PolarHBondContact O-OG 3.15Å; A92-S94 VanDerWaalsContact C-N 3.3Å; A92-S94 PolarHBondContact O-N 3.17Å
95V53.3Low57.3Low84 Ų84117.7 Ų117.751%0.50963%0.63SS.*Hα-helixtrans-72.2-40.3-179-178.30000110.2A92 V97 W98 D99A92-V95 PolarHBondContact O-N 3.23Å; V95-V97 PolarHBondContact O-N 3.14Å; V95-V97 VanDerWaalsContact O-N 3.17Å; V95-W98 PolarHBondContact O-N 3.1Å; V95-W98 VanDerWaalsContact O-N 3.1Å; V95-D99 PolarHBondContact O-N 2.89Å
96H60Low58.6Low109 Ų109111.3 Ų111.351%0.50561%0.607SS.*Hα-helixtrans-65.3-19.5178.2-68.2-49.2000115.6A92 W98 D99A92-H96 PolarHBondContact O-CD2 2.68Å; A92-H96 PolarHBondContact O-N 3.05Å; H96-W98 VanDerWaalsContact C-N 3.3Å; H96-D99 WeakPolarHBondContact CA-OD2 3.35Å; H96-D99 IonicContact CE1-OD2 3.44Å; H96-D99 IonicContact CG-OD2 3.9Å; H96-D99 IonicContact ND1-OD2 3.96Å; H96-D99 PolarHBondContact ND1-OD2 3.49Å
97V62.8Low60.5Low93 Ų93105 Ų10556%0.56459%0.586SS**Hα-helixtrans-67.5-38.1175-177.70000110V95V95-V97 PolarHBondContact O-N 3.14Å; V95-V97 VanDerWaalsContact O-N 3.17Å
98W71.5Confident62.5Low186 Ų186100.6 Ų100.671%0.70557%0.568SS**Hα-helixtrans-77.7-27.4178.8-66.8107000112.9V95 H96 N100 V101 G102V95-W98 PolarHBondContact O-N 3.1Å; V95-W98 VanDerWaalsContact O-N 3.1Å; H96-W98 VanDerWaalsContact C-N 3.3Å; W98-N100 PolarHBondContact O-N 3.1Å; W98-V101 HydrophobicContact CE3-CB 4.1Å; W98-V101 HydrophobicContact CE3-CG1 4.25Å; W98-V101 HydrophobicContact CE3-CG2 4.06Å; W98-V101 HydrophobicContact CZ3-CG1 4.39Å; W98-V101 HydrophobicContact CZ3-CG2 4.45Å; W98-V101 CarbonylContact O-C 3.45Å; W98-V101 WeakPolarHBondContact O-CB 3.31Å; W98-V101 PolarHBondContact O-N 2.77Å; W98-V101 VanDerWaalsContact O-N 3.08Å; W98-G102 PolarHBondContact O-N 3.1Å
99D70.1Confident64.6Low75 Ų7595 Ų9540%0.40155%0.549SS..Hα-helixtrans-57.6-38.6173.1-68.1-22.6000111.7V95 H96 G102 K103V95-D99 PolarHBondContact O-N 2.89Å; H96-D99 WeakPolarHBondContact CA-OD2 3.35Å; H96-D99 IonicContact CE1-OD2 3.44Å; H96-D99 IonicContact CG-OD2 3.9Å; H96-D99 IonicContact ND1-OD2 3.96Å; H96-D99 PolarHBondContact ND1-OD2 3.49Å; D99-G102 PolarHBondContact O-N 3.28Å; D99-K103 PolarHBondContact O-N 3.3Å
100N71.1Confident67Low95 Ų9596.9 Ų96.951%0.50854%0.542SS..Hα-helixtrans-70.6-38.4176.3-69.3-23.7000111.8W98 G102 K103 E104W98-N100 PolarHBondContact O-N 3.1Å; N100-G102 VanDerWaalsContact C-N 3.27Å; N100-G102 PolarHBondContact O-N 2.95Å; N100-K103 PolarHBondContact O-N 2.85Å; N100-E104 WeakPolarHBondContact O-CG 3.19Å; N100-E104 PolarHBondContact O-N 2.8Å; N100-E104 VanDerWaalsContact O-N 3.15Å
101V71.5Confident69Low57 Ų5794.5 Ų94.535%0.34552%0.523SS..Hα-helixtrans-63.8-37.4172.5-176.60000110.5W98 K103 E104 F105W98-V101 HydrophobicContact CE3-CB 4.1Å; W98-V101 HydrophobicContact CE3-CG1 4.25Å; W98-V101 HydrophobicContact CE3-CG2 4.06Å; W98-V101 HydrophobicContact CZ3-CG1 4.39Å; W98-V101 HydrophobicContact CZ3-CG2 4.45Å; W98-V101 CarbonylContact O-C 3.45Å; W98-V101 WeakPolarHBondContact O-CB 3.31Å; W98-V101 PolarHBondContact O-N 2.77Å; W98-V101 VanDerWaalsContact O-N 3.08Å; V101-K103 VanDerWaalsContact C-N 3.34Å; V101-K103 PolarHBondContact O-N 3.02Å; V101-E104 PolarHBondContact O-N 3.08Å; V101-F105 HydrophobicContact CG1-CD2 4.45Å; V101-F105 HydrophobicContact CG1-CE2 4Å; V101-F105 WeakPolarHBondContact O-CD2 3.34Å; V101-F105 PolarHBondContact O-N 3.3Å; V101-F105 VanDerWaalsContact O-N 3.14Å
102G72.4Confident70.9Confident42 Ų4292.3 Ų92.343%0.43351%0.511SS..Hα-helixtrans-53-46.2170.100000113W98 D99 N100 F105W98-G102 PolarHBondContact O-N 3.1Å; D99-G102 PolarHBondContact O-N 3.28Å; N100-G102 VanDerWaalsContact C-N 3.27Å; N100-G102 PolarHBondContact O-N 2.95Å; G102-F105 WeakPolarHBondContact O-CB 3.33Å; G102-F105 PolarHBondContact O-N 3.1Å
103K72Confident73.1Confident147 Ų14794.8 Ų94.864%0.63952%0.522SS*.Hα-helixtrans-67.1-35.1176.7-68.7171.7-175.3171.20112.6D99 N100 V101 F105 S106D99-K103 PolarHBondContact O-N 3.3Å; N100-K103 PolarHBondContact O-N 2.85Å; V101-K103 VanDerWaalsContact C-N 3.34Å; V101-K103 PolarHBondContact O-N 3.02Å; K103-F105 PolarHBondContact O-N 3.45Å; K103-S106 VanDerWaalsContact O-CB 3.23Å; K103-S106 WeakPolarHBondContact O-CB 3.26Å; K103-S106 PolarHBondContact O-N 3.46Å; K103-S106 VanDerWaalsContact O-N 3.1Å; K103-S106 PolarHBondContact O-OG 3.17Å
104E71.5Confident75.1Confident144 Ų14495.4 Ų95.467%0.67351%0.513SS*.Hα-helixtrans-69.5-18.9174.8-62.7-64.9145.600112.7N100 V101 S106 A107N100-E104 WeakPolarHBondContact O-CG 3.19Å; N100-E104 PolarHBondContact O-N 2.8Å; N100-E104 VanDerWaalsContact O-N 3.15Å; V101-E104 PolarHBondContact O-N 3.08Å; E104-S106 PolarHBondContact O-N 3.34Å; E104-S106 VanDerWaalsContact O-N 3.14Å; E104-A107 WeakPolarHBondContact O-CB 3.32Å; E104-A107 PolarHBondContact O-N 3.19Å
105F70.8Confident76.9Confident123 Ų12395.4 Ų95.454%0.53951%0.506SS..THydrogen-bonded Turntrans-65.9-6.5168.4-78.4-74.2000113.4V101 G102 K103 A107 L108 S109V101-F105 HydrophobicContact CG1-CD2 4.45Å; V101-F105 HydrophobicContact CG1-CE2 4Å; V101-F105 WeakPolarHBondContact O-CD2 3.34Å; V101-F105 PolarHBondContact O-N 3.3Å; V101-F105 VanDerWaalsContact O-N 3.14Å; G102-F105 WeakPolarHBondContact O-CB 3.33Å; G102-F105 PolarHBondContact O-N 3.1Å; K103-F105 PolarHBondContact O-N 3.45Å; F105-A107 PolarHBondContact O-N 2.98Å; F105-L108 HydrophobicContact CD1-CD1 3.35Å; F105-L108 HydrophobicContact CD1-CG 3.83Å; F105-L108 HydrophobicContact CE1-CD1 3.71Å; F105-L108 HydrophobicContact CE1-CG 4.46Å; F105-L108 WeakPolarHBondContact O-CB 3.49Å; F105-L108 PolarHBondContact O-N 3.21Å; F105-S109 PolarHBondContact O-N 3.07Å
106S74.1Confident78.6Confident63 Ų6395.5 Ų95.544%0.44150%0.504SS..Hα-helixtrans-54.3-29.9162.856.30000112.5K103 E104 L108 S109 E110K103-S106 VanDerWaalsContact O-CB 3.23Å; K103-S106 WeakPolarHBondContact O-CB 3.26Å; K103-S106 PolarHBondContact O-N 3.46Å; K103-S106 VanDerWaalsContact O-N 3.1Å; K103-S106 PolarHBondContact O-OG 3.17Å; E104-S106 PolarHBondContact O-N 3.34Å; E104-S106 VanDerWaalsContact O-N 3.14Å; S106-L108 PolarHBondContact O-N 2.77Å; S106-S109 PolarHBondContact O-N 3.27Å; S106-S109 VanDerWaalsContact O-N 3.1Å; S106-S109 PolarHBondContact O-OG 3.05Å; S106-E110 PolarHBondContact O-N 3.23Å; S106-E110 VanDerWaalsContact O-N 3.1Å
107A82.5Confident80Confident47 Ų4793.2 Ų93.239%0.38850%0.497SS..Hα-helixtrans-62.2-30172.100000112.7E104 F105 I111E104-A107 WeakPolarHBondContact O-CB 3.32Å; E104-A107 PolarHBondContact O-N 3.19Å; F105-A107 PolarHBondContact O-N 2.98Å; A107-I111 WeakPolarHBondContact O-CB 3.3Å; A107-I111 WeakPolarHBondContact O-CD1 3.35Å; A107-I111 WeakPolarHBondContact O-CG1 3.17Å; A107-I111 PolarHBondContact O-N 2.79Å
108L83.8Confident81.2Confident88 Ų8892.9 Ų92.946%0.46149%0.491SS..Hα-helixtrans-70.9-35173.8-73.4-170.9000112.1F105 S106 E110 I111 N112F105-L108 HydrophobicContact CD1-CD1 3.35Å; F105-L108 HydrophobicContact CD1-CG 3.83Å; F105-L108 HydrophobicContact CE1-CD1 3.71Å; F105-L108 HydrophobicContact CE1-CG 4.46Å; F105-L108 WeakPolarHBondContact O-CB 3.49Å; F105-L108 PolarHBondContact O-N 3.21Å; S106-L108 PolarHBondContact O-N 2.77Å; L108-E110 VanDerWaalsContact C-N 3.34Å; L108-I111 HydrophobicContact CD2-CD1 4.34Å; L108-I111 PolarHBondContact O-N 3.46Å; L108-N112 WeakPolarHBondContact O-CB 3.3Å; L108-N112 VanDerWaalsContact O-CG 3.23Å; L108-N112 PolarHBondContact O-N 2.92Å; L108-N112 PolarHBondContact O-ND2 2.97Å
109S85.4Confident81.9Confident67 Ų6789.1 Ų89.147%0.46948%0.48SS..Hα-helixtrans-66.7-39.9175.165.80000110.6F105 S106 N112 V113F105-S109 PolarHBondContact O-N 3.07Å; S106-S109 PolarHBondContact O-N 3.27Å; S106-S109 VanDerWaalsContact O-N 3.1Å; S106-S109 PolarHBondContact O-OG 3.05Å; S109-N112 PolarHBondContact O-N 3.36Å; S109-V113 VanDerWaalsContact O-CG2 3.31Å; S109-V113 WeakPolarHBondContact O-CG2 3.4Å; S109-V113 PolarHBondContact O-N 3.17Å
110E87.9Confident82.7Confident130 Ų13088.4 Ų88.461%0.60748%0.478SS*.Hα-helixtrans-60.6-45.6171.8-68.3-178.2-177.200112.3S106 L108 N112 V113 I114S106-E110 PolarHBondContact O-N 3.23Å; S106-E110 VanDerWaalsContact O-N 3.1Å; L108-E110 VanDerWaalsContact C-N 3.34Å; E110-N112 VanDerWaalsContact C-N 3.33Å; E110-N112 PolarHBondContact O-N 3.05Å; E110-V113 PolarHBondContact O-N 3.23Å; E110-I114 WeakPolarHBondContact O-CG1 3.28Å; E110-I114 PolarHBondContact O-N 3.1Å
111I89.9Confident83.4Confident91 Ų9184.1 Ų84.147%0.46746%0.456SS..Hα-helixtrans-61.6-41.8176.3-71.2164.3000111.2A107 L108 I114 L115A107-I111 WeakPolarHBondContact O-CB 3.3Å; A107-I111 WeakPolarHBondContact O-CD1 3.35Å; A107-I111 WeakPolarHBondContact O-CG1 3.17Å; A107-I111 PolarHBondContact O-N 2.79Å; L108-I111 HydrophobicContact CD2-CD1 4.34Å; L108-I111 PolarHBondContact O-N 3.46Å; I111-I114 PolarHBondContact O-N 2.94Å; I111-L115 WeakPolarHBondContact O-CB 3Å; I111-L115 PolarHBondContact O-N 3.39Å
112N89.5Confident84Confident92 Ų9285.9 Ų85.949%0.49247%0.467SS..Hα-helixtrans-64.2-42177.5-75.9-29.1000111.8L108 S109 E110 I114 L115 D116L108-N112 WeakPolarHBondContact O-CB 3.3Å; L108-N112 VanDerWaalsContact O-CG 3.23Å; L108-N112 PolarHBondContact O-N 2.92Å; L108-N112 PolarHBondContact O-ND2 2.97Å; S109-N112 PolarHBondContact O-N 3.36Å; E110-N112 VanDerWaalsContact C-N 3.33Å; E110-N112 PolarHBondContact O-N 3.05Å; N112-I114 VanDerWaalsContact C-N 3.35Å; N112-I114 PolarHBondContact O-N 2.84Å; N112-L115 WeakPolarHBondContact O-CB 3.36Å; N112-L115 PolarHBondContact O-N 2.79Å; N112-D116 PolarHBondContact O-N 2.94Å
113V91.7Very high84.4Confident91 Ų9188.6 Ų88.655%0.55247%0.468SS*.Hα-helixtrans-60.2-45174.2171.40000110.8S109 E110 L115 D116 V117S109-V113 VanDerWaalsContact O-CG2 3.31Å; S109-V113 WeakPolarHBondContact O-CG2 3.4Å; S109-V113 PolarHBondContact O-N 3.17Å; E110-V113 PolarHBondContact O-N 3.23Å; V113-L115 VanDerWaalsContact C-N 3.3Å; V113-L115 PolarHBondContact O-N 3.48Å; V113-D116 PolarHBondContact O-N 2.78Å; V113-V117 WeakPolarHBondContact O-CG2 3.4Å; V113-V117 PolarHBondContact O-N 3.34Å
114I91.8Very high84.6Confident100 Ų10089.1 Ų89.151%0.51347%0.47SS..Hα-helixtrans-60.2-42.7175.6-68.5166.3000110.8E110 I111 N112 D116 V117 I118E110-I114 WeakPolarHBondContact O-CG1 3.28Å; E110-I114 PolarHBondContact O-N 3.1Å; I111-I114 PolarHBondContact O-N 2.94Å; N112-I114 VanDerWaalsContact C-N 3.35Å; N112-I114 PolarHBondContact O-N 2.84Å; I114-D116 VanDerWaalsContact C-N 3.32Å; I114-D116 PolarHBondContact O-N 2.9Å; I114-V117 PolarHBondContact O-N 3.19Å; I114-I118 HydrophobicContact CG2-CD1 3.9Å; I114-I118 HydrophobicContact CG2-CG1 4.5Å; I114-I118 VanDerWaalsContact O-CG1 3.3Å; I114-I118 WeakPolarHBondContact O-CG1 3.4Å; I114-I118 PolarHBondContact O-N 3.42Å
115L90.9Very high84.6Confident79 Ų7990.6 Ų90.641%0.41447%0.47SS..Hα-helixtrans-63.7-39.1179.5-153.7159000111.1I111 N112 V113 I118 K119I111-L115 WeakPolarHBondContact O-CB 3Å; I111-L115 PolarHBondContact O-N 3.39Å; N112-L115 WeakPolarHBondContact O-CB 3.36Å; N112-L115 PolarHBondContact O-N 2.79Å; V113-L115 VanDerWaalsContact C-N 3.3Å; V113-L115 PolarHBondContact O-N 3.48Å; L115-I118 PolarHBondContact O-N 3.37Å; L115-K119 HydrophobicContact CD2-CD 3.9Å; L115-K119 HydrophobicContact CD2-CG 4.21Å; L115-K119 WeakPolarHBondContact O-CG 3.44Å; L115-K119 PolarHBondContact O-N 3.22Å
116D90.5Very high85Confident86 Ų8693.4 Ų93.446%0.4648%0.478SS..Hα-helixtrans-68.2-40.6174.8-71.4-18.6000112.2N112 V113 I114 I118 K119 V120N112-D116 PolarHBondContact O-N 2.94Å; V113-D116 PolarHBondContact O-N 2.78Å; I114-D116 VanDerWaalsContact C-N 3.32Å; I114-D116 PolarHBondContact O-N 2.9Å; D116-I118 VanDerWaalsContact C-N 3.31Å; D116-I118 PolarHBondContact O-N 2.92Å; D116-K119 PolarHBondContact O-N 2.87Å; D116-K119 IonicContact OD1-NZ 2.87Å; D116-V120 WeakPolarHBondContact O-CG2 3.35Å; D116-V120 PolarHBondContact O-N 3.18Å
117V89.3Confident85.2Confident62 Ų6295 Ų9538%0.37648%0.48SS..Hα-helixtrans-59.4-43.2172.1172.50000110.8V113 I114 V120 T121 M127V113-V117 WeakPolarHBondContact O-CG2 3.4Å; V113-V117 PolarHBondContact O-N 3.34Å; I114-V117 PolarHBondContact O-N 3.19Å; V117-V120 PolarHBondContact O-N 2.92Å; V117-T121 HydrophobicContact CG1-CG2 4.29Å; V117-T121 WeakPolarHBondContact O-CB 3.46Å; V117-T121 VanDerWaalsContact O-CG2 3.26Å; V117-T121 WeakPolarHBondContact O-CG2 3.49Å; V117-T121 PolarHBondContact O-N 2.93Å; V117-T121 PolarHBondContact O-OG1 3.19Å; V117-M127 HydrophobicContact CG1-SD 4.43Å
