D3Z1C5_MOUSE Loading...

LIM domain binding 1

AlphaFold DB , UniProt , Accession D3Z1C5, Species MOUSE (Mus musculus, Mouse), Gene Ldb1, Length 373 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M48.2Very low44.4Very low247 Ų247150.6 Ų150.6100%1.21783%0.83SS**  093.30-83.1167.7166.700107
2L41.4Very low44.1Very low178 Ų178156.5 Ų156.593%0.93283%0.833SS**  trans-133.5122177.5-89.2163.8000108
3D42.5Very low44.2Very low148 Ų148152.5 Ų152.579%0.79182%0.821SS**  trans-64.1137.4168.6-145.3-45.9000110
4R45.5Very low43.9Very low204 Ų204149.5 Ų149.577%0.7781%0.813SS**  166.4149.1122.4-95.2175.876.3170.14.9114.9
5D41.9Very low43.6Very low131 Ų131147.9 Ų147.970%0.70181%0.81SS**  trans96.996.7150.9-61.3-28000118.2
6V50Low43.4Very low151 Ų151152.1 Ų152.192%0.91581%0.812SS**  trans-55.7125.1159.41760000110.3
7G39.7Very low43.3Very low61 Ų61152.4 Ų152.463%0.62981%0.813SS**  trans-129.4153.2165.100000110
8P45Very low43.1Very low125 Ų125153.3 Ų153.381%0.81281%0.812SS**  trans-79141.7-148.831.5-34.6000113.5P10P8-P10 WeakPolarHBondContact O-CD 3.48Å
9T48.9Very low43.3Very low124 Ų124152.5 Ų152.576%0.76182%0.816SS**  trans-59.7125.4165.834.30000110.6M11T9-M11 PolarHBondContact O-N 3.2Å
10P43.9Very low43.3Very low115 Ų115147.8 Ų147.875%0.74781%0.806SS**  trans-70114.2165.4-11.526.8000108.4P8 Y12P8-P10 WeakPolarHBondContact O-CD 3.48Å; P10-Y12 PolarHBondContact O-N 3.16Å; P10-Y12 VanDerWaalsContact O-N 3.16Å
11M41.4Very low43.4Very low173 Ų173148.1 Ų148.185%0.85281%0.805SS**  trans-60.3112.2169.8-70.4-79.9-84.400108.8T9T9-M11 PolarHBondContact O-N 3.2Å
12Y41.1Very low42.9Very low221 Ų221139.4 Ų139.487%0.86778%0.779SS**  trans-65.1127160.4-76.4-91000108P10P10-Y12 PolarHBondContact O-N 3.16Å; P10-Y12 VanDerWaalsContact O-N 3.16Å
13P44.6Very low42.6Very low105 Ų105142.4 Ų142.468%0.68278%0.778SS**  trans-68.3134.1164.428-29000107.9T15P13-T15 PolarHBondContact O-N 3.02Å
14P40Very low42.6Very low110 Ų110143.2 Ų143.271%0.71478%0.776SS**  trans-69.1106.8173.520.1-17.5000107.8Y16P14-Y16 PolarHBondContact O-N 3.4Å
15T39.3Very low42.4Very low125 Ų125137.6 Ų137.677%0.76777%0.765SS**  trans-65.789.2162.748.40000107.1P13 L17P13-T15 PolarHBondContact O-N 3.02Å; T15-L17 VanDerWaalsContact C-N 3.34Å; T15-L17 PolarHBondContact O-N 2.94Å
16Y41.5Very low42.6Very low215 Ų215137.5 Ų137.584%0.84377%0.772SS**  trans-53.5106.4156.2-94.2-94.8000106.3P14 E18P14-Y16 PolarHBondContact O-N 3.4Å; Y16-E18 VanDerWaalsContact C-N 3.31Å; Y16-E18 PolarHBondContact O-N 3.46Å
17L41.8Very low42.5Very low157 Ų157137 Ų13782%0.82275%0.754SS**  trans-63.898.6167.5-76.9159.9000106.7T15 P19T15-L17 VanDerWaalsContact C-N 3.34Å; T15-L17 PolarHBondContact O-N 2.94Å; L17-P19 WeakPolarHBondContact O-CD 3.46Å
18E39.7Very low42.8Very low170 Ų170137 Ų13779%0.79476%0.755SS**  trans-59.8115.1165.8-168.4176.5166.800108.3Y16 G20Y16-E18 VanDerWaalsContact C-N 3.31Å; Y16-E18 PolarHBondContact O-N 3.46Å; E18-G20 VanDerWaalsContact C-N 3.28Å; E18-G20 PolarHBondContact O-N 3.48Å
19P45.9Very low43.8Very low137 Ų137135.1 Ų135.189%0.8974%0.738SS**SBendtrans-78.781.5177-5.924.3000108.4L17L17-P19 WeakPolarHBondContact O-CD 3.46Å
20G43.4Very low45.4Very low59 Ų59132.3 Ų132.361%0.60872%0.716SS**  trans-157.60.2-172.100000117.8E18E18-G20 VanDerWaalsContact C-N 3.28Å; E18-G20 PolarHBondContact O-N 3.48Å
21I45.1Very low47.5Very low154 Ų154126.9 Ų126.979%0.7968%0.681SS**SBendtrans-133100.4175.6-55.4174.9000107.5R23I21-R23 PolarHBondContact O-N 3.44Å
22G37.1Very low49.8Very low65 Ų65120.6 Ų120.667%0.6765%0.651SS**  trans-46.5127171.100000109.2H24G22-H24 PolarHBondContact O-N 3.28Å
23R35.9Very low52.2Low240 Ų240116.1 Ų116.191%0.90663%0.633SS**  trans-54.6106.3169.9-68.1-179.1175.8-164-1.4106.9I21 T25I21-R23 PolarHBondContact O-N 3.44Å; R23-T25 PolarHBondContact O-N 3.18Å
24H43Very low54.7Low165 Ų165112.5 Ų112.576%0.76461%0.606SS**  trans-60.597.2160.3-89.9-82.3000106.3G22G22-H24 PolarHBondContact O-N 3.28Å
25T41.7Very low57.4Low86 Ų86107.5 Ų107.553%0.52857%0.573SS.*  trans-51.7135.8155.232.90000107.3R23 Y27R23-T25 PolarHBondContact O-N 3.18Å; T25-Y27 VanDerWaalsContact C-N 3.34Å; T25-Y27 WeakPolarHBondContact O-CD2 3.5Å; T25-Y27 PolarHBondContact O-N 2.84Å
26P45.7Very low60.1Low130 Ų130107.1 Ų107.184%0.84456%0.561SS**  trans-65.1101.9173.826.6-29.4000106.9G28P26-G28 PolarHBondContact O-N 2.97Å
27Y46.8Very low62.7Low139 Ų13999.5 Ų99.555%0.54553%0.533SS..  trans-70.260.2176.9-74.2-78.7000110.3T25 N29 Q30T25-Y27 VanDerWaalsContact C-N 3.34Å; T25-Y27 WeakPolarHBondContact O-CD2 3.5Å; T25-Y27 PolarHBondContact O-N 2.84Å; Y27-N29 PolarHBondContact O-N 3.33Å; Y27-Q30 HydrophobicContact CD1-CG 4.33Å
28G47.3Very low65.4Low63 Ų6392 Ų9265%0.64949%0.494SS*.  trans-69.9114.7175.500000110.4P26P26-G28 PolarHBondContact O-N 2.97Å
29N65.3Low68.2Low85 Ų8585 Ų8546%0.45546%0.462SS..  trans50.857.2165.8-60.511.2000116.7Y27 T31 D32 Y33 E112Y27-N29 PolarHBondContact O-N 3.33Å; N29-T31 VanDerWaalsContact C-N 3.25Å; N29-T31 PolarHBondContact O-N 3.31Å; N29-D32 HydrophobicContact CB-CB 3.9Å; N29-D32 WeakPolarHBondContact CB-OD2 3.45Å; N29-D32 VanDerWaalsContact CG-OD2 3.29Å; N29-D32 PolarHBondContact ND2-OD2 3.5Å; N29-D32 PolarHBondContact O-N 3.2Å; N29-Y33 PolarHBondContact O-N 3.5Å; N29-E112 WeakPolarHBondContact CA-OE1 3.46Å
30Q82.1Confident70.6Confident65 Ų6584.2 Ų84.230%0.30444%0.444SS..Hα-helixtrans-61.3-33.7174.9-72177.577.200112.5Y27 R34 M156Y27-Q30 HydrophobicContact CD1-CG 4.33Å; Q30-R34 PolarHBondContact O-N 2.81Å; Q30-M156 HydrophobicContact CB-CE 4.45Å
31T88Confident73.2Confident1 Ų184.1 Ų84.11%0.00643%0.426CS..Hα-helixtrans-77.7-32-178.465.60000112.4N29 Y33 R34 I35 E112 V119 L121 F150 M156N29-T31 VanDerWaalsContact C-N 3.25Å; N29-T31 PolarHBondContact O-N 3.31Å; T31-Y33 VanDerWaalsContact C-N 3.31Å; T31-Y33 PolarHBondContact O-N 3.03Å; T31-R34 WeakPolarHBondContact O-CB 3.47Å; T31-R34 PolarHBondContact O-N 3.46Å; T31-I35 PolarHBondContact O-N 3.01Å; T31-E112 WeakPolarHBondContact CB-OE1 3.11Å; T31-E112 PolarHBondContact N-OE1 2.6Å; T31-E112 WeakPolarHBondContact OG1-CG 3.16Å; T31-E112 PolarHBondContact OG1-OE1 2.91Å; T31-V119 HydrophobicContact CG2-CB 4.03Å; T31-V119 HydrophobicContact CG2-CG1 3.61Å; T31-L121 VanDerWaalsContact OG1-CD1 3.26Å; T31-L121 WeakPolarHBondContact OG1-CD1 3.49Å; T31-F150 HydrophobicContact CG2-CD2 3.63Å; T31-F150 HydrophobicContact CG2-CE2 3.98Å; T31-F150 HydrophobicContact CG2-CG 4.15Å; T31-M156 HydrophobicContact CG2-CE 3.61Å
32D89.3Confident75.7Confident40 Ų4077 Ų7721%0.21439%0.389CS..Hα-helixtrans-63.5-38.6172-68.2-20.2000111.9N29 R34 I35 F36 P110 L121N29-D32 HydrophobicContact CB-CB 3.9Å; N29-D32 WeakPolarHBondContact CB-OD2 3.45Å; N29-D32 VanDerWaalsContact CG-OD2 3.29Å; N29-D32 PolarHBondContact ND2-OD2 3.5Å; N29-D32 PolarHBondContact O-N 3.2Å; D32-R34 VanDerWaalsContact C-N 3.28Å; D32-R34 PolarHBondContact O-N 3.1Å; D32-I35 PolarHBondContact O-N 3.42Å; D32-I35 VanDerWaalsContact O-N 3.13Å; D32-F36 PolarHBondContact O-N 2.92Å; D32-P110 WeakPolarHBondContact OD1-CG 3.33Å; D32-L121 WeakPolarHBondContact OD1-CD1 3.2Å
33Y93.4Very high78.4Confident128 Ų12880.7 Ų80.750%0.50239%0.389SS..Hα-helixtrans-61.9-36.9177.2-177.3-102.8000111.8N29 T31 I35 F36 E37N29-Y33 PolarHBondContact O-N 3.5Å; T31-Y33 VanDerWaalsContact C-N 3.31Å; T31-Y33 PolarHBondContact O-N 3.03Å; Y33-I35 VanDerWaalsContact C-N 3.3Å; Y33-I35 PolarHBondContact O-N 3.04Å; Y33-F36 HydrophobicContact CD2-CD1 4.1Å; Y33-F36 AromaticContact CE2-CD1 3.89Å; Y33-F36 HydrophobicContact CE2-CD1 3.89Å; Y33-F36 HydrophobicContact CE2-CE1 4.27Å; Y33-F36 WeakPolarHBondContact O-CB 3.36Å; Y33-F36 PolarHBondContact O-N 2.67Å; Y33-E37 HydrophobicContact CD1-CG 4.17Å; Y33-E37 HydrophobicContact CE1-CG 3.65Å; Y33-E37 WeakPolarHBondContact CE1-OE1 3.22Å; Y33-E37 HydrophobicContact CE2-CG 4.44Å; Y33-E37 WeakPolarHBondContact O-CG 3.4Å; Y33-E37 PolarHBondContact O-N 3.23Å; Y33-E37 PolarHBondContact OH-OE1 2.71Å; Y33-E37 VanDerWaalsContact OH-OE1 3.08Å
34R95.6Very high81.2Confident29 Ų2974 Ų7411%0.10937%0.371CS..Hα-helixtrans-62.6-36.5174.2-66.8-65.6-68.7147.1-5.9112.6Q30 T31 D32 E37 L38 E60 F150 M155 M156Q30-R34 PolarHBondContact O-N 2.81Å; T31-R34 WeakPolarHBondContact O-CB 3.47Å; T31-R34 PolarHBondContact O-N 3.46Å; D32-R34 VanDerWaalsContact C-N 3.28Å; D32-R34 PolarHBondContact O-N 3.1Å; R34-E37 IonicContact CZ-OE2 3.78Å; R34-E37 IonicContact NH1-OE2 2.78Å; R34-E37 PolarHBondContact NH1-OE2 3.38Å; R34-E37 PolarHBondContact O-N 3.46Å; R34-L38 WeakPolarHBondContact O-CB 3.34Å; R34-L38 PolarHBondContact O-N 3.31Å; R34-E60 PolarHBondContact NH2-O 2.9Å; R34-F150 HydrophobicContact CB-CE1 3.86Å; R34-F150 HydrophobicContact CB-CZ 4.39Å; R34-F150 HydrophobicContact CG-CE1 4.36Å; R34-M155 PolarHBondContact NE-O 3.22Å; R34-M155 PolarHBondContact NH2-O 3.33Å; R34-M156 HydrophobicContact CG-CB 4.01Å; R34-M156 PolarHBondContact NE-O 3.16Å
35I96.8Very high83.6Confident5 Ų568.2 Ų68.23%0.02634%0.343CS..Hα-helixtrans-72.2-35.4175.2-59.8-64.3000111.6T31 D32 Y33 L38 N39 L107 L148 F150T31-I35 PolarHBondContact O-N 3.01Å; D32-I35 PolarHBondContact O-N 3.42Å; D32-I35 VanDerWaalsContact O-N 3.13Å; Y33-I35 VanDerWaalsContact C-N 3.3Å; Y33-I35 PolarHBondContact O-N 3.04Å; I35-L38 PolarHBondContact O-N 3.37Å; I35-N39 WeakPolarHBondContact O-CB 3.35Å; I35-N39 VanDerWaalsContact O-CG 3.26Å; I35-N39 PolarHBondContact O-N 3.11Å; I35-N39 PolarHBondContact O-ND2 3.25Å; I35-L107 HydrophobicContact CB-CD1 4.14Å; I35-L107 HydrophobicContact CG1-CD1 3.86Å; I35-L107 HydrophobicContact CG2-CD1 3.89Å; I35-L107 HydrophobicContact CG2-CG 4.32Å; I35-L148 HydrophobicContact CD1-CD1 3.43Å; I35-L148 VanDerWaalsContact CD1-CD1 3.43Å; I35-L148 HydrophobicContact CG1-CD1 4.04Å; I35-F150 HydrophobicContact CD1-CZ 4.22Å; I35-F150 HydrophobicContact CG1-CZ 4.38Å
36F96.2Very high86Confident116 Ų11667.5 Ų67.551%0.50934%0.338SS..Hα-helixtrans-60.3-46.2170169.6-95.9000112D32 Y33 N39 K40D32-F36 PolarHBondContact O-N 2.92Å; Y33-F36 HydrophobicContact CD2-CD1 4.1Å; Y33-F36 AromaticContact CE2-CD1 3.89Å; Y33-F36 HydrophobicContact CE2-CD1 3.89Å; Y33-F36 HydrophobicContact CE2-CE1 4.27Å; Y33-F36 WeakPolarHBondContact O-CB 3.36Å; Y33-F36 PolarHBondContact O-N 2.67Å; F36-N39 PolarHBondContact O-N 3.02Å; F36-K40 HydrophobicContact CE1-CD 4.44Å; F36-K40 WeakPolarHBondContact O-CB 3.49Å; F36-K40 PolarHBondContact O-N 3.46Å
37E97.1Very high88.1Confident55 Ų5569.6 Ų69.626%0.25734%0.336SS..Hα-helixtrans-62.7-41.9175.9-71.3-173136.700112.4Y33 R34 N39 K40 R41 F61Y33-E37 HydrophobicContact CD1-CG 4.17Å; Y33-E37 HydrophobicContact CE1-CG 3.65Å; Y33-E37 WeakPolarHBondContact CE1-OE1 3.22Å; Y33-E37 HydrophobicContact CE2-CG 4.44Å; Y33-E37 WeakPolarHBondContact O-CG 3.4Å; Y33-E37 PolarHBondContact O-N 3.23Å; Y33-E37 PolarHBondContact OH-OE1 2.71Å; Y33-E37 VanDerWaalsContact OH-OE1 3.08Å; R34-E37 IonicContact CZ-OE2 3.78Å; R34-E37 IonicContact NH1-OE2 2.78Å; R34-E37 PolarHBondContact NH1-OE2 3.38Å; R34-E37 PolarHBondContact O-N 3.46Å; E37-N39 PolarHBondContact O-N 3.04Å; E37-K40 WeakPolarHBondContact O-CB 3.1Å; E37-K40 PolarHBondContact O-N 3.09Å; E37-R41 PolarHBondContact O-N 2.88Å; E37-F61 HydrophobicContact CB-CE1 3.97Å; E37-F61 HydrophobicContact CB-CZ 4.31Å
38L97.9Very high90.2Very high0 Ų071.6 Ų71.60%035%0.351CS..Hα-helixtrans-58.1-49.3175.4-174.5156.5000110.8R34 I35 K40 R41 L42 F57 F61 Y105 I158 W161R34-L38 WeakPolarHBondContact O-CB 3.34Å; R34-L38 PolarHBondContact O-N 3.31Å; I35-L38 PolarHBondContact O-N 3.37Å; L38-K40 VanDerWaalsContact C-N 3.33Å; L38-K40 PolarHBondContact O-N 3.01Å; L38-R41 PolarHBondContact O-N 2.84Å; L38-L42 HydrophobicContact CD2-CD1 3.58Å; L38-L42 HydrophobicContact CD2-CG 4.25Å; L38-L42 WeakPolarHBondContact O-CG 3.34Å; L38-L42 PolarHBondContact O-N 2.53Å; L38-F57 HydrophobicContact CD1-CZ 4.4Å; L38-F57 HydrophobicContact CD2-CZ 4.23Å; L38-F57 HydrophobicContact CG-CE2 4.14Å; L38-F57 HydrophobicContact CG-CZ 3.95Å; L38-F61 HydrophobicContact CB-CD1 3.94Å; L38-F61 HydrophobicContact CB-CE1 3.87Å; L38-F61 HydrophobicContact CB-CG 4.3Å; L38-F61 HydrophobicContact CB-CZ 4.19Å; L38-F61 HydrophobicContact CD1-CB 4.23Å; L38-F61 HydrophobicContact CD1-CD1 4.36Å; L38-F61 HydrophobicContact CD1-CG 4.14Å; L38-F61 HydrophobicContact CG-CD1 4.38Å; L38-F61 HydrophobicContact CG-CD2 4.35Å; L38-F61 HydrophobicContact CG-CG 4.25Å; L38-Y105 HydrophobicContact CD2-CD2 4.08Å; L38-Y105 HydrophobicContact CD2-CE2 4.26Å; L38-I158 HydrophobicContact CD1-CD1 4.09Å; L38-W161 HydrophobicContact CD1-CZ3 3.93Å
39N97.9Very high92.3Very high22 Ų2269.6 Ų69.612%0.11833%0.327CS..Hα-helixtrans-60.3-43.3176.4-72-23.5000111.8I35 F36 E37 R41 L42 Q43 Y104 Y105I35-N39 WeakPolarHBondContact O-CB 3.35Å; I35-N39 VanDerWaalsContact O-CG 3.26Å; I35-N39 PolarHBondContact O-N 3.11Å; I35-N39 PolarHBondContact O-ND2 3.25Å; F36-N39 PolarHBondContact O-N 3.02Å; E37-N39 PolarHBondContact O-N 3.04Å; N39-R41 VanDerWaalsContact C-N 3.31Å; N39-R41 PolarHBondContact O-N 2.8Å; N39-L42 PolarHBondContact O-N 2.72Å; N39-Q43 WeakPolarHBondContact O-CG 3.35Å; N39-Q43 PolarHBondContact O-N 3.25Å; N39-Q43 VanDerWaalsContact O-N 3.12Å; N39-Y104 WeakPolarHBondContact OD1-CA 3.39Å; N39-Y105 PolarHBondContact ND2-O 3.39Å; N39-Y105 PolarHBondContact OD1-N 3.04Å
40K97.6Very high93.6Very high121 Ų12169.4 Ų69.453%0.52633%0.326SS..Hα-helixtrans-62.3-38.6177.3-172.9-179.4179.7-1750111.6F36 E37 L38 Q43F36-K40 HydrophobicContact CE1-CD 4.44Å; F36-K40 WeakPolarHBondContact O-CB 3.49Å; F36-K40 PolarHBondContact O-N 3.46Å; E37-K40 WeakPolarHBondContact O-CB 3.1Å; E37-K40 PolarHBondContact O-N 3.09Å; L38-K40 VanDerWaalsContact C-N 3.33Å; L38-K40 PolarHBondContact O-N 3.01Å; K40-Q43 WeakPolarHBondContact O-CB 3.27Å; K40-Q43 PolarHBondContact O-N 2.96Å
41R97.6Very high94.2Very high58 Ų5870.1 Ų70.122%0.21933%0.331CS..Hα-helixtrans-67.1-38.2176.6-16872.1174.496.71.6111.8E37 L38 N39 Q43 N44 F57 E60 F61E37-R41 PolarHBondContact O-N 2.88Å; L38-R41 PolarHBondContact O-N 2.84Å; N39-R41 VanDerWaalsContact C-N 3.31Å; N39-R41 PolarHBondContact O-N 2.8Å; R41-Q43 VanDerWaalsContact C-N 3.29Å; R41-Q43 PolarHBondContact O-N 3.29Å; R41-N44 WeakPolarHBondContact O-CB 3.31Å; R41-N44 PolarHBondContact O-N 2.68Å; R41-N44 VanDerWaalsContact O-N 3.16Å; R41-F57 HydrophobicContact CB-CD2 4.2Å; R41-F57 HydrophobicContact CB-CE2 4.3Å; R41-F57 HydrophobicContact CG-CD2 3.74Å; R41-F57 HydrophobicContact CG-CE2 4.33Å; R41-E60 IonicContact NE-OE2 2.92Å; R41-E60 PolarHBondContact NE-OE2 3.24Å; R41-F61 HydrophobicContact CB-CE2 3.72Å; R41-F61 HydrophobicContact CB-CZ 3.93Å; R41-F61 HydrophobicContact CG-CE2 3.91Å; R41-F61 HydrophobicContact CG-CZ 4.47Å
42L97Very high94.5Very high3 Ų376 Ų762%0.01636%0.362CS..Hα-helixtrans-64.9-30.4175.8-70.9174.2000112.9L38 N39 N44 W45 W54 F57 F96 L103 Y105L38-L42 HydrophobicContact CD2-CD1 3.58Å; L38-L42 HydrophobicContact CD2-CG 4.25Å; L38-L42 WeakPolarHBondContact O-CG 3.34Å; L38-L42 PolarHBondContact O-N 2.53Å; N39-L42 PolarHBondContact O-N 2.72Å; L42-N44 PolarHBondContact O-N 3.36Å; L42-W45 WeakPolarHBondContact O-CB 3.29Å; L42-W45 PolarHBondContact O-N 2.87Å; L42-W45 VanDerWaalsContact O-N 3.1Å; L42-W54 HydrophobicContact CD2-CH2 4.24Å; L42-W54 HydrophobicContact CD2-CZ3 4.04Å; L42-F57 HydrophobicContact CD2-CD2 4.38Å; L42-F57 HydrophobicContact CD2-CE1 4.46Å; L42-F57 HydrophobicContact CD2-CE2 3.71Å; L42-F57 HydrophobicContact CD2-CZ 3.76Å; L42-F57 HydrophobicContact CG-CE2 3.86Å; L42-F57 HydrophobicContact CG-CZ 4.1Å; L42-F96 HydrophobicContact CD2-CE2 4.43Å; L42-L103 HydrophobicContact CD1-CB 4.31Å; L42-L103 HydrophobicContact CD1-CD2 3.89Å; L42-L103 HydrophobicContact CD1-CG 3.87Å; L42-Y105 HydrophobicContact CD1-CE2 4.46Å
43Q94.3Very high94.9Very high143 Ų14375.8 Ų75.867%0.66836%0.359SS*.Hα-helixtrans-65.5-22173.8-70.1172.1-1.500113.4N39 K40 R41 W45N39-Q43 WeakPolarHBondContact O-CG 3.35Å; N39-Q43 PolarHBondContact O-N 3.25Å; N39-Q43 VanDerWaalsContact O-N 3.12Å; K40-Q43 WeakPolarHBondContact O-CB 3.27Å; K40-Q43 PolarHBondContact O-N 2.96Å; R41-Q43 VanDerWaalsContact C-N 3.29Å; R41-Q43 PolarHBondContact O-N 3.29Å; Q43-W45 PolarHBondContact O-N 2.87Å
44N94.1Very high95.1Very high99 Ų9969.9 Ų69.953%0.52934%0.335SS..THydrogen-bonded Turntrans-821.1175.7-62.7-11.4000112.5R41 L42R41-N44 WeakPolarHBondContact O-CB 3.31Å; R41-N44 PolarHBondContact O-N 2.68Å; R41-N44 VanDerWaalsContact O-N 3.16Å; L42-N44 PolarHBondContact O-N 3.36Å
45W94.7Very high95.2Very high45 Ų4572.2 Ų72.217%0.1735%0.35CS..  trans-66141.7175.4176.382.6000110.8L42 Q43 E47 W53 W54 F96L42-W45 WeakPolarHBondContact O-CB 3.29Å; L42-W45 PolarHBondContact O-N 2.87Å; L42-W45 VanDerWaalsContact O-N 3.1Å; Q43-W45 PolarHBondContact O-N 2.87Å; W45-E47 HydrophobicContact CH2-CG 3.86Å; W45-E47 HydrophobicContact CZ2-CG 4.42Å; W45-W53 HydrophobicContact CB-CH2 3.91Å; W45-W53 HydrophobicContact CB-CZ2 4.27Å; W45-W54 AromaticContact CD1-CZ2 3.39Å; W45-W54 HydrophobicContact CG-CZ2 4.34Å; W45-W54 AromaticContact NE1-CZ2 3.61Å; W45-F96 HydrophobicContact CB-CE1 4.22Å; W45-F96 HydrophobicContact CB-CZ 4.37Å; W45-F96 AromaticContact CD2-CD1 3.35Å; W45-F96 HydrophobicContact CD2-CD1 3.35Å; W45-F96 AromaticContact CD2-CE1 3.51Å; W45-F96 HydrophobicContact CD2-CE1 3.51Å; W45-F96 HydrophobicContact CD2-CG 4.05Å; W45-F96 HydrophobicContact CD2-CZ 4.34Å; W45-F96 AromaticContact CE2-CD1 3.53Å; W45-F96 AromaticContact CE2-CG 3.83Å; W45-F96 AromaticContact CE3-CD1 3.4Å; W45-F96 HydrophobicContact CE3-CD1 3.4Å; W45-F96 AromaticContact CE3-CE1 3.48Å; W45-F96 HydrophobicContact CE3-CE1 3.48Å; W45-F96 VanDerWaalsContact CE3-CE1 3.48Å; W45-F96 HydrophobicContact CE3-CG 4.46Å; W45-F96 HydrophobicContact CG-CD1 4.02Å; W45-F96 AromaticContact CG-CE1 3.85Å; W45-F96 HydrophobicContact CG-CE1 3.85Å; W45-F96 HydrophobicContact CG-CZ 4.23Å; W45-F96 HydrophobicContact CH2-CB 4.27Å; W45-F96 AromaticContact CH2-CD1 3.78Å; W45-F96 HydrophobicContact CH2-CD1 3.78Å; W45-F96 HydrophobicContact CH2-CG 4.44Å; W45-F96 HydrophobicContact CZ2-CB 3.77Å; W45-F96 AromaticContact CZ2-CD1 3.75Å; W45-F96 HydrophobicContact CZ2-CD1 3.75Å; W45-F96 HydrophobicContact CZ2-CG 4.05Å; W45-F96 AromaticContact CZ3-CD1 3.62Å; W45-F96 HydrophobicContact CZ3-CD1 3.62Å; W45-F96 HydrophobicContact CZ3-CE1 4.09Å
46T92.1Very high95.2Very high70 Ų7074.3 Ų74.343%0.42937%0.368SS..  trans-138.1162.9171.963.90000109E48 C49T46-E48 PolarHBondContact O-N 2.84Å; T46-C49 PolarHBondContact N-SG 2.78Å; T46-C49 VanDerWaalsContact O-CB 3.25Å; T46-C49 WeakPolarHBondContact O-CB 3.05Å; T46-C49 PolarHBondContact O-N 2.96Å; T46-C49 PolarHBondContact O-SG 3.3Å; T46-C49 PolarHBondContact OG1-SG 2.84Å
47E89.4Confident95.3Very high174 Ų17468.8 Ų68.881%0.81334%0.344SS*.THydrogen-bonded Turntrans-59.8-18.8176.8-65.1179.9-171.900113.4W45 C49W45-E47 HydrophobicContact CH2-CG 3.86Å; W45-E47 HydrophobicContact CZ2-CG 4.42Å; E47-C49 VanDerWaalsContact C-N 3.35Å
48E90.6Very high95.4Very high181 Ų18166.1 Ų66.185%0.84633%0.331SS*.THydrogen-bonded Turntrans-83.4-8.6177.5-60.7-179.2176.200113.4T46 D50T46-E48 PolarHBondContact O-N 2.84Å; E48-D50 PolarHBondContact O-N 2.8Å
49C91.8Very high95.3Very high21 Ų2169.4 Ų69.414%0.14235%0.351CS..  trans-66.8115.6-178.9-72.10000111.2T46 E47 W53T46-C49 PolarHBondContact N-SG 2.78Å; T46-C49 VanDerWaalsContact O-CB 3.25Å; T46-C49 WeakPolarHBondContact O-CB 3.05Å; T46-C49 PolarHBondContact O-N 2.96Å; T46-C49 PolarHBondContact O-SG 3.3Å; T46-C49 PolarHBondContact OG1-SG 2.84Å; E47-C49 VanDerWaalsContact C-N 3.35Å; C49-W53 HydrophobicContact CB-CB 4.13Å; C49-W53 HydrophobicContact CB-CD2 3.98Å; C49-W53 HydrophobicContact CB-CE3 4.23Å; C49-W53 HydrophobicContact CB-CG 3.94Å
50D92.9Very high95.3Very high81 Ų8172.4 Ų72.443%0.43337%0.365SS..  trans-85.1-171.9-176.575-9000113.2E48 L52 W53 W54E48-D50 PolarHBondContact O-N 2.8Å; D50-L52 VanDerWaalsContact C-N 3.31Å; D50-L52 PolarHBondContact O-N 2.83Å; D50-L52 PolarHBondContact OD1-N 2.83Å; D50-L52 VanDerWaalsContact OD2-CD1 3.32Å; D50-L52 WeakPolarHBondContact OD2-CD1 3.48Å; D50-W53 PolarHBondContact O-N 2.93Å; D50-W53 PolarHBondContact OD1-N 2.84Å; D50-W54 VanDerWaalsContact O-CD1 3.27Å