118I87.5Confident85Confident85 Ų8598.6 Ų98.644%0.43649%0.492SS..Hα-helixtrans-62.8-43.2175.5-67.9167.1000111I114 L115 D116 V120 T121 T122I114-I118 HydrophobicContact CG2-CD1 3.9Å; I114-I118 HydrophobicContact CG2-CG1 4.5Å; I114-I118 VanDerWaalsContact O-CG1 3.3Å; I114-I118 WeakPolarHBondContact O-CG1 3.4Å; I114-I118 PolarHBondContact O-N 3.42Å; L115-I118 PolarHBondContact O-N 3.37Å; D116-I118 VanDerWaalsContact C-N 3.31Å; D116-I118 PolarHBondContact O-N 2.92Å; I118-V120 PolarHBondContact O-N 3.36Å; I118-T121 VanDerWaalsContact CA-OG1 3.3Å; I118-T121 WeakPolarHBondContact CA-OG1 3.36Å; I118-T121 PolarHBondContact O-N 3.28Å; I118-T121 PolarHBondContact O-OG1 2.92Å; I118-T122 HydrophobicContact CG2-CG2 4.15Å; I118-T122 WeakPolarHBondContact O-CB 3.38Å; I118-T122 WeakPolarHBondContact O-CG2 3.5Å; I118-T122 PolarHBondContact O-N 3.46Å; I118-T122 PolarHBondContact O-OG1 2.9Å
119K86.3Confident84.6Confident107 Ų107101.4 Ų101.447%0.46550%0.501SS..Hα-helixtrans-62.5-39.9176.4-76.8170.7177.4161.20112.8L115 D116 T122 Q123L115-K119 HydrophobicContact CD2-CD 3.9Å; L115-K119 HydrophobicContact CD2-CG 4.21Å; L115-K119 WeakPolarHBondContact O-CG 3.44Å; L115-K119 PolarHBondContact O-N 3.22Å; D116-K119 PolarHBondContact O-N 2.87Å; D116-K119 IonicContact OD1-NZ 2.87Å; K119-T122 WeakPolarHBondContact CA-OG1 3.27Å; K119-T122 PolarHBondContact O-OG1 3.19Å; K119-Q123 WeakPolarHBondContact O-CG 3.47Å; K119-Q123 PolarHBondContact O-N 3.42Å
120V86.8Confident84.2Confident60 Ų60104.6 Ų104.636%0.36451%0.512SS..Hα-helixtrans-71-42.9179.3173.50000111.2D116 V117 I118 Q123 Y126 M127D116-V120 WeakPolarHBondContact O-CG2 3.35Å; D116-V120 PolarHBondContact O-N 3.18Å; V117-V120 PolarHBondContact O-N 2.92Å; I118-V120 PolarHBondContact O-N 3.36Å; V120-Q123 PolarHBondContact O-N 3.47Å; V120-Y126 HydrophobicContact CG1-CD2 4.5Å; V120-M127 HydrophobicContact CG1-CB 4.28Å
121T85.3Confident83.6Confident6 Ų6104.5 Ų104.54%0.03752%0.521CS..Hα-helixtrans-68.4-37.7179.250.50000112.7V117 I118 Q123 K124 M127 F129V117-T121 HydrophobicContact CG1-CG2 4.29Å; V117-T121 WeakPolarHBondContact O-CB 3.46Å; V117-T121 VanDerWaalsContact O-CG2 3.26Å; V117-T121 WeakPolarHBondContact O-CG2 3.49Å; V117-T121 PolarHBondContact O-N 2.93Å; V117-T121 PolarHBondContact O-OG1 3.19Å; I118-T121 VanDerWaalsContact CA-OG1 3.3Å; I118-T121 WeakPolarHBondContact CA-OG1 3.36Å; I118-T121 PolarHBondContact O-N 3.28Å; I118-T121 PolarHBondContact O-OG1 2.92Å; T121-Q123 VanDerWaalsContact C-N 3.27Å; T121-Q123 PolarHBondContact O-N 3.2Å; T121-K124 PolarHBondContact O-N 3.43Å; T121-K124 VanDerWaalsContact O-N 3.1Å; T121-M127 HydrophobicContact CG2-CB 3.8Å; T121-M127 HydrophobicContact CG2-CG 3.7Å; T121-M127 HydrophobicContact CG2-SD 3.62Å; T121-F129 HydrophobicContact CG2-CE1 4.11Å; T121-F129 HydrophobicContact CG2-CE2 4.04Å; T121-F129 HydrophobicContact CG2-CZ 3.81Å; T121-F129 VanDerWaalsContact OG1-CE2 3.26Å; T121-F129 WeakPolarHBondContact OG1-CE2 3.39Å; T121-F129 VanDerWaalsContact OG1-CZ 3.32Å; T121-F129 WeakPolarHBondContact OG1-CZ 3.29Å
122T83.3Confident82.4Confident94 Ų94105.9 Ų105.958%0.57753%0.533SS*.Hα-helixtrans-64.1-29.8176.647.60000113I118 K119 K124I118-T122 HydrophobicContact CG2-CG2 4.15Å; I118-T122 WeakPolarHBondContact O-CB 3.38Å; I118-T122 WeakPolarHBondContact O-CG2 3.5Å; I118-T122 PolarHBondContact O-N 3.46Å; I118-T122 PolarHBondContact O-OG1 2.9Å; K119-T122 WeakPolarHBondContact CA-OG1 3.27Å; K119-T122 PolarHBondContact O-OG1 3.19Å; T122-K124 VanDerWaalsContact C-N 3.25Å; T122-K124 PolarHBondContact O-N 3.49Å
123Q81.7Confident81Confident98 Ų98106.8 Ų106.846%0.45855%0.547SS..THydrogen-bonded Turntrans-74.4-11.8176.1-69.3179.926.400113.5K119 V120 T121 R125K119-Q123 WeakPolarHBondContact O-CG 3.47Å; K119-Q123 PolarHBondContact O-N 3.42Å; V120-Q123 PolarHBondContact O-N 3.47Å; T121-Q123 VanDerWaalsContact C-N 3.27Å; T121-Q123 PolarHBondContact O-N 3.2Å; Q123-R125 WeakPolarHBondContact O-CG 3.45Å; Q123-R125 PolarHBondContact O-N 3.41Å
124K76.1Confident79.1Confident159 Ų159112.3 Ų112.369%0.69156%0.558SS**  trans54.15.6-179.9-58.3-173.6-178.8-178.30116.3T121 T122 L128T121-K124 PolarHBondContact O-N 3.43Å; T121-K124 VanDerWaalsContact O-N 3.1Å; T122-K124 VanDerWaalsContact C-N 3.25Å; T122-K124 PolarHBondContact O-N 3.49Å; K124-L128 HydrophobicContact CB-CD2 3.85Å; K124-L128 HydrophobicContact CD-CD2 4.26Å; K124-L128 HydrophobicContact CG-CD2 3.82Å
125R71.7Confident76.9Confident175 Ų175114.2 Ų114.266%0.6657%0.569SS**SBendtrans-82.9-27.3-175.6-74.9-170.2-74.3-176.1-1.4113.3Q123Q123-R125 WeakPolarHBondContact O-CG 3.45Å; Q123-R125 PolarHBondContact O-N 3.41Å
126Y78.2Confident75.3Confident181 Ų181116.3 Ų116.371%0.7159%0.588SS**SBendtrans-130.9-25.1-171.4-56.1-73.4000113.7V120V120-Y126 HydrophobicContact CG1-CD2 4.5Å
127M78.3Confident73.4Confident98 Ų98117.4 Ų117.448%0.48360%0.602SS.*  trans-148.1142.1-176.2-161.6176.6-175.600109.9V117 V120 T121V117-M127 HydrophobicContact CG1-SD 4.43Å; V120-M127 HydrophobicContact CG1-CB 4.28Å; T121-M127 HydrophobicContact CG2-CB 3.8Å; T121-M127 HydrophobicContact CG2-CG 3.7Å; T121-M127 HydrophobicContact CG2-SD 3.62Å
128L78.7Confident71.5Confident122 Ų122121 Ų12164%0.63961%0.614SS**  trans-128.3141.1175.9-68.5167.5000108K124 D130K124-L128 HydrophobicContact CB-CD2 3.85Å; K124-L128 HydrophobicContact CD-CD2 4.26Å; K124-L128 HydrophobicContact CG-CD2 3.82Å; L128-D130 PolarHBondContact O-N 2.93Å
129F75.6Confident69.6Low147 Ų147123.9 Ų123.965%0.64563%0.626SS**  trans-71.9112.6170.9-70-66.9000108.7T121T121-F129 HydrophobicContact CG2-CE1 4.11Å; T121-F129 HydrophobicContact CG2-CE2 4.04Å; T121-F129 HydrophobicContact CG2-CZ 3.81Å; T121-F129 VanDerWaalsContact OG1-CE2 3.26Å; T121-F129 WeakPolarHBondContact OG1-CE2 3.39Å; T121-F129 VanDerWaalsContact OG1-CZ 3.32Å; T121-F129 WeakPolarHBondContact OG1-CZ 3.29Å
130D77.7Confident68Low133 Ų133125.2 Ų125.271%0.71164%0.638SS**  trans-83131170.3-167.913.1000109.5L128 V132L128-D130 PolarHBondContact O-N 2.93Å; D130-V132 VanDerWaalsContact C-N 3.35Å; D130-V132 PolarHBondContact O-N 2.95Å
131T74.4Confident66.4Low128 Ų128131.8 Ų131.879%0.78566%0.657SS**  trans-82.783.7177.853.50000108.6S133T131-S133 PolarHBondContact O-N 2.94Å
132V66.1Low65Low120 Ų120135.9 Ų135.973%0.72768%0.684SS**  trans-77117.2169.9-175.10000108.4D130 R134D130-V132 VanDerWaalsContact C-N 3.35Å; D130-V132 PolarHBondContact O-N 2.95Å; V132-R134 PolarHBondContact O-N 2.84Å
133S58.1Low63.6Low112 Ų112137.6 Ų137.678%0.78369%0.689SS**  trans-54.3109.6170.9-56.60000109.4T131 D135T131-S133 PolarHBondContact O-N 2.94Å; S133-D135 PolarHBondContact O-N 3.36Å
134R52.1Low62.5Low206 Ų206137.5 Ų137.578%0.77769%0.692SS**  trans-68111.5175.2-177.9176.8-179.7171.20.5108.7V132V132-R134 PolarHBondContact O-N 2.84Å
135D46.3Very low61.6Low140 Ų140137.9 Ų137.975%0.74969%0.693SS**  trans-57.5126.9163.9-93.6-42.1000108.5S133 S137S133-D135 PolarHBondContact O-N 3.36Å; D135-S137 PolarHBondContact O-N 2.86Å
136P56.7Low61Low124 Ų124136 Ų13681%0.80569%0.692SS**THydrogen-bonded Turntrans-70.517.1-172.627.5-34.6000114.7
137S51.4Low60.1Low109 Ų109132.3 Ų132.376%0.76268%0.684SS**THydrogen-bonded Turntrans-97.35.6-165.7-1610000116.3D135D135-S137 PolarHBondContact O-N 2.86Å
138E48.9Very low59.2Low136 Ų136136.9 Ų136.964%0.63670%0.696SS**  trans-120.864.9176.7-75.8-99.4154.400110.2N140E138-N140 PolarHBondContact O-N 3.49Å; E138-N140 PolarHBondContact OE2-ND2 2.85Å
139E47.3Very low58.6Low147 Ų147135.6 Ų135.669%0.68769%0.694SS**  trans-77.579.1165.3-166.9-178.7147.300108.8R141E139-R141 HydrophobicContact CG-CG 4.32Å; E139-R141 PolarHBondContact O-N 3.4Å; E139-R141 IonicContact OE1-NE 3.51Å
140N53.1Low58Low135 Ų135137.5 Ų137.572%0.72270%0.696SS**  trans-6487.3165.6-94.7-64.9000108.7E138 P142E138-N140 PolarHBondContact O-N 3.49Å; E138-N140 PolarHBondContact OE2-ND2 2.85Å; N140-P142 WeakPolarHBondContact O-CD 3.44Å
141R53.6Low57.5Low197 Ų197136.9 Ų136.974%0.74369%0.689SS**  trans-60.2118171.1-76.5-176.4175.1175.10.9108.3E139 N143E139-R141 HydrophobicContact CG-CG 4.32Å; E139-R141 PolarHBondContact O-N 3.4Å; E139-R141 IonicContact OE1-NE 3.51Å; R141-N143 PolarHBondContact O-N 2.99Å
142P55.5Low57.3Low93 Ų93138.3 Ų138.360%0.60468%0.684SS**  trans-61.4133.4177.724.4-31.7000108.8N140 N144N140-P142 WeakPolarHBondContact O-CD 3.44Å; P142-N144 PolarHBondContact O-N 3.14Å
143N54.5Low57.7Low130 Ų130140.8 Ų140.870%0.69568%0.682SS**  trans-66.971.9175.9-97.7-27.9000110.5R141 K145 Q146R141-N143 PolarHBondContact O-N 2.99Å; N143-K145 PolarHBondContact O-N 3.25Å; N143-Q146 PolarHBondContact O-N 3.32Å
144N58.4Low58.4Low96 Ų96141.7 Ų141.751%0.51367%0.672SS.*Hα-helixtrans-60.6-9.4-178.9-71.6-25.2000113.5P142 Q146 L147 R148P142-N144 PolarHBondContact O-N 3.14Å; N144-Q146 VanDerWaalsContact C-N 3.33Å; N144-Q146 PolarHBondContact O-N 3.27Å; N144-L147 PolarHBondContact O-N 2.81Å; N144-R148 PolarHBondContact O-N 2.76Å; N144-R148 VanDerWaalsContact O-N 3.15Å
145K57.8Low59.5Low166 Ų166135.9 Ų135.972%0.72266%0.659SS**Hα-helixtrans-61.9-38.1175.1-64.6-177.8-178.6176.50112N143 T149N143-K145 PolarHBondContact O-N 3.25Å; K145-T149 PolarHBondContact O-N 2.98Å; K145-T149 PolarHBondContact O-OG1 3.36Å
146Q58.5Low60.6Low136 Ų136132.7 Ų132.764%0.63664%0.64SS**Hα-helixtrans-72.7-39.3179.5-67-167.811.200112.2N143 N144 T149 R150N143-Q146 PolarHBondContact O-N 3.32Å; N144-Q146 VanDerWaalsContact C-N 3.33Å; N144-Q146 PolarHBondContact O-N 3.27Å; Q146-T149 PolarHBondContact O-N 2.93Å; Q146-R150 PolarHBondContact O-N 2.79Å
147L59.4Low61.2Low104 Ų104132.5 Ų132.555%0.54563%0.626SS.*Hα-helixtrans-66.4-39.8179.9-15077.1000111.9N144 R150 H151N144-L147 PolarHBondContact O-N 2.81Å; L147-R150 PolarHBondContact O-N 3.04Å; L147-H151 PolarHBondContact O-N 3.43Å; L147-H151 PolarHBondContact O-ND1 3.43Å
148R59.9Low61.7Low193 Ų193131.8 Ų131.873%0.72861%0.611SS**Hα-helixtrans-63.1-41.2173.8-77-175.8165.4-167.2-3.6112.3N144 H151 F152N144-R148 PolarHBondContact O-N 2.76Å; N144-R148 VanDerWaalsContact O-N 3.15Å; R148-H151 PolarHBondContact O-N 3.43Å; R148-F152 PolarHBondContact O-N 2.85Å
149T64.9Low62.5Low96 Ų96132.6 Ų132.659%0.58961%0.608SS**Hα-helixtrans-65.8-41.2179.1-51.10000111.4K145 Q146 F152 Y153K145-T149 PolarHBondContact O-N 2.98Å; K145-T149 PolarHBondContact O-OG1 3.36Å; Q146-T149 PolarHBondContact O-N 2.93Å; T149-F152 PolarHBondContact O-N 2.72Å; T149-Y153 PolarHBondContact O-N 3.39Å
150R64Low63.1Low186 Ų186130.9 Ų130.970%0.70260%0.6SS**Hα-helixtrans-64.9-41.9174.9-74.8-173.9176.3177.90.1112.7Q146 L147 Y153 F154Q146-R150 PolarHBondContact O-N 2.79Å; L147-R150 PolarHBondContact O-N 3.04Å; R150-Y153 PolarHBondContact O-N 3.01Å; R150-F154 WeakPolarHBondContact O-CB 3.48Å; R150-F154 PolarHBondContact O-N 2.9Å
151H66.3Low63.2Low120 Ų120129.8 Ų129.856%0.55659%0.592SS**Hα-helixtrans-61-45174.6-81.880.9000111.5L147 R148 Y153 F154 V155L147-H151 PolarHBondContact O-N 3.43Å; L147-H151 PolarHBondContact O-ND1 3.43Å; R148-H151 PolarHBondContact O-N 3.43Å; H151-Y153 PolarHBondContact O-N 2.81Å; H151-F154 PolarHBondContact O-N 2.98Å; H151-V155 WeakPolarHBondContact O-CB 3.22Å; H151-V155 VanDerWaalsContact O-CG2 3.27Å; H151-V155 WeakPolarHBondContact O-CG2 3.45Å; H151-V155 PolarHBondContact O-N 3.15Å
152F71Confident63.3Low158 Ų158124.4 Ų124.469%0.69359%0.585SS**Hα-helixtrans-61.4-44.2176.3-104.8-83.6000112.3R148 T149 F154 V155 E156R148-F152 PolarHBondContact O-N 2.85Å; T149-F152 PolarHBondContact O-N 2.72Å; F152-F154 VanDerWaalsContact C-N 3.35Å; F152-F154 PolarHBondContact O-N 3.22Å; F152-V155 PolarHBondContact O-N 3.27Å; F152-E156 VanDerWaalsContact O-CB 3.23Å; F152-E156 WeakPolarHBondContact O-CB 3.5Å; F152-E156 PolarHBondContact O-N 3.46Å
153Y73.3Confident63.4Low173 Ų173124.8 Ų124.868%0.67859%0.59SS**Hα-helixtrans-65-38.2178.1-164.4-93.5000112.2T149 R150 H151 K157T149-Y153 PolarHBondContact O-N 3.39Å; R150-Y153 PolarHBondContact O-N 3.01Å; H151-Y153 PolarHBondContact O-N 2.81Å; Y153-K157 WeakPolarHBondContact O-CB 3.37Å; Y153-K157 PolarHBondContact O-N 3.01Å
154F73.7Confident62.9Low131 Ų131120.4 Ų120.458%0.57558%0.575SS**Hα-helixtrans-65.2-48.2174.9177.9-96.6000112R150 H151 F152 E156 K157 Q158R150-F154 WeakPolarHBondContact O-CB 3.48Å; R150-F154 PolarHBondContact O-N 2.9Å; H151-F154 PolarHBondContact O-N 2.98Å; F152-F154 VanDerWaalsContact C-N 3.35Å; F152-F154 PolarHBondContact O-N 3.22Å; F154-E156 PolarHBondContact O-N 2.87Å; F154-K157 PolarHBondContact O-N 2.73Å; F154-Q158 VanDerWaalsContact O-CB 3.29Å; F154-Q158 WeakPolarHBondContact O-CB 3.36Å; F154-Q158 PolarHBondContact O-N 3.36Å
155V74.2Confident62.4Low84 Ų84125.3 Ų125.351%0.50960%0.595SS.*Hα-helixtrans-63.4-41.9178.3172.40000110.9H151 F152 Q158 R159H151-V155 WeakPolarHBondContact O-CB 3.22Å; H151-V155 VanDerWaalsContact O-CG2 3.27Å; H151-V155 WeakPolarHBondContact O-CG2 3.45Å; H151-V155 PolarHBondContact O-N 3.15Å; F152-V155 PolarHBondContact O-N 3.27Å; V155-Q158 PolarHBondContact O-N 2.99Å; V155-R159 WeakPolarHBondContact O-CB 3.04Å; V155-R159 PolarHBondContact O-N 3.25Å
156E70.7Confident62.1Low73 Ų73121 Ų12134%0.34158%0.579SS.*Hα-helixtrans-69.1-40.2177.9-165.563.1-156.400111.3F152 F154 Q158 R159 Q160F152-E156 VanDerWaalsContact O-CB 3.23Å; F152-E156 WeakPolarHBondContact O-CB 3.5Å; F152-E156 PolarHBondContact O-N 3.46Å; F154-E156 PolarHBondContact O-N 2.87Å; E156-Q158 VanDerWaalsContact C-N 3.34Å; E156-Q158 PolarHBondContact O-N 2.83Å; E156-R159 PolarHBondContact O-N 2.96Å; E156-R159 IonicContact OE1-NH1 3.62Å; E156-R159 IonicContact OE2-NH1 3.5Å; E156-Q160 WeakPolarHBondContact O-CB 3.45Å; E156-Q160 WeakPolarHBondContact O-CG 3.37Å; E156-Q160 PolarHBondContact O-N 3.09Å
157K69Low62Low119 Ų119119.1 Ų119.152%0.51758%0.577SS.*Hα-helixtrans-63.8-39.2172.6-171.8177.1-177.91800111.5Y153 F154 Q160 M161Y153-K157 WeakPolarHBondContact O-CB 3.37Å; Y153-K157 PolarHBondContact O-N 3.01Å; F154-K157 PolarHBondContact O-N 2.73Å; K157-Q160 PolarHBondContact O-N 3.33Å; K157-M161 HydrophobicContact CG-CE 4.43Å; K157-M161 WeakPolarHBondContact O-CB 3.35Å; K157-M161 WeakPolarHBondContact O-CG 3.21Å; K157-M161 PolarHBondContact O-N 3.23Å
158Q62.6Low61.9Low95 Ų95120.2 Ų120.244%0.44459%0.59SS.*Hα-helixtrans-66-40.1175.3-175176.3-24.100111.2F154 V155 E156 M161 S162F154-Q158 VanDerWaalsContact O-CB 3.29Å; F154-Q158 WeakPolarHBondContact O-CB 3.36Å; F154-Q158 PolarHBondContact O-N 3.36Å; V155-Q158 PolarHBondContact O-N 2.99Å; E156-Q158 VanDerWaalsContact C-N 3.34Å; E156-Q158 PolarHBondContact O-N 2.83Å; Q158-M161 PolarHBondContact O-N 3.37Å; Q158-S162 WeakPolarHBondContact O-CB 3.46Å; Q158-S162 PolarHBondContact O-N 3.41Å; Q158-S162 PolarHBondContact O-OG 2.81Å
159R63.8Low62.1Low153 Ų153112.4 Ų112.458%0.57757%0.57SS**Hα-helixtrans-67.4-41.4174.2-178.7-177.9158.5-156.9-1.9111.9V155 E156 S162 S163V155-R159 WeakPolarHBondContact O-CB 3.04Å; V155-R159 PolarHBondContact O-N 3.25Å; E156-R159 PolarHBondContact O-N 2.96Å; E156-R159 IonicContact OE1-NH1 3.62Å; E156-R159 IonicContact OE2-NH1 3.5Å; R159-S162 CarbonylContact O-C 3.47Å; R159-S162 PolarHBondContact O-N 2.88Å; R159-S162 VanDerWaalsContact O-N 3.1Å; R159-S163 WeakPolarHBondContact O-CB 3.48Å; R159-S163 PolarHBondContact O-N 2.92Å
160Q59.9Low62.1Low110 Ų110111.7 Ų111.751%0.51456%0.557SS.*Hα-helixtrans-61.1-48.6172.7-75-179.540.700110E156 K157 S162 S163 G164E156-Q160 WeakPolarHBondContact O-CB 3.45Å; E156-Q160 WeakPolarHBondContact O-CG 3.37Å; E156-Q160 PolarHBondContact O-N 3.09Å; K157-Q160 PolarHBondContact O-N 3.33Å; Q160-S162 PolarHBondContact O-N 3.07Å; Q160-S162 VanDerWaalsContact O-N 3.13Å; Q160-S163 PolarHBondContact O-N 2.79Å; Q160-S163 VanDerWaalsContact O-N 3.08Å; Q160-G164 CarbonylContact O-C 3.42Å; Q160-G164 WeakPolarHBondContact O-CA 3.5Å; Q160-G164 PolarHBondContact O-N 2.78Å
161M55.6Low62.2Low113 Ų113106.8 Ų106.856%0.55755%0.55SS**Hα-helixtrans-58.6-30173.3-71.7-164.8-68.600112.9K157 Q158 L166K157-M161 HydrophobicContact CG-CE 4.43Å; K157-M161 WeakPolarHBondContact O-CB 3.35Å; K157-M161 WeakPolarHBondContact O-CG 3.21Å; K157-M161 PolarHBondContact O-N 3.23Å; Q158-M161 PolarHBondContact O-N 3.37Å; M161-L166 WeakPolarHBondContact O-CD1 3.36Å
162S57.2Low62.4Low84 Ų84102.4 Ų102.459%0.58753%0.533SS*.Hα-helixtrans-84.6-21.6177.9-52.40000114.1Q158 R159 Q160Q158-S162 WeakPolarHBondContact O-CB 3.46Å; Q158-S162 PolarHBondContact O-N 3.41Å; Q158-S162 PolarHBondContact O-OG 2.81Å; R159-S162 CarbonylContact O-C 3.47Å; R159-S162 PolarHBondContact O-N 2.88Å; R159-S162 VanDerWaalsContact O-N 3.1Å; Q160-S162 PolarHBondContact O-N 3.07Å; Q160-S162 VanDerWaalsContact O-N 3.13Å
163S55.8Low62.8Low101 Ų10195.7 Ų95.771%0.70650%0.504SS*.Hα-helixtrans-131.1-9.2-165.6-171.90000114.8R159 Q160R159-S163 WeakPolarHBondContact O-CB 3.48Å; R159-S163 PolarHBondContact O-N 2.92Å; Q160-S163 PolarHBondContact O-N 2.79Å; Q160-S163 VanDerWaalsContact O-N 3.08Å
164G44.9Very low63Low37 Ų3790.6 Ų90.638%0.38149%0.488SS..SBendtrans-155.6130.8-173.100000112.7Q160Q160-G164 CarbonylContact O-C 3.42Å; Q160-G164 WeakPolarHBondContact O-CA 3.5Å; Q160-G164 PolarHBondContact O-N 2.78Å
165Q48.3Very low63.2Low199 Ų19991.7 Ų91.793%0.9349%0.488SS*.SBendtrans79.26.7179.5-62-172.8-3000118.9V167Q165-V167 PolarHBondContact O-N 2.8Å
166L52.2Low63.5Low77 Ų7788.6 Ų88.640%0.40347%0.468SS..SBendtrans-79.6122.8157.6-63.9172.7000107.4M161 Y170M161-L166 WeakPolarHBondContact O-CD1 3.36Å; L166-Y170 HydrophobicContact CB-CD1 3.78Å; L166-Y170 HydrophobicContact CB-CG 4.01Å; L166-Y170 HydrophobicContact CD1-CD1 3.54Å; L166-Y170 HydrophobicContact CD1-CE1 3.72Å; L166-Y170 HydrophobicContact CD2-CD1 3.9Å; L166-Y170 HydrophobicContact CD2-CE1 3.89Å; L166-Y170 HydrophobicContact CD2-CG 4.35Å; L166-Y170 HydrophobicContact CG-CD1 3.94Å; L166-Y170 HydrophobicContact CG-CE1 4.28Å
167V56.1Low64.1Low96 Ų9685.7 Ų85.758%0.58246%0.455SS*.  trans-33.7133.2-179.7176.40000110.4Q165 G169 Y170Q165-V167 PolarHBondContact O-N 2.8Å; V167-G169 PolarHBondContact O-N 2.72Å; V167-Y170 WeakPolarHBondContact O-CB 3.15Å; V167-Y170 PolarHBondContact O-N 3.02Å
168P56.1Low64.5Low127 Ų12783.8 Ų83.883%0.82545%0.453SS*.THydrogen-bonded Turntrans-47.7115175.8-24.432.1000109.7
169G64.3Low65.4Low29 Ų2983.4 Ų83.430%0.29945%0.451SS..THydrogen-bonded Turntrans102.5-1.9-174.700000116.5V167 S172 F173V167-G169 PolarHBondContact O-N 2.72Å; G169-S172 VanDerWaalsContact CA-OG 3.28Å; G169-S172 WeakPolarHBondContact CA-OG 3.41Å; G169-S172 PolarHBondContact O-N 3.33Å; G169-S172 PolarHBondContact O-OG 3.35Å; G169-F173 VanDerWaalsContact O-CB 3.27Å; G169-F173 WeakPolarHBondContact O-CB 3.49Å; G169-F173 PolarHBondContact O-N 3.01Å
170Y65.9Low66.3Low80 Ų8076.1 Ų76.131%0.31442%0.424SS..Hα-helixtrans-68.9-40175.5-175.4-93.8000112.2L166 V167 S172 F173 L174L166-Y170 HydrophobicContact CB-CD1 3.78Å; L166-Y170 HydrophobicContact CB-CG 4.01Å; L166-Y170 HydrophobicContact CD1-CD1 3.54Å; L166-Y170 HydrophobicContact CD1-CE1 3.72Å; L166-Y170 HydrophobicContact CD2-CD1 3.9Å; L166-Y170 HydrophobicContact CD2-CE1 3.89Å; L166-Y170 HydrophobicContact CD2-CG 4.35Å; L166-Y170 HydrophobicContact CG-CD1 3.94Å; L166-Y170 HydrophobicContact CG-CE1 4.28Å; V167-Y170 WeakPolarHBondContact O-CB 3.15Å; V167-Y170 PolarHBondContact O-N 3.02Å; Y170-S172 VanDerWaalsContact C-N 3.34Å; Y170-S172 PolarHBondContact O-N 3.31Å; Y170-F173 WeakPolarHBondContact O-CB 3.35Å; Y170-F173 PolarHBondContact O-N 2.9Å; Y170-L174 HydrophobicContact CD1-CD1 3.79Å; Y170-L174 HydrophobicContact CD1-CG 4.04Å; Y170-L174 HydrophobicContact CE1-CD1 3.19Å; Y170-L174 HydrophobicContact CE1-CD2 4.36Å; Y170-L174 HydrophobicContact CE1-CG 3.7Å; Y170-L174 WeakPolarHBondContact O-CG 3.4Å; Y170-L174 PolarHBondContact O-N 3.26Å
171C65Low67.3Low84 Ų8478.2 Ų78.257%0.56843%0.427SS*.Hα-helixtrans-65.4-36.3173.9-64.70000112R175C171-R175 VanDerWaalsContact O-CB 3.29Å; C171-R175 WeakPolarHBondContact O-CB 3.34Å; C171-R175 PolarHBondContact O-N 3.21Å
172S71.9Confident68.4Low28 Ų2880.9 Ų80.920%0.19644%0.436CS..Hα-helixtrans-70.6-39.7174.761.50000111.6G169 Y170 R175 E176 T233G169-S172 VanDerWaalsContact CA-OG 3.28Å; G169-S172 WeakPolarHBondContact CA-OG 3.41Å; G169-S172 PolarHBondContact O-N 3.33Å; G169-S172 PolarHBondContact O-OG 3.35Å; Y170-S172 VanDerWaalsContact C-N 3.34Å; Y170-S172 PolarHBondContact O-N 3.31Å; S172-R175 PolarHBondContact O-N 3.34Å; S172-E176 WeakPolarHBondContact O-CG 3.36Å; S172-E176 PolarHBondContact O-N 3.29Å; S172-T233 WeakPolarHBondContact CB-OG1 3.24Å; S172-T233 PolarHBondContact OG-OG1 2.9Å
173F78.7Confident69.2Low17 Ų1779.9 Ų79.98%0.07544%0.438CS..Hα-helixtrans-57.3-50.9171.1169.9-95.9000111.6G169 Y170 R175 E176 L177 I193 Q209 T233 L234G169-F173 VanDerWaalsContact O-CB 3.27Å; G169-F173 WeakPolarHBondContact O-CB 3.49Å; G169-F173 PolarHBondContact O-N 3.01Å; Y170-F173 WeakPolarHBondContact O-CB 3.35Å; Y170-F173 PolarHBondContact O-N 2.9Å; F173-R175 VanDerWaalsContact C-N 3.32Å; F173-R175 PolarHBondContact O-N 3.22Å; F173-E176 PolarHBondContact O-N 3.48Å; F173-L177 HydrophobicContact CE1-CD2 3.96Å; F173-L177 HydrophobicContact CZ-CD2 4.14Å; F173-L177 WeakPolarHBondContact O-CB 3.41Å; F173-L177 PolarHBondContact O-N 3.08Å; F173-I193 HydrophobicContact CZ-CD1 4.18Å; F173-Q209 HydrophobicContact CB-CG 4.36Å; F173-Q209 HydrophobicContact CD2-CB 3.68Å; F173-Q209 HydrophobicContact CD2-CG 3.7Å; F173-Q209 HydrophobicContact CE2-CB 3.7Å; F173-Q209 HydrophobicContact CE2-CG 4.25Å; F173-Q209 HydrophobicContact CG-CB 4.39Å; F173-Q209 HydrophobicContact CG-CG 4.09Å; F173-Q209 HydrophobicContact CZ-CB 4.42Å; F173-T233 HydrophobicContact CB-CG2 3.97Å; F173-L234 HydrophobicContact CD2-CD2 3.35Å; F173-L234 HydrophobicContact CE2-CD2 3.28Å; F173-L234 HydrophobicContact CG-CD2 4.35Å; F173-L234 HydrophobicContact CZ-CD2 4.25Å
174L76.5Confident70.2Confident66 Ų6676.2 Ų76.235%0.34641%0.409SS..Hα-helixtrans-65-36.5179.6-74.2-172.4000112.4Y170 L177 T178Y170-L174 HydrophobicContact CD1-CD1 3.79Å; Y170-L174 HydrophobicContact CD1-CG 4.04Å; Y170-L174 HydrophobicContact CE1-CD1 3.19Å; Y170-L174 HydrophobicContact CE1-CD2 4.36Å; Y170-L174 HydrophobicContact CE1-CG 3.7Å; Y170-L174 WeakPolarHBondContact O-CG 3.4Å; Y170-L174 PolarHBondContact O-N 3.26Å; L174-L177 HydrophobicContact CD2-CD2 4.34Å; L174-L177 PolarHBondContact O-N 3.48Å; L174-T178 WeakPolarHBondContact O-CB 3.49Å; L174-T178 PolarHBondContact O-N 3.23Å; L174-T178 PolarHBondContact O-OG1 3.07Å
175R78.3Confident71.7Confident153 Ų15378.4 Ų78.458%0.57741%0.406SS*.Hα-helixtrans-62.8-51.6174.9178.2-178.259.2173.4-1111.2C171 S172 F173 L177 T178 E179C171-R175 VanDerWaalsContact O-CB 3.29Å; C171-R175 WeakPolarHBondContact O-CB 3.34Å; C171-R175 PolarHBondContact O-N 3.21Å; S172-R175 PolarHBondContact O-N 3.34Å; F173-R175 VanDerWaalsContact C-N 3.32Å; F173-R175 PolarHBondContact O-N 3.22Å; R175-L177 VanDerWaalsContact C-N 3.3Å; R175-L177 PolarHBondContact O-N 2.9Å; R175-T178 WeakPolarHBondContact O-CB 3.28Å; R175-T178 PolarHBondContact O-N 3.17Å; R175-T178 VanDerWaalsContact O-N 3.15Å; R175-E179 PolarHBondContact O-N 3.13Å
176E81.5Confident73.2Confident19 Ų1970.5 Ų70.59%0.08937%0.37CS..Hα-helixtrans-63.2-37.5176.3-73.2178.3-139.500111.4S172 F173 T178 E179 L180 S232 T233 L234S172-E176 WeakPolarHBondContact O-CG 3.36Å; S172-E176 PolarHBondContact O-N 3.29Å; F173-E176 PolarHBondContact O-N 3.48Å; E176-T178 VanDerWaalsContact C-N 3.28Å; E176-T178 PolarHBondContact O-N 3.42Å; E176-E179 PolarHBondContact O-N 2.92Å; E176-L180 WeakPolarHBondContact O-CB 3.37Å; E176-L180 PolarHBondContact O-N 3.27Å; E176-S232 WeakPolarHBondContact OE2-CA 3.12Å; E176-S232 WeakPolarHBondContact OE2-CB 3.11Å; E176-T233 VanDerWaalsContact CD-N 3.28Å; E176-T233 WeakPolarHBondContact OE1-CB 3.23Å; E176-T233 PolarHBondContact OE1-N 3.49Å; E176-T233 PolarHBondContact OE1-OG1 2.84Å; E176-T233 PolarHBondContact OE2-N 3.25Å; E176-L234 HydrophobicContact CB-CD1 3.54Å; E176-L234 HydrophobicContact CB-CG 3.64Å; E176-L234 WeakPolarHBondContact OE2-CG 3.49Å; E176-L234 PolarHBondContact OE2-N 2.92Å
177L82.2Confident74.4Confident13 Ų1370.8 Ų70.87%0.06837%0.368CS..Hα-helixtrans-65.3-34.2175.8-172.669.4000111.8F173 L174 R175 L180 R181 L186 I193 V207F173-L177 HydrophobicContact CE1-CD2 3.96Å; F173-L177 HydrophobicContact CZ-CD2 4.14Å; F173-L177 WeakPolarHBondContact O-CB 3.41Å; F173-L177 PolarHBondContact O-N 3.08Å; L174-L177 HydrophobicContact CD2-CD2 4.34Å; L174-L177 PolarHBondContact O-N 3.48Å; R175-L177 VanDerWaalsContact C-N 3.3Å; R175-L177 PolarHBondContact O-N 2.9Å; L177-L180 HydrophobicContact CD1-CD2 4.24Å; L177-R181 WeakPolarHBondContact O-CB 3.42Å; L177-R181 PolarHBondContact O-N 2.82Å; L177-L186 HydrophobicContact CD1-CD1 3.82Å; L177-I193 HydrophobicContact CD1-CD1 3.95Å; L177-I193 HydrophobicContact CD1-CG2 4.44Å; L177-I193 HydrophobicContact CD2-CD1 3.85Å; L177-V207 HydrophobicContact CD1-CG1 4.28Å
178T78Confident75.5Confident78 Ų7874.3 Ų74.348%0.47938%0.375SS..Hα-helixtrans-68.2-42.4174.6-60.60000110.5L174 R175 E176 R181 K182L174-T178 WeakPolarHBondContact O-CB 3.49Å; L174-T178 PolarHBondContact O-N 3.23Å; L174-T178 PolarHBondContact O-OG1 3.07Å; R175-T178 WeakPolarHBondContact O-CB 3.28Å; R175-T178 PolarHBondContact O-N 3.17Å; R175-T178 VanDerWaalsContact O-N 3.15Å; E176-T178 VanDerWaalsContact C-N 3.28Å; E176-T178 PolarHBondContact O-N 3.42Å; T178-R181 PolarHBondContact O-N 2.99Å; T178-K182 WeakPolarHBondContact O-CG 3.45Å; T178-K182 PolarHBondContact O-N 3.5Å