51N93.1Very high95.3Very high80 Ų8066.7 Ų66.743%0.42834%0.34SS..Hα-helixtrans-64.7-34177.3-71.5-42.4000112.8W53 W54 D55 R93N51-W53 VanDerWaalsContact C-N 3.3Å; N51-W53 PolarHBondContact O-N 2.96Å; N51-W54 PolarHBondContact O-N 2.81Å; N51-D55 PolarHBondContact O-N 2.82Å; N51-R93 PolarHBondContact OD1-NH1 2.85Å
52L95.8Very high95.4Very high125 Ų12564 Ų6465%0.65433%0.329SS*.Hα-helixtrans-67.1-35.5-179.8-75.499000111.2D50 W54 D55 A56D50-L52 VanDerWaalsContact C-N 3.31Å; D50-L52 PolarHBondContact O-N 2.83Å; D50-L52 PolarHBondContact OD1-N 2.83Å; D50-L52 VanDerWaalsContact OD2-CD1 3.32Å; D50-L52 WeakPolarHBondContact OD2-CD1 3.48Å; L52-W54 VanDerWaalsContact C-N 3.34Å; L52-W54 PolarHBondContact O-N 3.33Å; L52-D55 PolarHBondContact O-N 2.92Å; L52-A56 WeakPolarHBondContact O-CB 3.44Å; L52-A56 PolarHBondContact O-N 2.83Å
53W97.4Very high95.4Very high36 Ų3665 Ų6514%0.13633%0.334CS..Hα-helixtrans-59.7-44.8174.2-172100.8000111.8W45 C49 D50 N51 A56 F57W45-W53 HydrophobicContact CB-CH2 3.91Å; W45-W53 HydrophobicContact CB-CZ2 4.27Å; C49-W53 HydrophobicContact CB-CB 4.13Å; C49-W53 HydrophobicContact CB-CD2 3.98Å; C49-W53 HydrophobicContact CB-CE3 4.23Å; C49-W53 HydrophobicContact CB-CG 3.94Å; D50-W53 PolarHBondContact O-N 2.93Å; D50-W53 PolarHBondContact OD1-N 2.84Å; N51-W53 VanDerWaalsContact C-N 3.3Å; N51-W53 PolarHBondContact O-N 2.96Å; W53-A56 PolarHBondContact O-N 2.92Å; W53-F57 HydrophobicContact CE3-CB 4.43Å; W53-F57 HydrophobicContact CZ3-CB 4.28Å; W53-F57 WeakPolarHBondContact O-CB 3.25Å; W53-F57 PolarHBondContact O-N 2.86Å
54W97.4Very high95.6Very high4 Ų463.5 Ų63.52%0.01533%0.331CS..Hα-helixtrans-67.5-36.5177.5-73.4109.3000112.8L42 W45 D50 N51 L52 F57 T58 P89 F92 R93 F96L42-W54 HydrophobicContact CD2-CH2 4.24Å; L42-W54 HydrophobicContact CD2-CZ3 4.04Å; W45-W54 AromaticContact CD1-CZ2 3.39Å; W45-W54 HydrophobicContact CG-CZ2 4.34Å; W45-W54 AromaticContact NE1-CZ2 3.61Å; D50-W54 VanDerWaalsContact O-CD1 3.27Å; N51-W54 PolarHBondContact O-N 2.81Å; L52-W54 VanDerWaalsContact C-N 3.34Å; L52-W54 PolarHBondContact O-N 3.33Å; W54-F57 HydrophobicContact CE3-CD1 4.11Å; W54-F57 HydrophobicContact CE3-CG 4.49Å; W54-F57 HydrophobicContact CZ3-CD1 4.28Å; W54-T58 WeakPolarHBondContact O-CB 3.24Å; W54-T58 PolarHBondContact O-N 3.09Å; W54-T58 PolarHBondContact O-OG1 3.44Å; W54-P89 HydrophobicContact CB-CB 3.9Å; W54-F92 HydrophobicContact CE3-CB 3.72Å; W54-F92 HydrophobicContact CH2-CB 4.07Å; W54-F92 HydrophobicContact CZ3-CB 3.36Å; W54-F92 HydrophobicContact CZ3-CG 4.33Å; W54-R93 HydrophobicContact CD2-CB 4.08Å; W54-R93 HydrophobicContact CG-CB 4.15Å; W54-R93 HydrophobicContact CZ2-CB 4.36Å; W54-F96 AromaticContact CH2-CD2 3.56Å; W54-F96 HydrophobicContact CH2-CD2 3.56Å; W54-F96 AromaticContact CH2-CE2 3.46Å; W54-F96 HydrophobicContact CH2-CE2 3.46Å; W54-F96 VanDerWaalsContact CH2-CE2 3.46Å; W54-F96 HydrophobicContact CH2-CZ 4.32Å; W54-F96 AromaticContact CZ2-CD2 3.72Å; W54-F96 HydrophobicContact CZ2-CD2 3.72Å; W54-F96 HydrophobicContact CZ2-CE2 4.06Å; W54-F96 HydrophobicContact CZ2-CG 4.34Å
55D96.9Very high95.7Very high78 Ų7863 Ų6342%0.41733%0.328SS..Hα-helixtrans-66-41.4174.1-73-27.2000111.3N51 L52 T58 T59 P89N51-D55 PolarHBondContact O-N 2.82Å; L52-D55 PolarHBondContact O-N 2.92Å; D55-T58 PolarHBondContact O-N 3.09Å; D55-T59 WeakPolarHBondContact O-CB 3.41Å; D55-T59 PolarHBondContact O-N 3.41Å; D55-T59 PolarHBondContact O-OG1 2.86Å; D55-P89 VanDerWaalsContact OD1-CG 3.24Å; D55-P89 WeakPolarHBondContact OD1-CG 3.41Å
56A97.6Very high95.8Very high48 Ų4860.9 Ų60.940%0.39732%0.32SS..Hα-helixtrans-64.1-48174.900000111.6L52 W53 T58 T59 E60L52-A56 WeakPolarHBondContact O-CB 3.44Å; L52-A56 PolarHBondContact O-N 2.83Å; W53-A56 PolarHBondContact O-N 2.92Å; A56-T58 VanDerWaalsContact C-N 3.3Å; A56-T58 PolarHBondContact O-N 3.22Å; A56-T59 PolarHBondContact O-N 2.86Å; A56-E60 WeakPolarHBondContact O-CB 3.48Å; A56-E60 PolarHBondContact O-N 3.2Å
57F98.1Very high96.1Very high0 Ų061.3 Ų61.30%032%0.318CS..Hα-helixtrans-52.7-49.1172.6167.5-94.2000111.1L38 R41 L42 W53 W54 T59 E60 F61 F62 F92L38-F57 HydrophobicContact CD1-CZ 4.4Å; L38-F57 HydrophobicContact CD2-CZ 4.23Å; L38-F57 HydrophobicContact CG-CE2 4.14Å; L38-F57 HydrophobicContact CG-CZ 3.95Å; R41-F57 HydrophobicContact CB-CD2 4.2Å; R41-F57 HydrophobicContact CB-CE2 4.3Å; R41-F57 HydrophobicContact CG-CD2 3.74Å; R41-F57 HydrophobicContact CG-CE2 4.33Å; L42-F57 HydrophobicContact CD2-CD2 4.38Å; L42-F57 HydrophobicContact CD2-CE1 4.46Å; L42-F57 HydrophobicContact CD2-CE2 3.71Å; L42-F57 HydrophobicContact CD2-CZ 3.76Å; L42-F57 HydrophobicContact CG-CE2 3.86Å; L42-F57 HydrophobicContact CG-CZ 4.1Å; W53-F57 HydrophobicContact CE3-CB 4.43Å; W53-F57 HydrophobicContact CZ3-CB 4.28Å; W53-F57 WeakPolarHBondContact O-CB 3.25Å; W53-F57 PolarHBondContact O-N 2.86Å; W54-F57 HydrophobicContact CE3-CD1 4.11Å; W54-F57 HydrophobicContact CE3-CG 4.49Å; W54-F57 HydrophobicContact CZ3-CD1 4.28Å; F57-T59 VanDerWaalsContact C-N 3.32Å; F57-T59 PolarHBondContact O-N 2.78Å; F57-E60 WeakPolarHBondContact O-CB 3.42Å; F57-E60 PolarHBondContact O-N 3.33Å; F57-F61 AromaticContact CD2-CD2 3.78Å; F57-F61 HydrophobicContact CD2-CD2 3.78Å; F57-F61 AromaticContact CD2-CE2 3.81Å; F57-F61 HydrophobicContact CD2-CE2 3.81Å; F57-F61 AromaticContact CE2-CD2 3.61Å; F57-F61 HydrophobicContact CE2-CD2 3.61Å; F57-F61 AromaticContact CE2-CE2 3.74Å; F57-F61 HydrophobicContact CE2-CE2 3.74Å; F57-F61 HydrophobicContact CG-CD2 4.39Å; F57-F61 HydrophobicContact CZ-CD2 4.1Å; F57-F61 VanDerWaalsContact O-CD2 3.26Å; F57-F61 WeakPolarHBondContact O-CD2 3.23Å; F57-F61 PolarHBondContact O-N 3.04Å; F57-F62 HydrophobicContact CE1-CE2 4.46Å; F57-F92 HydrophobicContact CD1-CD2 4.46Å; F57-F92 HydrophobicContact CE1-CD1 4.36Å; F57-F92 AromaticContact CE1-CD2 3.73Å; F57-F92 HydrophobicContact CE1-CD2 3.73Å; F57-F92 HydrophobicContact CE1-CE1 4.49Å; F57-F92 AromaticContact CE1-CE2 3.88Å; F57-F92 HydrophobicContact CE1-CE2 3.88Å; F57-F92 AromaticContact CE1-CG 3.99Å; F57-F92 HydrophobicContact CE1-CG 3.99Å; F57-F92 HydrophobicContact CE1-CZ 4.27Å
58T98.1Very high96.5Very high0 Ų053.1 Ų53.10%028%0.28CS..Hα-helixtrans-68.3-34.9-177.5-50.50000111.5W54 D55 A56 E60 F61 F62 R85 I88 P89W54-T58 WeakPolarHBondContact O-CB 3.24Å; W54-T58 PolarHBondContact O-N 3.09Å; W54-T58 PolarHBondContact O-OG1 3.44Å; D55-T58 PolarHBondContact O-N 3.09Å; A56-T58 VanDerWaalsContact C-N 3.3Å; A56-T58 PolarHBondContact O-N 3.22Å; T58-E60 VanDerWaalsContact C-N 3.31Å; T58-E60 PolarHBondContact O-N 3.35Å; T58-F61 PolarHBondContact O-N 3.37Å; T58-F62 HydrophobicContact CG2-CB 3.98Å; T58-F62 HydrophobicContact CG2-CD2 3.8Å; T58-F62 HydrophobicContact CG2-CG 4.09Å; T58-F62 WeakPolarHBondContact O-CA 3.43Å; T58-F62 VanDerWaalsContact O-CB 3.31Å; T58-F62 WeakPolarHBondContact O-CB 3.3Å; T58-F62 PolarHBondContact O-N 3.14Å; T58-R85 VanDerWaalsContact CG2-CZ 3.44Å; T58-R85 VanDerWaalsContact CG2-NH1 3.29Å; T58-I88 HydrophobicContact CG2-CB 3.86Å; T58-I88 HydrophobicContact CG2-CG2 3.6Å; T58-P89 HydrophobicContact CG2-CG 4.15Å; T58-P89 WeakPolarHBondContact OG1-CA 3.43Å; T58-P89 WeakPolarHBondContact OG1-CG 3.42Å
59T97.6Very high96.8Very high69 Ų6945.3 Ų45.342%0.42325%0.245SC..Hα-helixtrans-66.9-33176.9-55.30000112.5D55 A56 F57 R85 R157D55-T59 WeakPolarHBondContact O-CB 3.41Å; D55-T59 PolarHBondContact O-N 3.41Å; D55-T59 PolarHBondContact O-OG1 2.86Å; A56-T59 PolarHBondContact O-N 2.86Å; F57-T59 VanDerWaalsContact C-N 3.32Å; F57-T59 PolarHBondContact O-N 2.78Å; T59-R85 VanDerWaalsContact CA-NH2 3.33Å; T59-R85 PolarHBondContact OG1-NH2 3.45Å; T59-R157 WeakPolarHBondContact O-CD 3.4Å; T59-R157 PolarHBondContact O-NH1 2.91Å
60E97.6Very high97.1Very high84 Ų8444.3 Ų44.339%0.39324%0.238SC..Hα-helixtrans-70.5-35.7178.1-173179.4170.100112.7R34 R41 A56 F57 T58R34-E60 PolarHBondContact NH2-O 2.9Å; R41-E60 IonicContact NE-OE2 2.92Å; R41-E60 PolarHBondContact NE-OE2 3.24Å; A56-E60 WeakPolarHBondContact O-CB 3.48Å; A56-E60 PolarHBondContact O-N 3.2Å; F57-E60 WeakPolarHBondContact O-CB 3.42Å; F57-E60 PolarHBondContact O-N 3.33Å; T58-E60 VanDerWaalsContact C-N 3.31Å; T58-E60 PolarHBondContact O-N 3.35Å
61F98.1Very high97.3Very high2 Ų242 Ų421%0.00923%0.227CC..Hα-helixtrans-110.9-18.9-173.2-64.3-70.1000115.5E37 L38 R41 F57 T58 I158E37-F61 HydrophobicContact CB-CE1 3.97Å; E37-F61 HydrophobicContact CB-CZ 4.31Å; L38-F61 HydrophobicContact CB-CD1 3.94Å; L38-F61 HydrophobicContact CB-CE1 3.87Å; L38-F61 HydrophobicContact CB-CG 4.3Å; L38-F61 HydrophobicContact CB-CZ 4.19Å; L38-F61 HydrophobicContact CD1-CB 4.23Å; L38-F61 HydrophobicContact CD1-CD1 4.36Å; L38-F61 HydrophobicContact CD1-CG 4.14Å; L38-F61 HydrophobicContact CG-CD1 4.38Å; L38-F61 HydrophobicContact CG-CD2 4.35Å; L38-F61 HydrophobicContact CG-CG 4.25Å; R41-F61 HydrophobicContact CB-CE2 3.72Å; R41-F61 HydrophobicContact CB-CZ 3.93Å; R41-F61 HydrophobicContact CG-CE2 3.91Å; R41-F61 HydrophobicContact CG-CZ 4.47Å; F57-F61 AromaticContact CD2-CD2 3.78Å; F57-F61 HydrophobicContact CD2-CD2 3.78Å; F57-F61 AromaticContact CD2-CE2 3.81Å; F57-F61 HydrophobicContact CD2-CE2 3.81Å; F57-F61 AromaticContact CE2-CD2 3.61Å; F57-F61 HydrophobicContact CE2-CD2 3.61Å; F57-F61 AromaticContact CE2-CE2 3.74Å; F57-F61 HydrophobicContact CE2-CE2 3.74Å; F57-F61 HydrophobicContact CG-CD2 4.39Å; F57-F61 HydrophobicContact CZ-CD2 4.1Å; F57-F61 VanDerWaalsContact O-CD2 3.26Å; F57-F61 WeakPolarHBondContact O-CD2 3.23Å; F57-F61 PolarHBondContact O-N 3.04Å; T58-F61 PolarHBondContact O-N 3.37Å; F61-I158 WeakPolarHBondContact O-CB 3.34Å; F61-I158 WeakPolarHBondContact O-CG1 3.44Å; F61-I158 PolarHBondContact O-N 3.27Å
62F98.5Very high97.4Very high0 Ų038.3 Ų38.30%021%0.207CC..EExtended strand (participates in β ladder)trans-122143.7-175.4-65.1-97.3000112F57 T58 A66 I88 F92 I158 W161F57-F62 HydrophobicContact CE1-CE2 4.46Å; T58-F62 HydrophobicContact CG2-CB 3.98Å; T58-F62 HydrophobicContact CG2-CD2 3.8Å; T58-F62 HydrophobicContact CG2-CG 4.09Å; T58-F62 WeakPolarHBondContact O-CA 3.43Å; T58-F62 VanDerWaalsContact O-CB 3.31Å; T58-F62 WeakPolarHBondContact O-CB 3.3Å; T58-F62 PolarHBondContact O-N 3.14Å; F62-A66 HydrophobicContact CB-CB 3.91Å; F62-A66 HydrophobicContact CD1-CB 4.06Å; F62-A66 HydrophobicContact CG-CB 4.49Å; F62-I88 HydrophobicContact CD1-CD1 3.82Å; F62-I88 HydrophobicContact CD1-CG2 4.41Å; F62-I88 HydrophobicContact CD2-CG2 4.18Å; F62-I88 HydrophobicContact CE1-CD1 4.23Å; F62-I88 HydrophobicContact CE1-CG2 4.29Å; F62-I88 HydrophobicContact CE2-CG2 4.07Å; F62-I88 HydrophobicContact CG-CD1 4.26Å; F62-I88 HydrophobicContact CG-CG2 4.36Å; F62-I88 HydrophobicContact CZ-CG2 4.13Å; F62-F92 AromaticContact CE2-CE2 3.62Å; F62-F92 HydrophobicContact CE2-CE2 3.62Å; F62-F92 HydrophobicContact CE2-CZ 4.01Å; F62-F92 AromaticContact CZ-CE2 3.63Å; F62-F92 HydrophobicContact CZ-CE2 3.63Å; F62-F92 AromaticContact CZ-CZ 3.78Å; F62-F92 HydrophobicContact CZ-CZ 3.78Å; F62-I158 WeakPolarHBondContact CA-O 3.37Å; F62-I158 HydrophobicContact CD1-CB 3.9Å; F62-I158 HydrophobicContact CD1-CG2 4.01Å; F62-I158 HydrophobicContact CE1-CB 4.1Å; F62-I158 HydrophobicContact CE1-CD1 4.33Å; F62-I158 HydrophobicContact CE1-CG2 3.91Å; F62-I158 HydrophobicContact CG-CB 4.45Å; F62-I158 HydrophobicContact CZ-CD1 4.24Å; F62-W161 HydrophobicContact CE1-CB 4.15Å; F62-W161 HydrophobicContact CE1-CD2 4.49Å; F62-W161 AromaticContact CE1-CE3 3.96Å; F62-W161 HydrophobicContact CE1-CE3 3.96Å; F62-W161 HydrophobicContact CZ-CD2 4.45Å; F62-W161 AromaticContact CZ-CE3 3.74Å; F62-W161 HydrophobicContact CZ-CE3 3.74Å; F62-W161 HydrophobicContact CZ-CZ3 4.22Å
63E98.1Very high97.1Very high24 Ų2436.6 Ų36.611%0.11221%0.205CC..EExtended strand (participates in β ladder)trans-65.5161.8169.9-79.7-60.4126.900112.5D65 A66 R85 M151 R157 I158 K159E63-D65 VanDerWaalsContact C-N 3.27Å; E63-D65 PolarHBondContact O-N 2.71Å; E63-A66 HydrophobicContact CB-CB 4.24Å; E63-A66 WeakPolarHBondContact O-CB 3.33Å; E63-A66 PolarHBondContact O-N 2.87Å; E63-R85 WeakPolarHBondContact O-CD 3.37Å; E63-R85 PolarHBondContact O-NE 2.95Å; E63-M151 HydrophobicContact CG-CB 4.47Å; E63-M151 HydrophobicContact CG-CG 3.59Å; E63-R157 HydrophobicContact CG-CB 4.09Å; E63-R157 WeakPolarHBondContact OE1-CB 3.17Å; E63-R157 IonicContact OE1-CZ 3.22Å; E63-R157 IonicContact OE1-NE 2.84Å; E63-R157 PolarHBondContact OE1-NE 3.24Å; E63-R157 IonicContact OE1-NH2 3.96Å; E63-R157 PolarHBondContact OE1-NH2 3.45Å; E63-R157 IonicContact OE2-CZ 3.95Å; E63-R157 IonicContact OE2-NH2 3.9Å; E63-R157 PolarHBondContact OE2-NH2 3.26Å; E63-I158 PolarHBondContact N-O 2.65Å; E63-K159 HydrophobicContact CG-CB 4.45Å
64D96.8Very high96.5Very high113 Ų11336.4 Ų36.460%0.60421%0.206SC*.EExtended strand (participates in β ladder)trans-71.2-24.1-179.7-65.3-33.3000112.8R85D64-R85 VanDerWaalsContact O-CB 3.26Å; D64-R85 WeakPolarHBondContact O-CB 3.46Å; D64-R85 WeakPolarHBondContact O-CG 3.05Å
65D96.1Very high95.9Very high89 Ų8946 Ų4648%0.47625%0.251SS..EExtended strand (participates in β ladder)trans-99.715.5173.372.6-22.3000113E63 K159E63-D65 VanDerWaalsContact C-N 3.27Å; E63-D65 PolarHBondContact O-N 2.71Å; D65-K159 IonicContact OD1-NZ 2.86Å; D65-K159 WeakPolarHBondContact OD2-CE 3.42Å; D65-K159 IonicContact OD2-NZ 2.71Å; D65-K159 PolarHBondContact OD2-NZ 2.96Å
66A97.9Very high95.3Very high0 Ų047.5 Ų47.50%026%0.259CS..EExtended strand (participates in β ladder)trans-65.5146.2-173.400000113.9F62 E63 G84 R85 I88 I158 K159F62-A66 HydrophobicContact CB-CB 3.91Å; F62-A66 HydrophobicContact CD1-CB 4.06Å; F62-A66 HydrophobicContact CG-CB 4.49Å; E63-A66 HydrophobicContact CB-CB 4.24Å; E63-A66 WeakPolarHBondContact O-CB 3.33Å; E63-A66 PolarHBondContact O-N 2.87Å; A66-G84 CarbonylContact O-C 3.51Å; A66-R85 PolarHBondContact O-N 3.22Å; A66-I88 HydrophobicContact CB-CD1 4.08Å; A66-I158 WeakPolarHBondContact CB-O 3.35Å; A66-K159 CarbonylContact C-O 3.59Å; A66-K159 WeakPolarHBondContact CA-O 3.43Å
67M97.6Very high95Very high79 Ų7946.2 Ų46.239%0.38925%0.251SS..EExtended strand (participates in β ladder)trans-123.4133.6178.5-62-61-61.700110.8T82 K159 W161M67-T82 HydrophobicContact CE-CG2 3.38Å; M67-K159 PolarHBondContact N-O 2.93Å; M67-W161 PolarHBondContact O-N 2.83Å
68L98.3Very high94.7Very high1 Ų151.3 Ų51.31%0.00528%0.284CS..EExtended strand (participates in β ladder)trans-117.6124.3177-174.4154.4000110I70 T82 I83 I88 Y91 F92 W161L68-I70 HydrophobicContact CD2-CD1 3.77Å; L68-I70 HydrophobicContact CD2-CG1 3.67Å; L68-T82 CarbonylContact O-C 3.58Å; L68-T82 WeakPolarHBondContact O-CA 3.45Å; L68-I83 HydrophobicContact CB-CD1 4.47Å; L68-I83 HydrophobicContact CB-CG1 3.91Å; L68-I83 HydrophobicContact CD2-CD1 4.07Å; L68-I83 HydrophobicContact CD2-CG1 4.07Å; L68-I83 PolarHBondContact N-O 3.36Å; L68-I83 PolarHBondContact O-N 3.44Å; L68-I88 HydrophobicContact CB-CD1 4.11Å; L68-I88 HydrophobicContact CB-CG1 4.03Å; L68-I88 HydrophobicContact CD1-CG2 4.24Å; L68-Y91 HydrophobicContact CD1-CD1 3.59Å; L68-Y91 HydrophobicContact CD1-CE1 3.75Å; L68-Y91 HydrophobicContact CD1-CG 4.39Å; L68-Y91 HydrophobicContact CD2-CD1 4.1Å; L68-Y91 HydrophobicContact CD2-CD2 4.43Å; L68-Y91 HydrophobicContact CD2-CE1 4.08Å; L68-Y91 HydrophobicContact CD2-CE2 4.42Å; L68-Y91 HydrophobicContact CD2-CG 4.28Å; L68-F92 HydrophobicContact CD1-CE2 4.25Å; L68-F92 HydrophobicContact CD1-CZ 4.39Å; L68-W161 CarbonylContact C-O 3.46Å; L68-W161 WeakPolarHBondContact CA-O 3.44Å; L68-W161 HydrophobicContact CB-CB 4.31Å; L68-W161 HydrophobicContact CD1-CB 4.44Å; L68-W161 HydrophobicContact CD1-CG 4.11Å; L68-W161 HydrophobicContact CG-CB 4.11Å; L68-W161 HydrophobicContact CG-CG 3.99Å
69T98.1Very high94.5Very high17 Ų1754 Ų5410%0.10430%0.295CS..EExtended strand (participates in β ladder)trans-122.5126.1-178.5-61.30000110.9R80 Y81 T82 W161 H162 F163T69-R80 HydrophobicContact CG2-CG 3.89Å; T69-Y81 CarbonylContact C-O 3.52Å; T69-Y81 VanDerWaalsContact CA-O 3.24Å; T69-Y81 WeakPolarHBondContact CA-O 3.12Å; T69-T82 WeakPolarHBondContact CG2-OG1 3.5Å; T69-T82 WeakPolarHBondContact OG1-CG2 3.26Å; T69-T82 PolarHBondContact OG1-OG1 3.29Å; T69-W161 PolarHBondContact N-O 3.41Å; T69-H162 WeakPolarHBondContact O-CA 3.47Å; T69-F163 PolarHBondContact O-N 2.88Å
70I97.7Very high94.4Very high0 Ų059.6 Ų59.60%031%0.309CS..EExtended strand (participates in β ladder)trans-115.2126.4172.9-51.9-61.1000108.5L68 F72 Y81 Y91 F163 I165 L199L68-I70 HydrophobicContact CD2-CD1 3.77Å; L68-I70 HydrophobicContact CD2-CG1 3.67Å; I70-F72 HydrophobicContact CG2-CD1 3.87Å; I70-F72 HydrophobicContact CG2-CE1 4.07Å; I70-Y81 PolarHBondContact N-O 3.41Å; I70-Y81 PolarHBondContact O-N 3.08Å; I70-Y91 HydrophobicContact CD1-CE2 4.37Å; I70-Y91 WeakPolarHBondContact CD1-OH 3.49Å; I70-Y91 HydrophobicContact CG1-CE2 4Å; I70-F163 WeakPolarHBondContact CA-O 3.47Å; I70-F163 HydrophobicContact CD1-CB 3.84Å; I70-I165 HydrophobicContact CG2-CD1 3.98Å; I70-L199 HydrophobicContact CG2-CD1 4.14Å
71T96.9Very high94.3Very high34 Ų3456.8 Ų56.821%0.20930%0.295CS..EExtended strand (participates in β ladder)trans-121.7132.3178.3-53.10000109.7K79 H162 F163 S164 I165T71-K79 WeakPolarHBondContact CA-O 3.36Å; T71-H162 PolarHBondContact OG1-NE2 3.32Å; T71-H162 VanDerWaalsContact OG1-NE2 3.1Å; T71-F163 PolarHBondContact N-O 2.88Å; T71-S164 CarbonylContact O-C 3.56Å; T71-I165 PolarHBondContact O-N 3.05Å
72F94.8Very high94.1Very high2 Ų259.5 Ų59.51%0.00931%0.312CS..EExtended strand (participates in β ladder)trans-156161.9177.751.8-85.3000110.5I70 L74 K79 Y81 I165 C197 L199 L204 L207I70-F72 HydrophobicContact CG2-CD1 3.87Å; I70-F72 HydrophobicContact CG2-CE1 4.07Å; F72-L74 HydrophobicContact CD2-CD2 4.26Å; F72-L74 HydrophobicContact CD2-CG 3.86Å; F72-L74 HydrophobicContact CE2-CD1 3.85Å; F72-L74 HydrophobicContact CE2-CD2 4.15Å; F72-L74 HydrophobicContact CE2-CG 3.7Å; F72-K79 HydrophobicContact CD2-CB 4.34Å; F72-K79 HydrophobicContact CE2-CB 4.07Å; F72-K79 HydrophobicContact CE2-CG 4.33Å; F72-K79 HydrophobicContact CZ-CB 4.26Å; F72-K79 PolarHBondContact N-O 2.88Å; F72-K79 PolarHBondContact O-N 3.39Å; F72-Y81 AromaticContact CE1-CD2 3.64Å; F72-Y81 HydrophobicContact CE1-CD2 3.64Å; F72-Y81 AromaticContact CE1-CE2 3.84Å; F72-Y81 HydrophobicContact CE1-CE2 3.84Å; F72-Y81 HydrophobicContact CE2-CE2 4.34Å; F72-Y81 AromaticContact CZ-CD2 3.75Å; F72-Y81 HydrophobicContact CZ-CD2 3.75Å; F72-Y81 AromaticContact CZ-CE2 3.43Å; F72-Y81 HydrophobicContact CZ-CE2 3.43Å; F72-Y81 VanDerWaalsContact CZ-CE2 3.43Å; F72-I165 HydrophobicContact CB-CB 3.99Å; F72-I165 HydrophobicContact CB-CD1 4.2Å; F72-I165 HydrophobicContact CD1-CD1 4.37Å; F72-C197 HydrophobicContact CB-CB 4.12Å; F72-C197 HydrophobicContact CD2-CB 4.11Å; F72-C197 HydrophobicContact CG-CB 4.34Å; F72-L199 HydrophobicContact CD1-CD1 4.06Å; F72-L199 HydrophobicContact CE1-CD1 3.73Å; F72-L199 HydrophobicContact CZ-CD1 4.18Å; F72-L204 HydrophobicContact CE1-CD2 4.23Å; F72-L204 HydrophobicContact CE2-CD2 3.71Å; F72-L204 HydrophobicContact CZ-CD2 3.33Å; F72-L207 HydrophobicContact CE1-CD1 4.46Å
73C88.8Confident94Very high89 Ų8959.7 Ų59.760%0.60131%0.313SS*.EExtended strand (participates in β ladder)trans-105.8118.4176.4-64.70000110.1C197C73-C197 PolarHBondContact O-SG 3.3Å
74L86.3Confident93.8Very high32 Ų3259.5 Ų59.517%0.16832%0.317CS..EExtended strand (participates in β ladder)trans-94.2174.8167.1-73.7177.1000109.9F72 D76 G77 K79 R196F72-L74 HydrophobicContact CD2-CD2 4.26Å; F72-L74 HydrophobicContact CD2-CG 3.86Å; F72-L74 HydrophobicContact CE2-CD1 3.85Å; F72-L74 HydrophobicContact CE2-CD2 4.15Å; F72-L74 HydrophobicContact CE2-CG 3.7Å; L74-D76 WeakPolarHBondContact CB-OD1 3.49Å; L74-D76 PolarHBondContact O-N 3.13Å; L74-G77 PolarHBondContact N-O 2.89Å; L74-G77 PolarHBondContact O-N 3.36Å; L74-K79 HydrophobicContact CD1-CG 4.02Å; L74-K79 HydrophobicContact CG-CG 4.35Å; L74-R196 HydrophobicContact CD2-CB 4.33Å