179E82.2Confident76.2Confident87 Ų8769.4 Ų69.441%0.40735%0.345SS..Hα-helixtrans-63.1-44173.4-71.6171.9-177.600111.7R175 E176 R181 K182 W284R175-E179 PolarHBondContact O-N 3.13Å; E176-E179 PolarHBondContact O-N 2.92Å; E179-R181 VanDerWaalsContact C-N 3.31Å; E179-R181 PolarHBondContact O-N 2.85Å; E179-K182 WeakPolarHBondContact O-CB 3.25Å; E179-K182 PolarHBondContact O-N 2.78Å; E179-K182 VanDerWaalsContact O-N 3.07Å; E179-W284 HydrophobicContact CB-CH2 4.13Å; E179-W284 HydrophobicContact CB-CZ2 3.78Å
180L82.3Confident76.6Confident0 Ų077.7 Ų77.70%037%0.367CS..Hα-helixtrans-57.5-44.1175.1-178.170.1000111.3E176 L177 K182 G183 W184 L186 F205 V207 L234 I236 W284 L288E176-L180 WeakPolarHBondContact O-CB 3.37Å; E176-L180 PolarHBondContact O-N 3.27Å; L177-L180 HydrophobicContact CD1-CD2 4.24Å; L180-K182 PolarHBondContact O-N 2.75Å; L180-G183 PolarHBondContact O-N 2.81Å; L180-W184 HydrophobicContact CD1-CB 4.11Å; L180-W184 HydrophobicContact CD1-CG 3.9Å; L180-W184 HydrophobicContact CG-CB 4.4Å; L180-W184 WeakPolarHBondContact O-CB 3.48Å; L180-W184 PolarHBondContact O-N 3.24Å; L180-L186 HydrophobicContact CB-CD1 4.31Å; L180-L186 HydrophobicContact CD2-CD1 3.69Å; L180-L186 HydrophobicContact CD2-CD2 3.71Å; L180-L186 HydrophobicContact CD2-CG 4.32Å; L180-L186 HydrophobicContact CG-CD1 3.87Å; L180-L186 HydrophobicContact CG-CD2 4.01Å; L180-L186 HydrophobicContact CG-CG 4.4Å; L180-F205 HydrophobicContact CD1-CE2 4.31Å; L180-F205 HydrophobicContact CD1-CZ 4.2Å; L180-F205 HydrophobicContact CD2-CE2 4.2Å; L180-V207 HydrophobicContact CD2-CG1 4.28Å; L180-V207 HydrophobicContact CD2-CG2 3.72Å; L180-L234 HydrophobicContact CB-CD1 4.32Å; L180-L234 HydrophobicContact CD2-CD1 4.23Å; L180-I236 HydrophobicContact CD1-CD1 4.3Å; L180-W284 HydrophobicContact CB-CE3 4.41Å; L180-W284 HydrophobicContact CB-CH2 4.03Å; L180-W284 HydrophobicContact CB-CZ2 4.37Å; L180-W284 HydrophobicContact CB-CZ3 4.05Å; L180-W284 HydrophobicContact CD1-CD2 4.3Å; L180-W284 HydrophobicContact CD1-CE3 3.42Å; L180-W284 VanDerWaalsContact CD1-CE3 3.42Å; L180-W284 HydrophobicContact CD1-CH2 4.25Å; L180-W284 HydrophobicContact CD1-CZ3 3.41Å; L180-W284 VanDerWaalsContact CD1-CZ3 3.41Å; L180-W284 HydrophobicContact CG-CE3 4.48Å; L180-W284 HydrophobicContact CG-CZ3 4.33Å; L180-L288 HydrophobicContact CD1-CD1 3.36Å
181R79.7Confident76.9Confident155 Ų15581.9 Ų81.959%0.58540%0.395SS*.Hα-helixtrans-64.1-21.6178.2-178.4174.6-82.5136.5-5.9113.6L177 T178 E179 G183 L186L177-R181 WeakPolarHBondContact O-CB 3.42Å; L177-R181 PolarHBondContact O-N 2.82Å; T178-R181 PolarHBondContact O-N 2.99Å; E179-R181 VanDerWaalsContact C-N 3.31Å; E179-R181 PolarHBondContact O-N 2.85Å; R181-G183 VanDerWaalsContact C-N 3.33Å; R181-L186 HydrophobicContact CB-CD1 4.12Å
182K78.6Confident77.5Confident169 Ų16979.9 Ų79.974%0.73538%0.378SS*.Hα-helixtrans-68.5-31.7177.5-67.5175.5-177.4175.80112.7T178 E179 L180T178-K182 WeakPolarHBondContact O-CG 3.45Å; T178-K182 PolarHBondContact O-N 3.5Å; E179-K182 WeakPolarHBondContact O-CB 3.25Å; E179-K182 PolarHBondContact O-N 2.78Å; E179-K182 VanDerWaalsContact O-N 3.07Å; L180-K182 PolarHBondContact O-N 2.75Å
183G75.1Confident77.9Confident62 Ų6280.1 Ų80.164%0.63938%0.377SS*.Hα-helixtrans-113.6-21.4-17700000114.7L180 R181L180-G183 PolarHBondContact O-N 2.81Å; R181-G183 VanDerWaalsContact C-N 3.33Å
184W77.4Confident78.1Confident25 Ų2580.5 Ų80.510%0.09538%0.38CS..SBendtrans-125.7142.8-170.7-56.286.4000111.5L180 L186 L197 F205 L288 Q292L180-W184 HydrophobicContact CD1-CB 4.11Å; L180-W184 HydrophobicContact CD1-CG 3.9Å; L180-W184 HydrophobicContact CG-CB 4.4Å; L180-W184 WeakPolarHBondContact O-CB 3.48Å; L180-W184 PolarHBondContact O-N 3.24Å; W184-L186 HydrophobicContact CB-CD2 4.46Å; W184-L186 PolarHBondContact O-N 2.96Å; W184-L197 HydrophobicContact CE3-CD2 4.07Å; W184-L197 HydrophobicContact CH2-CD2 4.02Å; W184-L197 HydrophobicContact CZ3-CB 4.39Å; W184-L197 HydrophobicContact CZ3-CD2 3.39Å; W184-L197 HydrophobicContact CZ3-CG 4.43Å; W184-F205 HydrophobicContact CB-CE1 4.39Å; W184-F205 HydrophobicContact CB-CZ 4Å; W184-F205 HydrophobicContact CD2-CE1 4.48Å; W184-F205 HydrophobicContact CD2-CZ 4.49Å; W184-F205 AromaticContact CE3-CE1 4Å; W184-F205 HydrophobicContact CE3-CE1 4Å; W184-F205 HydrophobicContact CE3-CZ 4.45Å; W184-F205 HydrophobicContact CG-CZ 4.31Å; W184-L288 HydrophobicContact CD2-CB 4.36Å; W184-L288 HydrophobicContact CD2-CD1 3.74Å; W184-L288 HydrophobicContact CE3-CD1 4.34Å; W184-L288 HydrophobicContact CG-CD1 3.97Å; W184-L288 HydrophobicContact CH2-CB 3.4Å; W184-L288 VanDerWaalsContact CH2-CB 3.4Å; W184-L288 HydrophobicContact CH2-CG 4.44Å; W184-L288 WeakPolarHBondContact CH2-O 3.28Å; W184-L288 HydrophobicContact CZ2-CB 3.22Å; W184-L288 HydrophobicContact CZ2-CD1 4.01Å; W184-L288 HydrophobicContact CZ2-CG 4.24Å; W184-L288 HydrophobicContact CZ3-CB 4.1Å; W184-Q292 HydrophobicContact CH2-CB 4.27Å; W184-Q292 HydrophobicContact CH2-CG 3.42Å; W184-Q292 VanDerWaalsContact CH2-CG 3.42Å; W184-Q292 HydrophobicContact CZ3-CG 3.61Å
185R75.2Confident78.3Confident82 Ų8277.4 Ų77.431%0.30936%0.363SS..EExtended strand (participates in β ladder)trans-81.9120.6-179.6-46.7-18069.6-157.4-2.6108.3E29 G195 D196E29-R185 VanDerWaalsContact O-CZ 3.26Å; E29-R185 PolarHBondContact O-NH1 3.09Å; E29-R185 PolarHBondContact O-NH2 3.36Å; R185-G195 CarbonylContact O-C 3.49Å; R185-G195 WeakPolarHBondContact O-CA 3.35Å; R185-D196 HydrophobicContact CB-CB 4.15Å; R185-D196 IonicContact NH1-OD2 3.02Å; R185-D196 PolarHBondContact O-N 3.19Å
186L80.6Confident78.4Confident33 Ų3371.4 Ų71.417%0.17334%0.343CS..EExtended strand (participates in β ladder)trans-119.1136.4-177.3-53.9178000111.3L177 L180 R181 W184 I193 L194 F205 V207L177-L186 HydrophobicContact CD1-CD1 3.82Å; L180-L186 HydrophobicContact CB-CD1 4.31Å; L180-L186 HydrophobicContact CD2-CD1 3.69Å; L180-L186 HydrophobicContact CD2-CD2 3.71Å; L180-L186 HydrophobicContact CD2-CG 4.32Å; L180-L186 HydrophobicContact CG-CD1 3.87Å; L180-L186 HydrophobicContact CG-CD2 4.01Å; L180-L186 HydrophobicContact CG-CG 4.4Å; R181-L186 HydrophobicContact CB-CD1 4.12Å; W184-L186 HydrophobicContact CB-CD2 4.46Å; W184-L186 PolarHBondContact O-N 2.96Å; L186-I193 HydrophobicContact CB-CG2 4.21Å; L186-L194 CarbonylContact C-O 3.59Å; L186-L194 VanDerWaalsContact CA-O 3.28Å; L186-L194 WeakPolarHBondContact CA-O 3.45Å; L186-F205 HydrophobicContact CD2-CE2 4.11Å; L186-F205 HydrophobicContact CD2-CZ 3.8Å; L186-V207 HydrophobicContact CD2-CG2 4.46Å
187K76.7Confident78.1Confident84 Ų8470.6 Ų70.637%0.36534%0.339SS..EExtended strand (participates in β ladder)trans-125.5126174.1-178.7164.6176.7169.20110V26 A27 L194V26-K187 HydrophobicContact CG1-CD 3.56Å; V26-K187 VanDerWaalsContact CG1-CE 3.41Å; V26-K187 HydrophobicContact CG1-CG 4.5Å; A27-K187 PolarHBondContact O-NZ 3.3Å; K187-L194 PolarHBondContact N-O 2.93Å; K187-L194 PolarHBondContact O-N 3.34Å
188K78.7Confident77.3Confident170 Ų17071.3 Ų71.374%0.73935%0.35SS*.EExtended strand (participates in β ladder)trans-80.3123.1171.9-173-177.3176.9-173.30108.9R190K188-R190 WeakPolarHBondContact CE-O 3.36Å
189A71.7Confident76.3Confident23 Ų2372 Ų7219%0.1935%0.346CS..EExtended strand (participates in β ladder)trans-124.3108.5174.200000108.9N191 I192 L194A189-N191 PolarHBondContact O-N 3.32Å; A189-N191 VanDerWaalsContact O-N 3.09Å; A189-I192 CarbonylContact C-O 3.44Å; A189-I192 HydrophobicContact CB-CG1 4.24Å; A189-I192 PolarHBondContact N-O 2.8Å; A189-I192 WeakPolarHBondContact O-CG1 3.44Å; A189-I192 PolarHBondContact O-N 3.05Å; A189-I192 VanDerWaalsContact O-O 3.08Å; A189-L194 HydrophobicContact CB-CD1 3.94Å
190R71.5Confident75Confident204 Ų20479.2 Ų79.277%0.7737%0.37SS*.THydrogen-bonded Turntrans52.3-113.6-173.7-59.8179.4176.7-174.1-3.6111.5K188K188-R190 WeakPolarHBondContact CE-O 3.36Å
191N74Confident73.4Confident168 Ų16883.1 Ų83.190%0.89840%0.398SS*.THydrogen-bonded Turntrans-99.67.6-178.1-65.6-10.6000113.2A189A189-N191 PolarHBondContact O-N 3.32Å; A189-N191 VanDerWaalsContact O-N 3.09Å
192I77.2Confident71.9Confident41 Ų4182.2 Ų82.221%0.2141%0.413CS..EExtended strand (participates in β ladder)trans-121147.1179.960.4167.1000110.9A189 L194 L206A189-I192 CarbonylContact C-O 3.44Å; A189-I192 HydrophobicContact CB-CG1 4.24Å; A189-I192 PolarHBondContact N-O 2.8Å; A189-I192 WeakPolarHBondContact O-CG1 3.44Å; A189-I192 PolarHBondContact O-N 3.05Å; A189-I192 VanDerWaalsContact O-O 3.08Å; I192-L194 HydrophobicContact CD1-CD1 4.45Å; I192-L194 HydrophobicContact CD1-CD2 3.93Å; I192-L194 HydrophobicContact CD1-CG 4.13Å; I192-L206 HydrophobicContact CB-CD1 4.07Å; I192-L206 HydrophobicContact CB-CG 4.41Å; I192-L206 HydrophobicContact CD1-CD1 3.78Å; I192-L206 HydrophobicContact CG2-CD1 4.09Å
193I80Confident71Confident33 Ų3376 Ų7617%0.16939%0.388CS..EExtended strand (participates in β ladder)trans-104.4116.7171.2-61.8171.3000106.4F173 L177 L186 V207F173-I193 HydrophobicContact CZ-CD1 4.18Å; L177-I193 HydrophobicContact CD1-CD1 3.95Å; L177-I193 HydrophobicContact CD1-CG2 4.44Å; L177-I193 HydrophobicContact CD2-CD1 3.85Å; L186-I193 HydrophobicContact CB-CG2 4.21Å; I193-V207 HydrophobicContact CB-CB 4.02Å; I193-V207 HydrophobicContact CG2-CB 4.09Å; I193-V207 HydrophobicContact CG2-CG2 4.3Å; I193-V207 PolarHBondContact O-N 3.01Å
194L81.5Confident70.4Confident26 Ų2675 Ų7514%0.13637%0.374CS..EExtended strand (participates in β ladder)trans-93.5142.5173.7-64.5170.2000108.4V26 L186 K187 A189 I192 F205 L206V26-L194 HydrophobicContact CB-CD1 4.48Å; V26-L194 HydrophobicContact CG1-CD1 4.4Å; V26-L194 HydrophobicContact CG2-CD1 4.31Å; L186-L194 CarbonylContact C-O 3.59Å; L186-L194 VanDerWaalsContact CA-O 3.28Å; L186-L194 WeakPolarHBondContact CA-O 3.45Å; K187-L194 PolarHBondContact N-O 2.93Å; K187-L194 PolarHBondContact O-N 3.34Å; A189-L194 HydrophobicContact CB-CD1 3.94Å; I192-L194 HydrophobicContact CD1-CD1 4.45Å; I192-L194 HydrophobicContact CD1-CD2 3.93Å; I192-L194 HydrophobicContact CD1-CG 4.13Å; L194-F205 CarbonylContact C-O 3.48Å; L194-F205 WeakPolarHBondContact CA-O 3.44Å; L194-L206 HydrophobicContact CD2-CB 4.39Å; L194-L206 HydrophobicContact CD2-CD1 4.34Å
195G81.9Confident70Confident0 Ų073.9 Ų73.90%037%0.369CS..EExtended strand (participates in β ladder)trans-123.4155170.700000111.2R185 A204 F205R185-G195 CarbonylContact O-C 3.49Å; R185-G195 WeakPolarHBondContact O-CA 3.35Å; G195-A204 CarbonylContact O-C 3.56Å; G195-A204 WeakPolarHBondContact O-CA 3.46Å; G195-F205 VanDerWaalsContact CA-CE1 3.44Å; G195-F205 PolarHBondContact N-O 3.39Å; G195-F205 VanDerWaalsContact O-CD1 3.23Å; G195-F205 WeakPolarHBondContact O-CD1 3.43Å; G195-F205 PolarHBondContact O-N 3Å
196D80Confident69.5Low28 Ų2871.4 Ų71.415%0.1536%0.362CS..EExtended strand (participates in β ladder)trans-103.6130.5174.5-175.59.4000110I28 R185 G198I28-D196 HydrophobicContact CD1-CB 3.95Å; I28-D196 HydrophobicContact CG2-CB 4.5Å; R185-D196 HydrophobicContact CB-CB 4.15Å; R185-D196 IonicContact NH1-OD2 3.02Å; R185-D196 PolarHBondContact O-N 3.19Å; D196-G198 VanDerWaalsContact C-N 3.34Å; D196-G198 PolarHBondContact OD1-N 3.49Å
197L75.8Confident69.1Low1 Ų170 Ų701%0.00536%0.355CS..  trans-80.6-14.3176.6-72.5171.2000113.6W184 N203 F205 L238 L242 L288 A291 Q292W184-L197 HydrophobicContact CE3-CD2 4.07Å; W184-L197 HydrophobicContact CH2-CD2 4.02Å; W184-L197 HydrophobicContact CZ3-CB 4.39Å; W184-L197 HydrophobicContact CZ3-CD2 3.39Å; W184-L197 HydrophobicContact CZ3-CG 4.43Å; L197-N203 HydrophobicContact CB-CB 4.15Å; L197-N203 PolarHBondContact N-O 3.48Å; L197-F205 HydrophobicContact CD2-CD1 3.76Å; L197-F205 HydrophobicContact CD2-CE1 4.11Å; L197-F205 HydrophobicContact CD2-CG 4.49Å; L197-F205 HydrophobicContact CG-CD1 3.75Å; L197-F205 HydrophobicContact CG-CE1 4.4Å; L197-L238 HydrophobicContact CD1-CD2 3.78Å; L197-L238 HydrophobicContact CD2-CD2 4.38Å; L197-L242 HydrophobicContact CD1-CD1 3.46Å; L197-L242 VanDerWaalsContact CD1-CD1 3.46Å; L197-L288 HydrophobicContact CD2-CB 4.39Å; L197-L288 HydrophobicContact CD2-CD2 3.52Å; L197-A291 HydrophobicContact CD1-CB 3.95Å; L197-A291 HydrophobicContact CD2-CB 4.16Å; L197-Q292 VanDerWaalsContact O-CG 3.24Å; L197-Q292 WeakPolarHBondContact O-CG 3.29Å; L197-Q292 PolarHBondContact O-NE2 3.09Å
198G64.1Low68.8Low29 Ų2970.6 Ų70.630%0.29936%0.358SS..  trans69.1108.5178.100000113.5D196D196-G198 VanDerWaalsContact C-N 3.34Å; D196-G198 PolarHBondContact OD1-N 3.49Å