75E83.8Confident93.8Very high205 Ų20555.8 Ų55.896%0.95830%0.295SS*.THydrogen-bonded Turntrans-56.7-29.5175.1-64.2173.1-17500112.9G77E75-G77 VanDerWaalsContact C-N 3.31Å
76D85.6Confident93.7Very high109 Ų10956.8 Ų56.858%0.58330%0.304SS*.THydrogen-bonded Turntrans-88.96.1177.970.1-25.9000113.7L74 K79L74-D76 WeakPolarHBondContact CB-OD1 3.49Å; L74-D76 PolarHBondContact O-N 3.13Å; D76-K79 VanDerWaalsContact CG-NZ 3.34Å; D76-K79 WeakPolarHBondContact OD1-CE 3.42Å; D76-K79 IonicContact OD1-NZ 2.68Å; D76-K79 WeakPolarHBondContact OD2-CE 3.27Å; D76-K79 IonicContact OD2-NZ 3.1Å; D76-K79 PolarHBondContact OD2-NZ 3.4Å
77G89.4Confident93.5Very high22 Ų2257.8 Ų57.823%0.22731%0.309CS..EExtended strand (participates in β ladder)trans114.8-172.6173.800000115L74 E75 K79L74-G77 PolarHBondContact N-O 2.89Å; L74-G77 PolarHBondContact O-N 3.36Å; E75-G77 VanDerWaalsContact C-N 3.31Å; G77-K79 PolarHBondContact O-N 3.25Å
78P92.3Very high93.5Very high106 Ų10654 Ų5469%0.68829%0.291SS*.EExtended strand (participates in β ladder)trans-68.1128.6-179.427.6-33.5000111.2
79K94.5Very high93.5Very high56 Ų5654.2 Ų54.224%0.24329%0.292CS..EExtended strand (participates in β ladder)trans-111.9140173.9-59.4-58.1-177.3-171.60110.3T71 F72 L74 D76 G77 Y81T71-K79 WeakPolarHBondContact CA-O 3.36Å; F72-K79 HydrophobicContact CD2-CB 4.34Å; F72-K79 HydrophobicContact CE2-CB 4.07Å; F72-K79 HydrophobicContact CE2-CG 4.33Å; F72-K79 HydrophobicContact CZ-CB 4.26Å; F72-K79 PolarHBondContact N-O 2.88Å; F72-K79 PolarHBondContact O-N 3.39Å; L74-K79 HydrophobicContact CD1-CG 4.02Å; L74-K79 HydrophobicContact CG-CG 4.35Å; D76-K79 VanDerWaalsContact CG-NZ 3.34Å; D76-K79 WeakPolarHBondContact OD1-CE 3.42Å; D76-K79 IonicContact OD1-NZ 2.68Å; D76-K79 WeakPolarHBondContact OD2-CE 3.27Å; D76-K79 IonicContact OD2-NZ 3.1Å; D76-K79 PolarHBondContact OD2-NZ 3.4Å; G77-K79 PolarHBondContact O-N 3.25Å; K79-Y81 HydrophobicContact CB-CD2 4.36Å; K79-Y81 HydrophobicContact CB-CE2 3.73Å; K79-Y81 HydrophobicContact CG-CE2 4.4Å
80R94.9Very high93.3Very high188 Ų18860.2 Ų60.271%0.70931%0.313SS*.EExtended strand (participates in β ladder)trans-134.4120.1175-177.7172.965.2-165.20.6109T69T69-R80 HydrophobicContact CG2-CG 3.89Å
81Y95.5Very high93.3Very high24 Ų2460.2 Ų60.29%0.09431%0.313CS..EExtended strand (participates in β ladder)trans-115.6124.6177.6-65.4-80.8000108.6T69 I70 F72 K79 L207 R208 V211T69-Y81 CarbonylContact C-O 3.52Å; T69-Y81 VanDerWaalsContact CA-O 3.24Å; T69-Y81 WeakPolarHBondContact CA-O 3.12Å; I70-Y81 PolarHBondContact N-O 3.41Å; I70-Y81 PolarHBondContact O-N 3.08Å; F72-Y81 AromaticContact CE1-CD2 3.64Å; F72-Y81 HydrophobicContact CE1-CD2 3.64Å; F72-Y81 AromaticContact CE1-CE2 3.84Å; F72-Y81 HydrophobicContact CE1-CE2 3.84Å; F72-Y81 HydrophobicContact CE2-CE2 4.34Å; F72-Y81 AromaticContact CZ-CD2 3.75Å; F72-Y81 HydrophobicContact CZ-CD2 3.75Å; F72-Y81 AromaticContact CZ-CE2 3.43Å; F72-Y81 HydrophobicContact CZ-CE2 3.43Å; F72-Y81 VanDerWaalsContact CZ-CE2 3.43Å; K79-Y81 HydrophobicContact CB-CD2 4.36Å; K79-Y81 HydrophobicContact CB-CE2 3.73Å; K79-Y81 HydrophobicContact CG-CE2 4.4Å; Y81-L207 HydrophobicContact CD1-CB 3.92Å; Y81-L207 WeakPolarHBondContact CD1-O 3.41Å; Y81-L207 HydrophobicContact CD2-CB 4.23Å; Y81-L207 HydrophobicContact CD2-CD1 4.34Å; Y81-L207 HydrophobicContact CE1-CB 4.38Å; Y81-L207 HydrophobicContact CG-CB 3.85Å; Y81-L207 HydrophobicContact CG-CD1 4.47Å; Y81-R208 HydrophobicContact CE1-CG 4.3Å; Y81-V211 HydrophobicContact CD1-CG2 3.41Å; Y81-V211 VanDerWaalsContact CD1-CG2 3.41Å; Y81-V211 HydrophobicContact CE1-CG2 3.67Å
82T95.3Very high93.4Very high59 Ų5958.6 Ų58.636%0.36230%0.303SS..EExtended strand (participates in β ladder)trans-121.3128.6176.5-63.20000108.3M67 L68 T69M67-T82 HydrophobicContact CE-CG2 3.38Å; L68-T82 CarbonylContact O-C 3.58Å; L68-T82 WeakPolarHBondContact O-CA 3.45Å; T69-T82 WeakPolarHBondContact CG2-OG1 3.5Å; T69-T82 WeakPolarHBondContact OG1-CG2 3.26Å; T69-T82 PolarHBondContact OG1-OG1 3.29Å
83I95.3Very high93.4Very high5 Ų562.1 Ų62.13%0.02632%0.316CS..EExtended strand (participates in β ladder)trans-127.7145.2179.665.5176.4000109.8L68 L87 Y91 Y206 L207 C210L68-I83 HydrophobicContact CB-CD1 4.47Å; L68-I83 HydrophobicContact CB-CG1 3.91Å; L68-I83 HydrophobicContact CD2-CD1 4.07Å; L68-I83 HydrophobicContact CD2-CG1 4.07Å; L68-I83 PolarHBondContact N-O 3.36Å; L68-I83 PolarHBondContact O-N 3.44Å; I83-L87 HydrophobicContact CB-CB 4.03Å; I83-L87 HydrophobicContact CB-CD1 4.34Å; I83-L87 HydrophobicContact CD1-CB 4.27Å; I83-L87 HydrophobicContact CG2-CD1 4.47Å; I83-Y91 HydrophobicContact CD1-CD2 4.49Å; I83-Y91 HydrophobicContact CD1-CG 4.11Å; I83-Y206 HydrophobicContact CD1-CE1 4.44Å; I83-L207 HydrophobicContact CG2-CD2 4.45Å; I83-C210 HydrophobicContact CG2-CB 3.55Å
84G94.9Very high93.8Very high20 Ų2058 Ų5821%0.20629%0.288CS..EExtended strand (participates in β ladder)trans-89.8173.217600000113.3A66 T86 L87 I88A66-G84 CarbonylContact O-C 3.51Å; G84-T86 VanDerWaalsContact C-N 3.27Å; G84-T86 PolarHBondContact O-N 3.45Å; G84-L87 PolarHBondContact O-N 2.95Å; G84-I88 PolarHBondContact O-N 2.89Å
85R95.3Very high94.3Very high35 Ų3556.8 Ų56.813%0.13228%0.282CS..THydrogen-bonded Turntrans-44.8-38.6-174.5178.956.6175.378.56.3116.9T58 T59 E63 D64 A66 L87 I88 P89T58-R85 VanDerWaalsContact CG2-CZ 3.44Å; T58-R85 VanDerWaalsContact CG2-NH1 3.29Å; T59-R85 VanDerWaalsContact CA-NH2 3.33Å; T59-R85 PolarHBondContact OG1-NH2 3.45Å; E63-R85 WeakPolarHBondContact O-CD 3.37Å; E63-R85 PolarHBondContact O-NE 2.95Å; D64-R85 VanDerWaalsContact O-CB 3.26Å; D64-R85 WeakPolarHBondContact O-CB 3.46Å; D64-R85 WeakPolarHBondContact O-CG 3.05Å; A66-R85 PolarHBondContact O-N 3.22Å; R85-L87 PolarHBondContact O-N 3.43Å; R85-I88 PolarHBondContact O-N 3.18Å; R85-P89 WeakPolarHBondContact O-CD 3.28Å
86T93.9Very high94.8Very high110 Ų11047.7 Ų47.768%0.67524%0.239SC*.THydrogen-bonded Turntrans-72-15.2-178.156.20000113.7G84G84-T86 VanDerWaalsContact C-N 3.27Å; G84-T86 PolarHBondContact O-N 3.45Å
87L95.1Very high95.1Very high21 Ų2147.6 Ų47.611%0.1124%0.235CC..THydrogen-bonded Turntrans-104.7-19-179.1-67.3177.1000112.2I83 G84 R85 P89 R90 Y91 Y206 C210I83-L87 HydrophobicContact CB-CB 4.03Å; I83-L87 HydrophobicContact CB-CD1 4.34Å; I83-L87 HydrophobicContact CD1-CB 4.27Å; I83-L87 HydrophobicContact CG2-CD1 4.47Å; G84-L87 PolarHBondContact O-N 2.95Å; R85-L87 PolarHBondContact O-N 3.43Å; L87-P89 VanDerWaalsContact C-CD 3.46Å; L87-R90 PolarHBondContact O-N 2.92Å; L87-Y91 PolarHBondContact O-N 3.44Å; L87-Y206 WeakPolarHBondContact CA-OH 3.26Å; L87-Y206 VanDerWaalsContact CB-OH 3.27Å; L87-Y206 WeakPolarHBondContact CB-OH 3.34Å; L87-Y206 PolarHBondContact O-OH 3.5Å; L87-C210 HydrophobicContact CD1-CB 4.04Å
88I97.2Very high95.2Very high0 Ų047.4 Ų47.40%023%0.234CC..Hα-helixtrans-53.9-44.7178.1-60.8180000113.5T58 F62 A66 L68 G84 R85 R90 Y91 F92T58-I88 HydrophobicContact CG2-CB 3.86Å; T58-I88 HydrophobicContact CG2-CG2 3.6Å; F62-I88 HydrophobicContact CD1-CD1 3.82Å; F62-I88 HydrophobicContact CD1-CG2 4.41Å; F62-I88 HydrophobicContact CD2-CG2 4.18Å; F62-I88 HydrophobicContact CE1-CD1 4.23Å; F62-I88 HydrophobicContact CE1-CG2 4.29Å; F62-I88 HydrophobicContact CE2-CG2 4.07Å; F62-I88 HydrophobicContact CG-CD1 4.26Å; F62-I88 HydrophobicContact CG-CG2 4.36Å; F62-I88 HydrophobicContact CZ-CG2 4.13Å; A66-I88 HydrophobicContact CB-CD1 4.08Å; L68-I88 HydrophobicContact CB-CD1 4.11Å; L68-I88 HydrophobicContact CB-CG1 4.03Å; L68-I88 HydrophobicContact CD1-CG2 4.24Å; G84-I88 PolarHBondContact O-N 2.89Å; R85-I88 PolarHBondContact O-N 3.18Å; I88-R90 VanDerWaalsContact C-N 3.29Å; I88-R90 PolarHBondContact O-N 3.22Å; I88-Y91 WeakPolarHBondContact O-CB 3.47Å; I88-Y91 PolarHBondContact O-N 3.4Å; I88-Y91 VanDerWaalsContact O-N 3.1Å; I88-F92 HydrophobicContact CG2-CD2 3.85Å; I88-F92 HydrophobicContact CG2-CE2 3.58Å; I88-F92 WeakPolarHBondContact O-CD2 3.37Å; I88-F92 PolarHBondContact O-N 3.37Å
89P97.2Very high95.1Very high5 Ų544.2 Ų44.23%0.03222%0.22CC..Hα-helixtrans-57.6-43.1179.3-21.829.8000112.3W54 D55 T58 R85 L87 F92 R93W54-P89 HydrophobicContact CB-CB 3.9Å; D55-P89 VanDerWaalsContact OD1-CG 3.24Å; D55-P89 WeakPolarHBondContact OD1-CG 3.41Å; T58-P89 HydrophobicContact CG2-CG 4.15Å; T58-P89 WeakPolarHBondContact OG1-CA 3.43Å; T58-P89 WeakPolarHBondContact OG1-CG 3.42Å; R85-P89 WeakPolarHBondContact O-CD 3.28Å; L87-P89 VanDerWaalsContact C-CD 3.46Å; P89-F92 PolarHBondContact O-N 2.95Å; P89-R93 WeakPolarHBondContact O-CB 3.44Å; P89-R93 PolarHBondContact O-N 3.36Å; P89-R93 VanDerWaalsContact O-N 3.08Å
90R95.7Very high95.1Very high142 Ų14241.6 Ų41.654%0.53621%0.209SC..Hα-helixtrans-71.4-30.1178.7-73.4-174.6-173.1158.13.2112.7L87 I88 S94 Y206L87-R90 PolarHBondContact O-N 2.92Å; I88-R90 VanDerWaalsContact C-N 3.29Å; I88-R90 PolarHBondContact O-N 3.22Å; R90-S94 WeakPolarHBondContact O-CB 3.29Å; R90-S94 PolarHBondContact O-N 2.82Å; R90-Y206 HydrophobicContact CB-CE1 4.35Å; R90-Y206 HydrophobicContact CB-CE2 3.64Å; R90-Y206 WeakPolarHBondContact CB-OH 3.34Å
91Y97.1Very high95.1Very high1 Ų135.3 Ų35.30%0.00419%0.191CC..Hα-helixtrans-58.6-53172.3166.3-102.6000111L68 I70 I83 L87 I88 R93 S94 I95 T203 Y206 L207L68-Y91 HydrophobicContact CD1-CD1 3.59Å; L68-Y91 HydrophobicContact CD1-CE1 3.75Å; L68-Y91 HydrophobicContact CD1-CG 4.39Å; L68-Y91 HydrophobicContact CD2-CD1 4.1Å; L68-Y91 HydrophobicContact CD2-CD2 4.43Å; L68-Y91 HydrophobicContact CD2-CE1 4.08Å; L68-Y91 HydrophobicContact CD2-CE2 4.42Å; L68-Y91 HydrophobicContact CD2-CG 4.28Å; I70-Y91 HydrophobicContact CD1-CE2 4.37Å; I70-Y91 WeakPolarHBondContact CD1-OH 3.49Å; I70-Y91 HydrophobicContact CG1-CE2 4Å; I83-Y91 HydrophobicContact CD1-CD2 4.49Å; I83-Y91 HydrophobicContact CD1-CG 4.11Å; L87-Y91 PolarHBondContact O-N 3.44Å; I88-Y91 WeakPolarHBondContact O-CB 3.47Å; I88-Y91 PolarHBondContact O-N 3.4Å; I88-Y91 VanDerWaalsContact O-N 3.1Å; Y91-R93 PolarHBondContact O-N 3.35Å; Y91-S94 WeakPolarHBondContact O-CB 3.31Å; Y91-S94 PolarHBondContact O-N 2.81Å; Y91-S94 PolarHBondContact O-OG 3.07Å; Y91-I95 HydrophobicContact CE1-CD1 4.13Å; Y91-T203 HydrophobicContact CD2-CG2 4.27Å; Y91-T203 HydrophobicContact CE2-CG2 3.94Å; Y91-Y206 VanDerWaalsContact CA-CE1 3.49Å; Y91-L207 HydrophobicContact CD2-CD2 4.07Å; Y91-L207 HydrophobicContact CE2-CD2 4.41Å
92F97.8Very high95.1Very high0 Ų038.9 Ų38.90%021%0.209CC..Hα-helixtrans-63.3-44.7179.3-73.8-76000111.8W54 F57 F62 L68 I88 P89 S94 I95 F96 L103 Y105W54-F92 HydrophobicContact CE3-CB 3.72Å; W54-F92 HydrophobicContact CH2-CB 4.07Å; W54-F92 HydrophobicContact CZ3-CB 3.36Å; W54-F92 HydrophobicContact CZ3-CG 4.33Å; F57-F92 HydrophobicContact CD1-CD2 4.46Å; F57-F92 HydrophobicContact CE1-CD1 4.36Å; F57-F92 AromaticContact CE1-CD2 3.73Å; F57-F92 HydrophobicContact CE1-CD2 3.73Å; F57-F92 HydrophobicContact CE1-CE1 4.49Å; F57-F92 AromaticContact CE1-CE2 3.88Å; F57-F92 HydrophobicContact CE1-CE2 3.88Å; F57-F92 AromaticContact CE1-CG 3.99Å; F57-F92 HydrophobicContact CE1-CG 3.99Å; F57-F92 HydrophobicContact CE1-CZ 4.27Å; F62-F92 AromaticContact CE2-CE2 3.62Å; F62-F92 HydrophobicContact CE2-CE2 3.62Å; F62-F92 HydrophobicContact CE2-CZ 4.01Å; F62-F92 AromaticContact CZ-CE2 3.63Å; F62-F92 HydrophobicContact CZ-CE2 3.63Å; F62-F92 AromaticContact CZ-CZ 3.78Å; F62-F92 HydrophobicContact CZ-CZ 3.78Å; L68-F92 HydrophobicContact CD1-CE2 4.25Å; L68-F92 HydrophobicContact CD1-CZ 4.39Å; I88-F92 HydrophobicContact CG2-CD2 3.85Å; I88-F92 HydrophobicContact CG2-CE2 3.58Å; I88-F92 WeakPolarHBondContact O-CD2 3.37Å; I88-F92 PolarHBondContact O-N 3.37Å; P89-F92 PolarHBondContact O-N 2.95Å; F92-S94 VanDerWaalsContact C-N 3.27Å; F92-S94 PolarHBondContact O-N 2.83Å; F92-I95 HydrophobicContact CD1-CD1 4.33Å; F92-I95 WeakPolarHBondContact O-CB 3.42Å; F92-I95 PolarHBondContact O-N 3.47Å; F92-I95 VanDerWaalsContact O-N 3.11Å; F92-F96 WeakPolarHBondContact O-CD2 3.47Å; F92-L103 HydrophobicContact CD1-CD2 4.07Å; F92-Y105 HydrophobicContact CE1-CE2 4.32Å
93R96.3Very high95.2Very high75 Ų7536.2 Ų36.228%0.28319%0.192SC..Hα-helixtrans-54.3-41.7174-178.6178.2159.3139.815.8112.8N51 W54 P89 Y91 I95 F96 E97N51-R93 PolarHBondContact OD1-NH1 2.85Å; W54-R93 HydrophobicContact CD2-CB 4.08Å; W54-R93 HydrophobicContact CG-CB 4.15Å; W54-R93 HydrophobicContact CZ2-CB 4.36Å; P89-R93 WeakPolarHBondContact O-CB 3.44Å; P89-R93 PolarHBondContact O-N 3.36Å; P89-R93 VanDerWaalsContact O-N 3.08Å; Y91-R93 PolarHBondContact O-N 3.35Å; R93-I95 PolarHBondContact O-N 3.1Å; R93-I95 VanDerWaalsContact O-N 3.15Å; R93-F96 PolarHBondContact O-N 3.16Å; R93-F96 VanDerWaalsContact O-N 3.12Å; R93-E97 HydrophobicContact CG-CG 4.23Å; R93-E97 IonicContact CZ-OE1 2.72Å; R93-E97 IonicContact NE-OE1 2.78Å; R93-E97 PolarHBondContact NE-OE1 2.76Å; R93-E97 IonicContact NH2-OE1 3.25Å; R93-E97 PolarHBondContact NH2-OE1 3.21Å; R93-E97 PolarHBondContact O-N 2.82Å
94S96Very high95.3Very high2 Ų239.2 Ų39.21%0.01420%0.204CC..Hα-helixtrans-61.3-24.5-178.778.90000113.8R90 Y91 F92 G98 T203R90-S94 WeakPolarHBondContact O-CB 3.29Å; R90-S94 PolarHBondContact O-N 2.82Å; Y91-S94 WeakPolarHBondContact O-CB 3.31Å; Y91-S94 PolarHBondContact O-N 2.81Å; Y91-S94 PolarHBondContact O-OG 3.07Å; F92-S94 VanDerWaalsContact C-N 3.27Å; F92-S94 PolarHBondContact O-N 2.83Å; S94-G98 PolarHBondContact O-N 2.85Å; S94-T203 PolarHBondContact O-OG1 2.84Å; S94-T203 WeakPolarHBondContact OG-CA 3.29Å; S94-T203 PolarHBondContact OG-OG1 2.89Å
95I96.5Very high95.5Very high8 Ų838.6 Ų38.64%0.04120%0.195CC..Hα-helixtrans-69.3-45.7177.5-60.3164.2000109.4Y91 F92 R93 G98 A100 L103 M128 T130 T203Y91-I95 HydrophobicContact CE1-CD1 4.13Å; F92-I95 HydrophobicContact CD1-CD1 4.33Å; F92-I95 WeakPolarHBondContact O-CB 3.42Å; F92-I95 PolarHBondContact O-N 3.47Å; F92-I95 VanDerWaalsContact O-N 3.11Å; R93-I95 PolarHBondContact O-N 3.1Å; R93-I95 VanDerWaalsContact O-N 3.15Å; I95-G98 WeakPolarHBondContact O-CA 3.39Å; I95-G98 PolarHBondContact O-N 3.17Å; I95-G98 VanDerWaalsContact O-N 3.1Å; I95-A100 HydrophobicContact CG2-CB 4.04Å; I95-A100 WeakPolarHBondContact O-CB 3.49Å; I95-L103 HydrophobicContact CD1-CD2 3.81Å; I95-L103 HydrophobicContact CG2-CD2 4.41Å; I95-M128 HydrophobicContact CD1-CE 3.6Å; I95-M128 HydrophobicContact CG1-CE 4.15Å; I95-M128 HydrophobicContact CG2-CE 4.04Å; I95-T130 HydrophobicContact CG2-CG2 3.69Å; I95-T203 HydrophobicContact CG1-CG2 4.48Å
96F95Very high95.6Very high13 Ų1339.5 Ų39.56%0.05720%0.204CC..Hα-helixtrans-70.2-39.2176.9-67.9-93.8000111.8L42 W45 W54 F92 R93 G98 G99 A100 L103L42-F96 HydrophobicContact CD2-CE2 4.43Å; W45-F96 HydrophobicContact CB-CE1 4.22Å; W45-F96 HydrophobicContact CB-CZ 4.37Å; W45-F96 AromaticContact CD2-CD1 3.35Å; W45-F96 HydrophobicContact CD2-CD1 3.35Å; W45-F96 AromaticContact CD2-CE1 3.51Å; W45-F96 HydrophobicContact CD2-CE1 3.51Å; W45-F96 HydrophobicContact CD2-CG 4.05Å; W45-F96 HydrophobicContact CD2-CZ 4.34Å; W45-F96 AromaticContact CE2-CD1 3.53Å; W45-F96 AromaticContact CE2-CG 3.83Å; W45-F96 AromaticContact CE3-CD1 3.4Å; W45-F96 HydrophobicContact CE3-CD1 3.4Å; W45-F96 AromaticContact CE3-CE1 3.48Å; W45-F96 HydrophobicContact CE3-CE1 3.48Å; W45-F96 VanDerWaalsContact CE3-CE1 3.48Å; W45-F96 HydrophobicContact CE3-CG 4.46Å; W45-F96 HydrophobicContact CG-CD1 4.02Å; W45-F96 AromaticContact CG-CE1 3.85Å; W45-F96 HydrophobicContact CG-CE1 3.85Å; W45-F96 HydrophobicContact CG-CZ 4.23Å; W45-F96 HydrophobicContact CH2-CB 4.27Å; W45-F96 AromaticContact CH2-CD1 3.78Å; W45-F96 HydrophobicContact CH2-CD1 3.78Å; W45-F96 HydrophobicContact CH2-CG 4.44Å; W45-F96 HydrophobicContact CZ2-CB 3.77Å; W45-F96 AromaticContact CZ2-CD1 3.75Å; W45-F96 HydrophobicContact CZ2-CD1 3.75Å; W45-F96 HydrophobicContact CZ2-CG 4.05Å; W45-F96 AromaticContact CZ3-CD1 3.62Å; W45-F96 HydrophobicContact CZ3-CD1 3.62Å; W45-F96 HydrophobicContact CZ3-CE1 4.09Å; W54-F96 AromaticContact CH2-CD2 3.56Å; W54-F96 HydrophobicContact CH2-CD2 3.56Å; W54-F96 AromaticContact CH2-CE2 3.46Å; W54-F96 HydrophobicContact CH2-CE2 3.46Å; W54-F96 VanDerWaalsContact CH2-CE2 3.46Å; W54-F96 HydrophobicContact CH2-CZ 4.32Å; W54-F96 AromaticContact CZ2-CD2 3.72Å; W54-F96 HydrophobicContact CZ2-CD2 3.72Å; W54-F96 HydrophobicContact CZ2-CE2 4.06Å; W54-F96 HydrophobicContact CZ2-CG 4.34Å; F92-F96 WeakPolarHBondContact O-CD2 3.47Å; R93-F96 PolarHBondContact O-N 3.16Å; R93-F96 VanDerWaalsContact O-N 3.12Å; F96-G98 PolarHBondContact O-N 2.84Å; F96-G98 VanDerWaalsContact O-N 3.14Å; F96-G99 PolarHBondContact O-N 3.45Å; F96-A100 WeakPolarHBondContact CA-O 3.33Å; F96-A100 VanDerWaalsContact CD1-O 3.22Å; F96-A100 WeakPolarHBondContact CD1-O 3.38Å; F96-L103 HydrophobicContact CE2-CB 3.97Å; F96-L103 HydrophobicContact CE2-CD2 4.02Å; F96-L103 HydrophobicContact CZ-CB 3.66Å
97E92.8Very high95.7Very high107 Ų10735.8 Ų35.850%0.518%0.181SC..THydrogen-bonded Turntrans-62.9-17.6169.7-67.5-178.9161.800112.9R93 G99 S202R93-E97 HydrophobicContact CG-CG 4.23Å; R93-E97 IonicContact CZ-OE1 2.72Å; R93-E97 IonicContact NE-OE1 2.78Å; R93-E97 PolarHBondContact NE-OE1 2.76Å; R93-E97 IonicContact NH2-OE1 3.25Å; R93-E97 PolarHBondContact NH2-OE1 3.21Å; R93-E97 PolarHBondContact O-N 2.82Å; E97-G99 PolarHBondContact O-N 2.8Å; E97-S202 PolarHBondContact O-OG 3.47Å
98G90.1Very high95.7Very high19 Ų1940.3 Ų40.320%0.19620%0.199CC..THydrogen-bonded Turntrans-78.32.7170.300000114.6S94 I95 F96S94-G98 PolarHBondContact O-N 2.85Å; I95-G98 WeakPolarHBondContact O-CA 3.39Å; I95-G98 PolarHBondContact O-N 3.17Å; I95-G98 VanDerWaalsContact O-N 3.1Å; F96-G98 PolarHBondContact O-N 2.84Å; F96-G98 VanDerWaalsContact O-N 3.14Å
99G91.3Very high95.5Very high38 Ų3848 Ų4839%0.39224%0.235SC..THydrogen-bonded Turntrans94.88.2179.900000114.8F96 E97 H132 G133F96-G99 PolarHBondContact O-N 3.45Å; E97-G99 PolarHBondContact O-N 2.8Å; G99-H132 VanDerWaalsContact O-CA 3.31Å; G99-H132 WeakPolarHBondContact O-CA 3.42Å; G99-G133 PolarHBondContact O-N 3.24Å
100A94.4Very high95.4Very high2 Ų249.1 Ų49.12%0.01724%0.242CC..EExtended strand (participates in β ladder)trans-75.4135.5171.900000110.4I95 F96 T130 Q131I95-A100 HydrophobicContact CG2-CB 4.04Å; I95-A100 WeakPolarHBondContact O-CB 3.49Å; F96-A100 WeakPolarHBondContact CA-O 3.33Å; F96-A100 VanDerWaalsContact CD1-O 3.22Å; F96-A100 WeakPolarHBondContact CD1-O 3.38Å; A100-T130 HydrophobicContact CB-CG2 4.21Å; A100-Q131 CarbonylContact C-O 3.5Å; A100-Q131 VanDerWaalsContact CA-O 3.29Å; A100-Q131 WeakPolarHBondContact CA-O 3.36Å
101T94.3Very high95.4Very high56 Ų5649.9 Ų49.934%0.34425%0.249SC..EExtended strand (participates in β ladder)trans-102.6-25.7173.855.20000111.9Q131T101-Q131 PolarHBondContact N-O 2.96Å; T101-Q131 PolarHBondContact OG1-O 3.29Å
102E95.3Very high95.3Very high98 Ų9852 Ų5246%0.45826%0.259SS..EExtended strand (participates in β ladder)trans-134.3147176.6-59.3-172.8175.300110.2T130 Q131E102-T130 VanDerWaalsContact O-CA 3.28Å; E102-T130 WeakPolarHBondContact O-CA 3.42Å; E102-Q131 HydrophobicContact CB-CB 4.1Å; E102-Q131 PolarHBondContact N-O 3.14Å; E102-Q131 PolarHBondContact O-N 3.31Å; E102-Q131 VanDerWaalsContact O-N 3.1Å; E102-Q131 PolarHBondContact OE2-OE1 3.48Å
103L97.6Very high95.1Very high3 Ų354.1 Ų54.12%0.01628%0.276CS..EExtended strand (participates in β ladder)trans-142.2130.4175171.663.8000109.5L42 F92 I95 F96 Y105 M128 V129 T130L42-L103 HydrophobicContact CD1-CB 4.31Å; L42-L103 HydrophobicContact CD1-CD2 3.89Å; L42-L103 HydrophobicContact CD1-CG 3.87Å; F92-L103 HydrophobicContact CD1-CD2 4.07Å; I95-L103 HydrophobicContact CD1-CD2 3.81Å; I95-L103 HydrophobicContact CG2-CD2 4.41Å; F96-L103 HydrophobicContact CE2-CB 3.97Å; F96-L103 HydrophobicContact CE2-CD2 4.02Å; F96-L103 HydrophobicContact CZ-CB 3.66Å; L103-Y105 HydrophobicContact CD1-CE2 4.28Å; L103-Y105 HydrophobicContact CD2-CE2 4.37Å; L103-Y105 HydrophobicContact CG-CE2 4.29Å; L103-M128 HydrophobicContact CD1-CE 3.64Å; L103-M128 HydrophobicContact CD1-CG 3.78Å; L103-V129 WeakPolarHBondContact CA-O 3.38Å; L103-T130 HydrophobicContact CB-CG2 4.43Å; L103-T130 HydrophobicContact CD1-CG2 3.58Å