199F57.5Low68Low91 Ų9166 Ų6640%0.39934%0.339SS..SBendtrans170.1103.5146.4-94.8-72.3000105.4S201 L295 L296 E299F199-S201 PolarHBondContact O-N 3.06Å; F199-L295 HydrophobicContact CB-CD2 3.87Å; F199-L295 HydrophobicContact CB-CG 4.21Å; F199-L296 HydrophobicContact CE1-CD1 4.27Å; F199-L296 HydrophobicContact CE2-CB 4.3Å; F199-L296 HydrophobicContact CE2-CD1 4.01Å; F199-L296 HydrophobicContact CZ-CD1 3.79Å; F199-E299 HydrophobicContact CB-CG 4.33Å; F199-E299 VanDerWaalsContact CD1-OE2 3.29Å; F199-E299 WeakPolarHBondContact CD1-OE2 3.4Å
200R54.9Low67.4Low239 Ų23969.7 Ų69.790%0.90235%0.352SS*.SBendtrans38.5-2.2170.3-66.8-164.7172-143.8-1.5122
201S49.4Very low66.4Low83 Ų8364 Ų6458%0.5835%0.349SS*.SBendtrans-158.3113.3179.8-69.20000111.3F199 N203F199-S201 PolarHBondContact O-N 3.06Å; S201-N203 VanDerWaalsContact C-N 3.33Å; S201-N203 PolarHBondContact O-N 3.39Å; S201-N203 PolarHBondContact O-ND2 2.93Å
202C48.6Very low65Low135 Ų13560.2 Ų60.291%0.91234%0.341SS*.  trans22.153.5158.4-58.30000118.8A204C202-A204 PolarHBondContact O-N 3.14Å
203N59.9Low63.1Low38 Ų3864 Ų6420%0.20337%0.366CS..  trans-101.275.8176.4-68.2-50.1000109.6L197 S201 L295L197-N203 HydrophobicContact CB-CB 4.15Å; L197-N203 PolarHBondContact N-O 3.48Å; S201-N203 VanDerWaalsContact C-N 3.33Å; S201-N203 PolarHBondContact O-N 3.39Å; S201-N203 PolarHBondContact O-ND2 2.93Å; N203-L295 HydrophobicContact CB-CD2 4Å; N203-L295 WeakPolarHBondContact ND2-CD1 3.38Å; N203-L295 WeakPolarHBondContact ND2-CD2 3.38Å
204A61.8Low60.9Low41 Ų4168.1 Ų68.134%0.33940%0.395SS..EExtended strand (participates in β ladder)trans-81.9138.6178.500000111.7G195 C202G195-A204 CarbonylContact O-C 3.56Å; G195-A204 WeakPolarHBondContact O-CA 3.46Å; C202-A204 PolarHBondContact O-N 3.14Å
205F69.1Low58.9Low2 Ų271.6 Ų71.61%0.00942%0.421CS..EExtended strand (participates in β ladder)trans-110.9158.2164.267-87.5000109.8L180 W184 L186 L194 G195 L197 V207 I236 L238 L288L180-F205 HydrophobicContact CD1-CE2 4.31Å; L180-F205 HydrophobicContact CD1-CZ 4.2Å; L180-F205 HydrophobicContact CD2-CE2 4.2Å; W184-F205 HydrophobicContact CB-CE1 4.39Å; W184-F205 HydrophobicContact CB-CZ 4Å; W184-F205 HydrophobicContact CD2-CE1 4.48Å; W184-F205 HydrophobicContact CD2-CZ 4.49Å; W184-F205 AromaticContact CE3-CE1 4Å; W184-F205 HydrophobicContact CE3-CE1 4Å; W184-F205 HydrophobicContact CE3-CZ 4.45Å; W184-F205 HydrophobicContact CG-CZ 4.31Å; L186-F205 HydrophobicContact CD2-CE2 4.11Å; L186-F205 HydrophobicContact CD2-CZ 3.8Å; L194-F205 CarbonylContact C-O 3.48Å; L194-F205 WeakPolarHBondContact CA-O 3.44Å; G195-F205 VanDerWaalsContact CA-CE1 3.44Å; G195-F205 PolarHBondContact N-O 3.39Å; G195-F205 VanDerWaalsContact O-CD1 3.23Å; G195-F205 WeakPolarHBondContact O-CD1 3.43Å; G195-F205 PolarHBondContact O-N 3Å; L197-F205 HydrophobicContact CD2-CD1 3.76Å; L197-F205 HydrophobicContact CD2-CE1 4.11Å; L197-F205 HydrophobicContact CD2-CG 4.49Å; L197-F205 HydrophobicContact CG-CD1 3.75Å; L197-F205 HydrophobicContact CG-CE1 4.4Å; F205-V207 HydrophobicContact CD2-CG2 3.75Å; F205-V207 HydrophobicContact CE2-CG2 3.46Å; F205-V207 VanDerWaalsContact CE2-CG2 3.46Å; F205-I236 HydrophobicContact CB-CG2 4.33Å; F205-I236 HydrophobicContact CD2-CD1 4.34Å; F205-I236 HydrophobicContact CD2-CG2 3.83Å; F205-I236 HydrophobicContact CE2-CD1 4.09Å; F205-I236 HydrophobicContact CG-CG2 4.41Å; F205-L238 HydrophobicContact CB-CD2 3.85Å; F205-L288 HydrophobicContact CB-CD2 4.46Å; F205-L288 HydrophobicContact CD1-CD2 3.96Å; F205-L288 HydrophobicContact CD2-CD2 3.86Å; F205-L288 HydrophobicContact CE1-CD2 3.97Å; F205-L288 HydrophobicContact CE2-CD1 4.08Å; F205-L288 HydrophobicContact CE2-CD2 3.89Å; F205-L288 HydrophobicContact CG-CD2 3.86Å; F205-L288 HydrophobicContact CZ-CD1 3.89Å; F205-L288 HydrophobicContact CZ-CD2 3.93Å
206L65.5Low56.5Low30 Ų3078.4 Ų78.416%0.15746%0.463CS..EExtended strand (participates in β ladder)trans-114.3135.9-179.8-175.9151.4000109.9I192 L194 K208 I236 M237I192-L206 HydrophobicContact CB-CD1 4.07Å; I192-L206 HydrophobicContact CB-CG 4.41Å; I192-L206 HydrophobicContact CD1-CD1 3.78Å; I192-L206 HydrophobicContact CG2-CD1 4.09Å; L194-L206 HydrophobicContact CD2-CB 4.39Å; L194-L206 HydrophobicContact CD2-CD1 4.34Å; L206-K208 HydrophobicContact CD2-CD 3.85Å; L206-K208 HydrophobicContact CD2-CG 3.54Å; L206-I236 WeakPolarHBondContact O-CA 3.18Å; L206-M237 HydrophobicContact CB-CB 4.22Å; L206-M237 HydrophobicContact CD2-CB 4.34Å; L206-M237 PolarHBondContact N-O 2.98Å; L206-M237 PolarHBondContact O-N 3.22Å
207V71.3Confident54.5Low4 Ų481.6 Ų81.62%0.02449%0.487CS..EExtended strand (participates in β ladder)trans-110.6125.2-179.1-1770000108.8L177 L180 L186 I193 F205 L234L177-V207 HydrophobicContact CD1-CG1 4.28Å; L180-V207 HydrophobicContact CD2-CG1 4.28Å; L180-V207 HydrophobicContact CD2-CG2 3.72Å; L186-V207 HydrophobicContact CD2-CG2 4.46Å; I193-V207 HydrophobicContact CB-CB 4.02Å; I193-V207 HydrophobicContact CG2-CB 4.09Å; I193-V207 HydrophobicContact CG2-CG2 4.3Å; I193-V207 PolarHBondContact O-N 3.01Å; F205-V207 HydrophobicContact CD2-CG2 3.75Å; F205-V207 HydrophobicContact CE2-CG2 3.46Å; F205-V207 VanDerWaalsContact CE2-CG2 3.46Å; V207-L234 HydrophobicContact CG1-CD2 3.84Å
208K70.3Confident52.4Low96 Ų9687.5 Ų87.542%0.41753%0.529SS..EExtended strand (participates in β ladder)trans-122151.7173.3-76.9177178.6-172.30110.1L206 E235 M237L206-K208 HydrophobicContact CD2-CD 3.85Å; L206-K208 HydrophobicContact CD2-CG 3.54Å; K208-E235 HydrophobicContact CB-CB 4.46Å; K208-E235 PolarHBondContact N-O 3.33Å; K208-E235 PolarHBondContact O-N 3.13Å; K208-M237 HydrophobicContact CD-CE 4.41Å
209Q61.7Low50.8Low74 Ų7489.6 Ų89.635%0.34655%0.55SS.*EExtended strand (participates in β ladder)trans-75.9129.5164.5-173.7173.17.500108F173 A211F173-Q209 HydrophobicContact CB-CG 4.36Å; F173-Q209 HydrophobicContact CD2-CB 3.68Å; F173-Q209 HydrophobicContact CD2-CG 3.7Å; F173-Q209 HydrophobicContact CE2-CB 3.7Å; F173-Q209 HydrophobicContact CE2-CG 4.25Å; F173-Q209 HydrophobicContact CG-CB 4.39Å; F173-Q209 HydrophobicContact CG-CG 4.09Å; F173-Q209 HydrophobicContact CZ-CB 4.42Å; Q209-A211 PolarHBondContact O-N 3.44Å; Q209-A211 VanDerWaalsContact O-N 3.14Å
210Q60Low49.8Very low101 Ų10191.9 Ų91.947%0.47257%0.571SS.*PPolyproline II helixtrans-63.8116.8174.4-166.8172.728.200108.6A212 S232 T233Q210-A212 PolarHBondContact O-N 3.35Å; Q210-S232 PolarHBondContact OE1-O 3.48Å; Q210-T233 WeakPolarHBondContact CB-O 3.38Å; Q210-T233 PolarHBondContact N-O 2.86Å
211A50.3Low48.8Very low84 Ų8486.3 Ų86.369%0.69456%0.564SS**PPolyproline II helixtrans-66118.3173.900000107.9Q209 T213Q209-A211 PolarHBondContact O-N 3.44Å; Q209-A211 VanDerWaalsContact O-N 3.14Å; A211-T213 PolarHBondContact O-N 2.76Å
212A43.3Very low48.1Very low89 Ų8990 Ų9074%0.73658%0.577SS**  trans-59.1107.2169.400000107.3Q210 P214Q210-A212 PolarHBondContact O-N 3.35Å; A212-P214 WeakPolarHBondContact O-CD 3.38Å
213T37.9Very low47.3Very low120 Ų12091 Ų9174%0.73657%0.572SS**  trans-62.4123.3167.142.30000106.3A211 S215A211-T213 PolarHBondContact O-N 2.76Å; T213-S215 PolarHBondContact O-N 2.99Å
214P35.3Very low46.2Very low120 Ų12094.9 Ų94.978%0.77960%0.599SS**  trans-65.994.9169.126.3-30.1000106.1A212 T216A212-P214 WeakPolarHBondContact O-CD 3.38Å; P214-T216 PolarHBondContact O-N 3.41Å
215S37.7Very low44.8Very low98 Ų9898 Ų9869%0.68562%0.619SS**  trans-65.7105166.530.50000106.1T213 S217T213-S215 PolarHBondContact O-N 2.99Å; S215-S217 PolarHBondContact O-N 2.93Å
216T31.8Very low43Very low143 Ų143106 Ų10688%0.87766%0.661SS**  trans-61.488.1162.9-57.90000107.7P214P214-T216 PolarHBondContact O-N 3.41Å
217S37.8Very low41.2Very low95 Ų95108.2 Ų108.266%0.66469%0.69SS**  trans-146.294.8159.858.50000108.5S215S215-S217 PolarHBondContact O-N 2.93Å
218S32.1Very low39.2Very low126 Ų126112 Ų11288%0.88173%0.73SS**  trans-30.5131155.6-29.20000111.9
219G31.2Very low37.6Very low72 Ų72111.8 Ų111.874%0.74274%0.741SS**  trans147.883.6168.800000114.2
220V35.4Very low36.9Very low139 Ų139116 Ų11684%0.84276%0.76SS**  trans-16.3126.8150.8-169.90000113.6
221T33.4Very low36.7Very low122 Ų122115.2 Ų115.275%0.74877%0.766SS**  169.6127.5116-62.60000110.4L223T221-L223 PolarHBondContact O-N 3.03Å
222L35.5Very low37.3Very low161 Ų161112.4 Ų112.484%0.84374%0.741SS**  trans-53.6123.7169.8-62.8152.7000111.1
223L32.9Very low38.6Very low157 Ų157109.4 Ų109.482%0.82271%0.714SS**  trans-172.1132.9144.7-114.5109.6000108.5T221 S225T221-L223 PolarHBondContact O-N 3.03Å; L223-S225 PolarHBondContact O-N 2.88Å
224P36Very low40.3Very low118 Ų118103.9 Ų103.977%0.76668%0.68SS**  trans-78.294.6174.731.5-28.1000108.1L226P224-L226 PolarHBondContact O-N 3.35Å
225S33.3Very low42.3Very low108 Ų108102.9 Ų102.976%0.75567%0.665SS**  trans-73.7110.717151.30000109.6L223 G227L223-S225 PolarHBondContact O-N 2.88Å; S225-G227 PolarHBondContact O-N 3.11Å
226L30.3Very low44.4Very low170 Ų17099 Ų9989%0.8964%0.636SS**  trans-52.2129.8152.8-8770.4000109P224P224-L226 PolarHBondContact O-N 3.35Å
227G28Very low46.7Very low75 Ų7596.3 Ų96.377%0.77362%0.615SS**  trans102.8123.7159.800000115.2S225S225-G227 PolarHBondContact O-N 3.11Å
228G29.3Very low48.7Very low83 Ų8392.3 Ų92.386%0.85659%0.586SS**SBendtrans107.469.2152.900000115.9
229S35.8Very low50.8Low93 Ų9389.2 Ų89.265%0.6556%0.563SS**  154.7101.6129-167.50000107.2S231S229-S231 PolarHBondContact O-N 2.59Å
230Q47Very low53Low161 Ų16189.3 Ų89.375%0.75256%0.557SS**  trans-67.283.3172.7-63.2-168.46800108.2
231S56.5Low54.8Low85 Ų8586.8 Ų86.859%0.59454%0.539SS*.  trans-95.1109.2162.4560000106.7S229S229-S231 PolarHBondContact O-N 2.59Å
232S62.2Low56.8Low25 Ų2581.2 Ų81.218%0.17550%0.504CS..  trans-55.9139.317448.30000111.2E176 Q210 L234E176-S232 WeakPolarHBondContact OE2-CA 3.12Å; E176-S232 WeakPolarHBondContact OE2-CB 3.11Å; Q210-S232 PolarHBondContact OE1-O 3.48Å; S232-L234 PolarHBondContact O-N 2.87Å; S232-L234 PolarHBondContact OG-O 2.84Å
233T70.4Confident58.6Low26 Ų2679.8 Ų79.816%0.1649%0.491CS..SBendtrans-70.4-22.9172.1-39.40000111S172 F173 E176 Q210S172-T233 WeakPolarHBondContact CB-OG1 3.24Å; S172-T233 PolarHBondContact OG-OG1 2.9Å; F173-T233 HydrophobicContact CB-CG2 3.97Å; E176-T233 VanDerWaalsContact CD-N 3.28Å; E176-T233 WeakPolarHBondContact OE1-CB 3.23Å; E176-T233 PolarHBondContact OE1-N 3.49Å; E176-T233 PolarHBondContact OE1-OG1 2.84Å; E176-T233 PolarHBondContact OE2-N 3.25Å; Q210-T233 WeakPolarHBondContact CB-O 3.38Å; Q210-T233 PolarHBondContact N-O 2.86Å
234L73.7Confident60.6Low4 Ų479.6 Ų79.62%0.02148%0.483CS..EExtended strand (participates in β ladder)trans-80.8129.9174.3-64.9-178.5000112.3F173 E176 L180 V207 S232 W284F173-L234 HydrophobicContact CD2-CD2 3.35Å; F173-L234 HydrophobicContact CE2-CD2 3.28Å; F173-L234 HydrophobicContact CG-CD2 4.35Å; F173-L234 HydrophobicContact CZ-CD2 4.25Å; E176-L234 HydrophobicContact CB-CD1 3.54Å; E176-L234 HydrophobicContact CB-CG 3.64Å; E176-L234 WeakPolarHBondContact OE2-CG 3.49Å; E176-L234 PolarHBondContact OE2-N 2.92Å; L180-L234 HydrophobicContact CB-CD1 4.32Å; L180-L234 HydrophobicContact CD2-CD1 4.23Å; V207-L234 HydrophobicContact CG1-CD2 3.84Å; S232-L234 PolarHBondContact O-N 2.87Å; S232-L234 PolarHBondContact OG-O 2.84Å; L234-W284 HydrophobicContact CB-CG 4.36Å; L234-W284 HydrophobicContact CD1-CD2 4.37Å; L234-W284 HydrophobicContact CD1-CG 4.19Å
235E78.7Confident62.4Low99 Ų9977.2 Ų77.246%0.46346%0.462SS..EExtended strand (participates in β ladder)trans-104120.7166.2-172-178.1176.800109.3K208K208-E235 HydrophobicContact CB-CB 4.46Å; K208-E235 PolarHBondContact N-O 3.33Å; K208-E235 PolarHBondContact O-N 3.13Å
236I80.1Confident64.4Low17 Ų1775.2 Ų75.29%0.08744%0.443CS..EExtended strand (participates in β ladder)trans-103.4124.7177-63.2-164.2000109.9L180 F205 L206 L238 W284 M287 L288L180-I236 HydrophobicContact CD1-CD1 4.3Å; F205-I236 HydrophobicContact CB-CG2 4.33Å; F205-I236 HydrophobicContact CD2-CD1 4.34Å; F205-I236 HydrophobicContact CD2-CG2 3.83Å; F205-I236 HydrophobicContact CE2-CD1 4.09Å; F205-I236 HydrophobicContact CG-CG2 4.41Å; L206-I236 WeakPolarHBondContact O-CA 3.18Å; I236-L238 HydrophobicContact CG2-CD2 4.39Å; I236-L238 HydrophobicContact CG2-CG 4.16Å; I236-W284 HydrophobicContact CD1-CB 3.57Å; I236-W284 HydrophobicContact CD1-CG 4.42Å; I236-W284 HydrophobicContact CG1-CB 3.93Å; I236-M287 HydrophobicContact CB-SD 4.23Å; I236-M287 HydrophobicContact CG2-SD 4.4Å; I236-L288 HydrophobicContact CD1-CD1 3.48Å; I236-L288 VanDerWaalsContact CD1-CD1 3.48Å; I236-L288 HydrophobicContact CD1-CD2 3.83Å; I236-L288 HydrophobicContact CD1-CG 3.58Å; I236-L288 HydrophobicContact CG2-CD2 3.83Å