104Y98.1Very high95Very high69 Ų6956.2 Ų56.227%0.27129%0.288SS..EExtended strand (participates in β ladder)trans-152159.3170.159.9-88.3000111.8N39 V106 V129N39-Y104 WeakPolarHBondContact OD1-CA 3.39Å; Y104-V106 HydrophobicContact CD2-CG2 3.72Å; Y104-V106 HydrophobicContact CE2-CG2 3.61Å; Y104-V129 HydrophobicContact CD1-CB 4.42Å; Y104-V129 HydrophobicContact CD2-CB 4.15Å; Y104-V129 HydrophobicContact CD2-CG2 4.43Å; Y104-V129 HydrophobicContact CE1-CB 3.95Å; Y104-V129 HydrophobicContact CE1-CG1 3.9Å; Y104-V129 HydrophobicContact CE2-CB 3.64Å; Y104-V129 HydrophobicContact CE2-CG1 4.15Å; Y104-V129 HydrophobicContact CE2-CG2 3.79Å; Y104-V129 PolarHBondContact N-O 3.31Å; Y104-V129 PolarHBondContact O-N 3.36Å; Y104-V129 WeakPolarHBondContact OH-CG1 3.22Å
105Y98.1Very high94.8Very high7 Ų760.2 Ų60.23%0.02731%0.306CS..EExtended strand (participates in β ladder)trans-112.4129.4178.5-63.2-88.4000110.7L38 N39 L42 F92 L103 S127 M128 W161L38-Y105 HydrophobicContact CD2-CD2 4.08Å; L38-Y105 HydrophobicContact CD2-CE2 4.26Å; N39-Y105 PolarHBondContact ND2-O 3.39Å; N39-Y105 PolarHBondContact OD1-N 3.04Å; L42-Y105 HydrophobicContact CD1-CE2 4.46Å; F92-Y105 HydrophobicContact CE1-CE2 4.32Å; L103-Y105 HydrophobicContact CD1-CE2 4.28Å; L103-Y105 HydrophobicContact CD2-CE2 4.37Å; L103-Y105 HydrophobicContact CG-CE2 4.29Å; Y105-S127 CarbonylContact C-O 3.48Å; Y105-S127 WeakPolarHBondContact CA-O 3.33Å; Y105-M128 HydrophobicContact CD1-CB 3.84Å; Y105-M128 HydrophobicContact CD1-CG 4.21Å; Y105-M128 HydrophobicContact CE1-CB 3.59Å; Y105-M128 HydrophobicContact CE1-CG 3.59Å; Y105-M128 HydrophobicContact CE1-SD 4.13Å; Y105-W161 HydrophobicContact CD1-CH2 4.29Å; Y105-W161 HydrophobicContact CD1-CZ2 4.07Å; Y105-W161 HydrophobicContact CD2-CH2 4.01Å; Y105-W161 HydrophobicContact CD2-CZ2 4.47Å; Y105-W161 HydrophobicContact CE1-CH2 4.05Å; Y105-W161 AromaticContact CE1-CZ2 3.55Å; Y105-W161 HydrophobicContact CE1-CZ2 3.55Å; Y105-W161 AromaticContact CE2-CH2 3.76Å; Y105-W161 HydrophobicContact CE2-CH2 3.76Å; Y105-W161 HydrophobicContact CE2-CZ2 4.01Å; Y105-W161 HydrophobicContact CG-CH2 4.26Å; Y105-W161 AromaticContact CZ-CH2 3.78Å; Y105-W161 AromaticContact CZ-CZ2 3.51Å
106V97.8Very high94.4Very high53 Ų5364.8 Ų64.832%0.32134%0.339SS..EExtended strand (participates in β ladder)trans-109.9122175.5-176.60000108.4Y104 K108 S127Y104-V106 HydrophobicContact CD2-CG2 3.72Å; Y104-V106 HydrophobicContact CE2-CG2 3.61Å; V106-K108 HydrophobicContact CG1-CG 4.48Å; V106-S127 PolarHBondContact N-O 3.45Å; V106-S127 PolarHBondContact O-N 3.3Å
107L96.3Very high94.3Very high33 Ų3369.4 Ų69.417%0.17336%0.364CS..EExtended strand (participates in β ladder)trans-110.1116.4179.4-54.3-178.7000109.1I35 P110 L121 C123 L146I35-L107 HydrophobicContact CB-CD1 4.14Å; I35-L107 HydrophobicContact CG1-CD1 3.86Å; I35-L107 HydrophobicContact CG2-CD1 3.89Å; I35-L107 HydrophobicContact CG2-CG 4.32Å; L107-P110 HydrophobicContact CB-CB 4.47Å; L107-P110 HydrophobicContact CB-CG 4.36Å; L107-L121 HydrophobicContact CD1-CD1 4.02Å; L107-L121 HydrophobicContact CD1-CD2 3.93Å; L107-C123 HydrophobicContact CB-CB 4.43Å; L107-C123 HydrophobicContact CD2-CB 4.08Å; L107-L146 HydrophobicContact CD2-CB 4.32Å; L107-L146 HydrophobicContact CD2-CD2 3.57Å
108K95.5Very high94.4Very high115 Ų11567 Ų6750%0.535%0.352SS..EExtended strand (participates in β ladder)trans-102124175.7-67-177.3180176.40109.8V106 C123 Q125V106-K108 HydrophobicContact CG1-CG 4.48Å; K108-C123 PolarHBondContact N-SG 3.42Å; K108-C123 PolarHBondContact O-SG 3.02Å; K108-C123 VanDerWaalsContact O-SG 3.33Å; K108-Q125 HydrophobicContact CB-CB 3.9Å; K108-Q125 PolarHBondContact N-O 3.1Å
109H93.3Very high94.7Very high162 Ų16266.1 Ų66.175%0.7534%0.343SS*.SBendtrans5052.7-179.7-51-62.3000113.6
110P94.8Very high94.9Very high29 Ų2964.8 Ų64.819%0.18833%0.327CS..PPolyproline II helixtrans-62.1141.1174.627.7-31.9000110.2D32 L107 L121 C123D32-P110 WeakPolarHBondContact OD1-CG 3.33Å; L107-P110 HydrophobicContact CB-CB 4.47Å; L107-P110 HydrophobicContact CB-CG 4.36Å; P110-L121 HydrophobicContact CB-CD1 4.07Å; P110-L121 HydrophobicContact CB-CD2 3.98Å; P110-L121 HydrophobicContact CB-CG 3.9Å; P110-C123 HydrophobicContact CB-CB 4.12Å
111K95.1Very high95Very high157 Ų15764.7 Ų64.768%0.68333%0.327SS*.EExtended strand (participates in β ladder)trans-103.1117.7175-63.3179.1-177.1176.30108.7D122K111-D122 PolarHBondContact N-O 2.91Å; K111-D122 PolarHBondContact O-N 2.6Å
112E94.2Very high95.2Very high47 Ų4763.9 Ų63.922%0.2232%0.32CS..EExtended strand (participates in β ladder)trans-91.6139173.7-61.9-173161.900110.3N29 T31 S120N29-E112 WeakPolarHBondContact CA-OE1 3.46Å; T31-E112 WeakPolarHBondContact CB-OE1 3.11Å; T31-E112 PolarHBondContact N-OE1 2.6Å; T31-E112 WeakPolarHBondContact OG1-CG 3.16Å; T31-E112 PolarHBondContact OG1-OE1 2.91Å; E112-S120 CarbonylContact C-O 3.58Å; E112-S120 WeakPolarHBondContact CA-O 3.25Å
113A93.7Very high95.3Very high43 Ų4359.2 Ų59.236%0.35530%0.298SS..EExtended strand (participates in β ladder)trans-136132.2168.900000110.6S120A113-S120 WeakPolarHBondContact CB-OG 3.38Å; A113-S120 PolarHBondContact N-O 3.28Å; A113-S120 PolarHBondContact O-N 2.91Å; A113-S120 PolarHBondContact O-OG 3.2Å
114F94Very high95.2Very high119 Ų11962.7 Ų62.752%0.52232%0.317SS..EExtended strand (participates in β ladder)trans-94.3124.5-178.1-65.6-92.1000109.8V119 F152F114-V119 HydrophobicContact CD1-CB 4.49Å; F114-V119 HydrophobicContact CD1-CG1 4.05Å; F114-V119 HydrophobicContact CD1-CG2 3.68Å; F114-V119 HydrophobicContact CE1-CG1 3.95Å; F114-V119 HydrophobicContact CE1-CG2 3.85Å; F114-V119 HydrophobicContact CZ-CG1 4.33Å; F114-F152 HydrophobicContact CD1-CE2 4.48Å
115H92.3Very high95.2Very high86 Ų8664.5 Ų64.540%0.39833%0.328SS..  trans-110.3175.2170.8-55.985.6000109.1N117 F118 S120H115-N117 VanDerWaalsContact C-N 3.28Å; H115-N117 PolarHBondContact O-N 2.97Å; H115-F118 WeakPolarHBondContact CA-O 3.4Å; H115-F118 HydrophobicContact CB-CD1 3.91Å; H115-F118 HydrophobicContact CB-CD2 4.37Å; H115-F118 HydrophobicContact CB-CE1 3.69Å; H115-F118 HydrophobicContact CB-CE2 4.19Å; H115-F118 HydrophobicContact CB-CG 4.24Å; H115-F118 HydrophobicContact CB-CZ 3.84Å; H115-F118 WeakPolarHBondContact CB-O 3.49Å; H115-F118 AromaticContact CD2-CZ 3.93Å; H115-F118 AromaticContact CE1-CE2 3.74Å; H115-F118 AromaticContact CE1-CZ 3.97Å; H115-F118 AromaticContact CG-CE1 3.89Å; H115-F118 AromaticContact CG-CE2 3.72Å; H115-F118 AromaticContact CG-CZ 3.49Å; H115-F118 VanDerWaalsContact CG-CZ 3.49Å; H115-F118 PolarHBondContact N-O 3.29Å; H115-F118 AromaticContact ND1-CD2 3.8Å; H115-F118 AromaticContact ND1-CE2 3.25Å; H115-F118 VanDerWaalsContact ND1-CE2 3.25Å; H115-F118 WeakPolarHBondContact ND1-CE2 3.32Å; H115-F118 AromaticContact ND1-CZ 3.53Å; H115-S120 PolarHBondContact CE1-OG 3.02Å
116S89.3Confident95.1Very high105 Ų10564.2 Ų64.273%0.73433%0.327SS*.SBendtrans-61.9-34.5-175.764.90000113.5
117N92.1Very high95.1Very high109 Ų10962.7 Ų62.758%0.58332%0.319SS*.SBendtrans-122.2-8.3-171-57.9-1.9000113.4H115 F152H115-N117 VanDerWaalsContact C-N 3.28Å; H115-N117 PolarHBondContact O-N 2.97Å; N117-F152 PolarHBondContact O-N 3.17Å; N117-F152 VanDerWaalsContact O-N 3.17Å
118F95Very high95.2Very high58 Ų5861.3 Ų61.325%0.25431%0.312SS..EExtended strand (participates in β ladder)trans-153.3158.7-174.770.7-88.3000111.1H115 E149 F150H115-F118 WeakPolarHBondContact CA-O 3.4Å; H115-F118 HydrophobicContact CB-CD1 3.91Å; H115-F118 HydrophobicContact CB-CD2 4.37Å; H115-F118 HydrophobicContact CB-CE1 3.69Å; H115-F118 HydrophobicContact CB-CE2 4.19Å; H115-F118 HydrophobicContact CB-CG 4.24Å; H115-F118 HydrophobicContact CB-CZ 3.84Å; H115-F118 WeakPolarHBondContact CB-O 3.49Å; H115-F118 AromaticContact CD2-CZ 3.93Å; H115-F118 AromaticContact CE1-CE2 3.74Å; H115-F118 AromaticContact CE1-CZ 3.97Å; H115-F118 AromaticContact CG-CE1 3.89Å; H115-F118 AromaticContact CG-CE2 3.72Å; H115-F118 AromaticContact CG-CZ 3.49Å; H115-F118 VanDerWaalsContact CG-CZ 3.49Å; H115-F118 PolarHBondContact N-O 3.29Å; H115-F118 AromaticContact ND1-CD2 3.8Å; H115-F118 AromaticContact ND1-CE2 3.25Å; H115-F118 VanDerWaalsContact ND1-CE2 3.25Å; H115-F118 WeakPolarHBondContact ND1-CE2 3.32Å; H115-F118 AromaticContact ND1-CZ 3.53Å; F118-E149 HydrophobicContact CD2-CB 4.13Å; F118-E149 HydrophobicContact CD2-CG 4.08Å; F118-E149 HydrophobicContact CE2-CG 4.1Å; F118-F150 CarbonylContact C-O 3.53Å; F118-F150 WeakPolarHBondContact CA-O 3.26Å; F118-F150 WeakPolarHBondContact CB-O 3.49Å
119V95.9Very high95.3Very high0 Ų056.2 Ų56.20%029%0.29CS..EExtended strand (participates in β ladder)trans-112.4124.9172.6-171.60000107.8T31 F114 F150 F152 M156T31-V119 HydrophobicContact CG2-CB 4.03Å; T31-V119 HydrophobicContact CG2-CG1 3.61Å; F114-V119 HydrophobicContact CD1-CB 4.49Å; F114-V119 HydrophobicContact CD1-CG1 4.05Å; F114-V119 HydrophobicContact CD1-CG2 3.68Å; F114-V119 HydrophobicContact CE1-CG1 3.95Å; F114-V119 HydrophobicContact CE1-CG2 3.85Å; F114-V119 HydrophobicContact CZ-CG1 4.33Å; V119-F150 PolarHBondContact N-O 3.05Å; V119-F150 PolarHBondContact O-N 2.86Å; V119-F152 HydrophobicContact CG2-CB 4.33Å; V119-F152 HydrophobicContact CG2-CD2 3.53Å; V119-F152 HydrophobicContact CG2-CE2 4.24Å; V119-F152 HydrophobicContact CG2-CG 4.27Å; V119-M156 HydrophobicContact CB-CE 4.46Å; V119-M156 HydrophobicContact CG2-CE 4.24Å
120S96.2Very high95.5Very high9 Ų948.7 Ų48.76%0.06326%0.256CS..EExtended strand (participates in β ladder)trans-95.9133.417562.30000110.4E112 A113 H115 L148E112-S120 CarbonylContact C-O 3.58Å; E112-S120 WeakPolarHBondContact CA-O 3.25Å; A113-S120 WeakPolarHBondContact CB-OG 3.38Å; A113-S120 PolarHBondContact N-O 3.28Å; A113-S120 PolarHBondContact O-N 2.91Å; A113-S120 PolarHBondContact O-OG 3.2Å; H115-S120 PolarHBondContact CE1-OG 3.02Å; S120-L148 CarbonylContact C-O 3.55Å; S120-L148 VanDerWaalsContact CA-O 3.27Å; S120-L148 WeakPolarHBondContact CA-O 3.5Å
121L97Very high95.5Very high0 Ų050.4 Ų50.40%026%0.261CS..EExtended strand (participates in β ladder)trans-109.9119.5167.5-180159000108T31 D32 L107 P110 C123 Y147 L148 F150T31-L121 VanDerWaalsContact OG1-CD1 3.26Å; T31-L121 WeakPolarHBondContact OG1-CD1 3.49Å; D32-L121 WeakPolarHBondContact OD1-CD1 3.2Å; L107-L121 HydrophobicContact CD1-CD1 4.02Å; L107-L121 HydrophobicContact CD1-CD2 3.93Å; P110-L121 HydrophobicContact CB-CD1 4.07Å; P110-L121 HydrophobicContact CB-CD2 3.98Å; P110-L121 HydrophobicContact CB-CG 3.9Å; L121-C123 HydrophobicContact CD2-CB 3.97Å; L121-Y147 CarbonylContact O-C 3.53Å; L121-Y147 WeakPolarHBondContact O-CA 3.43Å; L121-L148 HydrophobicContact CB-CB 4.3Å; L121-L148 HydrophobicContact CD2-CD1 4.33Å; L121-L148 PolarHBondContact N-O 2.83Å; L121-L148 PolarHBondContact O-N 2.82Å; L121-F150 HydrophobicContact CB-CE2 4.05Å
122D97.4Very high95.3Very high39 Ų3943.8 Ų43.821%0.20923%0.233CC..EExtended strand (participates in β ladder)trans-117.1109.6176-172.412.2000110.3K111 R145 Y147K111-D122 PolarHBondContact N-O 2.91Å; K111-D122 PolarHBondContact O-N 2.6Å; D122-R145 IonicContact OD1-CZ 2.9Å; D122-R145 IonicContact OD1-NE 2.79Å; D122-R145 PolarHBondContact OD1-NE 2.95Å; D122-R145 IonicContact OD1-NH2 3.36Å; D122-R145 PolarHBondContact OD1-NH2 3.14Å; D122-R145 IonicContact OD2-CZ 3.59Å; D122-R145 IonicContact OD2-NE 3.27Å; D122-R145 IonicContact OD2-NH2 2.68Å; D122-R145 PolarHBondContact OD2-NH2 3.19Å; D122-Y147 HydrophobicContact CB-CD2 3.99Å
123C97.3Very high94.8Very high0 Ų042.5 Ų42.50%023%0.232CC..EExtended strand (participates in β ladder)trans-116.2103.7179.1-174.50000109.6L107 K108 P110 L121 Q125 R145 L146L107-C123 HydrophobicContact CB-CB 4.43Å; L107-C123 HydrophobicContact CD2-CB 4.08Å; K108-C123 PolarHBondContact N-SG 3.42Å; K108-C123 PolarHBondContact O-SG 3.02Å; K108-C123 VanDerWaalsContact O-SG 3.33Å; P110-C123 HydrophobicContact CB-CB 4.12Å; L121-C123 HydrophobicContact CD2-CB 3.97Å; C123-Q125 VanDerWaalsContact C-N 3.31Å; C123-Q125 PolarHBondContact O-N 3.21Å; C123-R145 CarbonylContact O-C 3.57Å; C123-R145 VanDerWaalsContact O-CA 3.31Å; C123-R145 WeakPolarHBondContact O-CA 3.41Å; C123-L146 PolarHBondContact N-O 2.83Å; C123-L146 PolarHBondContact O-N 3.43Å
124D96.8Very high93.9Very high77 Ų7749 Ų4941%0.41225%0.252SS..EExtended strand (participates in β ladder)trans-64.6-39.6174.5-168.860.2000110.7G126 G144 R166D124-G126 PolarHBondContact O-N 3.49Å; D124-G144 CarbonylContact O-C 3.54Å; D124-R166 VanDerWaalsContact CG-NH1 3.34Å; D124-R166 PolarHBondContact O-NH2 3.15Å; D124-R166 IonicContact OD1-CZ 3.4Å; D124-R166 IonicContact OD1-NH1 3.03Å; D124-R166 PolarHBondContact OD1-NH1 2.83Å; D124-R166 IonicContact OD1-NH2 3.31Å; D124-R166 PolarHBondContact OD1-NH2 2.65Å; D124-R166 IonicContact OD2-CZ 3.34Å; D124-R166 IonicContact OD2-NH1 2.92Å; D124-R166 PolarHBondContact OD2-NH1 3.11Å; D124-R166 IonicContact OD2-NH2 2.81Å; D124-R166 PolarHBondContact OD2-NH2 3.14Å
125Q96.5Very high92.6Very high107 Ų10748.3 Ų48.350%0.526%0.259SS..EExtended strand (participates in β ladder)trans-96.555-179.9-64-175.5-7.600112.1K108 C123K108-Q125 HydrophobicContact CB-CB 3.9Å; K108-Q125 PolarHBondContact N-O 3.1Å; C123-Q125 VanDerWaalsContact C-N 3.31Å; C123-Q125 PolarHBondContact O-N 3.21Å
126G97.1Very high91.6Very high1 Ų146.1 Ų46.11%0.0125%0.25CC..EExtended strand (participates in β ladder)trans-81.4142.3171.400000111.4D124 E143 G144D124-G126 PolarHBondContact O-N 3.49Å; G126-E143 WeakPolarHBondContact O-CA 3.42Å; G126-G144 CarbonylContact C-O 3.59Å; G126-G144 VanDerWaalsContact CA-O 3.29Å; G126-G144 WeakPolarHBondContact CA-O 3.27Å; G126-G144 PolarHBondContact N-O 3.16Å; G126-G144 PolarHBondContact O-N 2.92Å
127S97.7Very high91.5Very high21 Ų2145.3 Ų45.315%0.14723%0.234CC..EExtended strand (participates in β ladder)trans-131.7123.5173.8-55.70000110.5Y105 V106 V142Y105-S127 CarbonylContact C-O 3.48Å; Y105-S127 WeakPolarHBondContact CA-O 3.33Å; V106-S127 PolarHBondContact N-O 3.45Å; V106-S127 PolarHBondContact O-N 3.3Å; S127-V142 CarbonylContact C-O 3.45Å; S127-V142 VanDerWaalsContact CA-O 3.27Å; S127-V142 WeakPolarHBondContact CA-O 3.19Å
128M98Very high91.5Very high3 Ų340.3 Ų40.32%0.01521%0.207CC..EExtended strand (participates in β ladder)trans-93.4119.7167.3173.1-172.6170.400107.5I95 L103 Y105 T130 V142 F163I95-M128 HydrophobicContact CD1-CE 3.6Å; I95-M128 HydrophobicContact CG1-CE 4.15Å; I95-M128 HydrophobicContact CG2-CE 4.04Å; L103-M128 HydrophobicContact CD1-CE 3.64Å; L103-M128 HydrophobicContact CD1-CG 3.78Å; Y105-M128 HydrophobicContact CD1-CB 3.84Å; Y105-M128 HydrophobicContact CD1-CG 4.21Å; Y105-M128 HydrophobicContact CE1-CB 3.59Å; Y105-M128 HydrophobicContact CE1-CG 3.59Å; Y105-M128 HydrophobicContact CE1-SD 4.13Å; M128-T130 HydrophobicContact CE-CG2 3.96Å; M128-V142 HydrophobicContact CB-CB 4.21Å; M128-V142 PolarHBondContact N-O 2.89Å; M128-V142 PolarHBondContact O-N 3.1Å; M128-F163 HydrophobicContact CB-CE1 3.94Å; M128-F163 HydrophobicContact CB-CZ 4.05Å; M128-F163 HydrophobicContact SD-CE1 4.36Å
129V97.9Very high91.5Very high8 Ų840.3 Ų40.35%0.04821%0.208CC..EExtended strand (participates in β ladder)trans-115126.1-178.1-173.30000109.3L103 Y104 Q139 V140L103-V129 WeakPolarHBondContact CA-O 3.38Å; Y104-V129 HydrophobicContact CD1-CB 4.42Å; Y104-V129 HydrophobicContact CD2-CB 4.15Å; Y104-V129 HydrophobicContact CD2-CG2 4.43Å; Y104-V129 HydrophobicContact CE1-CB 3.95Å; Y104-V129 HydrophobicContact CE1-CG1 3.9Å; Y104-V129 HydrophobicContact CE2-CB 3.64Å; Y104-V129 HydrophobicContact CE2-CG1 4.15Å; Y104-V129 HydrophobicContact CE2-CG2 3.79Å; Y104-V129 PolarHBondContact N-O 3.31Å; Y104-V129 PolarHBondContact O-N 3.36Å; Y104-V129 WeakPolarHBondContact OH-CG1 3.22Å; V129-Q139 HydrophobicContact CG1-CG 3.74Å; V129-V140 WeakPolarHBondContact CA-O 3.4Å
130T96.9Very high91.5Very high4 Ų440.3 Ų40.33%0.02521%0.208CC..EExtended strand (participates in β ladder)trans-119.9136.8172.554.30000110.5I95 A100 E102 L103 M128 H132 Q139 V140I95-T130 HydrophobicContact CG2-CG2 3.69Å; A100-T130 HydrophobicContact CB-CG2 4.21Å; E102-T130 VanDerWaalsContact O-CA 3.28Å; E102-T130 WeakPolarHBondContact O-CA 3.42Å; L103-T130 HydrophobicContact CB-CG2 4.43Å; L103-T130 HydrophobicContact CD1-CG2 3.58Å; M128-T130 HydrophobicContact CE-CG2 3.96Å; T130-H132 PolarHBondContact OG1-NE2 2.75Å; T130-Q139 CarbonylContact O-C 3.51Å; T130-Q139 WeakPolarHBondContact O-CA 3.39Å; T130-V140 PolarHBondContact N-O 2.83Å; T130-V140 PolarHBondContact O-N 2.65Å
131Q94.3Very high91.6Very high65 Ų6540.8 Ų40.830%0.30421%0.21SC..EExtended strand (participates in β ladder)trans-102.6127.6169.9-166.6171.437.400108.7A100 T101 E102A100-Q131 CarbonylContact C-O 3.5Å; A100-Q131 VanDerWaalsContact CA-O 3.29Å; A100-Q131 WeakPolarHBondContact CA-O 3.36Å; T101-Q131 PolarHBondContact N-O 2.96Å; T101-Q131 PolarHBondContact OG1-O 3.29Å; E102-Q131 HydrophobicContact CB-CB 4.1Å; E102-Q131 PolarHBondContact N-O 3.14Å; E102-Q131 PolarHBondContact O-N 3.31Å; E102-Q131 VanDerWaalsContact O-N 3.1Å; E102-Q131 PolarHBondContact OE2-OE1 3.48Å
132H91.4Very high91.6Very high19 Ų1940.8 Ų40.89%0.08821%0.211CC..EExtended strand (participates in β ladder)trans-93146.5176.4-68.8-106.1000110.3G99 T130 F137 T138G99-H132 VanDerWaalsContact O-CA 3.31Å; G99-H132 WeakPolarHBondContact O-CA 3.42Å; T130-H132 PolarHBondContact OG1-NE2 2.75Å; H132-F137 VanDerWaalsContact O-CA 3.25Å; H132-F137 WeakPolarHBondContact O-CA 3.39Å; H132-T138 WeakPolarHBondContact CB-O 3.36Å; H132-T138 PolarHBondContact N-O 3.42Å
133G83.9Confident91.7Very high20 Ų2041.7 Ų41.721%0.20621%0.214CC..  trans-75.8-159.7178.900000114.1G99 F137G99-G133 PolarHBondContact O-N 3.24Å; G133-F137 PolarHBondContact O-N 3.03Å; G133-F137 VanDerWaalsContact O-N 3.09Å
134K74.8Confident91.7Very high179 Ų17941.8 Ų41.878%0.77821%0.214SC*.THydrogen-bonded Turntrans-57.8146174.5-72.5175.9-178175.60111F137K134-F137 HydrophobicContact CB-CZ 4.42Å; K134-F137 HydrophobicContact CD-CZ 4.21Å; K134-F137 HydrophobicContact CG-CE1 3.89Å; K134-F137 HydrophobicContact CG-CE2 3.79Å; K134-F137 HydrophobicContact CG-CZ 3.27Å
135P66.3Low91.7Very high104 Ų10443.2 Ų43.268%0.67521%0.214SC*.THydrogen-bonded Turncis-91.8-16.77.732.6-31.3000114.6
136M72.1Confident91.8Very high40 Ų4038.1 Ų38.120%0.19719%0.19CC..THydrogen-bonded Turntrans-94.5-18.7-164.9-68.4-52.3-51.200115.4T138 I172 P173 I176 L190M136-T138 WeakPolarHBondContact CB-OG1 3.43Å; M136-T138 PolarHBondContact O-N 3.12Å; M136-T138 VanDerWaalsContact O-N 3.09Å; M136-I172 HydrophobicContact CE-CG2 3.93Å; M136-P173 WeakPolarHBondContact O-CD 3.35Å; M136-I176 HydrophobicContact CE-CB 4.45Å; M136-I176 HydrophobicContact CE-CG2 3.43Å; M136-I176 VanDerWaalsContact CE-CG2 3.43Å; M136-I176 HydrophobicContact SD-CG2 4.06Å; M136-L190 HydrophobicContact CE-CD1 3.84Å; M136-L190 HydrophobicContact CE-CD2 3.1Å; M136-L190 HydrophobicContact CE-CG 4.01Å; M136-L190 HydrophobicContact SD-CD2 3.43Å; M136-L190 WeakPolarHBondContact SD-CD2 3.4Å
137F86Confident91.9Very high89 Ų8940.9 Ų40.939%0.3920%0.201SC..  trans5132.8-178-60.9-79.4000113.5H132 G133 K134 P173H132-F137 VanDerWaalsContact O-CA 3.25Å; H132-F137 WeakPolarHBondContact O-CA 3.39Å; G133-F137 PolarHBondContact O-N 3.03Å; G133-F137 VanDerWaalsContact O-N 3.09Å; K134-F137 HydrophobicContact CB-CZ 4.42Å; K134-F137 HydrophobicContact CD-CZ 4.21Å; K134-F137 HydrophobicContact CG-CE1 3.89Å; K134-F137 HydrophobicContact CG-CE2 3.79Å; K134-F137 HydrophobicContact CG-CZ 3.27Å; F137-P173 HydrophobicContact CB-CG 3.98Å
138T92.1Very high91.9Very high3 Ų339.9 Ų39.92%0.01819%0.194CC..PPolyproline II helixtrans-71.9133.7-175.3-560000110.1H132 M136 V140 E170 L171 I172 I194H132-T138 WeakPolarHBondContact CB-O 3.36Å; H132-T138 PolarHBondContact N-O 3.42Å; M136-T138 WeakPolarHBondContact CB-OG1 3.43Å; M136-T138 PolarHBondContact O-N 3.12Å; M136-T138 VanDerWaalsContact O-N 3.09Å; T138-V140 HydrophobicContact CG2-CG2 4.35Å; T138-E170 HydrophobicContact CG2-CB 3.96Å; T138-L171 WeakPolarHBondContact CA-O 3.35Å; T138-I172 HydrophobicContact CG2-CG1 4.36Å; T138-I194 HydrophobicContact CG2-CD1 4.29Å
139Q95.6Very high91.9Very high59 Ų5941.8 Ų41.828%0.27620%0.202SC..EExtended strand (participates in β ladder)trans-98.8122.9169.7-176.4-179.3-57.700109.6V129 T130 C141 L171V129-Q139 HydrophobicContact CG1-CG 3.74Å; T130-Q139 CarbonylContact O-C 3.51Å; T130-Q139 WeakPolarHBondContact O-CA 3.39Å; Q139-C141 PolarHBondContact NE2-SG 2.89Å; Q139-L171 HydrophobicContact CB-CB 4.31Å; Q139-L171 PolarHBondContact N-O 3.1Å; Q139-L171 PolarHBondContact O-N 3.14Å
140V96.8Very high91.8Very high0 Ų041.4 Ų41.40%020%0.2CC..EExtended strand (participates in β ladder)trans-102.7123.2176.7-175.60000108.4V129 T130 T138 V142 R169 E170 I194 T195V129-V140 WeakPolarHBondContact CA-O 3.4Å; T130-V140 PolarHBondContact N-O 2.83Å; T130-V140 PolarHBondContact O-N 2.65Å; T138-V140 HydrophobicContact CG2-CG2 4.35Å; V140-V142 HydrophobicContact CG1-CG2 4.07Å; V140-R169 CarbonylContact C-O 3.58Å; V140-R169 WeakPolarHBondContact CA-O 3.48Å; V140-E170 HydrophobicContact CG1-CG 4.37Å; V140-E170 HydrophobicContact CG2-CG 4.11Å; V140-I194 HydrophobicContact CG2-CD1 4.39Å; V140-T195 HydrophobicContact CG1-CG2 4.17Å; V140-T195 HydrophobicContact CG2-CG2 4.01Å
141C97.5Very high91.8Very high18 Ų1843.6 Ų43.612%0.12221%0.211CC..EExtended strand (participates in β ladder)trans-113.5110.7177.6-59.60000108.7Q139 H168 R169Q139-C141 PolarHBondContact NE2-SG 2.89Å; C141-H168 CarbonylContact O-C 3.53Å; C141-H168 VanDerWaalsContact O-CA 3.24Å; C141-H168 WeakPolarHBondContact O-CA 3.24Å; C141-R169 PolarHBondContact N-O 2.73Å; C141-R169 PolarHBondContact O-N 3.5Å
142V98.1Very high91.6Very high1 Ų146 Ų461%0.00622%0.22CC..EExtended strand (participates in β ladder)trans-101.3115.5179.8-168.10000108.6S127 M128 V140 F163 I165 H168 G198S127-V142 CarbonylContact C-O 3.45Å; S127-V142 VanDerWaalsContact CA-O 3.27Å; S127-V142 WeakPolarHBondContact CA-O 3.19Å; M128-V142 HydrophobicContact CB-CB 4.21Å; M128-V142 PolarHBondContact N-O 2.89Å; M128-V142 PolarHBondContact O-N 3.1Å; V140-V142 HydrophobicContact CG1-CG2 4.07Å; V142-F163 HydrophobicContact CB-CE1 4.42Å; V142-F163 HydrophobicContact CG1-CE1 3.96Å; V142-F163 HydrophobicContact CG1-CZ 4.31Å; V142-I165 HydrophobicContact CG1-CB 4.22Å; V142-I165 HydrophobicContact CG1-CD1 3.9Å; V142-I165 HydrophobicContact CG1-CG1 3.77Å; V142-I165 HydrophobicContact CG1-CG2 3.5Å; V142-H168 HydrophobicContact CG1-CB 4.49Å; V142-H168 HydrophobicContact CG2-CB 4.39Å; V142-G198 WeakPolarHBondContact CG2-O 3.36Å
143E97.7Very high91.6Very high58 Ų5847.9 Ų47.927%0.27123%0.231SC..EExtended strand (participates in β ladder)trans-102.1134.7-177.5-64.1-179.2-174.100110.5G126 R166 Q167G126-E143 WeakPolarHBondContact O-CA 3.42Å; E143-R166 PolarHBondContact O-N 2.93Å; E143-Q167 HydrophobicContact CB-CG 3.98Å; E143-Q167 PolarHBondContact N-O 2.86Å; E143-Q167 PolarHBondContact O-N 3.28Å; E143-Q167 PolarHBondContact OE2-NE2 3.1Å
144G97.1Very high91.8Very high1 Ų155.2 Ų55.21%0.0127%0.266CS..EExtended strand (participates in β ladder)trans-173.1172.6-175.100000112.9D124 G126 S164D124-G144 CarbonylContact O-C 3.54Å; G126-G144 CarbonylContact C-O 3.59Å; G126-G144 VanDerWaalsContact CA-O 3.29Å; G126-G144 WeakPolarHBondContact CA-O 3.27Å; G126-G144 PolarHBondContact N-O 3.16Å; G126-G144 PolarHBondContact O-N 2.92Å; G144-S164 CarbonylContact C-O 3.6Å; G144-S164 WeakPolarHBondContact CA-O 2.98Å
145R98.1Very high92.5Very high107 Ų10751.5 Ų51.540%0.40425%0.252SS..EExtended strand (participates in β ladder)trans-82.7120.9171.2178.4173.8178.7-159.70.8108.8D122 C123 S164D122-R145 IonicContact OD1-CZ 2.9Å; D122-R145 IonicContact OD1-NE 2.79Å; D122-R145 PolarHBondContact OD1-NE 2.95Å; D122-R145 IonicContact OD1-NH2 3.36Å; D122-R145 PolarHBondContact OD1-NH2 3.14Å; D122-R145 IonicContact OD2-CZ 3.59Å; D122-R145 IonicContact OD2-NE 3.27Å; D122-R145 IonicContact OD2-NH2 2.68Å; D122-R145 PolarHBondContact OD2-NH2 3.19Å; C123-R145 CarbonylContact O-C 3.57Å; C123-R145 VanDerWaalsContact O-CA 3.31Å; C123-R145 WeakPolarHBondContact O-CA 3.41Å; R145-S164 PolarHBondContact N-O 3.02Å; R145-S164 PolarHBondContact O-N 3.08Å
146L98.4Very high93.8Very high1 Ų147.4 Ų47.41%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-102.9120.1171.1-174.667.8000109.1L107 C123 L148 W161 F163L107-L146 HydrophobicContact CD2-CB 4.32Å; L107-L146 HydrophobicContact CD2-CD2 3.57Å; C123-L146 PolarHBondContact N-O 2.83Å; C123-L146 PolarHBondContact O-N 3.43Å; L146-L148 HydrophobicContact CD1-CD2 3.98Å; L146-L148 HydrophobicContact CD2-CD1 4.05Å; L146-L148 HydrophobicContact CD2-CD2 4.25Å; L146-L148 HydrophobicContact CD2-CG 4.17Å; L146-L148 HydrophobicContact CG-CD1 4.46Å; L146-L148 HydrophobicContact CG-CD2 4.03Å; L146-L148 HydrophobicContact CG-CG 4.04Å; L146-W161 HydrophobicContact CD1-CD2 4.31Å; L146-W161 HydrophobicContact CD1-CZ2 3.9Å; L146-W161 HydrophobicContact CD2-CZ2 4.4Å; L146-F163 HydrophobicContact CB-CD2 3.94Å; L146-F163 HydrophobicContact CB-CE2 4.4Å; L146-F163 HydrophobicContact CD1-CB 3.85Å; L146-F163 HydrophobicContact CD1-CD2 3.84Å; L146-F163 HydrophobicContact CD1-CG 4.18Å; L146-F163 HydrophobicContact CG-CD2 4.49Å
147Y98.3Very high95Very high59 Ų5946.7 Ų46.723%0.23122%0.219CC..EExtended strand (participates in β ladder)trans-115.1128.3173.1176.2-98000109.2L121 D122 E149 H162L121-Y147 CarbonylContact O-C 3.53Å; L121-Y147 WeakPolarHBondContact O-CA 3.43Å; D122-Y147 HydrophobicContact CB-CD2 3.99Å; Y147-E149 HydrophobicContact CE1-CG 3.55Å; Y147-E149 WeakPolarHBondContact CE1-OE1 3.4Å; Y147-E149 WeakPolarHBondContact OH-CG 3.12Å; Y147-E149 PolarHBondContact OH-OE1 2.98Å; Y147-H162 HydrophobicContact CD1-CB 4.47Å; Y147-H162 PolarHBondContact N-O 3.45Å; Y147-H162 PolarHBondContact O-N 3.45Å
148L98.3Very high95.5Very high0 Ų042.6 Ų42.60%020%0.202CC..EExtended strand (participates in β ladder)trans-127.6143.1-179.1-55.9176.2000110.4I35 S120 L121 L146 F150 I158 T160 W161I35-L148 HydrophobicContact CD1-CD1 3.43Å; I35-L148 VanDerWaalsContact CD1-CD1 3.43Å; I35-L148 HydrophobicContact CG1-CD1 4.04Å; S120-L148 CarbonylContact C-O 3.55Å; S120-L148 VanDerWaalsContact CA-O 3.27Å; S120-L148 WeakPolarHBondContact CA-O 3.5Å; L121-L148 HydrophobicContact CB-CB 4.3Å; L121-L148 HydrophobicContact CD2-CD1 4.33Å; L121-L148 PolarHBondContact N-O 2.83Å; L121-L148 PolarHBondContact O-N 2.82Å; L146-L148 HydrophobicContact CD1-CD2 3.98Å; L146-L148 HydrophobicContact CD2-CD1 4.05Å; L146-L148 HydrophobicContact CD2-CD2 4.25Å; L146-L148 HydrophobicContact CD2-CG 4.17Å; L146-L148 HydrophobicContact CG-CD1 4.46Å; L146-L148 HydrophobicContact CG-CD2 4.03Å; L146-L148 HydrophobicContact CG-CG 4.04Å; L148-F150 HydrophobicContact CB-CD2 4.26Å; L148-F150 HydrophobicContact CB-CE2 3.64Å; L148-F150 HydrophobicContact CB-CZ 4.21Å; L148-F150 HydrophobicContact CD1-CE2 3.84Å; L148-F150 HydrophobicContact CD1-CZ 3.72Å; L148-F150 HydrophobicContact CG-CE2 4.42Å; L148-I158 HydrophobicContact CD2-CG2 4.42Å; L148-T160 CarbonylContact C-O 3.59Å; L148-T160 VanDerWaalsContact CA-O 3.27Å; L148-T160 WeakPolarHBondContact CA-O 3.07Å; L148-W161 HydrophobicContact CD2-CB 4.13Å; L148-W161 HydrophobicContact CD2-CD2 3.65Å; L148-W161 HydrophobicContact CD2-CE3 3.53Å; L148-W161 HydrophobicContact CD2-CG 3.95Å; L148-W161 HydrophobicContact CD2-CZ3 4.13Å
149E97.8Very high95.8Very high42 Ų4245.7 Ų45.720%0.19622%0.215CC..EExtended strand (participates in β ladder)trans-118.4122.5166.6-62.8172.7163.800108.6F118 Y147 I158 K159 T160F118-E149 HydrophobicContact CD2-CB 4.13Å; F118-E149 HydrophobicContact CD2-CG 4.08Å; F118-E149 HydrophobicContact CE2-CG 4.1Å; Y147-E149 HydrophobicContact CE1-CG 3.55Å; Y147-E149 WeakPolarHBondContact CE1-OE1 3.4Å; Y147-E149 WeakPolarHBondContact OH-CG 3.12Å; Y147-E149 PolarHBondContact OH-OE1 2.98Å; E149-I158 CarbonylContact O-C 3.4Å; E149-K159 PolarHBondContact O-N 3.42Å; E149-T160 PolarHBondContact N-O 2.77Å; E149-T160 PolarHBondContact O-N 3.31Å; E149-T160 VanDerWaalsContact OE2-CB 3.27Å; E149-T160 WeakPolarHBondContact OE2-CB 3.34Å; E149-T160 PolarHBondContact OE2-OG1 2.66Å
150F97.1Very high95.9Very high1 Ų144.6 Ų44.60%0.00421%0.212CC..EExtended strand (participates in β ladder)trans-103.3136.5175.8-64-91.7000109.6T31 R34 I35 F118 V119 L121 L148 F152 M156 R157 I158T31-F150 HydrophobicContact CG2-CD2 3.63Å; T31-F150 HydrophobicContact CG2-CE2 3.98Å; T31-F150 HydrophobicContact CG2-CG 4.15Å; R34-F150 HydrophobicContact CB-CE1 3.86Å; R34-F150 HydrophobicContact CB-CZ 4.39Å; R34-F150 HydrophobicContact CG-CE1 4.36Å; I35-F150 HydrophobicContact CD1-CZ 4.22Å; I35-F150 HydrophobicContact CG1-CZ 4.38Å; F118-F150 CarbonylContact C-O 3.53Å; F118-F150 WeakPolarHBondContact CA-O 3.26Å; F118-F150 WeakPolarHBondContact CB-O 3.49Å; V119-F150 PolarHBondContact N-O 3.05Å; V119-F150 PolarHBondContact O-N 2.86Å; L121-F150 HydrophobicContact CB-CE2 4.05Å; L148-F150 HydrophobicContact CB-CD2 4.26Å; L148-F150 HydrophobicContact CB-CE2 3.64Å; L148-F150 HydrophobicContact CB-CZ 4.21Å; L148-F150 HydrophobicContact CD1-CE2 3.84Å; L148-F150 HydrophobicContact CD1-CZ 3.72Å; L148-F150 HydrophobicContact CG-CE2 4.42Å; F150-F152 PolarHBondContact O-N 3.48Å; F150-M156 HydrophobicContact CB-CE 4.13Å; F150-M156 WeakPolarHBondContact CD1-O 3.47Å; F150-R157 VanDerWaalsContact CA-O 3.32Å; F150-R157 WeakPolarHBondContact CA-O 3.37Å; F150-I158 HydrophobicContact CD1-CG1 3.78Å; F150-I158 HydrophobicContact CE1-CD1 4.11Å; F150-I158 HydrophobicContact CE1-CG1 3.36Å; F150-I158 HydrophobicContact CZ-CD1 4.49Å; F150-I158 HydrophobicContact CZ-CG1 4.01Å
151M95.6Very high96Very high50 Ų5044.6 Ų44.625%0.24621%0.212CC..EExtended strand (participates in β ladder)trans-63.9135.5168.5-72.3-59.6-64.100109.8E63 D153 R157 K159E63-M151 HydrophobicContact CG-CB 4.47Å; E63-M151 HydrophobicContact CG-CG 3.59Å; M151-D153 PolarHBondContact O-N 2.91Å; M151-R157 PolarHBondContact N-O 2.95Å; M151-K159 HydrophobicContact CG-CB 4.35Å; M151-K159 HydrophobicContact SD-CD 3.76Å
152F91.3Very high96.1Very high114 Ų11446.5 Ų46.550%0.522%0.219SC..SBendtrans-86.269.2178.7-169.6-117.7000110.1F114 N117 V119 F150 M156F114-F152 HydrophobicContact CD1-CE2 4.48Å; N117-F152 PolarHBondContact O-N 3.17Å; N117-F152 VanDerWaalsContact O-N 3.17Å; V119-F152 HydrophobicContact CG2-CB 4.33Å; V119-F152 HydrophobicContact CG2-CD2 3.53Å; V119-F152 HydrophobicContact CG2-CE2 4.24Å; V119-F152 HydrophobicContact CG2-CG 4.27Å; F150-F152 PolarHBondContact O-N 3.48Å; F152-M156 HydrophobicContact CD2-SD 4.37Å
153D90.2Very high96.1Very high59 Ų5946.6 Ų46.632%0.31622%0.219SC..SBendtrans-132.6-177176.466.219.2000110.9M151 M155 M156M151-D153 PolarHBondContact O-N 2.91Å; D153-M155 PolarHBondContact O-N 3.44Å; D153-M155 PolarHBondContact OD1-N 2.96Å; D153-M156 WeakPolarHBondContact O-CG 3.27Å; D153-M156 PolarHBondContact O-N 3.25Å; D153-M156 PolarHBondContact OD1-N 2.76Å
154D87.9Confident96.1Very high175 Ų17545.4 Ų45.494%0.93622%0.217SC*.THydrogen-bonded Turntrans-64.9-21.1-177.5-65.3-26.6000113.5
155M89.9Confident96.1Very high100 Ų10046.1 Ų46.149%0.49322%0.221SC..THydrogen-bonded Turntrans-94.6-22-175.8-61.8-177.1-70.300112.7R34 D153 R157R34-M155 PolarHBondContact NE-O 3.22Å; R34-M155 PolarHBondContact NH2-O 3.33Å; D153-M155 PolarHBondContact O-N 3.44Å; D153-M155 PolarHBondContact OD1-N 2.96Å; M155-R157 VanDerWaalsContact C-N 3.29Å; M155-R157 HydrophobicContact CB-CG 3.88Å; M155-R157 PolarHBondContact O-N 3.47Å
156M93.5Very high96Very high18 Ų1847.8 Ų47.89%0.08923%0.227CC..  trans46.352.9180-72-73.4-72.200111.5Q30 T31 R34 V119 F150 F152 D153Q30-M156 HydrophobicContact CB-CE 4.45Å; T31-M156 HydrophobicContact CG2-CE 3.61Å; R34-M156 HydrophobicContact CG-CB 4.01Å; R34-M156 PolarHBondContact NE-O 3.16Å; V119-M156 HydrophobicContact CB-CE 4.46Å; V119-M156 HydrophobicContact CG2-CE 4.24Å; F150-M156 HydrophobicContact CB-CE 4.13Å; F150-M156 WeakPolarHBondContact CD1-O 3.47Å; F152-M156 HydrophobicContact CD2-SD 4.37Å; D153-M156 WeakPolarHBondContact O-CG 3.27Å; D153-M156 PolarHBondContact O-N 3.25Å; D153-M156 PolarHBondContact OD1-N 2.76Å
157R96.9Very high95.9Very high25 Ų2552.2 Ų52.29%0.09425%0.248CC..  trans-86.7151.9178.3-61.8-172.8-62.2172.72.2111.1T59 E63 F150 M151 M155 K159T59-R157 WeakPolarHBondContact O-CD 3.4Å; T59-R157 PolarHBondContact O-NH1 2.91Å; E63-R157 HydrophobicContact CG-CB 4.09Å; E63-R157 WeakPolarHBondContact OE1-CB 3.17Å; E63-R157 IonicContact OE1-CZ 3.22Å; E63-R157 IonicContact OE1-NE 2.84Å; E63-R157 PolarHBondContact OE1-NE 3.24Å; E63-R157 IonicContact OE1-NH2 3.96Å; E63-R157 PolarHBondContact OE1-NH2 3.45Å; E63-R157 IonicContact OE2-CZ 3.95Å; E63-R157 IonicContact OE2-NH2 3.9Å; E63-R157 PolarHBondContact OE2-NH2 3.26Å; F150-R157 VanDerWaalsContact CA-O 3.32Å; F150-R157 WeakPolarHBondContact CA-O 3.37Å; M151-R157 PolarHBondContact N-O 2.95Å; M155-R157 VanDerWaalsContact C-N 3.29Å; M155-R157 HydrophobicContact CB-CG 3.88Å; M155-R157 PolarHBondContact O-N 3.47Å; R157-K159 PolarHBondContact O-N 3.46Å
158I98.3Very high95.8Very high3 Ų351.7 Ų51.72%0.01525%0.247CC..EExtended strand (participates in β ladder)trans-77.1119.4-178.1-58.2168.2000108.7L38 F61 F62 E63 A66 L148 E149 F150 T160 W161L38-I158 HydrophobicContact CD1-CD1 4.09Å; F61-I158 WeakPolarHBondContact O-CB 3.34Å; F61-I158 WeakPolarHBondContact O-CG1 3.44Å; F61-I158 PolarHBondContact O-N 3.27Å; F62-I158 WeakPolarHBondContact CA-O 3.37Å; F62-I158 HydrophobicContact CD1-CB 3.9Å; F62-I158 HydrophobicContact CD1-CG2 4.01Å; F62-I158 HydrophobicContact CE1-CB 4.1Å; F62-I158 HydrophobicContact CE1-CD1 4.33Å; F62-I158 HydrophobicContact CE1-CG2 3.91Å; F62-I158 HydrophobicContact CG-CB 4.45Å; F62-I158 HydrophobicContact CZ-CD1 4.24Å; E63-I158 PolarHBondContact N-O 2.65Å; A66-I158 WeakPolarHBondContact CB-O 3.35Å; L148-I158 HydrophobicContact CD2-CG2 4.42Å; E149-I158 CarbonylContact O-C 3.4Å; F150-I158 HydrophobicContact CD1-CG1 3.78Å; F150-I158 HydrophobicContact CE1-CD1 4.11Å; F150-I158 HydrophobicContact CE1-CG1 3.36Å; F150-I158 HydrophobicContact CZ-CD1 4.49Å; F150-I158 HydrophobicContact CZ-CG1 4.01Å; I158-T160 WeakPolarHBondContact CG2-O 3.43Å; I158-W161 HydrophobicContact CD1-CE3 3.82Å; I158-W161 HydrophobicContact CD1-CZ3 3.89Å; I158-W161 HydrophobicContact CG2-CB 4.2Å; I158-W161 HydrophobicContact CG2-CE3 4.43Å
159K97.9Very high95.6Very high69 Ų6958.5 Ų58.530%0.327%0.273SS..EExtended strand (participates in β ladder)trans-89.7-44171.4-178.3167.2-171.9144.10111.8E63 D65 A66 M67 E149 M151 R157E63-K159 HydrophobicContact CG-CB 4.45Å; D65-K159 IonicContact OD1-NZ 2.86Å; D65-K159 WeakPolarHBondContact OD2-CE 3.42Å; D65-K159 IonicContact OD2-NZ 2.71Å; D65-K159 PolarHBondContact OD2-NZ 2.96Å; A66-K159 CarbonylContact C-O 3.59Å; A66-K159 WeakPolarHBondContact CA-O 3.43Å; M67-K159 PolarHBondContact N-O 2.93Å; E149-K159 PolarHBondContact O-N 3.42Å; M151-K159 HydrophobicContact CG-CB 4.35Å; M151-K159 HydrophobicContact SD-CD 3.76Å; R157-K159 PolarHBondContact O-N 3.46Å
160T98.3Very high95.5Very high35 Ų3558.2 Ų58.222%0.21527%0.272CS..EExtended strand (participates in β ladder)trans-125.3127.7-179.4-54.90000109L148 E149 I158L148-T160 CarbonylContact C-O 3.59Å; L148-T160 VanDerWaalsContact CA-O 3.27Å; L148-T160 WeakPolarHBondContact CA-O 3.07Å; E149-T160 PolarHBondContact N-O 2.77Å; E149-T160 PolarHBondContact O-N 3.31Å; E149-T160 VanDerWaalsContact OE2-CB 3.27Å; E149-T160 WeakPolarHBondContact OE2-CB 3.34Å; E149-T160 PolarHBondContact OE2-OG1 2.66Å; I158-T160 WeakPolarHBondContact CG2-O 3.43Å
161W98.6Very high95.4Very high0 Ų062.3 Ų62.30%029%0.294CS..EExtended strand (participates in β ladder)trans-118.8114.5169.9-179.9-64.7000109L38 F62 M67 L68 T69 Y105 L146 L148 I158L38-W161 HydrophobicContact CD1-CZ3 3.93Å; F62-W161 HydrophobicContact CE1-CB 4.15Å; F62-W161 HydrophobicContact CE1-CD2 4.49Å; F62-W161 AromaticContact CE1-CE3 3.96Å; F62-W161 HydrophobicContact CE1-CE3 3.96Å; F62-W161 HydrophobicContact CZ-CD2 4.45Å; F62-W161 AromaticContact CZ-CE3 3.74Å; F62-W161 HydrophobicContact CZ-CE3 3.74Å; F62-W161 HydrophobicContact CZ-CZ3 4.22Å; M67-W161 PolarHBondContact O-N 2.83Å; L68-W161 CarbonylContact C-O 3.46Å; L68-W161 WeakPolarHBondContact CA-O 3.44Å; L68-W161 HydrophobicContact CB-CB 4.31Å; L68-W161 HydrophobicContact CD1-CB 4.44Å; L68-W161 HydrophobicContact CD1-CG 4.11Å; L68-W161 HydrophobicContact CG-CB 4.11Å; L68-W161 HydrophobicContact CG-CG 3.99Å; T69-W161 PolarHBondContact N-O 3.41Å; Y105-W161 HydrophobicContact CD1-CH2 4.29Å; Y105-W161 HydrophobicContact CD1-CZ2 4.07Å; Y105-W161 HydrophobicContact CD2-CH2 4.01Å; Y105-W161 HydrophobicContact CD2-CZ2 4.47Å; Y105-W161 HydrophobicContact CE1-CH2 4.05Å; Y105-W161 AromaticContact CE1-CZ2 3.55Å; Y105-W161 HydrophobicContact CE1-CZ2 3.55Å; Y105-W161 AromaticContact CE2-CH2 3.76Å; Y105-W161 HydrophobicContact CE2-CH2 3.76Å; Y105-W161 HydrophobicContact CE2-CZ2 4.01Å; Y105-W161 HydrophobicContact CG-CH2 4.26Å; Y105-W161 AromaticContact CZ-CH2 3.78Å; Y105-W161 AromaticContact CZ-CZ2 3.51Å; L146-W161 HydrophobicContact CD1-CD2 4.31Å; L146-W161 HydrophobicContact CD1-CZ2 3.9Å; L146-W161 HydrophobicContact CD2-CZ2 4.4Å; L148-W161 HydrophobicContact CD2-CB 4.13Å; L148-W161 HydrophobicContact CD2-CD2 3.65Å; L148-W161 HydrophobicContact CD2-CE3 3.53Å; L148-W161 HydrophobicContact CD2-CG 3.95Å; L148-W161 HydrophobicContact CD2-CZ3 4.13Å; I158-W161 HydrophobicContact CD1-CE3 3.82Å; I158-W161 HydrophobicContact CD1-CZ3 3.89Å; I158-W161 HydrophobicContact CG2-CB 4.2Å; I158-W161 HydrophobicContact CG2-CE3 4.43Å
162H98.6Very high95.2Very high59 Ų5962.9 Ų62.927%0.27330%0.297SS..EExtended strand (participates in β ladder)trans-126.2109.7175.8-172-179.2000110.8T69 T71 Y147 S164T69-H162 WeakPolarHBondContact O-CA 3.47Å; T71-H162 PolarHBondContact OG1-NE2 3.32Å; T71-H162 VanDerWaalsContact OG1-NE2 3.1Å; Y147-H162 HydrophobicContact CD1-CB 4.47Å; Y147-H162 PolarHBondContact N-O 3.45Å; Y147-H162 PolarHBondContact O-N 3.45Å; H162-S164 PolarHBondContact NE2-OG 3.49Å; H162-S164 VanDerWaalsContact NE2-OG 3.16Å
163F98.4Very high95.2Very high2 Ų259.5 Ų59.51%0.00929%0.286CS..EExtended strand (participates in β ladder)trans-107.9116.3174.5-168.3-133.1000111.1T69 I70 T71 M128 V142 L146 I165T69-F163 PolarHBondContact O-N 2.88Å; I70-F163 WeakPolarHBondContact CA-O 3.47Å; I70-F163 HydrophobicContact CD1-CB 3.84Å; T71-F163 PolarHBondContact N-O 2.88Å; M128-F163 HydrophobicContact CB-CE1 3.94Å; M128-F163 HydrophobicContact CB-CZ 4.05Å; M128-F163 HydrophobicContact SD-CE1 4.36Å; V142-F163 HydrophobicContact CB-CE1 4.42Å; V142-F163 HydrophobicContact CG1-CE1 3.96Å; V142-F163 HydrophobicContact CG1-CZ 4.31Å; L146-F163 HydrophobicContact CB-CD2 3.94Å; L146-F163 HydrophobicContact CB-CE2 4.4Å; L146-F163 HydrophobicContact CD1-CB 3.85Å; L146-F163 HydrophobicContact CD1-CD2 3.84Å; L146-F163 HydrophobicContact CD1-CG 4.18Å; L146-F163 HydrophobicContact CG-CD2 4.49Å; F163-I165 HydrophobicContact CD1-CD1 4.32Å; F163-I165 HydrophobicContact CD1-CG1 3.75Å; F163-I165 HydrophobicContact CE1-CD1 4.29Å; F163-I165 HydrophobicContact CE1-CG1 3.63Å; F163-I165 HydrophobicContact CZ-CG1 4.38Å
164S97.9Very high95.3Very high33 Ų3367.6 Ų67.623%0.23131%0.313CS..EExtended strand (participates in β ladder)trans-106.399.6177.7-62.90000110T71 G144 R145 H162T71-S164 CarbonylContact O-C 3.56Å; G144-S164 CarbonylContact C-O 3.6Å; G144-S164 WeakPolarHBondContact CA-O 2.98Å; R145-S164 PolarHBondContact N-O 3.02Å; R145-S164 PolarHBondContact O-N 3.08Å; H162-S164 PolarHBondContact NE2-OG 3.49Å; H162-S164 VanDerWaalsContact NE2-OG 3.16Å