237M80.3Confident66.6Low87 Ų8769.5 Ų69.543%0.42941%0.413SS..EExtended strand (participates in β ladder)trans-101.7107.7175.6-173.4-177.6-61.400109.7L206 K208L206-M237 HydrophobicContact CB-CB 4.22Å; L206-M237 HydrophobicContact CD2-CB 4.34Å; L206-M237 PolarHBondContact N-O 2.98Å; L206-M237 PolarHBondContact O-N 3.22Å; K208-M237 HydrophobicContact CD-CE 4.41Å
238L79.9Confident69Low11 Ų1168.7 Ų68.76%0.05839%0.39CS..  trans-95.1145.2173.7-69.4171.6000111.4L197 F205 I236 K243 M287 L288 A291L197-L238 HydrophobicContact CD1-CD2 3.78Å; L197-L238 HydrophobicContact CD2-CD2 4.38Å; F205-L238 HydrophobicContact CB-CD2 3.85Å; I236-L238 HydrophobicContact CG2-CD2 4.39Å; I236-L238 HydrophobicContact CG2-CG 4.16Å; L238-K243 HydrophobicContact CB-CG 4.36Å; L238-K243 VanDerWaalsContact O-CE 3.25Å; L238-K243 WeakPolarHBondContact O-CE 3.18Å; L238-M287 HydrophobicContact CD1-CG 3.53Å; L238-M287 HydrophobicContact CD1-SD 4Å; L238-M287 HydrophobicContact CG-SD 4.49Å; L238-L288 HydrophobicContact CD2-CD2 4.27Å; L238-A291 HydrophobicContact CD1-CB 3.83Å; L238-A291 HydrophobicContact CD2-CB 3.96Å
239P77.8Confident71.3Confident61 Ų6167.9 Ų67.940%0.39636%0.363SS..  trans-49.4142163.8-26.433.5000111.9D241 L242P239-D241 PolarHBondContact O-N 2.89Å; P239-D241 VanDerWaalsContact O-N 3.07Å; P239-L242 HydrophobicContact CB-CD1 4.43Å; P239-L242 HydrophobicContact CG-CD1 4.15Å; P239-L242 PolarHBondContact O-N 2.99Å
240A75.7Confident73.3Confident74 Ų7468.5 Ų68.561%0.61237%0.366SS*.Hα-helixtrans-54.2-34.3-174.300000113.3L242 K243A240-L242 VanDerWaalsContact C-N 3.32Å; A240-L242 PolarHBondContact O-N 3.44Å; A240-K243 PolarHBondContact O-N 3.13Å
241D74.1Confident74.7Confident86 Ų8664.8 Ų64.846%0.4635%0.348SS..Hα-helixtrans-60-35.8176.2-89.823.3000114.7P239 R298P239-D241 PolarHBondContact O-N 2.89Å; P239-D241 VanDerWaalsContact O-N 3.07Å; D241-R298 IonicContact OD2-CZ 2.98Å; D241-R298 IonicContact OD2-NH1 2.71Å; D241-R298 PolarHBondContact OD2-NH1 3.19Å; D241-R298 IonicContact OD2-NH2 3.91Å; D241-R298 PolarHBondContact OD2-NH2 2.89Å
242L76.1Confident75.8Confident5 Ų568.8 Ų68.83%0.02636%0.361CS..Hα-helixtrans-89.2-8-175.7-65174.9000112.8L197 P239 A240 K244 A291 T294 L295L197-L242 HydrophobicContact CD1-CD1 3.46Å; L197-L242 VanDerWaalsContact CD1-CD1 3.46Å; P239-L242 HydrophobicContact CB-CD1 4.43Å; P239-L242 HydrophobicContact CG-CD1 4.15Å; P239-L242 PolarHBondContact O-N 2.99Å; A240-L242 VanDerWaalsContact C-N 3.32Å; A240-L242 PolarHBondContact O-N 3.44Å; L242-K244 VanDerWaalsContact C-N 3.27Å; L242-A291 HydrophobicContact CB-CB 4.26Å; L242-T294 HydrophobicContact CD2-CG2 4.39Å; L242-L295 HydrophobicContact CD2-CB 4.41Å
243K72.5Confident76.6Confident130 Ų13071.2 Ų71.257%0.56537%0.371SS*.Hα-helixtrans-70-28173.5-62.6-175.9-179.4-178.50111.6L238 A240 K290L238-K243 HydrophobicContact CB-CG 4.36Å; L238-K243 VanDerWaalsContact O-CE 3.25Å; L238-K243 WeakPolarHBondContact O-CE 3.18Å; A240-K243 PolarHBondContact O-N 3.13Å; K243-K290 PolarHBondContact O-NZ 3.21Å
244K74.6Confident76.9Confident153 Ų15374.4 Ų74.467%0.66539%0.392SS*.SBendtrans-77.8141.8177.8-62.3-177.9-178178.80110L242 T294L242-K244 VanDerWaalsContact C-N 3.27Å; K244-T294 VanDerWaalsContact O-CG2 3.27Å; K244-T294 WeakPolarHBondContact O-CG2 3.36Å; K244-T294 PolarHBondContact O-OG1 2.93Å; K244-T294 VanDerWaalsContact O-OG1 3.08Å
245Q73.4Confident76.8Confident69 Ų6982.2 Ų82.232%0.32243%0.434SS..  trans-85.9128171.3-158.4161.7-22.300109.1I247 K290Q245-I247 HydrophobicContact CG-CG1 4.34Å; Q245-K290 HydrophobicContact CG-CG 4.23Å; Q245-K290 VanDerWaalsContact OE1-CE 3.29Å
246L75.4Confident76.4Confident65 Ų6584.1 Ų84.134%0.3445%0.452SS..  trans-106137.5167-67.1170.7000109.2T294 C297 R298L246-T294 HydrophobicContact CB-CG2 4.03Å; L246-T294 HydrophobicContact CD1-CG2 3.7Å; L246-T294 HydrophobicContact CG-CG2 3.79Å; L246-T294 PolarHBondContact N-OG1 3.37Å; L246-C297 HydrophobicContact CB-CB 4.04Å; L246-R298 HydrophobicContact CD1-CG 3.6Å
247I77.1Confident75.6Confident51 Ų5184.4 Ų84.426%0.26246%0.457SS..  trans-129121.5175.9-59.6176.7000106.8Q245 K249 L273Q245-I247 HydrophobicContact CG-CG1 4.34Å; I247-K249 HydrophobicContact CG2-CG 4.21Å; I247-L273 HydrophobicContact CD1-CB 3.78Å; I247-L273 VanDerWaalsContact CD1-O 3.3Å; I247-L273 WeakPolarHBondContact CD1-O 3.45Å
248L77.5Confident75.1Confident57 Ų5785.8 Ų85.830%0.29847%0.466SS..  trans-83.6123171.3178.968.1000108.5L300 F301L248-L300 HydrophobicContact CD2-CB 4.25Å; L248-L300 HydrophobicContact CD2-CD1 4.23Å; L248-F301 HydrophobicContact CB-CE2 4.17Å; L248-F301 HydrophobicContact CD1-CD1 4.17Å; L248-F301 HydrophobicContact CD1-CD2 4.07Å; L248-F301 HydrophobicContact CD1-CE1 3.56Å; L248-F301 HydrophobicContact CD1-CE2 3.44Å; L248-F301 VanDerWaalsContact CD1-CE2 3.44Å; L248-F301 HydrophobicContact CD1-CG 4.41Å; L248-F301 HydrophobicContact CD1-CZ 3.16Å; L248-F301 HydrophobicContact CG-CE2 4.39Å; L248-F301 HydrophobicContact CG-CZ 4.44Å
249K77.6Confident74.8Confident66 Ų6691.5 Ų91.529%0.28750%0.496SS..  trans-116.1130.8169.1-69.2-170.7179.6-173.40108.8I247 F251 V269I247-K249 HydrophobicContact CG2-CG 4.21Å; K249-F251 HydrophobicContact CB-CE2 4.13Å; K249-F251 HydrophobicContact CB-CZ 4.12Å; K249-F251 HydrophobicContact CD-CZ 4.32Å; K249-V269 HydrophobicContact CD-CB 4.35Å; K249-V269 HydrophobicContact CD-CG1 3.88Å; K249-V269 HydrophobicContact CD-CG2 3.73Å; K249-V269 VanDerWaalsContact NZ-CA 3.35Å
250C77.7Confident74.5Confident106 Ų10694.3 Ų94.372%0.71650%0.504SS*.  trans-114.5136.5176.4-63.30000108.2
251F78Confident74.2Confident83 Ų8395.4 Ų95.436%0.36450%0.499SS..  trans-123.1135.7179.7-63.7-64.6000108.5K249 I253 L265 V269K249-F251 HydrophobicContact CB-CE2 4.13Å; K249-F251 HydrophobicContact CB-CZ 4.12Å; K249-F251 HydrophobicContact CD-CZ 4.32Å; F251-I253 HydrophobicContact CB-CG1 4.44Å; F251-L265 HydrophobicContact CB-CD2 3.48Å; F251-L265 VanDerWaalsContact CB-CD2 3.48Å; F251-L265 HydrophobicContact CB-CG 4.28Å; F251-L265 HydrophobicContact CD1-CD1 3.51Å; F251-L265 HydrophobicContact CD1-CD2 3.37Å; F251-L265 HydrophobicContact CD1-CG 3.25Å; F251-L265 HydrophobicContact CD2-CD2 4.33Å; F251-L265 HydrophobicContact CD2-CG 4.29Å; F251-L265 HydrophobicContact CE1-CD1 3.54Å; F251-L265 HydrophobicContact CE1-CD2 4.13Å; F251-L265 HydrophobicContact CE1-CG 3.46Å; F251-L265 VanDerWaalsContact CE1-CG 3.46Å; F251-L265 HydrophobicContact CE2-CG 4.46Å; F251-L265 HydrophobicContact CG-CD1 4.41Å; F251-L265 HydrophobicContact CG-CD2 3.46Å; F251-L265 VanDerWaalsContact CG-CD2 3.46Å; F251-L265 HydrophobicContact CG-CG 3.68Å; F251-L265 HydrophobicContact CZ-CD1 4.47Å; F251-L265 HydrophobicContact CZ-CG 4.07Å; F251-V269 HydrophobicContact CE2-CG2 4.43Å; F251-V269 HydrophobicContact CZ-CG2 3.81Å
252I79.9Confident74.1Confident169 Ų16993.9 Ų93.987%0.86749%0.491SS*.  trans-100.7111.8171.6-58.4174.4000105.6
253I77.7Confident74Confident77 Ų7796.4 Ų96.440%0.39551%0.509SS..  trans-104.4123.5-178-60.9164.8000107F251 A257 I262 L265F251-I253 HydrophobicContact CB-CG1 4.44Å; I253-A257 HydrophobicContact CG2-CB 3.27Å; I253-I262 HydrophobicContact CD1-CD1 4.35Å; I253-I262 HydrophobicContact CD1-CG1 4.08Å; I253-I262 HydrophobicContact CD1-CG2 4.39Å; I253-I262 HydrophobicContact CG2-CG1 4.41Å; I253-L265 HydrophobicContact CG1-CD2 4.31Å
254P77.8Confident74Confident92 Ų9295.6 Ų95.660%0.59751%0.505SS*.  trans-67.9148.2172.329-32.6000110.1V256 A257P254-V256 PolarHBondContact O-N 2.98Å; P254-A257 HydrophobicContact CG-CB 4.43Å; P254-A257 WeakPolarHBondContact O-CB 3.24Å; P254-A257 PolarHBondContact O-N 3.36Å
255D70.9Confident73.9Confident169 Ų16990.9 Ų90.990%0.90449%0.487SS*.THydrogen-bonded Turntrans-56.8-23.7-174.4-164.230.9000114.1A257D255-A257 VanDerWaalsContact C-N 3.31Å; D255-A257 PolarHBondContact O-N 2.94Å
256V70.6Confident73.9Confident138 Ų13892.6 Ų92.684%0.83650%0.497SS*.THydrogen-bonded Turntrans-95.129179.9-159.20000111.9P254P254-V256 PolarHBondContact O-N 2.98Å
257A63.2Low73.6Confident23 Ų2397 Ų9719%0.1952%0.516CS..  trans-89.7122.2-179.100000111.6I253 P254 D255 L261I253-A257 HydrophobicContact CG2-CB 3.27Å; P254-A257 HydrophobicContact CG-CB 4.43Å; P254-A257 WeakPolarHBondContact O-CB 3.24Å; P254-A257 PolarHBondContact O-N 3.36Å; D255-A257 VanDerWaalsContact C-N 3.31Å; D255-A257 PolarHBondContact O-N 2.94Å; A257-L261 HydrophobicContact CB-CD1 4.23Å
258D68.9Low73.2Confident116 Ų11698.3 Ų98.362%0.6253%0.53SS*.  trans-64147.1168-67.2-38.2000110.9E260 L261 I262D258-E260 PolarHBondContact O-N 3.39Å; D258-L261 WeakPolarHBondContact O-CB 3.3Å; D258-L261 PolarHBondContact O-N 3.28Å; D258-I262 PolarHBondContact O-N 2.76Å
259D73.8Confident72.6Confident131 Ų13196.5 Ų96.570%0.70152%0.521SS*.Hα-helixtrans-51.7-24.6175.4-76.2-26.9000113.1I262 S263D259-I262 PolarHBondContact O-N 3.41Å; D259-S263 WeakPolarHBondContact O-CB 3.43Å; D259-S263 PolarHBondContact O-N 3.07Å; D259-S263 PolarHBondContact O-OG 3.16Å
260E72.5Confident71.9Confident121 Ų12197.1 Ų97.157%0.56553%0.528SS*.Hα-helixtrans-69-35.6175.9-154.7-170.4146.500112.6D258 S263 K264D258-E260 PolarHBondContact O-N 3.39Å; E260-S263 PolarHBondContact O-N 2.83Å; E260-K264 WeakPolarHBondContact O-CB 3.42Å; E260-K264 WeakPolarHBondContact O-CG 3.48Å; E260-K264 PolarHBondContact O-N 3.25Å; E260-K264 WeakPolarHBondContact OE1-CE 3.48Å; E260-K264 IonicContact OE1-NZ 3.68Å; E260-K264 PolarHBondContact OE1-NZ 2.99Å
261L69.9Low71.1Confident96 Ų9696.2 Ų96.250%0.50352%0.521SS..Hα-helixtrans-68.3-39.9174.7-68.4175.7000110.9A257 D258 S263 K264 L265A257-L261 HydrophobicContact CB-CD1 4.23Å; D258-L261 WeakPolarHBondContact O-CB 3.3Å; D258-L261 PolarHBondContact O-N 3.28Å; L261-S263 VanDerWaalsContact C-N 3.33Å; L261-K264 PolarHBondContact O-N 3.02Å; L261-L265 VanDerWaalsContact O-CB 3.24Å; L261-L265 WeakPolarHBondContact O-CB 3.13Å; L261-L265 PolarHBondContact O-N 3.26Å
262I71.1Confident70.1Confident54 Ų5495.1 Ų95.128%0.27752%0.523SS..Hα-helixtrans-60.8-46.6174.9-54.6-177.7000109.7I253 D258 D259 L265 I266I253-I262 HydrophobicContact CD1-CD1 4.35Å; I253-I262 HydrophobicContact CD1-CG1 4.08Å; I253-I262 HydrophobicContact CD1-CG2 4.39Å; I253-I262 HydrophobicContact CG2-CG1 4.41Å; D258-I262 PolarHBondContact O-N 2.76Å; D259-I262 PolarHBondContact O-N 3.41Å; I262-L265 PolarHBondContact O-N 3.42Å; I262-I266 HydrophobicContact CG2-CD1 3.95Å; I262-I266 WeakPolarHBondContact O-CG1 3.27Å; I262-I266 PolarHBondContact O-N 3.47Å
263S73.1Confident68.8Low58 Ų5890.9 Ų90.941%0.40650%0.502SS..Hα-helixtrans-62.8-44.4178.6-61.40000112.3D259 E260 L261 L265 I266 Q267D259-S263 WeakPolarHBondContact O-CB 3.43Å; D259-S263 PolarHBondContact O-N 3.07Å; D259-S263 PolarHBondContact O-OG 3.16Å; E260-S263 PolarHBondContact O-N 2.83Å; L261-S263 VanDerWaalsContact C-N 3.33Å; S263-L265 VanDerWaalsContact C-N 3.3Å; S263-L265 PolarHBondContact O-N 2.99Å; S263-I266 PolarHBondContact O-N 3.41Å; S263-Q267 WeakPolarHBondContact O-CB 3.11Å; S263-Q267 VanDerWaalsContact O-CG 3.28Å; S263-Q267 WeakPolarHBondContact O-CG 3.38Å; S263-Q267 PolarHBondContact O-N 3.07Å
264K74.3Confident67.6Low114 Ų11492.9 Ų92.950%0.49651%0.505SS..Hα-helixtrans-62-37.8174.3-76.4172.6-174.7163.10112E260 L261 Q267 S268E260-K264 WeakPolarHBondContact O-CB 3.42Å; E260-K264 WeakPolarHBondContact O-CG 3.48Å; E260-K264 PolarHBondContact O-N 3.25Å; E260-K264 WeakPolarHBondContact OE1-CE 3.48Å; E260-K264 IonicContact OE1-NZ 3.68Å; E260-K264 PolarHBondContact OE1-NZ 2.99Å; L261-K264 PolarHBondContact O-N 3.02Å; K264-Q267 CarbonylContact O-C 3.59Å; K264-Q267 PolarHBondContact O-N 2.69Å; K264-S268 WeakPolarHBondContact O-CB 3.49Å; K264-S268 PolarHBondContact O-N 3.27Å
265L71.7Confident66Low54 Ų5495.8 Ų95.828%0.28351%0.511SS..Hα-helixtrans-70.2-39.5180-168.959.5000111.7F251 I253 L261 I262 S263 Q267 S268F251-L265 HydrophobicContact CB-CD2 3.48Å; F251-L265 VanDerWaalsContact CB-CD2 3.48Å; F251-L265 HydrophobicContact CB-CG 4.28Å; F251-L265 HydrophobicContact CD1-CD1 3.51Å; F251-L265 HydrophobicContact CD1-CD2 3.37Å; F251-L265 HydrophobicContact CD1-CG 3.25Å; F251-L265 HydrophobicContact CD2-CD2 4.33Å; F251-L265 HydrophobicContact CD2-CG 4.29Å; F251-L265 HydrophobicContact CE1-CD1 3.54Å; F251-L265 HydrophobicContact CE1-CD2 4.13Å; F251-L265 HydrophobicContact CE1-CG 3.46Å; F251-L265 VanDerWaalsContact CE1-CG 3.46Å; F251-L265 HydrophobicContact CE2-CG 4.46Å; F251-L265 HydrophobicContact CG-CD1 4.41Å; F251-L265 HydrophobicContact CG-CD2 3.46Å; F251-L265 VanDerWaalsContact CG-CD2 3.46Å; F251-L265 HydrophobicContact CG-CG 3.68Å; F251-L265 HydrophobicContact CZ-CD1 4.47Å; F251-L265 HydrophobicContact CZ-CG 4.07Å; I253-L265 HydrophobicContact CG1-CD2 4.31Å; L261-L265 VanDerWaalsContact O-CB 3.24Å; L261-L265 WeakPolarHBondContact O-CB 3.13Å; L261-L265 PolarHBondContact O-N 3.26Å; I262-L265 PolarHBondContact O-N 3.42Å; S263-L265 VanDerWaalsContact C-N 3.3Å; S263-L265 PolarHBondContact O-N 2.99Å; L265-Q267 VanDerWaalsContact C-N 3.34Å; L265-S268 PolarHBondContact O-N 3.14Å; L265-S268 PolarHBondContact O-OG 3.42Å