165I97.7Very high95.4Very high17 Ų1763.2 Ų63.29%0.08730%0.296CS..EExtended strand (participates in β ladder)trans-71.9130.7-176.9-59.1170.3000109.4I70 T71 F72 V142 F163 L199I70-I165 HydrophobicContact CG2-CD1 3.98Å; T71-I165 PolarHBondContact O-N 3.05Å; F72-I165 HydrophobicContact CB-CB 3.99Å; F72-I165 HydrophobicContact CB-CD1 4.2Å; F72-I165 HydrophobicContact CD1-CD1 4.37Å; V142-I165 HydrophobicContact CG1-CB 4.22Å; V142-I165 HydrophobicContact CG1-CD1 3.9Å; V142-I165 HydrophobicContact CG1-CG1 3.77Å; V142-I165 HydrophobicContact CG1-CG2 3.5Å; F163-I165 HydrophobicContact CD1-CD1 4.32Å; F163-I165 HydrophobicContact CD1-CG1 3.75Å; F163-I165 HydrophobicContact CE1-CD1 4.29Å; F163-I165 HydrophobicContact CE1-CG1 3.63Å; F163-I165 HydrophobicContact CZ-CG1 4.38Å; I165-L199 HydrophobicContact CD1-CD1 4.07Å; I165-L199 HydrophobicContact CD1-CD2 4.27Å; I165-L199 HydrophobicContact CD1-CG 4.07Å
166R95.8Very high95.3Very high142 Ų14259.4 Ų59.454%0.53628%0.277SS..EExtended strand (participates in β ladder)trans-105.6-47177-67.4-169.3-80.4-167.22.3111.7D124 E143D124-R166 VanDerWaalsContact CG-NH1 3.34Å; D124-R166 PolarHBondContact O-NH2 3.15Å; D124-R166 IonicContact OD1-CZ 3.4Å; D124-R166 IonicContact OD1-NH1 3.03Å; D124-R166 PolarHBondContact OD1-NH1 2.83Å; D124-R166 IonicContact OD1-NH2 3.31Å; D124-R166 PolarHBondContact OD1-NH2 2.65Å; D124-R166 IonicContact OD2-CZ 3.34Å; D124-R166 IonicContact OD2-NH1 2.92Å; D124-R166 PolarHBondContact OD2-NH1 3.11Å; D124-R166 IonicContact OD2-NH2 2.81Å; D124-R166 PolarHBondContact OD2-NH2 3.14Å; E143-R166 PolarHBondContact O-N 2.93Å
167Q94.9Very high95.1Very high94 Ų9463.1 Ų63.144%0.43930%0.296SS..EExtended strand (participates in β ladder)trans-152.9164-179.564-175.36.800110.6E143E143-Q167 HydrophobicContact CB-CG 3.98Å; E143-Q167 PolarHBondContact N-O 2.86Å; E143-Q167 PolarHBondContact O-N 3.28Å; E143-Q167 PolarHBondContact OE2-NE2 3.1Å
168H96.4Very high94.7Very high47 Ų4765.3 Ų65.322%0.21832%0.32CS..EExtended strand (participates in β ladder)trans-137.3155.6172.472.7-72.8000110.7C141 V142 E170 N193 T195 C197 G198C141-H168 CarbonylContact O-C 3.53Å; C141-H168 VanDerWaalsContact O-CA 3.24Å; C141-H168 WeakPolarHBondContact O-CA 3.24Å; V142-H168 HydrophobicContact CG1-CB 4.49Å; V142-H168 HydrophobicContact CG2-CB 4.39Å; H168-E170 IonicContact CD2-OE1 3.53Å; H168-E170 IonicContact NE2-OE1 3.48Å; H168-N193 PolarHBondContact NE2-ND2 3.48Å; H168-T195 PolarHBondContact CD2-OG1 3.2Å; H168-C197 WeakPolarHBondContact ND1-CA 3.36Å; H168-G198 PolarHBondContact CD2-N 3.19Å; H168-G198 PolarHBondContact ND1-N 3.47Å
169R95.6Very high94.3Very high143 Ų14371.3 Ų71.354%0.5435%0.35SS..EExtended strand (participates in β ladder)trans-132.9135.9176.4-64.1179.8178.9178.50.4109.3V140 C141V140-R169 CarbonylContact C-O 3.58Å; V140-R169 WeakPolarHBondContact CA-O 3.48Å; C141-R169 PolarHBondContact N-O 2.73Å; C141-R169 PolarHBondContact O-N 3.5Å
170E95.4Very high93.7Very high36 Ų3670.2 Ų70.217%0.16835%0.346CS..EExtended strand (participates in β ladder)trans-110119.7174.7-56-169.2-173.800108.5T138 V140 H168 N193 I194 T195T138-E170 HydrophobicContact CG2-CB 3.96Å; V140-E170 HydrophobicContact CG1-CG 4.37Å; V140-E170 HydrophobicContact CG2-CG 4.11Å; H168-E170 IonicContact CD2-OE1 3.53Å; H168-E170 IonicContact NE2-OE1 3.48Å; E170-N193 WeakPolarHBondContact OE1-CB 3.25Å; E170-N193 WeakPolarHBondContact OE2-CA 3.4Å; E170-I194 PolarHBondContact OE1-N 2.88Å; E170-I194 WeakPolarHBondContact OE2-CG1 3.47Å; E170-I194 PolarHBondContact OE2-N 2.97Å; E170-T195 WeakPolarHBondContact OE1-CB 3.36Å; E170-T195 PolarHBondContact OE1-N 3.27Å; E170-T195 PolarHBondContact OE1-OG1 3.42Å
171L94.1Very high93.2Very high88 Ų8871.5 Ų71.546%0.46136%0.359SS..EExtended strand (participates in β ladder)trans-107.1117.6-176.2-55176.8000108.7T138 Q139T138-L171 WeakPolarHBondContact CA-O 3.35Å; Q139-L171 HydrophobicContact CB-CB 4.31Å; Q139-L171 PolarHBondContact N-O 3.1Å; Q139-L171 PolarHBondContact O-N 3.14Å
172I92.3Very high92.7Very high61 Ų6180.8 Ų80.831%0.31340%0.403SS..  trans-99.5133.9177.9-58.3176000108.9M136 T138 R174 I176 L190M136-I172 HydrophobicContact CE-CG2 3.93Å; T138-I172 HydrophobicContact CG2-CG1 4.36Å; I172-R174 PolarHBondContact O-N 3.12Å; I172-I176 HydrophobicContact CG2-CB 4.3Å; I172-L190 HydrophobicContact CD1-CB 4.13Å; I172-L190 VanDerWaalsContact CD1-O 3.23Å; I172-L190 WeakPolarHBondContact CD1-O 3.12Å
173P91.7Very high92.3Very high43 Ų4380.7 Ų80.728%0.27940%0.404SS..  trans-58.9136.5175.1-23.933.9000112.2M136 F137 S175 I176 L177M136-P173 WeakPolarHBondContact O-CD 3.35Å; F137-P173 HydrophobicContact CB-CG 3.98Å; P173-S175 PolarHBondContact O-N 3.22Å; P173-S175 VanDerWaalsContact O-N 3.16Å; P173-I176 HydrophobicContact CB-CG1 4.27Å; P173-I176 HydrophobicContact CG-CG1 4.47Å; P173-I176 PolarHBondContact O-N 3.45Å; P173-I176 VanDerWaalsContact O-N 3.1Å; P173-L177 PolarHBondContact O-N 2.91Å
174R91.5Very high91.9Very high230 Ų23085.4 Ų85.487%0.86844%0.435SS*.Hα-helixtrans-59.3-28.3178.2-70.5-175.5179.7146.6-0.3113.3I172 L177 A178I172-R174 PolarHBondContact O-N 3.12Å; R174-L177 PolarHBondContact O-N 2.93Å; R174-A178 WeakPolarHBondContact O-CB 3.49Å; R174-A178 PolarHBondContact O-N 3.34Å
175S89.9Confident91.5Very high83 Ų8391 Ų9158%0.5846%0.458SS*.Hα-helixtrans-62-41.1176.249.10000112.5P173 A178 M179P173-S175 PolarHBondContact O-N 3.22Å; P173-S175 VanDerWaalsContact O-N 3.16Å; S175-A178 PolarHBondContact O-N 3.24Å; S175-M179 WeakPolarHBondContact O-CB 3.36Å; S175-M179 PolarHBondContact O-N 2.96Å
176I88.6Confident91Very high20 Ų2093.2 Ų93.210%0.10347%0.468CS..Hα-helixtrans-69.3-41.1178.2-57.5-63.5000110.4M136 I172 P173 A178 M179 H180 L190M136-I176 HydrophobicContact CE-CB 4.45Å; M136-I176 HydrophobicContact CE-CG2 3.43Å; M136-I176 VanDerWaalsContact CE-CG2 3.43Å; M136-I176 HydrophobicContact SD-CG2 4.06Å; I172-I176 HydrophobicContact CG2-CB 4.3Å; P173-I176 HydrophobicContact CB-CG1 4.27Å; P173-I176 HydrophobicContact CG-CG1 4.47Å; P173-I176 PolarHBondContact O-N 3.45Å; P173-I176 VanDerWaalsContact O-N 3.1Å; I176-A178 VanDerWaalsContact C-N 3.34Å; I176-A178 PolarHBondContact O-N 3.43Å; I176-M179 PolarHBondContact O-N 3.05Å; I176-H180 PolarHBondContact O-CD2 2.91Å; I176-H180 PolarHBondContact O-N 3.46Å; I176-H180 VanDerWaalsContact O-N 3.11Å; I176-L190 HydrophobicContact CG2-CD1 4.15Å
177L88.2Confident90.7Very high95 Ų9589.9 Ų89.950%0.49746%0.461SS..Hα-helixtrans-62.3-40.9175.5-171.6142.8000111.8P173 R174 A181 L187P173-L177 PolarHBondContact O-N 2.91Å; R174-L177 PolarHBondContact O-N 2.93Å; L177-A181 WeakPolarHBondContact O-CA 3.4Å; L177-A181 WeakPolarHBondContact O-CB 3.27Å; L177-A181 PolarHBondContact O-N 3.01Å; L177-L187 HydrophobicContact CD1-CD1 4.47Å; L177-L187 HydrophobicContact CG-CD1 4.39Å
178A89.3Confident90.4Very high71 Ų7189.4 Ų89.459%0.58746%0.461SS*.Hα-helixtrans-65.9-38.6175.600000112.4R174 S175 I176 H180 A181R174-A178 WeakPolarHBondContact O-CB 3.49Å; R174-A178 PolarHBondContact O-N 3.34Å; S175-A178 PolarHBondContact O-N 3.24Å; I176-A178 VanDerWaalsContact C-N 3.34Å; I176-A178 PolarHBondContact O-N 3.43Å; A178-H180 VanDerWaalsContact C-N 3.34Å; A178-H180 PolarHBondContact O-N 3.25Å; A178-A181 WeakPolarHBondContact O-CB 3.3Å; A178-A181 PolarHBondContact O-N 3.2Å
179M88.2Confident90Very high130 Ų13092.6 Ų92.664%0.6448%0.476SS*.Hα-helixtrans-64.8-37.2179.1-167.3177.779.300112.4S175 I176S175-M179 WeakPolarHBondContact O-CB 3.36Å; S175-M179 PolarHBondContact O-N 2.96Å; I176-M179 PolarHBondContact O-N 3.05Å
180H86.8Confident89.6Confident46 Ų4687 Ų8721%0.21346%0.457CS..THydrogen-bonded Turntrans-100.911.5-179.6-64.3-69.8000114I176 A178 Q182 D183 M186I176-H180 PolarHBondContact O-CD2 2.91Å; I176-H180 PolarHBondContact O-N 3.46Å; I176-H180 VanDerWaalsContact O-N 3.11Å; A178-H180 VanDerWaalsContact C-N 3.34Å; A178-H180 PolarHBondContact O-N 3.25Å; H180-Q182 PolarHBondContact O-N 2.9Å; H180-D183 PolarHBondContact O-N 2.79Å; H180-M186 HydrophobicContact CB-CB 4.07Å
181A87.1Confident89.2Confident61 Ų6189.4 Ų89.450%0.50448%0.478SS..THydrogen-bonded Turntrans-62.6-27.4-175.500000113.7L177 A178L177-A181 WeakPolarHBondContact O-CA 3.4Å; L177-A181 WeakPolarHBondContact O-CB 3.27Å; L177-A181 PolarHBondContact O-N 3.01Å; A178-A181 WeakPolarHBondContact O-CB 3.3Å; A178-A181 PolarHBondContact O-N 3.2Å
182Q88.6Confident89.1Confident195 Ų19590.9 Ų90.991%0.91148%0.48SS*.THydrogen-bonded Turntrans-89.9-2.2178.3-61.7-167.70.800113.6H180 P184H180-Q182 PolarHBondContact O-N 2.9Å; Q182-P184 WeakPolarHBondContact O-CD 3.41Å
183D90.4Very high89Confident57 Ų5793 Ų9331%0.30549%0.492SS..  trans-112.495.8179.3-173.9-17.4000110H180 Q185 M186 L187H180-D183 PolarHBondContact O-N 2.79Å; D183-Q185 PolarHBondContact O-N 2.68Å; D183-Q185 WeakPolarHBondContact OD1-CB 3.38Å; D183-Q185 PolarHBondContact OD1-N 3.01Å; D183-M186 HydrophobicContact CB-CB 4.06Å; D183-M186 HydrophobicContact CB-CG 4.24Å; D183-M186 PolarHBondContact O-N 3.46Å; D183-M186 PolarHBondContact OD1-N 3.47Å; D183-M186 VanDerWaalsContact OD1-N 3.14Å; D183-M186 WeakPolarHBondContact OD2-CG 3.37Å; D183-L187 PolarHBondContact O-N 3.18Å
184P89.2Confident88.9Confident102 Ų10294.6 Ų94.666%0.66250%0.498SS*.Hα-helixtrans-60.3-29.4179.4-24.334.4000113.7Q182 D188Q182-P184 WeakPolarHBondContact O-CD 3.41Å; P184-D188 PolarHBondContact O-N 3.18Å; P184-D188 VanDerWaalsContact O-N 3.09Å
185Q90.4Very high89Confident150 Ų15084 Ų8470%0.70146%0.458SS*.Hα-helixtrans-72.1-42.8-179.6-65.8-173.8-22.400110.9D183 D188 Q189D183-Q185 PolarHBondContact O-N 2.68Å; D183-Q185 WeakPolarHBondContact OD1-CB 3.38Å; D183-Q185 PolarHBondContact OD1-N 3.01Å; Q185-D188 PolarHBondContact O-N 3.4Å; Q185-Q189 PolarHBondContact O-N 3.35Å
186M87.4Confident89.1Confident63 Ų6386.9 Ų86.931%0.3146%0.457SS..Hα-helixtrans-65.1-41.9174.6-72.7-68146.200111H180 D183 D188 Q189 L190H180-M186 HydrophobicContact CB-CB 4.07Å; D183-M186 HydrophobicContact CB-CB 4.06Å; D183-M186 HydrophobicContact CB-CG 4.24Å; D183-M186 PolarHBondContact O-N 3.46Å; D183-M186 PolarHBondContact OD1-N 3.47Å; D183-M186 VanDerWaalsContact OD1-N 3.14Å; D183-M186 WeakPolarHBondContact OD2-CG 3.37Å; M186-D188 VanDerWaalsContact C-N 3.33Å; M186-D188 PolarHBondContact O-N 3.27Å; M186-Q189 WeakPolarHBondContact O-CA 3.33Å; M186-Q189 WeakPolarHBondContact O-CB 3.16Å; M186-Q189 PolarHBondContact O-N 2.9Å; M186-L190 VanDerWaalsContact O-CG 3.3Å; M186-L190 WeakPolarHBondContact O-CG 3.31Å; M186-L190 PolarHBondContact O-N 2.73Å
187L88Confident89.3Confident73 Ų7387 Ų8738%0.38246%0.459SS..Hα-helixtrans-61.6-38.9178.6-16766.7000112.7L177 D183 Q189 L190 S191L177-L187 HydrophobicContact CD1-CD1 4.47Å; L177-L187 HydrophobicContact CG-CD1 4.39Å; D183-L187 PolarHBondContact O-N 3.18Å; L187-Q189 VanDerWaalsContact C-N 3.31Å; L187-Q189 PolarHBondContact O-N 3.37Å; L187-L190 PolarHBondContact O-N 2.88Å; L187-S191 PolarHBondContact O-N 2.92Å
188D89.5Confident89.5Confident83 Ų8382.7 Ų82.744%0.44444%0.438SS..Hα-helixtrans-60.9-39.8172.4-177.368.8000111.6P184 Q185 M186 S191 K192P184-D188 PolarHBondContact O-N 3.18Å; P184-D188 VanDerWaalsContact O-N 3.09Å; Q185-D188 PolarHBondContact O-N 3.4Å; M186-D188 VanDerWaalsContact C-N 3.33Å; M186-D188 PolarHBondContact O-N 3.27Å; D188-S191 PolarHBondContact O-N 2.92Å; D188-S191 PolarHBondContact O-OG 2.87Å; D188-K192 WeakPolarHBondContact OD2-CE 3.47Å; D188-K192 IonicContact OD2-NZ 3.5Å; D188-K192 PolarHBondContact OD2-NZ 3Å
189Q87.7Confident89.7Confident115 Ų11579.5 Ų79.554%0.53741%0.41SS..Hα-helixtrans-65.4-40.9174.2-66.4-178.47.500112.2Q185 M186 L187 S191 K192Q185-Q189 PolarHBondContact O-N 3.35Å; M186-Q189 WeakPolarHBondContact O-CA 3.33Å; M186-Q189 WeakPolarHBondContact O-CB 3.16Å; M186-Q189 PolarHBondContact O-N 2.9Å; L187-Q189 VanDerWaalsContact C-N 3.31Å; L187-Q189 PolarHBondContact O-N 3.37Å; Q189-S191 PolarHBondContact O-N 3.35Å; Q189-K192 PolarHBondContact O-N 3.33Å
190L86.8Confident90Very high26 Ų2673.9 Ų73.914%0.13638%0.384CS..Hα-helixtrans-66.9-24.3178-58.9-162.7000113.1M136 I172 I176 M186 L187 K192M136-L190 HydrophobicContact CE-CD1 3.84Å; M136-L190 HydrophobicContact CE-CD2 3.1Å; M136-L190 HydrophobicContact CE-CG 4.01Å; M136-L190 HydrophobicContact SD-CD2 3.43Å; M136-L190 WeakPolarHBondContact SD-CD2 3.4Å; I172-L190 HydrophobicContact CD1-CB 4.13Å; I172-L190 VanDerWaalsContact CD1-O 3.23Å; I172-L190 WeakPolarHBondContact CD1-O 3.12Å; I176-L190 HydrophobicContact CG2-CD1 4.15Å; M186-L190 VanDerWaalsContact O-CG 3.3Å; M186-L190 WeakPolarHBondContact O-CG 3.31Å; M186-L190 PolarHBondContact O-N 2.73Å; L187-L190 PolarHBondContact O-N 2.88Å; L190-K192 PolarHBondContact O-N 3.37Å
191S87.7Confident90.3Very high85 Ų8575.7 Ų75.759%0.59440%0.395SS*.THydrogen-bonded Turntrans-73.8-16.1177.379.30000113.4L187 D188 Q189L187-S191 PolarHBondContact O-N 2.92Å; D188-S191 PolarHBondContact O-N 2.92Å; D188-S191 PolarHBondContact O-OG 2.87Å; Q189-S191 PolarHBondContact O-N 3.35Å
192K91.8Very high90.5Very high120 Ų12075.2 Ų75.252%0.52239%0.388SS..SBendtrans-88.9133.3-179.2-66.1169.1-170.3159.70109.9D188 Q189 L190D188-K192 WeakPolarHBondContact OD2-CE 3.47Å; D188-K192 IonicContact OD2-NZ 3.5Å; D188-K192 PolarHBondContact OD2-NZ 3Å; Q189-K192 PolarHBondContact O-N 3.33Å; L190-K192 PolarHBondContact O-N 3.37Å
193N90.8Very high90.8Very high104 Ų10466 Ų6656%0.55635%0.345SS*.  trans-63.3137.9174.6-72.8-10.4000111.1H168 E170H168-N193 PolarHBondContact NE2-ND2 3.48Å; E170-N193 WeakPolarHBondContact OE1-CB 3.25Å; E170-N193 WeakPolarHBondContact OE2-CA 3.4Å
194I90Very high91Very high78 Ų7863.4 Ų63.440%0.433%0.331SS..SBendtrans-83.3-21.3173.371179000111.7T138 V140 E170T138-I194 HydrophobicContact CG2-CD1 4.29Å; V140-I194 HydrophobicContact CG2-CD1 4.39Å; E170-I194 PolarHBondContact OE1-N 2.88Å; E170-I194 WeakPolarHBondContact OE2-CG1 3.47Å; E170-I194 PolarHBondContact OE2-N 2.97Å
195T92.6Very high91.2Very high6 Ų662.3 Ų62.34%0.03732%0.32CS..SBendtrans-112.7160-179.670.90000112.7V140 H168 E170 G198 L199V140-T195 HydrophobicContact CG1-CG2 4.17Å; V140-T195 HydrophobicContact CG2-CG2 4.01Å; H168-T195 PolarHBondContact CD2-OG1 3.2Å; E170-T195 WeakPolarHBondContact OE1-CB 3.36Å; E170-T195 PolarHBondContact OE1-N 3.27Å; E170-T195 PolarHBondContact OE1-OG1 3.42Å; T195-G198 VanDerWaalsContact OG1-CA 3.29Å; T195-G198 WeakPolarHBondContact OG1-CA 3.43Å; T195-G198 PolarHBondContact OG1-N 2.98Å; T195-L199 WeakPolarHBondContact CB-O 3.37Å
196R92.5Very high91.4Very high145 Ų14556.6 Ų56.655%0.54729%0.292SS..BIsolated β-bridgetrans-114.3118.4167.8-62.1-177.5-176.1-155.31.3108.4L74 G198 L199 L204L74-R196 HydrophobicContact CD2-CB 4.33Å; R196-G198 PolarHBondContact O-N 2.96Å; R196-L199 PolarHBondContact N-O 3.45Å; R196-L199 PolarHBondContact O-N 2.93Å; R196-L199 VanDerWaalsContact O-N 3.14Å; R196-L204 HydrophobicContact CB-CD1 3.8Å
197C92.5Very high91.6Very high22 Ų2253.6 Ų53.615%0.14928%0.278CS..THydrogen-bonded Turntrans55.633.4-171.5-53.70000113.3F72 C73 H168 L199F72-C197 HydrophobicContact CB-CB 4.12Å; F72-C197 HydrophobicContact CD2-CB 4.11Å; F72-C197 HydrophobicContact CG-CB 4.34Å; C73-C197 PolarHBondContact O-SG 3.3Å; H168-C197 WeakPolarHBondContact ND1-CA 3.36Å; C197-L199 PolarHBondContact O-N 3.04Å
198G91.6Very high91.8Very high5 Ų554.9 Ų54.95%0.05228%0.277CS..THydrogen-bonded Turntrans78.1-0.9-179.100000115.1V142 H168 T195 R196V142-G198 WeakPolarHBondContact CG2-O 3.36Å; H168-G198 PolarHBondContact CD2-N 3.19Å; H168-G198 PolarHBondContact ND1-N 3.47Å; T195-G198 VanDerWaalsContact OG1-CA 3.29Å; T195-G198 WeakPolarHBondContact OG1-CA 3.43Å; T195-G198 PolarHBondContact OG1-N 2.98Å; R196-G198 PolarHBondContact O-N 2.96Å
199L94.6Very high91.8Very high3 Ų355.9 Ų55.92%0.01628%0.282CS..BIsolated β-bridgetrans-103.5136.6177-58.8179.1000110.6I70 F72 I165 T195 R196 C197 T203 L204 L207I70-L199 HydrophobicContact CG2-CD1 4.14Å; F72-L199 HydrophobicContact CD1-CD1 4.06Å; F72-L199 HydrophobicContact CE1-CD1 3.73Å; F72-L199 HydrophobicContact CZ-CD1 4.18Å; I165-L199 HydrophobicContact CD1-CD1 4.07Å; I165-L199 HydrophobicContact CD1-CD2 4.27Å; I165-L199 HydrophobicContact CD1-CG 4.07Å; T195-L199 WeakPolarHBondContact CB-O 3.37Å; R196-L199 PolarHBondContact N-O 3.45Å; R196-L199 PolarHBondContact O-N 2.93Å; R196-L199 VanDerWaalsContact O-N 3.14Å; C197-L199 PolarHBondContact O-N 3.04Å; L199-T203 HydrophobicContact CD2-CG2 4.37Å; L199-L204 HydrophobicContact CB-CD1 4.45Å; L199-L204 HydrophobicContact CB-CD2 4.03Å; L199-L204 HydrophobicContact CB-CG 3.91Å; L199-L204 HydrophobicContact CD1-CD2 3.89Å; L199-L207 HydrophobicContact CD1-CD1 4.2Å
200S93.6Very high91.8Very high12 Ų1250.6 Ų50.68%0.08426%0.258CS..  trans-66.3158.1174.275.40000111S202 T203 L204S200-S202 PolarHBondContact O-N 3.41Å; S200-T203 PolarHBondContact O-N 2.79Å; S200-T203 PolarHBondContact OG-N 3.18Å; S200-T203 PolarHBondContact OG-OG1 3.1Å; S200-L204 PolarHBondContact O-N 3.29Å
201N92.9Very high91.6Very high85 Ų8553.1 Ų53.146%0.45527%0.274SS..Hα-helixtrans-59.5-35.5174.6-75-33.4000112L204 N205N201-L204 PolarHBondContact O-N 2.72Å; N201-N205 VanDerWaalsContact O-CB 3.3Å; N201-N205 WeakPolarHBondContact O-CB 3.27Å; N201-N205 PolarHBondContact O-N 3Å; N201-N205 PolarHBondContact O-ND2 3.18Å
202S93.1Very high91.2Very high51 Ų5153.6 Ų53.636%0.35727%0.269SS..Hα-helixtrans-58.2-51.1175.5-54.70000111.1E97 S200 N205 Y206E97-S202 PolarHBondContact O-OG 3.47Å; S200-S202 PolarHBondContact O-N 3.41Å; S202-N205 PolarHBondContact O-N 3.24Å; S202-Y206 WeakPolarHBondContact O-CB 3.34Å; S202-Y206 PolarHBondContact O-N 3.49Å
203T94.5Very high90.5Very high1 Ų150.6 Ų50.61%0.00626%0.258CS..Hα-helixtrans-65.2-42178.5-55.10000112.2Y91 S94 I95 L199 S200 Y206 L207Y91-T203 HydrophobicContact CD2-CG2 4.27Å; Y91-T203 HydrophobicContact CE2-CG2 3.94Å; S94-T203 PolarHBondContact O-OG1 2.84Å; S94-T203 WeakPolarHBondContact OG-CA 3.29Å; S94-T203 PolarHBondContact OG-OG1 2.89Å; I95-T203 HydrophobicContact CG1-CG2 4.48Å; L199-T203 HydrophobicContact CD2-CG2 4.37Å; S200-T203 PolarHBondContact O-N 2.79Å; S200-T203 PolarHBondContact OG-N 3.18Å; S200-T203 PolarHBondContact OG-OG1 3.1Å; T203-Y206 WeakPolarHBondContact O-CB 3.43Å; T203-Y206 PolarHBondContact O-N 3.44Å; T203-L207 HydrophobicContact CG2-CD1 4.25Å; T203-L207 WeakPolarHBondContact O-CG 3.24Å; T203-L207 PolarHBondContact O-N 3.02Å
204L93.7Very high89.6Confident2 Ų252.2 Ų52.21%0.0126%0.262CS..Hα-helixtrans-63.9-43.5177.9-74.6174.5000112.6F72 R196 L199 S200 N201 Y206 L207 R208F72-L204 HydrophobicContact CE1-CD2 4.23Å; F72-L204 HydrophobicContact CE2-CD2 3.71Å; F72-L204 HydrophobicContact CZ-CD2 3.33Å; R196-L204 HydrophobicContact CB-CD1 3.8Å; L199-L204 HydrophobicContact CB-CD1 4.45Å; L199-L204 HydrophobicContact CB-CD2 4.03Å; L199-L204 HydrophobicContact CB-CG 3.91Å; L199-L204 HydrophobicContact CD1-CD2 3.89Å; S200-L204 PolarHBondContact O-N 3.29Å; N201-L204 PolarHBondContact O-N 2.72Å; L204-Y206 VanDerWaalsContact C-N 3.33Å; L204-L207 PolarHBondContact O-N 3.29Å; L204-R208 VanDerWaalsContact O-CG 3.27Å; L204-R208 WeakPolarHBondContact O-CG 3.32Å; L204-R208 PolarHBondContact O-N 3.28Å
205N93.4Very high88.7Confident80 Ų8051.7 Ų51.743%0.42826%0.264SS..Hα-helixtrans-65.5-39.8176.9-71.4-23.8000111.1N201 S202 R208 L209N201-N205 VanDerWaalsContact O-CB 3.3Å; N201-N205 WeakPolarHBondContact O-CB 3.27Å; N201-N205 PolarHBondContact O-N 3Å; N201-N205 PolarHBondContact O-ND2 3.18Å; S202-N205 PolarHBondContact O-N 3.24Å; N205-R208 PolarHBondContact O-N 2.98Å; N205-R208 PolarHBondContact OD1-NH1 3.39Å; N205-L209 WeakPolarHBondContact O-CG 3.49Å; N205-L209 PolarHBondContact O-N 3.34Å