266I72.3Confident64.7Low105 Ų10590.6 Ų90.654%0.53849%0.487SS..Hα-helixtrans-65.6-37.2172.1-65.9166.7000111.1I262 S263 V269I262-I266 HydrophobicContact CG2-CD1 3.95Å; I262-I266 WeakPolarHBondContact O-CG1 3.27Å; I262-I266 PolarHBondContact O-N 3.47Å; S263-I266 PolarHBondContact O-N 3.41Å; I266-V269 WeakPolarHBondContact O-CB 3.22Å; I266-V269 WeakPolarHBondContact O-CG2 2.98Å
267Q70.8Confident63.3Low156 Ų15687.3 Ų87.373%0.72947%0.47SS*.Hα-helixtrans-78.3-24.3178.1-70.917512.800113.7S263 K264 L265 V269S263-Q267 WeakPolarHBondContact O-CB 3.11Å; S263-Q267 VanDerWaalsContact O-CG 3.28Å; S263-Q267 WeakPolarHBondContact O-CG 3.38Å; S263-Q267 PolarHBondContact O-N 3.07Å; K264-Q267 CarbonylContact O-C 3.59Å; K264-Q267 PolarHBondContact O-N 2.69Å; L265-Q267 VanDerWaalsContact C-N 3.34Å; Q267-V269 PolarHBondContact O-N 2.78Å
268S68Low62.4Low79 Ų7994.3 Ų94.355%0.55250%0.504SS*.THydrogen-bonded Turntrans-64.8-9.4173.477.70000112.8K264 L265 D270K264-S268 WeakPolarHBondContact O-CB 3.49Å; K264-S268 PolarHBondContact O-N 3.27Å; L265-S268 PolarHBondContact O-N 3.14Å; L265-S268 PolarHBondContact O-OG 3.42Å; S268-D270 PolarHBondContact O-N 3.03Å
269V65Low61.2Low19 Ų1996.9 Ų96.912%0.11551%0.51CS..SBendtrans-67.296.3174.9176.70000109K249 F251 I266 Q267 P271 Y274K249-V269 HydrophobicContact CD-CB 4.35Å; K249-V269 HydrophobicContact CD-CG1 3.88Å; K249-V269 HydrophobicContact CD-CG2 3.73Å; K249-V269 VanDerWaalsContact NZ-CA 3.35Å; F251-V269 HydrophobicContact CE2-CG2 4.43Å; F251-V269 HydrophobicContact CZ-CG2 3.81Å; I266-V269 WeakPolarHBondContact O-CB 3.22Å; I266-V269 WeakPolarHBondContact O-CG2 2.98Å; Q267-V269 PolarHBondContact O-N 2.78Å; V269-P271 WeakPolarHBondContact O-CD 3.36Å; V269-Y274 HydrophobicContact CG1-CE2 3.35Å; V269-Y274 WeakPolarHBondContact CG1-OH 3.31Å
270D62.9Low59.7Low80 Ų80100.9 Ų100.943%0.42852%0.515SS..  trans-49.3114.3178-170.1-8.2000111.5S268 S272 L273S268-D270 PolarHBondContact O-N 3.03Å; D270-S272 PolarHBondContact O-N 3.06Å; D270-S272 VanDerWaalsContact O-N 3.14Å; D270-S272 WeakPolarHBondContact OD1-CB 3.38Å; D270-S272 PolarHBondContact OD1-N 2.82Å; D270-S272 PolarHBondContact OD1-OG 3.14Å; D270-S272 PolarHBondContact OD2-OG 2.94Å; D270-L273 HydrophobicContact CB-CD1 4.33Å; D270-L273 HydrophobicContact CB-CG 4.42Å; D270-L273 WeakPolarHBondContact O-CB 3.29Å; D270-L273 PolarHBondContact O-N 2.86Å; D270-L273 VanDerWaalsContact O-N 3.16Å
271P60.2Low58.5Low87 Ų8797.2 Ų97.257%0.56551%0.506SS*.G310 helixtrans-59.6-21.8177.3-22.433000113V269 L273 Y274 Q275V269-P271 WeakPolarHBondContact O-CD 3.36Å; P271-L273 PolarHBondContact O-N 2.84Å; P271-Y274 PolarHBondContact O-N 3.08Å; P271-Q275 PolarHBondContact O-N 2.69Å
272S57.3Low57.9Low60 Ų6096 Ų9642%0.4250%0.503SS..G310 helixtrans-61.8-26.5178.3820000112.5D270 Y274 Q275D270-S272 PolarHBondContact O-N 3.06Å; D270-S272 VanDerWaalsContact O-N 3.14Å; D270-S272 WeakPolarHBondContact OD1-CB 3.38Å; D270-S272 PolarHBondContact OD1-N 2.82Å; D270-S272 PolarHBondContact OD1-OG 3.14Å; D270-S272 PolarHBondContact OD2-OG 2.94Å; S272-Y274 VanDerWaalsContact C-N 3.27Å; S272-Y274 PolarHBondContact O-N 3.32Å; S272-Q275 PolarHBondContact O-N 3.3Å
273L52.7Low58.1Low80 Ų8094.7 Ų94.742%0.41950%0.498SS..G310 helixtrans-71.5-23176-67.3170.4000112.6I247 D270 P271I247-L273 HydrophobicContact CD1-CB 3.78Å; I247-L273 VanDerWaalsContact CD1-O 3.3Å; I247-L273 WeakPolarHBondContact CD1-O 3.45Å; D270-L273 HydrophobicContact CB-CD1 4.33Å; D270-L273 HydrophobicContact CB-CG 4.42Å; D270-L273 WeakPolarHBondContact O-CB 3.29Å; D270-L273 PolarHBondContact O-N 2.86Å; D270-L273 VanDerWaalsContact O-N 3.16Å; P271-L273 PolarHBondContact O-N 2.84Å
274Y52.4Low58.5Low119 Ų11992.9 Ų92.947%0.46748%0.482SS..THydrogen-bonded Turntrans-91.7-14.1174.6-55.3-68000112.9V269 P271 S272 C276V269-Y274 HydrophobicContact CG1-CE2 3.35Å; V269-Y274 WeakPolarHBondContact CG1-OH 3.31Å; P271-Y274 PolarHBondContact O-N 3.08Å; S272-Y274 VanDerWaalsContact C-N 3.27Å; S272-Y274 PolarHBondContact O-N 3.32Å; Y274-C276 PolarHBondContact O-N 2.87Å
275Q44.5Very low59Low152 Ų15291.8 Ų91.871%0.7148%0.479SS*.  trans-73.784.2170.4-81.8179.97.300108.8P271 S272 S277P271-Q275 PolarHBondContact O-N 2.69Å; S272-Q275 PolarHBondContact O-N 3.3Å; Q275-S277 PolarHBondContact O-N 3.32Å
276C43.1Very low59.5Low61 Ų6193.9 Ų93.941%0.41249%0.487SS..  trans-58.5101.2151.9-169.10000106.2Y274 N278 K290Y274-C276 PolarHBondContact O-N 2.87Å; C276-N278 PolarHBondContact O-N 2.72Å; C276-K290 VanDerWaalsContact SG-CE 3.59Å; C276-K290 PolarHBondContact SG-NZ 3.02Å
277S41.8Very low59.9Low69 Ų6992 Ų9248%0.48348%0.477SS..  trans-54.4119175.164.40000106.9Q275 K279Q275-S277 PolarHBondContact O-N 3.32Å; S277-K279 PolarHBondContact O-N 2.93Å
278N43.6Very low60.7Low169 Ų16984.6 Ų84.690%0.90444%0.442SS*.  trans-63.415.3169.4-99.3-17.5000112.6C276 R280C276-N278 PolarHBondContact O-N 2.72Å; N278-R280 PolarHBondContact O-N 3.18Å; N278-R280 VanDerWaalsContact O-N 3.07Å
279K43.7Very low61.4Low171 Ų17184.2 Ų84.274%0.74343%0.432SS*.SBendtrans-59.9113.1161.7-63.3179.1-177.8-176.90104.7S277 A281S277-K279 PolarHBondContact O-N 2.93Å; K279-A281 PolarHBondContact O-N 3.48Å
280R43.4Very low62.3Low214 Ų21485.2 Ų85.281%0.80844%0.435SS*.  trans-32.4112.1173.1-76.9-178.8-87.7-177.9-5.9107.7N278 T282N278-R280 PolarHBondContact O-N 3.18Å; N278-R280 VanDerWaalsContact O-N 3.07Å; R280-T282 WeakPolarHBondContact O-CA 3.49Å; R280-T282 PolarHBondContact O-N 2.99Å
281A46.5Very low63.3Low44 Ų4481.4 Ų81.436%0.36441%0.414SS..  trans-48.4111.9-179.500000106.9K279 S283 M287K279-A281 PolarHBondContact O-N 3.48Å; A281-S283 PolarHBondContact O-N 3.39Å; A281-M287 HydrophobicContact CB-CB 4.27Å; A281-M287 HydrophobicContact CB-CE 3.94Å
282T56.7Low64.5Low71 Ų7180.4 Ų80.444%0.43640%0.402SS..SBendtrans-76.2-9.7-161.720.60000112.4R280 E286R280-T282 WeakPolarHBondContact O-CA 3.49Å; R280-T282 PolarHBondContact O-N 2.99Å; T282-E286 PolarHBondContact OG1-OE2 3.07Å
283S75.3Confident65.8Low26 Ų2683.3 Ų83.318%0.18241%0.407CS..SBendtrans-143.7143.3168.762.80000109.5A281 Q285 E286 M287A281-S283 PolarHBondContact O-N 3.39Å; S283-Q285 PolarHBondContact O-N 2.91Å; S283-Q285 VanDerWaalsContact O-N 3.08Å; S283-E286 PolarHBondContact O-N 2.96Å; S283-E286 WeakPolarHBondContact OG-CG 3.18Å; S283-E286 PolarHBondContact OG-N 3.46Å; S283-M287 PolarHBondContact O-N 3.11Å
284W82.6Confident67.3Low20 Ų2079.5 Ų79.58%0.07639%0.387CS..Hα-helixtrans-52.6-26.9169.455.4-102.6000111.9E179 L180 L234 I236 M287 L288E179-W284 HydrophobicContact CB-CH2 4.13Å; E179-W284 HydrophobicContact CB-CZ2 3.78Å; L180-W284 HydrophobicContact CB-CE3 4.41Å; L180-W284 HydrophobicContact CB-CH2 4.03Å; L180-W284 HydrophobicContact CB-CZ2 4.37Å; L180-W284 HydrophobicContact CB-CZ3 4.05Å; L180-W284 HydrophobicContact CD1-CD2 4.3Å; L180-W284 HydrophobicContact CD1-CE3 3.42Å; L180-W284 VanDerWaalsContact CD1-CE3 3.42Å; L180-W284 HydrophobicContact CD1-CH2 4.25Å; L180-W284 HydrophobicContact CD1-CZ3 3.41Å; L180-W284 VanDerWaalsContact CD1-CZ3 3.41Å; L180-W284 HydrophobicContact CG-CE3 4.48Å; L180-W284 HydrophobicContact CG-CZ3 4.33Å; L234-W284 HydrophobicContact CB-CG 4.36Å; L234-W284 HydrophobicContact CD1-CD2 4.37Å; L234-W284 HydrophobicContact CD1-CG 4.19Å; I236-W284 HydrophobicContact CD1-CB 3.57Å; I236-W284 HydrophobicContact CD1-CG 4.42Å; I236-W284 HydrophobicContact CG1-CB 3.93Å; W284-M287 PolarHBondContact O-N 2.53Å; W284-L288 HydrophobicContact CE3-CD1 4.02Å; W284-L288 HydrophobicContact CZ3-CD1 4.45Å; W284-L288 WeakPolarHBondContact O-CG 3.42Å; W284-L288 PolarHBondContact O-N 3.21Å; W284-L288 VanDerWaalsContact O-N 3.13Å
285Q83.5Confident68.8Low92 Ų9274.3 Ų74.343%0.4337%0.368SS..Hα-helixtrans-64.2-52.1178.5-176.4178.9-2600112.2S283 M287 L288 E289S283-Q285 PolarHBondContact O-N 2.91Å; S283-Q285 VanDerWaalsContact O-N 3.08Å; Q285-M287 PolarHBondContact O-N 2.77Å; Q285-L288 PolarHBondContact O-N 2.91Å; Q285-E289 WeakPolarHBondContact CG-OE1 3.08Å; Q285-E289 PolarHBondContact NE2-OE1 3.4Å; Q285-E289 WeakPolarHBondContact O-CG 3.48Å; Q285-E289 PolarHBondContact O-N 3.23Å
286E82.3Confident70.6Confident97 Ų9770.4 Ų70.445%0.45335%0.351SS..Hα-helixtrans-58.5-39177.9-73.9166.2-160.700111.8T282 S283 K290T282-E286 PolarHBondContact OG1-OE2 3.07Å; S283-E286 PolarHBondContact O-N 2.96Å; S283-E286 WeakPolarHBondContact OG-CG 3.18Å; S283-E286 PolarHBondContact OG-N 3.46Å; E286-K290 WeakPolarHBondContact O-CB 3.36Å; E286-K290 PolarHBondContact O-N 3.39Å
287M82.1Confident72.6Confident66 Ų6668.2 Ų68.233%0.32534%0.337SS..Hα-helixtrans-62.9-44.5178.3-178.4177.8-67.400111.6I236 L238 A281 S283 W284 Q285 A291I236-M287 HydrophobicContact CB-SD 4.23Å; I236-M287 HydrophobicContact CG2-SD 4.4Å; L238-M287 HydrophobicContact CD1-CG 3.53Å; L238-M287 HydrophobicContact CD1-SD 4Å; L238-M287 HydrophobicContact CG-SD 4.49Å; A281-M287 HydrophobicContact CB-CB 4.27Å; A281-M287 HydrophobicContact CB-CE 3.94Å; S283-M287 PolarHBondContact O-N 3.11Å; W284-M287 PolarHBondContact O-N 2.53Å; Q285-M287 PolarHBondContact O-N 2.77Å; M287-A291 PolarHBondContact O-N 2.9Å; M287-A291 VanDerWaalsContact O-N 3.13Å
288L85.7Confident74.6Confident0 Ų069.8 Ų69.80%033%0.332CS..Hα-helixtrans-71.5-40.9179.1-67.8175.1000112.4L180 W184 L197 F205 I236 L238 W284 Q285 K290 A291 Q292L180-L288 HydrophobicContact CD1-CD1 3.36Å; W184-L288 HydrophobicContact CD2-CB 4.36Å; W184-L288 HydrophobicContact CD2-CD1 3.74Å; W184-L288 HydrophobicContact CE3-CD1 4.34Å; W184-L288 HydrophobicContact CG-CD1 3.97Å; W184-L288 HydrophobicContact CH2-CB 3.4Å; W184-L288 VanDerWaalsContact CH2-CB 3.4Å; W184-L288 HydrophobicContact CH2-CG 4.44Å; W184-L288 WeakPolarHBondContact CH2-O 3.28Å; W184-L288 HydrophobicContact CZ2-CB 3.22Å; W184-L288 HydrophobicContact CZ2-CD1 4.01Å; W184-L288 HydrophobicContact CZ2-CG 4.24Å; W184-L288 HydrophobicContact CZ3-CB 4.1Å; L197-L288 HydrophobicContact CD2-CB 4.39Å; L197-L288 HydrophobicContact CD2-CD2 3.52Å; F205-L288 HydrophobicContact CB-CD2 4.46Å; F205-L288 HydrophobicContact CD1-CD2 3.96Å; F205-L288 HydrophobicContact CD2-CD2 3.86Å; F205-L288 HydrophobicContact CE1-CD2 3.97Å; F205-L288 HydrophobicContact CE2-CD1 4.08Å; F205-L288 HydrophobicContact CE2-CD2 3.89Å; F205-L288 HydrophobicContact CG-CD2 3.86Å; F205-L288 HydrophobicContact CZ-CD1 3.89Å; F205-L288 HydrophobicContact CZ-CD2 3.93Å; I236-L288 HydrophobicContact CD1-CD1 3.48Å; I236-L288 VanDerWaalsContact CD1-CD1 3.48Å; I236-L288 HydrophobicContact CD1-CD2 3.83Å; I236-L288 HydrophobicContact CD1-CG 3.58Å; I236-L288 HydrophobicContact CG2-CD2 3.83Å; L238-L288 HydrophobicContact CD2-CD2 4.27Å; W284-L288 HydrophobicContact CE3-CD1 4.02Å; W284-L288 HydrophobicContact CZ3-CD1 4.45Å; W284-L288 WeakPolarHBondContact O-CG 3.42Å; W284-L288 PolarHBondContact O-N 3.21Å; W284-L288 VanDerWaalsContact O-N 3.13Å; Q285-L288 PolarHBondContact O-N 2.91Å; L288-K290 VanDerWaalsContact C-N 3.27Å; L288-K290 PolarHBondContact O-N 2.92Å; L288-A291 WeakPolarHBondContact O-CB 3.21Å; L288-A291 PolarHBondContact O-N 3.07Å; L288-A291 VanDerWaalsContact O-N 3.11Å; L288-Q292 PolarHBondContact O-N 3.42Å
289E84.1Confident76.4Confident72 Ų7264.2 Ų64.234%0.33630%0.301SS..Hα-helixtrans-59.2-39.6175.3-74.8-179.3-16300111.7Q285 Q292 K293Q285-E289 WeakPolarHBondContact CG-OE1 3.08Å; Q285-E289 PolarHBondContact NE2-OE1 3.4Å; Q285-E289 WeakPolarHBondContact O-CG 3.48Å; Q285-E289 PolarHBondContact O-N 3.23Å; E289-Q292 PolarHBondContact O-N 2.79Å; E289-K293 WeakPolarHBondContact O-CG 3.33Å; E289-K293 PolarHBondContact O-N 2.97Å
290K83.4Confident78.4Confident39 Ų3959.4 Ų59.417%0.1728%0.283CS..Hα-helixtrans-64.8-41.8174.7-171.6-169.1178.6-151.30112K243 Q245 C276 E286 L288 K293 T294K243-K290 PolarHBondContact O-NZ 3.21Å; Q245-K290 HydrophobicContact CG-CG 4.23Å; Q245-K290 VanDerWaalsContact OE1-CE 3.29Å; C276-K290 VanDerWaalsContact SG-CE 3.59Å; C276-K290 PolarHBondContact SG-NZ 3.02Å; E286-K290 WeakPolarHBondContact O-CB 3.36Å; E286-K290 PolarHBondContact O-N 3.39Å; L288-K290 VanDerWaalsContact C-N 3.27Å; L288-K290 PolarHBondContact O-N 2.92Å; K290-K293 PolarHBondContact O-N 2.91Å; K290-T294 WeakPolarHBondContact O-CB 3.35Å; K290-T294 PolarHBondContact O-N 3.49Å; K290-T294 PolarHBondContact O-OG1 2.93Å