206Y94.4Very high88Confident29 Ų2955.2 Ų55.211%0.11428%0.281CS..Hα-helixtrans-59.2-48.6173.5175.4-104.6000112.3I83 L87 R90 Y91 S202 T203 L204 R208 L209 C210I83-Y206 HydrophobicContact CD1-CE1 4.44Å; L87-Y206 WeakPolarHBondContact CA-OH 3.26Å; L87-Y206 VanDerWaalsContact CB-OH 3.27Å; L87-Y206 WeakPolarHBondContact CB-OH 3.34Å; L87-Y206 PolarHBondContact O-OH 3.5Å; R90-Y206 HydrophobicContact CB-CE1 4.35Å; R90-Y206 HydrophobicContact CB-CE2 3.64Å; R90-Y206 WeakPolarHBondContact CB-OH 3.34Å; Y91-Y206 VanDerWaalsContact CA-CE1 3.49Å; S202-Y206 WeakPolarHBondContact O-CB 3.34Å; S202-Y206 PolarHBondContact O-N 3.49Å; T203-Y206 WeakPolarHBondContact O-CB 3.43Å; T203-Y206 PolarHBondContact O-N 3.44Å; L204-Y206 VanDerWaalsContact C-N 3.33Å; Y206-R208 VanDerWaalsContact C-N 3.33Å; Y206-R208 PolarHBondContact O-N 3.17Å; Y206-L209 WeakPolarHBondContact O-CB 3.34Å; Y206-L209 PolarHBondContact O-N 3.4Å; Y206-L209 VanDerWaalsContact O-N 3.17Å; Y206-C210 VanDerWaalsContact CE1-SG 3.55Å; Y206-C210 PolarHBondContact O-N 3.31Å; Y206-C210 PolarHBondContact O-SG 2.68Å; Y206-C210 PolarHBondContact OH-SG 3.43Å
207L92.6Very high87.5Confident1 Ų153.2 Ų53.21%0.00528%0.278CS..Hα-helixtrans-61.2-40.1177.6-71.3172.5000112.2F72 Y81 I83 Y91 L199 T203 L204 L209 C210 V211F72-L207 HydrophobicContact CE1-CD1 4.46Å; Y81-L207 HydrophobicContact CD1-CB 3.92Å; Y81-L207 WeakPolarHBondContact CD1-O 3.41Å; Y81-L207 HydrophobicContact CD2-CB 4.23Å; Y81-L207 HydrophobicContact CD2-CD1 4.34Å; Y81-L207 HydrophobicContact CE1-CB 4.38Å; Y81-L207 HydrophobicContact CG-CB 3.85Å; Y81-L207 HydrophobicContact CG-CD1 4.47Å; I83-L207 HydrophobicContact CG2-CD2 4.45Å; Y91-L207 HydrophobicContact CD2-CD2 4.07Å; Y91-L207 HydrophobicContact CE2-CD2 4.41Å; L199-L207 HydrophobicContact CD1-CD1 4.2Å; T203-L207 HydrophobicContact CG2-CD1 4.25Å; T203-L207 WeakPolarHBondContact O-CG 3.24Å; T203-L207 PolarHBondContact O-N 3.02Å; L204-L207 PolarHBondContact O-N 3.29Å; L207-L209 PolarHBondContact O-N 3.5Å; L207-C210 PolarHBondContact O-N 3.16Å; L207-V211 PolarHBondContact O-N 2.97Å
208R91.4Very high87Confident100 Ų10054.7 Ų54.738%0.37728%0.283SS..Hα-helixtrans-61.5-41.9174.3-72.1166178.3169.3-4.6112.3Y81 L204 N205 Y206 C210 V211Y81-R208 HydrophobicContact CE1-CG 4.3Å; L204-R208 VanDerWaalsContact O-CG 3.27Å; L204-R208 WeakPolarHBondContact O-CG 3.32Å; L204-R208 PolarHBondContact O-N 3.28Å; N205-R208 PolarHBondContact O-N 2.98Å; N205-R208 PolarHBondContact OD1-NH1 3.39Å; Y206-R208 VanDerWaalsContact C-N 3.33Å; Y206-R208 PolarHBondContact O-N 3.17Å; R208-C210 VanDerWaalsContact C-N 3.35Å; R208-V211 PolarHBondContact O-N 3.47Å
209L89.3Confident86.7Confident103 Ų10356 Ų5654%0.53929%0.289SS..Hα-helixtrans-64.7-39.3176.4-72.1169.3000111.6N205 Y206 L207 V211 I212 L213N205-L209 WeakPolarHBondContact O-CG 3.49Å; N205-L209 PolarHBondContact O-N 3.34Å; Y206-L209 WeakPolarHBondContact O-CB 3.34Å; Y206-L209 PolarHBondContact O-N 3.4Å; Y206-L209 VanDerWaalsContact O-N 3.17Å; L207-L209 PolarHBondContact O-N 3.5Å; L209-V211 VanDerWaalsContact C-N 3.28Å; L209-V211 PolarHBondContact O-N 2.94Å; L209-I212 PolarHBondContact O-N 3.06Å; L209-L213 WeakPolarHBondContact O-CG 3.25Å; L209-L213 PolarHBondContact O-N 2.68Å
210C88Confident86.2Confident5 Ų560.4 Ų60.43%0.03431%0.31CS..Hα-helixtrans-60-36-179.4-670000113.3I83 L87 Y206 L207 R208 I212 L213I83-C210 HydrophobicContact CG2-CB 3.55Å; L87-C210 HydrophobicContact CD1-CB 4.04Å; Y206-C210 VanDerWaalsContact CE1-SG 3.55Å; Y206-C210 PolarHBondContact O-N 3.31Å; Y206-C210 PolarHBondContact O-SG 2.68Å; Y206-C210 PolarHBondContact OH-SG 3.43Å; L207-C210 PolarHBondContact O-N 3.16Å; R208-C210 VanDerWaalsContact C-N 3.35Å; C210-I212 PolarHBondContact O-N 3.37Å; C210-L213 PolarHBondContact O-N 3.06Å
211V82.8Confident85.8Confident78 Ų7862.7 Ų62.747%0.47333%0.326SS..Hα-helixtrans-62.6-31.9175.7177.70000112Y81 L207 R208 L209 P215Y81-V211 HydrophobicContact CD1-CG2 3.41Å; Y81-V211 VanDerWaalsContact CD1-CG2 3.41Å; Y81-V211 HydrophobicContact CE1-CG2 3.67Å; L207-V211 PolarHBondContact O-N 2.97Å; R208-V211 PolarHBondContact O-N 3.47Å; L209-V211 VanDerWaalsContact C-N 3.28Å; L209-V211 PolarHBondContact O-N 2.94Å; V211-P215 WeakPolarHBondContact O-CD 3.39Å
212I80Confident85.4Confident96 Ų9660.2 Ų60.249%0.49231%0.311SS..Hα-helixtrans-85-31.3-179.7-57.6171.3000110.6L209 C210 E214 P215 M216L209-I212 PolarHBondContact O-N 3.06Å; C210-I212 PolarHBondContact O-N 3.37Å; I212-E214 VanDerWaalsContact C-N 3.33Å; I212-E214 PolarHBondContact O-N 3.27Å; I212-P215 WeakPolarHBondContact O-CD 3.44Å; I212-P215 VanDerWaalsContact O-CG 3.25Å; I212-P215 WeakPolarHBondContact O-CG 3.28Å; I212-M216 HydrophobicContact CG2-CG 4.2Å; I212-M216 HydrophobicContact CG2-SD 3.95Å; I212-M216 VanDerWaalsContact O-CG 3.28Å; I212-M216 WeakPolarHBondContact O-CG 3.38Å; I212-M216 PolarHBondContact O-N 3.31Å
213L76.2Confident85.1Confident56 Ų5661.8 Ų61.829%0.29331%0.312SS..Hα-helixtrans-66.2-33.2-176.2-74.4172.2000113L209 C210 M216 Q217L209-L213 WeakPolarHBondContact O-CG 3.25Å; L209-L213 PolarHBondContact O-N 2.68Å; C210-L213 PolarHBondContact O-N 3.06Å; L213-M216 CarbonylContact O-C 3.59Å; L213-M216 WeakPolarHBondContact O-CA 3.32Å; L213-M216 WeakPolarHBondContact O-CB 3.21Å; L213-M216 PolarHBondContact O-N 3.39Å; L213-Q217 WeakPolarHBondContact O-CG 3.45Å; L213-Q217 PolarHBondContact O-N 3.25Å
214E71.1Confident84.9Confident138 Ų13870.6 Ų70.665%0.64535%0.35SS*.Hα-helixtrans-59-56.2178.6-174.9174.4-171.300113I212 M216 Q217I212-E214 VanDerWaalsContact C-N 3.33Å; I212-E214 PolarHBondContact O-N 3.27Å; E214-M216 PolarHBondContact O-N 3.32Å; E214-Q217 WeakPolarHBondContact O-CB 3.08Å; E214-Q217 PolarHBondContact O-N 3.01Å
215P72.3Confident84.7Confident68 Ų6875.1 Ų75.144%0.44238%0.378SS..Hα-helixtrans-65.4-26173.725.3-33.7000112.7V211 I212 Q217 E218V211-P215 WeakPolarHBondContact O-CD 3.39Å; I212-P215 WeakPolarHBondContact O-CD 3.44Å; I212-P215 VanDerWaalsContact O-CG 3.25Å; I212-P215 WeakPolarHBondContact O-CG 3.28Å; P215-Q217 VanDerWaalsContact C-N 3.27Å; P215-Q217 PolarHBondContact O-N 3.06Å; P215-E218 PolarHBondContact O-N 2.93Å
216M78.1Confident84.4Confident79 Ų7978.6 Ų78.639%0.38939%0.386SS..Hα-helixtrans-68.4-23.2173.4-72.8-169.276.100113.1I212 L213 E214 E218 L219 M220I212-M216 HydrophobicContact CG2-CG 4.2Å; I212-M216 HydrophobicContact CG2-SD 3.95Å; I212-M216 VanDerWaalsContact O-CG 3.28Å; I212-M216 WeakPolarHBondContact O-CG 3.38Å; I212-M216 PolarHBondContact O-N 3.31Å; L213-M216 CarbonylContact O-C 3.59Å; L213-M216 WeakPolarHBondContact O-CA 3.32Å; L213-M216 WeakPolarHBondContact O-CB 3.21Å; L213-M216 PolarHBondContact O-N 3.39Å; E214-M216 PolarHBondContact O-N 3.32Å; M216-E218 VanDerWaalsContact C-N 3.31Å; M216-E218 PolarHBondContact O-N 3.02Å; M216-L219 CarbonylContact O-C 3.53Å; M216-L219 WeakPolarHBondContact O-CA 3.44Å; M216-L219 WeakPolarHBondContact O-CB 3.49Å; M216-L219 PolarHBondContact O-N 2.99Å; M216-M220 HydrophobicContact CB-CE 4.31Å; M216-M220 WeakPolarHBondContact O-CB 3.34Å; M216-M220 WeakPolarHBondContact O-CG 3.49Å; M216-M220 PolarHBondContact O-N 3.06Å
217Q80.9Confident84.1Confident104 Ų10482.3 Ų82.349%0.48642%0.417SS..Hα-helixtrans-62.9-37.7176.1-71.9175.69.100112.3L213 E214 P215 L219 M220 S221L213-Q217 WeakPolarHBondContact O-CG 3.45Å; L213-Q217 PolarHBondContact O-N 3.25Å; E214-Q217 WeakPolarHBondContact O-CB 3.08Å; E214-Q217 PolarHBondContact O-N 3.01Å; P215-Q217 VanDerWaalsContact C-N 3.27Å; P215-Q217 PolarHBondContact O-N 3.06Å; Q217-L219 VanDerWaalsContact C-N 3.27Å; Q217-L219 PolarHBondContact O-N 2.95Å; Q217-M220 HydrophobicContact CB-CE 4.45Å; Q217-M220 HydrophobicContact CG-CE 3.95Å; Q217-M220 PolarHBondContact O-N 3.25Å; Q217-S221 WeakPolarHBondContact O-CB 3.42Å; Q217-S221 PolarHBondContact O-N 3.43Å; Q217-S221 PolarHBondContact O-OG 3.18Å
218E83.3Confident83.9Confident53 Ų5385.6 Ų85.625%0.24843%0.434CS..Hα-helixtrans-63-36.1172.5-171.1-176.1176.400111.3P215 M216 S221 R222 K241P215-E218 PolarHBondContact O-N 2.93Å; M216-E218 VanDerWaalsContact C-N 3.31Å; M216-E218 PolarHBondContact O-N 3.02Å; E218-S221 PolarHBondContact O-OG 2.78Å; E218-R222 VanDerWaalsContact O-CG 3.31Å; E218-R222 WeakPolarHBondContact O-CG 3.43Å; E218-R222 PolarHBondContact O-N 3.03Å; E218-R222 IonicContact OE1-CZ 3.68Å; E218-R222 IonicContact OE1-NE 3.75Å; E218-R222 IonicContact OE1-NH2 2.86Å; E218-R222 PolarHBondContact OE1-NH2 3.37Å; E218-K241 WeakPolarHBondContact OE2-CE 3.39Å; E218-K241 IonicContact OE2-NZ 2.66Å; E218-K241 PolarHBondContact OE2-NZ 2.84Å
219L84.6Confident83.8Confident32 Ų3283.2 Ų83.217%0.16843%0.433CS..Hα-helixtrans-72.5-43.8177.6-60176.2000111.6M216 Q217 R222 H223 C233 L234 C237M216-L219 CarbonylContact O-C 3.53Å; M216-L219 WeakPolarHBondContact O-CA 3.44Å; M216-L219 WeakPolarHBondContact O-CB 3.49Å; M216-L219 PolarHBondContact O-N 2.99Å; Q217-L219 VanDerWaalsContact C-N 3.27Å; Q217-L219 PolarHBondContact O-N 2.95Å; L219-R222 PolarHBondContact O-N 2.85Å; L219-H223 WeakPolarHBondContact O-CB 3.38Å; L219-H223 PolarHBondContact O-N 2.98Å; L219-C233 HydrophobicContact CD2-CB 4.2Å; L219-C233 WeakPolarHBondContact CD2-O 3.31Å; L219-L234 HydrophobicContact CD1-CB 4.42Å; L219-L234 HydrophobicContact CD1-CD1 3.9Å; L219-L234 HydrophobicContact CD2-CB 4.2Å; L219-L234 HydrophobicContact CD2-CD1 4.27Å; L219-C237 HydrophobicContact CD2-CB 3.79Å; L219-C237 VanDerWaalsContact CD2-SG 3.53Å
220M83.4Confident83.7Confident95 Ų9582.6 Ų82.647%0.46843%0.434SS..Hα-helixtrans-64.6-40.4178.6-72.1-173.2-72.400111.6M216 Q217 R222 H223 K224M216-M220 HydrophobicContact CB-CE 4.31Å; M216-M220 WeakPolarHBondContact O-CB 3.34Å; M216-M220 WeakPolarHBondContact O-CG 3.49Å; M216-M220 PolarHBondContact O-N 3.06Å; Q217-M220 HydrophobicContact CB-CE 4.45Å; Q217-M220 HydrophobicContact CG-CE 3.95Å; Q217-M220 PolarHBondContact O-N 3.25Å; M220-R222 PolarHBondContact O-N 2.88Å; M220-H223 PolarHBondContact O-N 3.33Å; M220-K224 WeakPolarHBondContact O-CB 3.32Å; M220-K224 PolarHBondContact O-N 3.42Å
221S86.4Confident83.7Confident61 Ų6192.1 Ų92.143%0.42747%0.47SS..Hα-helixtrans-63.6-41.7176.669.20000111.7Q217 E218 K224 T225Q217-S221 WeakPolarHBondContact O-CB 3.42Å; Q217-S221 PolarHBondContact O-N 3.43Å; Q217-S221 PolarHBondContact O-OG 3.18Å; E218-S221 PolarHBondContact O-OG 2.78Å; S221-K224 PolarHBondContact O-N 2.97Å; S221-T225 WeakPolarHBondContact O-CB 3.49Å; S221-T225 PolarHBondContact O-N 3.28Å; S221-T225 PolarHBondContact O-OG1 3.43Å
222R83.4Confident84Confident33 Ų3391.5 Ų91.513%0.12546%0.464CS..Hα-helixtrans-67.6-42.2175.5-71.3-178.6-170.7-139.511.2112.6E218 L219 M220 K224 T225 Y226 C233 C237 Q240E218-R222 VanDerWaalsContact O-CG 3.31Å; E218-R222 WeakPolarHBondContact O-CG 3.43Å; E218-R222 PolarHBondContact O-N 3.03Å; E218-R222 IonicContact OE1-CZ 3.68Å; E218-R222 IonicContact OE1-NE 3.75Å; E218-R222 IonicContact OE1-NH2 2.86Å; E218-R222 PolarHBondContact OE1-NH2 3.37Å; L219-R222 PolarHBondContact O-N 2.85Å; M220-R222 PolarHBondContact O-N 2.88Å; R222-K224 VanDerWaalsContact C-N 3.27Å; R222-K224 PolarHBondContact O-N 2.82Å; R222-T225 PolarHBondContact O-N 2.94Å; R222-Y226 HydrophobicContact CB-CD2 4.06Å; R222-Y226 HydrophobicContact CB-CE2 4.42Å; R222-Y226 HydrophobicContact CG-CD2 4.33Å; R222-Y226 HydrophobicContact CG-CE2 4.19Å; R222-Y226 WeakPolarHBondContact O-CB 3.36Å; R222-Y226 WeakPolarHBondContact O-CD2 3.41Å; R222-Y226 PolarHBondContact O-N 2.78Å; R222-C233 HydrophobicContact CB-CB 4.47Å; R222-C237 WeakPolarHBondContact CD-SG 3.35Å; R222-C237 PolarHBondContact NE-SG 3.31Å; R222-Q240 VanDerWaalsContact CZ-OE1 3.27Å; R222-Q240 VanDerWaalsContact NH1-CD 3.33Å
223H87.8Confident84.5Confident84 Ų8487 Ų8739%0.38944%0.441SS..Hα-helixtrans-56.2-46.2173.817969.6000110.6L219 M220 S227 L228 C233L219-H223 WeakPolarHBondContact O-CB 3.38Å; L219-H223 PolarHBondContact O-N 2.98Å; M220-H223 PolarHBondContact O-N 3.33Å; H223-S227 WeakPolarHBondContact O-CA 3.5Å; H223-S227 PolarHBondContact O-N 3.41Å; H223-L228 PolarHBondContact CE1-O 3.47Å; H223-L228 PolarHBondContact ND1-O 3.31Å; H223-C233 VanDerWaalsContact CA-SG 3.58Å; H223-C233 PolarHBondContact N-SG 2.91Å
224K89.4Confident85.1Confident185 Ų18588.2 Ų88.280%0.80445%0.447SS*.Hα-helixtrans-68.5-33.3178.9-166.9173.4-176.4178.50113.6M220 S221 R222M220-K224 WeakPolarHBondContact O-CB 3.32Å; M220-K224 PolarHBondContact O-N 3.42Å; S221-K224 PolarHBondContact O-N 2.97Å; R222-K224 VanDerWaalsContact C-N 3.27Å; R222-K224 PolarHBondContact O-N 2.82Å
225T89.1Confident86Confident97 Ų9788.3 Ų88.360%0.59545%0.445SS*.Hα-helixtrans-82.4-40.8-176.8-54.40000112.3S221 R222S221-T225 WeakPolarHBondContact O-CB 3.49Å; S221-T225 PolarHBondContact O-N 3.28Å; S221-T225 PolarHBondContact O-OG1 3.43Å; R222-T225 PolarHBondContact O-N 2.94Å
226Y88.3Confident86.8Confident154 Ų15487.6 Ų87.660%0.60444%0.44SS*.Hα-helixtrans-110.1-3.7-170.7-56.5-66.4000113.6R222 L228R222-Y226 HydrophobicContact CB-CD2 4.06Å; R222-Y226 HydrophobicContact CB-CE2 4.42Å; R222-Y226 HydrophobicContact CG-CD2 4.33Å; R222-Y226 HydrophobicContact CG-CE2 4.19Å; R222-Y226 WeakPolarHBondContact O-CB 3.36Å; R222-Y226 WeakPolarHBondContact O-CD2 3.41Å; R222-Y226 PolarHBondContact O-N 2.78Å; Y226-L228 PolarHBondContact O-N 2.8Å
227S88.4Confident87.2Confident107 Ų10784 Ų8475%0.74842%0.423SS*.  trans53.127.9-177.7-57.20000113.9H223H223-S227 WeakPolarHBondContact O-CA 3.5Å; H223-S227 PolarHBondContact O-N 3.41Å
228L87.8Confident87.5Confident70 Ų7084 Ų8437%0.36643%0.426SS..  trans-80154.5179.2-67.6173.2000110.7H223 Y226 D232H223-L228 PolarHBondContact CE1-O 3.47Å; H223-L228 PolarHBondContact ND1-O 3.31Å; Y226-L228 PolarHBondContact O-N 2.8Å; L228-D232 HydrophobicContact CB-CB 4.45Å
229S89.4Confident87.8Confident50 Ų5086.9 Ų86.935%0.3544%0.437SS..  trans-59.7148.9173.485.20000111R231 D232 C233S229-R231 PolarHBondContact O-N 3.06Å; S229-R231 VanDerWaalsContact O-N 3.16Å; S229-D232 WeakPolarHBondContact CB-OD2 3.44Å; S229-D232 PolarHBondContact O-N 2.92Å; S229-D232 PolarHBondContact OG-N 3.09Å; S229-D232 VanDerWaalsContact OG-N 3.17Å; S229-D232 PolarHBondContact OG-OD2 3.12Å; S229-C233 PolarHBondContact O-N 3.45Å; S229-C233 PolarHBondContact O-SG 2.86Å; S229-C233 VanDerWaalsContact O-SG 3.35Å
230P86.3Confident87.9Confident89 Ų8988.4 Ų88.458%0.57844%0.443SS*.Hα-helixtrans-55.8-32.5177.2-28.335.8000113.5L234P230-L234 PolarHBondContact O-N 2.9Å; P230-L234 VanDerWaalsContact O-N 3.15Å
231R88.3Confident88Confident206 Ų20687.7 Ų87.778%0.77744%0.438SS*.Hα-helixtrans-66.8-39.7174.8-73.2-171.9177.6-162.10112.1S229 L234 K235S229-R231 PolarHBondContact O-N 3.06Å; S229-R231 VanDerWaalsContact O-N 3.16Å; R231-L234 PolarHBondContact O-N 2.9Å; R231-K235 WeakPolarHBondContact O-CG 3.16Å; R231-K235 PolarHBondContact O-N 3.37Å
232D89.8Confident88.2Confident65 Ų6591.5 Ų91.535%0.34844%0.443SS..Hα-helixtrans-73.2-37.1178.9-60.5-40.3000111.5L228 S229 L234 K235 T236L228-D232 HydrophobicContact CB-CB 4.45Å; S229-D232 WeakPolarHBondContact CB-OD2 3.44Å; S229-D232 PolarHBondContact O-N 2.92Å; S229-D232 PolarHBondContact OG-N 3.09Å; S229-D232 VanDerWaalsContact OG-N 3.17Å; S229-D232 PolarHBondContact OG-OD2 3.12Å; D232-L234 PolarHBondContact O-N 3.03Å; D232-K235 PolarHBondContact O-N 3.06Å; D232-T236 PolarHBondContact O-N 3.46Å; D232-T236 PolarHBondContact O-OG1 2.84Å; D232-T236 VanDerWaalsContact O-OG1 3.07Å
233C89.4Confident88.5Confident1 Ų194.4 Ų94.41%0.00746%0.458CS..Hα-helixtrans-55.2-44.1170.8-64.30000111.2L219 R222 H223 S229 C237L219-C233 HydrophobicContact CD2-CB 4.2Å; L219-C233 WeakPolarHBondContact CD2-O 3.31Å; R222-C233 HydrophobicContact CB-CB 4.47Å; H223-C233 VanDerWaalsContact CA-SG 3.58Å; H223-C233 PolarHBondContact N-SG 2.91Å; S229-C233 PolarHBondContact O-N 3.45Å; S229-C233 PolarHBondContact O-SG 2.86Å; S229-C233 VanDerWaalsContact O-SG 3.35Å; C233-C237 VanDerWaalsContact O-CB 3.32Å; C233-C237 WeakPolarHBondContact O-CB 3.46Å; C233-C237 PolarHBondContact O-N 3.34Å; C233-C237 PolarHBondContact O-SG 2.94Å
234L89.6Confident88.4Confident82 Ų8297.8 Ų97.843%0.42947%0.467SS..Hα-helixtrans-63.5-49.3177-179.564.8000111.6L219 P230 R231 D232 T236 C237 L238L219-L234 HydrophobicContact CD1-CB 4.42Å; L219-L234 HydrophobicContact CD1-CD1 3.9Å; L219-L234 HydrophobicContact CD2-CB 4.2Å; L219-L234 HydrophobicContact CD2-CD1 4.27Å; P230-L234 PolarHBondContact O-N 2.9Å; P230-L234 VanDerWaalsContact O-N 3.15Å; R231-L234 PolarHBondContact O-N 2.9Å; D232-L234 PolarHBondContact O-N 3.03Å; L234-T236 PolarHBondContact O-N 3.09Å; L234-C237 PolarHBondContact O-N 3.28Å; L234-L238 HydrophobicContact CD1-CD1 3.86Å; L234-L238 HydrophobicContact CD1-CD2 4.49Å; L234-L238 HydrophobicContact CD1-CG 3.95Å; L234-L238 HydrophobicContact CG-CD1 3.84Å; L234-L238 HydrophobicContact CG-CG 4.31Å; L234-L238 WeakPolarHBondContact O-CB 3.48Å; L234-L238 VanDerWaalsContact O-CG 3.3Å; L234-L238 WeakPolarHBondContact O-CG 3.3Å; L234-L238 PolarHBondContact O-N 3.5Å
235K90.9Very high88Confident139 Ų13996.1 Ų96.160%0.60446%0.464SS*.Hα-helixtrans-55.7-49.4177.4-74.1176.8-178.81740111.5R231 D232 L238 F239R231-K235 WeakPolarHBondContact O-CG 3.16Å; R231-K235 PolarHBondContact O-N 3.37Å; D232-K235 PolarHBondContact O-N 3.06Å; K235-L238 PolarHBondContact O-N 2.91Å; K235-F239 VanDerWaalsContact O-CB 3.27Å; K235-F239 WeakPolarHBondContact O-CB 3.43Å; K235-F239 PolarHBondContact O-N 2.9Å
236T87.4Confident87.7Confident54 Ų5495.6 Ų95.633%0.33146%0.461SS..Hα-helixtrans-66-40.5-179.3-52.30000112D232 L234 Q240D232-T236 PolarHBondContact O-N 3.46Å; D232-T236 PolarHBondContact O-OG1 2.84Å; D232-T236 VanDerWaalsContact O-OG1 3.07Å; L234-T236 PolarHBondContact O-N 3.09Å; T236-Q240 HydrophobicContact CG2-CG 4.49Å; T236-Q240 WeakPolarHBondContact O-CB 3.45Å; T236-Q240 VanDerWaalsContact O-CG 3.3Å; T236-Q240 WeakPolarHBondContact O-CG 3.36Å; T236-Q240 PolarHBondContact O-N 3.41Å
237C87Confident87.1Confident4 Ų490.9 Ų90.93%0.02745%0.454CS..Hα-helixtrans-60.7-50.4174.7-86.20000112.2L219 R222 C233 L234 F239 Q240 K241L219-C237 HydrophobicContact CD2-CB 3.79Å; L219-C237 VanDerWaalsContact CD2-SG 3.53Å; R222-C237 WeakPolarHBondContact CD-SG 3.35Å; R222-C237 PolarHBondContact NE-SG 3.31Å; C233-C237 VanDerWaalsContact O-CB 3.32Å; C233-C237 WeakPolarHBondContact O-CB 3.46Å; C233-C237 PolarHBondContact O-N 3.34Å; C233-C237 PolarHBondContact O-SG 2.94Å; L234-C237 PolarHBondContact O-N 3.28Å; C237-F239 VanDerWaalsContact C-N 3.35Å; C237-Q240 PolarHBondContact O-N 2.85Å; C237-K241 WeakPolarHBondContact O-CB 3.3Å; C237-K241 WeakPolarHBondContact O-CG 3.41Å; C237-K241 PolarHBondContact O-N 3.3Å
238L87.8Confident85.9Confident104 Ų10491.1 Ų91.155%0.54545%0.453SS..Hα-helixtrans-62.3-44.7-179.9-70.2175.9000110.9L234 K235 Q240 K241 W242L234-L238 HydrophobicContact CD1-CD1 3.86Å; L234-L238 HydrophobicContact CD1-CD2 4.49Å; L234-L238 HydrophobicContact CD1-CG 3.95Å; L234-L238 HydrophobicContact CG-CD1 3.84Å; L234-L238 HydrophobicContact CG-CG 4.31Å; L234-L238 WeakPolarHBondContact O-CB 3.48Å; L234-L238 VanDerWaalsContact O-CG 3.3Å; L234-L238 WeakPolarHBondContact O-CG 3.3Å; L234-L238 PolarHBondContact O-N 3.5Å; K235-L238 PolarHBondContact O-N 2.91Å; L238-Q240 PolarHBondContact O-N 3.44Å; L238-K241 PolarHBondContact O-N 3.42Å; L238-W242 VanDerWaalsContact O-CB 3.32Å; L238-W242 WeakPolarHBondContact O-CB 3.32Å; L238-W242 PolarHBondContact O-N 2.71Å
239F89.8Confident84.6Confident113 Ų11393.7 Ų93.750%0.49647%0.473SS..Hα-helixtrans-62.4-44.5178.6-172.3-109.2000112.2K235 C237 W242 Q243K235-F239 VanDerWaalsContact O-CB 3.27Å; K235-F239 WeakPolarHBondContact O-CB 3.43Å; K235-F239 PolarHBondContact O-N 2.9Å; C237-F239 VanDerWaalsContact C-N 3.35Å; F239-W242 HydrophobicContact CD2-CE3 4.25Å; F239-W242 HydrophobicContact CE2-CE3 4.09Å; F239-W242 HydrophobicContact CE2-CZ3 4.08Å; F239-W242 PolarHBondContact O-N 2.95Å; F239-Q243 HydrophobicContact CD1-CG 4.28Å; F239-Q243 HydrophobicContact CE1-CG 4Å; F239-Q243 HydrophobicContact CZ-CG 4.12Å; F239-Q243 WeakPolarHBondContact O-CB 3.38Å; F239-Q243 WeakPolarHBondContact O-CG 3.35Å; F239-Q243 PolarHBondContact O-N 2.83Å