291A85.2Confident80.3Confident0 Ų054.3 Ų54.30%027%0.266CS..Hα-helixtrans-63.3-42.5176.100000111.3L197 L238 L242 M287 L288 T294 L295L197-A291 HydrophobicContact CD1-CB 3.95Å; L197-A291 HydrophobicContact CD2-CB 4.16Å; L238-A291 HydrophobicContact CD1-CB 3.83Å; L238-A291 HydrophobicContact CD2-CB 3.96Å; L242-A291 HydrophobicContact CB-CB 4.26Å; M287-A291 PolarHBondContact O-N 2.9Å; M287-A291 VanDerWaalsContact O-N 3.13Å; L288-A291 WeakPolarHBondContact O-CB 3.21Å; L288-A291 PolarHBondContact O-N 3.07Å; L288-A291 VanDerWaalsContact O-N 3.11Å; A291-T294 WeakPolarHBondContact O-CB 3.2Å; A291-T294 PolarHBondContact O-N 2.9Å; A291-L295 WeakPolarHBondContact O-CB 3.48Å; A291-L295 PolarHBondContact O-N 2.68Å
292Q85.3Confident82Confident66 Ų6654.6 Ų54.631%0.30827%0.266SS..Hα-helixtrans-59.7-49174.3-95.9-178.3-16.100112.9W184 L197 L288 E289 T294 L295 L296W184-Q292 HydrophobicContact CH2-CB 4.27Å; W184-Q292 HydrophobicContact CH2-CG 3.42Å; W184-Q292 VanDerWaalsContact CH2-CG 3.42Å; W184-Q292 HydrophobicContact CZ3-CG 3.61Å; L197-Q292 VanDerWaalsContact O-CG 3.24Å; L197-Q292 WeakPolarHBondContact O-CG 3.29Å; L197-Q292 PolarHBondContact O-NE2 3.09Å; L288-Q292 PolarHBondContact O-N 3.42Å; E289-Q292 PolarHBondContact O-N 2.79Å; Q292-T294 PolarHBondContact O-N 3.5Å; Q292-L295 PolarHBondContact O-N 3.32Å; Q292-L295 VanDerWaalsContact O-N 3.14Å; Q292-L296 WeakPolarHBondContact O-CB 3.43Å; Q292-L296 PolarHBondContact O-N 3.38Å
293K83.7Confident83.4Confident121 Ų12155.6 Ų55.653%0.52627%0.267SS..Hα-helixtrans-58.3-40.6177.1-73.4170.7-177.7168.90111.7E289 K290 L296 C297E289-K293 WeakPolarHBondContact O-CG 3.33Å; E289-K293 PolarHBondContact O-N 2.97Å; K290-K293 PolarHBondContact O-N 2.91Å; K293-L296 PolarHBondContact O-N 3.49Å; K293-C297 PolarHBondContact O-N 3.43Å; K293-C297 PolarHBondContact O-SG 3.48Å
294T84.3Confident83.8Confident0 Ų058.6 Ų58.60%028%0.284CS..Hα-helixtrans-64.3-42.4177.5-60.70000111.4L242 K244 L246 K290 A291 Q292 C297 R298L242-T294 HydrophobicContact CD2-CG2 4.39Å; K244-T294 VanDerWaalsContact O-CG2 3.27Å; K244-T294 WeakPolarHBondContact O-CG2 3.36Å; K244-T294 PolarHBondContact O-OG1 2.93Å; K244-T294 VanDerWaalsContact O-OG1 3.08Å; L246-T294 HydrophobicContact CB-CG2 4.03Å; L246-T294 HydrophobicContact CD1-CG2 3.7Å; L246-T294 HydrophobicContact CG-CG2 3.79Å; L246-T294 PolarHBondContact N-OG1 3.37Å; K290-T294 WeakPolarHBondContact O-CB 3.35Å; K290-T294 PolarHBondContact O-N 3.49Å; K290-T294 PolarHBondContact O-OG1 2.93Å; A291-T294 WeakPolarHBondContact O-CB 3.2Å; A291-T294 PolarHBondContact O-N 2.9Å; Q292-T294 PolarHBondContact O-N 3.5Å; T294-C297 PolarHBondContact O-N 3.43Å; T294-R298 PolarHBondContact O-N 3.42Å; T294-R298 VanDerWaalsContact O-N 3.11Å
295L83.5Confident83.8Confident11 Ų1165.9 Ų65.96%0.05831%0.312CS..Hα-helixtrans-66.6-45.1177.2-178.163000112.1F199 N203 L242 A291 Q292 C297 R298 E299F199-L295 HydrophobicContact CB-CD2 3.87Å; F199-L295 HydrophobicContact CB-CG 4.21Å; N203-L295 HydrophobicContact CB-CD2 4Å; N203-L295 WeakPolarHBondContact ND2-CD1 3.38Å; N203-L295 WeakPolarHBondContact ND2-CD2 3.38Å; L242-L295 HydrophobicContact CD2-CB 4.41Å; A291-L295 WeakPolarHBondContact O-CB 3.48Å; A291-L295 PolarHBondContact O-N 2.68Å; Q292-L295 PolarHBondContact O-N 3.32Å; Q292-L295 VanDerWaalsContact O-N 3.14Å; L295-C297 VanDerWaalsContact C-N 3.31Å; L295-C297 PolarHBondContact O-N 2.92Å; L295-R298 WeakPolarHBondContact O-CB 3.2Å; L295-R298 PolarHBondContact O-N 2.94Å; L295-E299 PolarHBondContact O-N 2.94Å
296L83.8Confident83.8Confident69 Ų6968.1 Ų68.136%0.36132%0.32SS..Hα-helixtrans-56.9-45174.7177.265.2000111.3F199 Q292 K293 R298 E299 L300F199-L296 HydrophobicContact CE1-CD1 4.27Å; F199-L296 HydrophobicContact CE2-CB 4.3Å; F199-L296 HydrophobicContact CE2-CD1 4.01Å; F199-L296 HydrophobicContact CZ-CD1 3.79Å; Q292-L296 WeakPolarHBondContact O-CB 3.43Å; Q292-L296 PolarHBondContact O-N 3.38Å; K293-L296 PolarHBondContact O-N 3.49Å; L296-R298 VanDerWaalsContact C-N 3.31Å; L296-R298 PolarHBondContact O-N 3.38Å; L296-E299 PolarHBondContact O-N 2.9Å; L296-L300 HydrophobicContact CD1-CD1 4.4Å; L296-L300 HydrophobicContact CD1-CG 4.39Å; L296-L300 HydrophobicContact CG-CD1 4.12Å; L296-L300 WeakPolarHBondContact O-CG 3.24Å; L296-L300 PolarHBondContact O-N 3.22Å
297C83.6Confident83.7Confident16 Ų1667.4 Ų67.411%0.10832%0.323CS..Hα-helixtrans-59.5-42.2175.8-69.30000111.5L246 K293 T294 L295 L300 F301L246-C297 HydrophobicContact CB-CB 4.04Å; K293-C297 PolarHBondContact O-N 3.43Å; K293-C297 PolarHBondContact O-SG 3.48Å; T294-C297 PolarHBondContact O-N 3.43Å; L295-C297 VanDerWaalsContact C-N 3.31Å; L295-C297 PolarHBondContact O-N 2.92Å; C297-L300 PolarHBondContact O-N 3.04Å; C297-F301 WeakPolarHBondContact O-CB 3.29Å; C297-F301 WeakPolarHBondContact O-CD2 3.21Å; C297-F301 PolarHBondContact O-N 3.34Å
298R83.3Confident83.3Confident101 Ų10166.7 Ų66.738%0.38133%0.332SS..Hα-helixtrans-61.9-42.5176.2-75.5179.6162.6-165.2-7.8112.2D241 L246 T294 L295 L296 F301 S302D241-R298 IonicContact OD2-CZ 2.98Å; D241-R298 IonicContact OD2-NH1 2.71Å; D241-R298 PolarHBondContact OD2-NH1 3.19Å; D241-R298 IonicContact OD2-NH2 3.91Å; D241-R298 PolarHBondContact OD2-NH2 2.89Å; L246-R298 HydrophobicContact CD1-CG 3.6Å; T294-R298 PolarHBondContact O-N 3.42Å; T294-R298 VanDerWaalsContact O-N 3.11Å; L295-R298 WeakPolarHBondContact O-CB 3.2Å; L295-R298 PolarHBondContact O-N 2.94Å; L296-R298 VanDerWaalsContact C-N 3.31Å; L296-R298 PolarHBondContact O-N 3.38Å; R298-F301 PolarHBondContact O-N 3.44Å; R298-S302 WeakPolarHBondContact O-CB 3.36Å; R298-S302 PolarHBondContact O-N 3.03Å
299E83Confident82.3Confident53 Ų5375.6 Ų75.625%0.24837%0.366CS..Hα-helixtrans-63.9-46.8176.2-69.6-139142.100111.7F199 L295 L296 F301 S302 I303F199-E299 HydrophobicContact CB-CG 4.33Å; F199-E299 VanDerWaalsContact CD1-OE2 3.29Å; F199-E299 WeakPolarHBondContact CD1-OE2 3.4Å; L295-E299 PolarHBondContact O-N 2.94Å; L296-E299 PolarHBondContact O-N 2.9Å; E299-F301 PolarHBondContact O-N 3.18Å; E299-S302 WeakPolarHBondContact O-CB 3.47Å; E299-S302 PolarHBondContact O-N 3.49Å; E299-S302 VanDerWaalsContact O-N 3.09Å; E299-I303 WeakPolarHBondContact O-CG1 3.32Å; E299-I303 PolarHBondContact O-N 2.71Å
300L85.6Confident81.1Confident70 Ų7080.8 Ų80.837%0.36639%0.387SS..Hα-helixtrans-57.9-47176.5-71.9171.9000111.6L248 L296 C297 S302 I303 V304L248-L300 HydrophobicContact CD2-CB 4.25Å; L248-L300 HydrophobicContact CD2-CD1 4.23Å; L296-L300 HydrophobicContact CD1-CD1 4.4Å; L296-L300 HydrophobicContact CD1-CG 4.39Å; L296-L300 HydrophobicContact CG-CD1 4.12Å; L296-L300 WeakPolarHBondContact O-CG 3.24Å; L296-L300 PolarHBondContact O-N 3.22Å; C297-L300 PolarHBondContact O-N 3.04Å; L300-S302 VanDerWaalsContact C-N 3.3Å; L300-S302 PolarHBondContact O-N 2.8Å; L300-I303 PolarHBondContact O-N 3.4Å; L300-V304 WeakPolarHBondContact O-CG2 3.47Å; L300-V304 PolarHBondContact O-N 3.46Å
301F83Confident79.5Confident106 Ų10682.3 Ų82.347%0.46541%0.407SS..Hα-helixtrans-60.3-39175.1-89.7-68.6000112.5L248 C297 R298 E299 V304 R305L248-F301 HydrophobicContact CB-CE2 4.17Å; L248-F301 HydrophobicContact CD1-CD1 4.17Å; L248-F301 HydrophobicContact CD1-CD2 4.07Å; L248-F301 HydrophobicContact CD1-CE1 3.56Å; L248-F301 HydrophobicContact CD1-CE2 3.44Å; L248-F301 VanDerWaalsContact CD1-CE2 3.44Å; L248-F301 HydrophobicContact CD1-CG 4.41Å; L248-F301 HydrophobicContact CD1-CZ 3.16Å; L248-F301 HydrophobicContact CG-CE2 4.39Å; L248-F301 HydrophobicContact CG-CZ 4.44Å; C297-F301 WeakPolarHBondContact O-CB 3.29Å; C297-F301 WeakPolarHBondContact O-CD2 3.21Å; C297-F301 PolarHBondContact O-N 3.34Å; R298-F301 PolarHBondContact O-N 3.44Å; E299-F301 PolarHBondContact O-N 3.18Å; F301-V304 PolarHBondContact O-N 2.86Å; F301-R305 VanDerWaalsContact O-CB 3.29Å; F301-R305 WeakPolarHBondContact O-CB 3.48Å; F301-R305 PolarHBondContact O-N 3.03Å
302S83Confident77.6Confident50 Ų5087 Ų8735%0.3544%0.438SS..Hα-helixtrans-64.3-41.7176.2-172.90000111.8R298 E299 L300 R305 K306R298-S302 WeakPolarHBondContact O-CB 3.36Å; R298-S302 PolarHBondContact O-N 3.03Å; E299-S302 WeakPolarHBondContact O-CB 3.47Å; E299-S302 PolarHBondContact O-N 3.49Å; E299-S302 VanDerWaalsContact O-N 3.09Å; L300-S302 VanDerWaalsContact C-N 3.3Å; L300-S302 PolarHBondContact O-N 2.8Å; S302-R305 PolarHBondContact O-N 3.26Å; S302-K306 VanDerWaalsContact O-CG 3.29Å; S302-K306 WeakPolarHBondContact O-CG 3.49Å; S302-K306 PolarHBondContact O-N 2.99Å
303I84.6Confident75.9Confident92 Ų9289.1 Ų89.147%0.47247%0.467SS..Hα-helixtrans-63.4-51175.5-66.2164.7000110.2E299 L300 R305 K306 T307E299-I303 WeakPolarHBondContact O-CG1 3.32Å; E299-I303 PolarHBondContact O-N 2.71Å; L300-I303 PolarHBondContact O-N 3.4Å; I303-R305 VanDerWaalsContact C-N 3.3Å; I303-R305 PolarHBondContact O-N 3.28Å; I303-K306 WeakPolarHBondContact O-CB 3.49Å; I303-K306 PolarHBondContact O-N 2.93Å; I303-T307 HydrophobicContact CG2-CG2 4.31Å; I303-T307 PolarHBondContact O-N 2.85Å; I303-T307 PolarHBondContact O-OG1 3.42Å
304V84.5Confident73.6Confident89 Ų8992.2 Ų92.254%0.53948%0.48SS..Hα-helixtrans-58.5-41.1178.71730000111.4L300 F301 K306 T307 G308L300-V304 WeakPolarHBondContact O-CG2 3.47Å; L300-V304 PolarHBondContact O-N 3.46Å; F301-V304 PolarHBondContact O-N 2.86Å; V304-K306 VanDerWaalsContact C-N 3.33Å; V304-K306 PolarHBondContact O-N 2.94Å; V304-T307 WeakPolarHBondContact CA-OG1 3.42Å; V304-T307 PolarHBondContact O-N 3.01Å; V304-T307 PolarHBondContact O-OG1 3.46Å; V304-T307 VanDerWaalsContact O-OG1 3.04Å; V304-G308 PolarHBondContact O-N 3.49Å
305R81.5Confident71.1Confident173 Ų173101 Ų10165%0.65352%0.523SS*.Hα-helixtrans-64.4-36.4175.6-174.9-178.9175.7107.3-5112.3F301 S302 I303 R309F301-R305 VanDerWaalsContact O-CB 3.29Å; F301-R305 WeakPolarHBondContact O-CB 3.48Å; F301-R305 PolarHBondContact O-N 3.03Å; S302-R305 PolarHBondContact O-N 3.26Å; I303-R305 VanDerWaalsContact C-N 3.3Å; I303-R305 PolarHBondContact O-N 3.28Å; R305-R309 PolarHBondContact O-N 2.94Å
306K84.4Confident68.8Low139 Ų139112.6 Ų112.660%0.60458%0.584SS**Hα-helixtrans-73.3-41.3177.5-75173.5-177.5178.20112.1S302 I303 V304S302-K306 VanDerWaalsContact O-CG 3.29Å; S302-K306 WeakPolarHBondContact O-CG 3.49Å; S302-K306 PolarHBondContact O-N 2.99Å; I303-K306 WeakPolarHBondContact O-CB 3.49Å; I303-K306 PolarHBondContact O-N 2.93Å; V304-K306 VanDerWaalsContact C-N 3.33Å; V304-K306 PolarHBondContact O-N 2.94Å
307T79.4Confident68Low82 Ų82114.8 Ų114.850%0.50360%0.595SS.*Hα-helixtrans-70.1-39.2177.753.70000111.5I303 V304 R309 K310 A311I303-T307 HydrophobicContact CG2-CG2 4.31Å; I303-T307 PolarHBondContact O-N 2.85Å; I303-T307 PolarHBondContact O-OG1 3.42Å; V304-T307 WeakPolarHBondContact CA-OG1 3.42Å; V304-T307 PolarHBondContact O-N 3.01Å; V304-T307 PolarHBondContact O-OG1 3.46Å; V304-T307 VanDerWaalsContact O-OG1 3.04Å; T307-R309 VanDerWaalsContact C-N 3.27Å; T307-R309 PolarHBondContact O-N 3.06Å; T307-K310 WeakPolarHBondContact O-CA 3.21Å; T307-K310 PolarHBondContact O-N 3.02Å; T307-A311 PolarHBondContact O-N 3.47Å
308G75.1Confident67.2Low51 Ų51120 Ų12053%0.52662%0.621SS.*Hα-helixtrans-60.4-31.9175.900000114V304 K310V304-G308 PolarHBondContact O-N 3.49Å; G308-K310 VanDerWaalsContact C-N 3.32Å
309R63.6Low66.3Low188 Ų188121.1 Ų121.171%0.70963%0.634SS**THydrogen-bonded Turntrans-74.2-20.6172.8-72.4-177.6-174-171.7-2.5114R305 T307R305-R309 PolarHBondContact O-N 2.94Å; T307-R309 VanDerWaalsContact C-N 3.27Å; T307-R309 PolarHBondContact O-N 3.06Å
310K59.4Low65.3Low180 Ų180125.1 Ų125.178%0.78366%0.657SS**THydrogen-bonded Turntrans-94.4-2.9-179.4-72.6-171177-172.10113.2T307 G308 P312T307-K310 WeakPolarHBondContact O-CA 3.21Å; T307-K310 PolarHBondContact O-N 3.02Å; G308-K310 VanDerWaalsContact C-N 3.32Å; K310-P312 WeakPolarHBondContact O-CD 2.93Å
311A50.6Low64Low71 Ų71128.5 Ų128.559%0.58768%0.675SS**SBendtrans-82.298.5166.400000108.1T307 A313T307-A311 PolarHBondContact O-N 3.47Å; A311-A313 PolarHBondContact O-N 3.41Å
312P45.2Very low62.8Low99 Ų99130 Ų13064%0.64369%0.689SS**  trans-61.4138.2165.828.9-34.4000107.8K310 K314K310-P312 WeakPolarHBondContact O-CD 2.93Å; P312-K314 PolarHBondContact O-N 2.72Å
313A48.1Very low61.3Low111 Ų111135.7 Ų135.792%0.91771%0.713SS**SBendtrans-52.385.8167.300000110.7A311A311-A313 PolarHBondContact O-N 3.41Å
314K35.1Very low59.6Low186 Ų186139.1 Ų139.181%0.80973%0.732SS**  trans-131.773.3170-84.7-168.2174.7-176.30107.3P312P312-K314 PolarHBondContact O-N 2.72Å
315M33.6Very low57.5Low185 Ų185143.3 Ų143.391%0.91175%0.748SS**  trans-170.6117.2150.3-107.317817500107.2
316L33.6Very low55.3Low254 Ų254140.5 Ų140.5100%1.3376%0.757SS**  trans81.30-172.6-60.3168.1000115.8

Retrieved 316 of 316 residues in 158.8 ms (Link to these results)