240Q86.1Confident83.1Confident63 Ų6396 Ų9629%0.29450%0.495SS..Hα-helixtrans-65.8-39.4176.3-74.3178.72.100112.8R222 T236 C237 L238 W242 Q243 R244R222-Q240 VanDerWaalsContact CZ-OE1 3.27Å; R222-Q240 VanDerWaalsContact NH1-CD 3.33Å; T236-Q240 HydrophobicContact CG2-CG 4.49Å; T236-Q240 WeakPolarHBondContact O-CB 3.45Å; T236-Q240 VanDerWaalsContact O-CG 3.3Å; T236-Q240 WeakPolarHBondContact O-CG 3.36Å; T236-Q240 PolarHBondContact O-N 3.41Å; C237-Q240 PolarHBondContact O-N 2.85Å; L238-Q240 PolarHBondContact O-N 3.44Å; Q240-W242 VanDerWaalsContact C-N 3.34Å; Q240-Q243 PolarHBondContact O-N 2.85Å; Q240-R244 WeakPolarHBondContact O-CG 3.47Å; Q240-R244 PolarHBondContact O-N 3.24Å
241K86.6Confident81.4Confident80 Ų80100.2 Ų100.235%0.34851%0.507SS..Hα-helixtrans-64.3-42175.3-76.9-177.1-178.9177.10110.9E218 C237 L238 R244 M245E218-K241 WeakPolarHBondContact OE2-CE 3.39Å; E218-K241 IonicContact OE2-NZ 2.66Å; E218-K241 PolarHBondContact OE2-NZ 2.84Å; C237-K241 WeakPolarHBondContact O-CB 3.3Å; C237-K241 WeakPolarHBondContact O-CG 3.41Å; C237-K241 PolarHBondContact O-N 3.3Å; L238-K241 PolarHBondContact O-N 3.42Å; K241-R244 PolarHBondContact O-N 3.4Å; K241-M245 HydrophobicContact CB-CE 4.34Å; K241-M245 WeakPolarHBondContact O-CE 3.29Å; K241-M245 PolarHBondContact O-N 3.5Å; K241-M245 VanDerWaalsContact O-N 3.09Å
242W90.4Very high79.5Confident141 Ų14196.1 Ų96.153%0.53451%0.508SS..Hα-helixtrans-62.1-48.2174.4177.882.3000111.8L238 F239 Q240 R244 M245 V246L238-W242 VanDerWaalsContact O-CB 3.32Å; L238-W242 WeakPolarHBondContact O-CB 3.32Å; L238-W242 PolarHBondContact O-N 2.71Å; F239-W242 HydrophobicContact CD2-CE3 4.25Å; F239-W242 HydrophobicContact CE2-CE3 4.09Å; F239-W242 HydrophobicContact CE2-CZ3 4.08Å; F239-W242 PolarHBondContact O-N 2.95Å; Q240-W242 VanDerWaalsContact C-N 3.34Å; W242-R244 VanDerWaalsContact C-N 3.27Å; W242-R244 PolarHBondContact O-N 3.36Å; W242-M245 PolarHBondContact O-N 2.92Å; W242-V246 HydrophobicContact CD2-CG2 4.13Å; W242-V246 HydrophobicContact CG-CG2 4.32Å; W242-V246 HydrophobicContact CZ2-CB 4.42Å; W242-V246 HydrophobicContact CZ2-CG1 4.32Å; W242-V246 HydrophobicContact CZ2-CG2 3.98Å; W242-V246 WeakPolarHBondContact O-CG2 3.27Å; W242-V246 PolarHBondContact O-N 3.38Å
243Q88.3Confident77.5Confident94 Ų9497.6 Ų97.644%0.43953%0.529SS..Hα-helixtrans-57.1-40176.5-76.7-177.9-45.800112.3F239 Q240 A247F239-Q243 HydrophobicContact CD1-CG 4.28Å; F239-Q243 HydrophobicContact CE1-CG 4Å; F239-Q243 HydrophobicContact CZ-CG 4.12Å; F239-Q243 WeakPolarHBondContact O-CB 3.38Å; F239-Q243 WeakPolarHBondContact O-CG 3.35Å; F239-Q243 PolarHBondContact O-N 2.83Å; Q240-Q243 PolarHBondContact O-N 2.85Å; Q243-A247 WeakPolarHBondContact O-CB 3.14Å; Q243-A247 PolarHBondContact O-N 2.94Å
244R86.1Confident75.6Confident155 Ų155109 Ų10959%0.58557%0.572SS**Hα-helixtrans-68.2-33.2176.1-70.7179.4-135.2156.91.7113.3Q240 K241 W242Q240-R244 WeakPolarHBondContact O-CG 3.47Å; Q240-R244 PolarHBondContact O-N 3.24Å; K241-R244 PolarHBondContact O-N 3.4Å; W242-R244 VanDerWaalsContact C-N 3.27Å; W242-R244 PolarHBondContact O-N 3.36Å
245M81.6Confident73.5Confident151 Ų151113.9 Ų113.974%0.74459%0.592SS**Hα-helixtrans-76.8-32.8177.7-78.3-174-80.800112.8K241 W242K241-M245 HydrophobicContact CB-CE 4.34Å; K241-M245 WeakPolarHBondContact O-CE 3.29Å; K241-M245 PolarHBondContact O-N 3.5Å; K241-M245 VanDerWaalsContact O-N 3.09Å; W242-M245 PolarHBondContact O-N 2.92Å
246V83.3Confident71.2Confident86 Ų86115.9 Ų115.952%0.52160%0.604SS.*Hα-helixtrans-91.4-16.1-178.9-179.40000112.2W242W242-V246 HydrophobicContact CD2-CG2 4.13Å; W242-V246 HydrophobicContact CG-CG2 4.32Å; W242-V246 HydrophobicContact CZ2-CB 4.42Å; W242-V246 HydrophobicContact CZ2-CG1 4.32Å; W242-V246 HydrophobicContact CZ2-CG2 3.98Å; W242-V246 WeakPolarHBondContact O-CG2 3.27Å; W242-V246 PolarHBondContact O-N 3.38Å
247A74.3Confident68.9Low55 Ų55119 Ų11946%0.45563%0.625SS.*SBendtrans-64.6127.817300000110.5Q243Q243-A247 WeakPolarHBondContact O-CB 3.14Å; Q243-A247 PolarHBondContact O-N 2.94Å
248P64.6Low66.7Low112 Ų112124.1 Ų124.173%0.72766%0.661SS**PPolyproline II helixtrans-56.9141.7172.4-1220.3000109.6A250P248-A250 PolarHBondContact O-N 3.39Å; P248-A250 VanDerWaalsContact O-N 3.09Å
249P59.5Low64.6Low123 Ų123128.8 Ų128.880%0.79968%0.677SS**PPolyproline II helixtrans-54.3123.5171.3-16.928.1000107.7E251P249-E251 PolarHBondContact O-N 3.49Å
250A58.8Low62.2Low98 Ų98134.8 Ų134.881%0.8170%0.696SS**  trans-55.7112.9174.700000107.6P248P248-A250 PolarHBondContact O-N 3.39Å; P248-A250 VanDerWaalsContact O-N 3.09Å
251E49.8Very low60.4Low178 Ų178143 Ų14383%0.83272%0.724SS**  trans-52.1132168.8-76-169.9151.300107.2P249 A253P249-E251 PolarHBondContact O-N 3.49Å; E251-A253 PolarHBondContact O-N 3.35Å
252P48Very low58Low121 Ų121148.2 Ų148.279%0.78675%0.747SS**  trans-55.4118.2177.121.3-30.2000107.3R254P252-R254 PolarHBondContact O-N 2.87Å
253A49.1Very low55.4Low96 Ų96153.3 Ų153.379%0.79377%0.766SS**  trans-44.4104-177.900000108.8E251 Q255E251-A253 PolarHBondContact O-N 3.35Å; A253-Q255 VanDerWaalsContact C-N 3.33Å; A253-Q255 PolarHBondContact O-N 2.64Å
254R48Very low52.9Low240 Ų240158.3 Ų158.391%0.90679%0.787SS**  trans-60.4102.9176.3-147.6175.8-171.2-176.23.5104.6P252 Q256P252-R254 PolarHBondContact O-N 2.87Å; R254-Q256 PolarHBondContact O-N 3.35Å
255Q47Very low50.2Low185 Ų185159.4 Ų159.486%0.86480%0.8SS**  trans-49.5115.7175.4-77.8176.9-0.500106.9A253A253-Q255 VanDerWaalsContact C-N 3.33Å; A253-Q255 PolarHBondContact O-N 2.64Å
256Q41.6Very low47.9Very low181 Ų181157.8 Ų157.885%0.84680%0.804SS**  trans-54125.7174.8-69-177.3500107.2R254 S258R254-Q256 PolarHBondContact O-N 3.35Å; Q256-S258 PolarHBondContact O-N 2.97Å
257P39.6Very low45.3Very low120 Ų120157.5 Ų157.578%0.77982%0.818SS**  trans-63.5109.9-178.522.6-29.9000108.4K259P257-K259 PolarHBondContact O-N 2.94Å
258S41.6Very low43.2Very low111 Ų111158.2 Ų158.278%0.77683%0.831SS**  trans-41.4113.5166160.80000108.8Q256 R260Q256-S258 PolarHBondContact O-N 2.97Å; S258-R260 PolarHBondContact O-N 3.07Å
259K42.1Very low41.5Very low201 Ų201158.1 Ų158.187%0.87483%0.833SS**  trans-57.3102.3172.8-77.3-179.7177.4173.90107.6P257 R261P257-K259 PolarHBondContact O-N 2.94Å; K259-R261 PolarHBondContact O-N 3.21Å
260R40.3Very low40Very low240 Ų240157.3 Ų157.391%0.90683%0.826SS**  trans-5596.3173.1-167.5174.688.5177.66.8109S258 K262S258-R260 PolarHBondContact O-N 3.07Å; R260-K262 PolarHBondContact O-N 2.9Å; R260-K262 VanDerWaalsContact O-N 3.09Å
261R47.7Very low38.6Very low234 Ų234160.6 Ų160.688%0.88383%0.826SS**  trans-62.9109.5175.8-164.5171.6156.7-177.6-6.5108.3K259 R263K259-R261 PolarHBondContact O-N 3.21Å; R261-R263 PolarHBondContact O-N 3.04Å
262K36.6Very low37.7Very low190 Ų190157 Ų15783%0.82682%0.821SS**  trans-54.8110.8178.9-172.7170.9-179.2173.60109.9R260 K264R260-K262 PolarHBondContact O-N 2.9Å; R260-K262 VanDerWaalsContact O-N 3.09Å; K262-K264 PolarHBondContact O-N 3.32Å
263R36.7Very low36.8Very low248 Ų248156.6 Ų156.694%0.93682%0.821SS**PPolyproline II helixtrans-72.1120.2167.9-74.2-177.9-171.5172.62.7108.5R261R261-R263 PolarHBondContact O-N 3.04Å
264K34.8Very low35.8Very low200 Ų200156.1 Ų156.187%0.8783%0.825SS**PPolyproline II helixtrans-98.1137.6158.9-108.8-172.3171.8-171.50107.6K262K262-K264 PolarHBondContact O-N 3.32Å
265M29Very low34.8Very low178 Ų178148.5 Ų148.588%0.87782%0.821SS**PPolyproline II helixtrans-80.8169.3177.1-125.9-49.8-155.600111.6
266S33.2Very low34Very low117 Ų117143.3 Ų143.382%0.81882%0.817SS**  trans87.4135.7175.969.50000115.3
267G30.1Very low33.4Very low79 Ų79141.7 Ų141.781%0.81482%0.815SS**  cis159.2142.71.300000109
268G29.8Very low32.9Very low70 Ų70141 Ų14172%0.72281%0.808SS**  trans87.5107.716700000117
269S29.2Very low32.3Very low111 Ų111143 Ų14378%0.77681%0.81SS**  70.2125.698.256.40000113.2
270T26.9Very low31.7Very low105 Ų105140.5 Ų140.564%0.64481%0.807SS**  cis174.1158.646.56.20000111.5
271M30.6Very low31.3Very low168 Ų168133.5 Ų133.583%0.82879%0.794SS**  trans57148.2163.111.1-86.6-179.200119.8
272S29.9Very low30.5Very low102 Ų102129.8 Ų129.871%0.71379%0.792SS**  cis-172.8160.44.855.70000110.8
273S29Very low30.4Very low113 Ų113126.2 Ų126.279%0.7979%0.791SS**  trans57.4119.3153710000119.2
274G27.8Very low30.3Very low85 Ų85123.3 Ų123.388%0.87679%0.785SS**  90.2132.982.200000108.9
275G28.4Very low30.2Very low80 Ų80122.4 Ų122.483%0.82578%0.781SS**  cis155146.41300000105.5
276G28.4Very low30.5Very low76 Ų76123.1 Ų123.178%0.78478%0.779SS**  trans87.3105.3151.100000120.9
277N28.8Very low30.6Very low148 Ų148123 Ų12379%0.79178%0.779SS**  68.9128.9114.6-115.550.9000124.5
278T29.6Very low31.1Very low105 Ų105125.1 Ų125.164%0.64478%0.778SS**  trans76.7124.3133.338.50000124.4
279N29.1Very low31.4Very low152 Ų152126.5 Ų126.581%0.81378%0.783SS**  63.4120.2128.9-76.2-0.4000122.5
280N29.1Very low31.8Very low150 Ų150125.8 Ų125.880%0.80278%0.778SS**  128.7147.2110.4-155.519.7000116.3
281S32.2Very low32.1Very low92 Ų92127.5 Ų127.564%0.64379%0.788SS**  trans85.694.3149.767.50000120.4
282N31.8Very low32.4Very low157 Ų157128.5 Ų128.584%0.8479%0.788SS**  35.7110.1107.5-157.923.7000118.7
283S35Very low32.5Very low115 Ų115128.1 Ų128.180%0.80479%0.791SS**  trans-158.312614062.10000112.4
284K34.2Very low32.8Very low186 Ų186131.3 Ų131.381%0.80980%0.799SS**  trans-56.9141.2168.5-64.8167.9168.3167.60111.8
285K32.1Very low33.1Very low181 Ų181132.5 Ų132.579%0.78779%0.793SS**  146.4136.9119.5-85.3179.7178.1173.10113
286K35.1Very low33.4Very low193 Ų193133.7 Ų133.784%0.83979%0.789SS**  trans82.1113.7147.5-72.9173.7175.1-168.90119.1
287S36.3Very low33.8Very low116 Ų116138 Ų13881%0.81179%0.789SS**  trans-53.2158154.9-36.40000112.2
288P39.7Very low34.3Very low123 Ų123139.1 Ų139.180%0.79980%0.795SS**  -139.5158.9109.531.7-15.6000114.2
289A36Very low35Very low99 Ų99139.7 Ų139.782%0.81880%0.798SS**  trans-61.4142.817200000112
290S36.9Very low35.9Very low96 Ų96141.5 Ų141.567%0.67180%0.804SS**  trans-127.4102.9170.563.10000110.8
291T34.5Very low37Very low140 Ų140139.9 Ų139.986%0.85980%0.799SS**PPolyproline II helixtrans-47124.7157.8-34.20000110.4
292F36.3Very low37.3Very low189 Ų189142.3 Ų142.383%0.82981%0.81SS**PPolyproline II helixtrans-95.5117.5168.3-96.8-85.5000109.7
293A32.9Very low37.7Very low95 Ų95137.7 Ų137.779%0.78580%0.8SS**PPolyproline II helixtrans-79.4138.5172.300000110.5
294L34Very low38.4Very low180 Ų180141 Ų14194%0.94280%0.802SS**PPolyproline II helixtrans-75.9135.1168.6-84.8129.8000110.3
295S34.2Very low38.9Very low109 Ų109138.4 Ų138.476%0.76280%0.804SS**  trans-119.2113.9163.6600000110.2
296S35.8Very low39.6Very low106 Ų106135.6 Ų135.674%0.74180%0.803SS**  trans13.9138.9139-52.20000117.7
297Q35.9Very low40.5Very low167 Ų167134.6 Ų134.678%0.7881%0.805SS**  cis-173.6138.424.3-112.5158.7-9.300105.5
298D39.7Very low41.1Very low170 Ų170137.8 Ų137.891%0.90981%0.81SS**  trans-169.6102.6139.4-92.8-22.4000108
299V43.2Very low41.4Very low118 Ų118136 Ų13672%0.71581%0.813SS**  trans-94.1114.7-179.7174.60000107V301V299-V301 HydrophobicContact CG1-CG2 3.78Å
300M48.2Very low41.8Very low189 Ų189134.8 Ų134.893%0.93181%0.811SS**  trans-120.9102.7159.3-71.9-68.7-75.100107.1
301V52.7Low41.9Very low116 Ų116139.6 Ų139.670%0.70382%0.823SS**  trans-109.1153.6172.2-179.80000107.8V299V299-V301 HydrophobicContact CG1-CG2 3.78Å
302V38.8Very low42.3Very low143 Ų143141.7 Ų141.787%0.86782%0.82SS**  trans94123.5167.3-160.90000113.6
303G39.3Very low42.8Very low61 Ų61135.8 Ų135.863%0.62981%0.813SS**  cis-163.9168.112.300000114.1
304E50Low43.5Very low185 Ų185137 Ų13786%0.86481%0.806SS**PPolyproline II helixtrans-57.7134.3170-58.6178.8160.200110.4T306E304-T306 PolarHBondContact O-N 3.38Å
305P45.8Very low44.4Very low131 Ų131137.1 Ų137.185%0.85180%0.802SS**PPolyproline II helixtrans-75.9118.5158.4-9.426.6000108.5L307P305-L307 PolarHBondContact O-N 3.15Å
306T46.3Very low45.4Very low122 Ų122138 Ų13875%0.74880%0.798SS**PPolyproline II helixtrans-46.4128.4175-460000112.9E304 M308E304-T306 PolarHBondContact O-N 3.38Å; T306-M308 PolarHBondContact O-N 2.97Å; T306-M308 VanDerWaalsContact O-N 3.09Å
307L54.8Low46.3Very low171 Ų171140.4 Ų140.490%0.89580%0.797SS**  trans-5491.4153.3-176.583.9000110.4P305P305-L307 PolarHBondContact O-N 3.15Å
308M48Very low47.4Very low183 Ų183142.4 Ų142.490%0.90180%0.798SS**  trans-168124.4157.1-137162.886.300111.8T306T306-M308 PolarHBondContact O-N 2.97Å; T306-M308 VanDerWaalsContact O-N 3.09Å
309G46.8Very low48Very low85 Ų85141.1 Ų141.188%0.87679%0.79SS**  trans131.872.3159.800000115.3
310G44.1Very low48.6Very low74 Ų74143.1 Ų143.176%0.76380%0.795SS**  trans-179.883.2169.600000108.9
311E39.3Very low49Very low197 Ų197139.9 Ų139.992%0.92179%0.787SS**  trans-53138179.5-74.1172.8138.700111.6G313E311-G313 PolarHBondContact O-N 2.99Å
312F42.7Very low49.3Very low184 Ų184145.3 Ų145.381%0.80779%0.794SS**  trans-55102.8164.5-130.9-106.3000108.3D314F312-D314 WeakPolarHBondContact CD1-OD1 3.2Å; F312-D314 VanDerWaalsContact CE1-OD1 3.29Å; F312-D314 WeakPolarHBondContact CE1-OD1 3.45Å
313G45.7Very low50.1Low66 Ų66146 Ų14668%0.6879%0.792SS**  trans-96.297162.800000108.1E311 E315E311-G313 PolarHBondContact O-N 2.99Å; G313-E315 PolarHBondContact O-N 3.17Å
314D48.6Very low50.8Low120 Ų120151 Ų15164%0.64280%0.799SS**  trans-63.757.4172.1-71.4-43.4000112.4F312F312-D314 WeakPolarHBondContact CD1-OD1 3.2Å; F312-D314 VanDerWaalsContact CE1-OD1 3.29Å; F312-D314 WeakPolarHBondContact CE1-OD1 3.45Å
315E52.9Low50.6Low182 Ų182149.3 Ų149.385%0.8580%0.796SS**  trans-136.625.4-175.2-72.3-155.4155.800115.9G313G313-E315 PolarHBondContact O-N 3.17Å
316D55.2Low50.8Low128 Ų128149.2 Ų149.268%0.68479%0.793SS**  trans-133.741.5163-118.9-15.4000112.3R318D316-R318 PolarHBondContact O-N 3.16Å; D316-R318 IonicContact OD1-NE 3.9Å; D316-R318 PolarHBondContact OD1-NE 3.03Å
317E55.2Low50.8Low156 Ų156152.3 Ų152.373%0.72980%0.799SS**  trans-67.769.3155.9-67-165.7172.600110L319E317-L319 PolarHBondContact O-N 3.19Å
318R58.7Low50.4Low210 Ų210153.4 Ų153.479%0.79280%0.797SS**  trans-71.583.8159.2-69.4-179.7-176-114.9-0.5107.3D316 I320D316-R318 PolarHBondContact O-N 3.16Å; D316-R318 IonicContact OD1-NE 3.9Å; D316-R318 PolarHBondContact OD1-NE 3.03Å; R318-I320 PolarHBondContact O-N 3.09Å
319L52.1Low50.1Low143 Ų143151.3 Ų151.375%0.74979%0.79SS**  trans-43.898.3167.9-73.5141.6000109.2E317 T321E317-L319 PolarHBondContact O-N 3.19Å; L319-T321 VanDerWaalsContact C-N 3.3Å; L319-T321 PolarHBondContact O-N 2.83Å
320I55.7Low50.3Low159 Ų159151.5 Ų151.582%0.81578%0.783SS**  trans-65.2100.5162.6-66.3173.2000105.1R318 R322R318-I320 PolarHBondContact O-N 3.09Å; I320-R322 PolarHBondContact O-N 2.84Å
321T56.3Low50.3Low122 Ų122151.1 Ų151.175%0.74877%0.772SS**  trans-62.8107.8174.1-19.30000107L319 L323L319-T321 VanDerWaalsContact C-N 3.3Å; L319-T321 PolarHBondContact O-N 2.83Å; T321-L323 PolarHBondContact O-N 3.03Å
322R58.5Low50.1Low230 Ų230149.9 Ų149.987%0.86877%0.772SS**  trans-63.9107.5167.9-72.2173.983170.12.9106.2I320 E324I320-R322 PolarHBondContact O-N 2.84Å; R322-E324 PolarHBondContact O-N 2.9Å
323L55.8Low49.5Very low158 Ų158144.3 Ų144.383%0.82777%0.767SS**  trans-62.9105.4161.5-109.592.3000106.8T321T321-L323 PolarHBondContact O-N 3.03Å
324E54.1Low49.1Very low164 Ų164148.8 Ų148.877%0.76677%0.773SS**  trans-70.1123.9161.667.7-167-174.900107.7R322 T326R322-E324 PolarHBondContact O-N 2.9Å; E324-T326 PolarHBondContact O-N 3.07Å; E324-T326 VanDerWaalsContact O-N 3.16Å
325N47Very low48.6Very low151 Ų151149.4 Ų149.481%0.80778%0.777SS**  trans-67.7112.4162.6-77.1-22.6000105.7Q327N325-Q327 PolarHBondContact O-N 2.91Å
326T49.3Very low47.8Very low128 Ų128148.5 Ų148.579%0.78578%0.778SS**  trans-49.9111.1168.843.30000108.4E324 F328E324-T326 PolarHBondContact O-N 3.07Å; E324-T326 VanDerWaalsContact O-N 3.16Å; T326-F328 PolarHBondContact O-N 2.6Å
327Q47Very low46.9Very low187 Ų187150.4 Ų150.487%0.87478%0.783SS**  trans-55.1125.5160.1-90.9173.8-29.500107N325 D329N325-Q327 PolarHBondContact O-N 2.91Å; Q327-D329 PolarHBondContact O-N 3.49Å
328F46.2Very low45.9Very low194 Ų194149.7 Ų149.785%0.85178%0.784SS**  trans-60.2109.2167.8-175.1-97.4000107.7T326 A330T326-F328 PolarHBondContact O-N 2.6Å; F328-A330 HydrophobicContact CD1-CB 4.44Å; F328-A330 HydrophobicContact CE1-CB 4.45Å; F328-A330 PolarHBondContact O-N 3.47Å
329D40.9Very low44.7Very low140 Ų140144.4 Ų144.475%0.74978%0.779SS**  trans-79.9106.3178.2-164.8-1.2000108.7Q327 A331Q327-D329 PolarHBondContact O-N 3.49Å; D329-A331 VanDerWaalsContact C-N 3.33Å; D329-A331 PolarHBondContact O-N 3.09Å
330A50.9Low43.9Very low88 Ų88146.7 Ų146.773%0.72778%0.783SS**  trans-9461.5177.500000109.7F328F328-A330 HydrophobicContact CD1-CB 4.44Å; F328-A330 HydrophobicContact CE1-CB 4.45Å; F328-A330 PolarHBondContact O-N 3.47Å
331A44.4Very low43Very low66 Ų66145.6 Ų145.655%0.54578%0.779SS.*  trans-163.283.9171.200000112.4D329D329-A331 VanDerWaalsContact C-N 3.33Å; D329-A331 PolarHBondContact O-N 3.09Å
332N34.7Very low41.9Very low171 Ų171146.9 Ų146.991%0.91478%0.782SS**  -166.3108.6126.3-109.3-10.8000113.1
333G31.1Very low40.9Very low68 Ų68141.5 Ų141.570%0.70178%0.779SS**  trans77.9137.7149.400000116.5
334I36.7Very low40.2Very low159 Ų159140.1 Ų140.182%0.81578%0.78SS**  cis-167.2150.61.2-115.2153.6000103.6
335D38.3Very low39.4Very low134 Ų134136.5 Ų136.572%0.71778%0.778SS**  trans18.5124.9162.2-67.7-26.5000119.3
336D35.9Very low38.8Very low163 Ų163137.9 Ų137.987%0.87278%0.784SS**  -170.7146101-100.4-41.4000112
337E36.3Very low37.8Very low167 Ų167135.3 Ų135.378%0.7878%0.783SS**  trans-65.8158.2-178-63.2-158143.900114
338D34.5Very low37.2Very low142 Ų142131.1 Ų131.176%0.75978%0.781SS**  trans34.7139.1142.3-75.4-34.9000121.8
339S34Very low36.4Very low99 Ų99129.8 Ų129.869%0.69278%0.782SS**  trans103.7114.4143.6-610000118.7
340F34.9Very low36Very low190 Ų190128.7 Ų128.783%0.83379%0.786SS**  49.5128.3128.5-84.3-91.8000120.5
341N36.8Very low35.1Very low137 Ų137130.1 Ų130.173%0.73379%0.788SS**  trans78.4136.5147.1-92.8-2.6000119.6
342N32.6Very low34.7Very low149 Ų149138.4 Ų138.480%0.79781%0.805SS**  trans90108.7160.9-61.1-36.5000117.8
343S36.9Very low34.5Very low117 Ų117137.2 Ų137.282%0.81880%0.799SS**  trans-55.6154.5144.5-50.90000110.2
344P42.3Very low34.7Very low129 Ų129139.7 Ų139.784%0.83881%0.805SS**  -144.6176.7103.631.2-11.6000114.9
345A35.9Very low34.7Very low88 Ų88140.8 Ų140.873%0.72780%0.804SS**  trans-63.2-177.4-166.800000118.6
346L34.4Very low34.7Very low179 Ų179140 Ų14094%0.93781%0.806SS**  trans98.8130169.6-54.4168.7000113.1
347G29.7Very low35Very low75 Ų75138.2 Ų138.277%0.77380%0.803SS**  cis-177.3162.410.900000110.1
348A33.1Very low34.9Very low99 Ų99135.7 Ų135.782%0.81880%0.804SS**  trans-62.6141.1-176.100000114.1
349N30.7Very low34.9Very low165 Ų165134.1 Ų134.188%0.88281%0.805SS**  trans-165.6109.4141.7-106-10.1000110.8
350S32.9Very low34.9Very low117 Ų117137.4 Ų137.482%0.81881%0.809SS**  trans-146.4140.4156.8-83.10000110.3W352S350-W352 PolarHBondContact O-N 3.4Å
351P31.9Very low34.7Very low118 Ų118136.4 Ų136.477%0.76681%0.807SS**SBendtrans-102.751-150.339.2-32.1000112.9
352W34.7Very low34.6Very low240 Ų240135.6 Ų135.691%0.90981%0.812SS**  trans-137.978.2176-83.574.4000109.9S350S350-W352 PolarHBondContact O-N 3.4Å
353N31.6Very low34.6Very low147 Ų147137.9 Ų137.979%0.78682%0.815SS**  trans-148.297.4164.6-148.25.8000110.4
354S34Very low34.4Very low119 Ų119136.5 Ų136.583%0.83281%0.805SS**  trans-95.5105.4171.138.70000109.4
355K37.5Very low33.9Very low182 Ų182139.3 Ų139.379%0.79181%0.807SS**PPolyproline II helixtrans-94145.7164.9-82.3-175175.5179.50110.5
356P38.3Very low33.8Very low118 Ų118142.2 Ų142.277%0.76681%0.81SS**PPolyproline II helixtrans-87.3162154.834-27.7000111.3
357P43Very low34.3Very low125 Ų125138.7 Ų138.781%0.81280%0.798SS**PPolyproline II helixtrans-92.3149-157.134.7-33.1000116.7
358S33.8Very low34.7Very low115 Ų115140.9 Ų140.980%0.80480%0.797SS**  trans-8147.8161.860.90000123.2
359S33.4Very low34.9Very low109 Ų109141.5 Ų141.576%0.76280%0.795SS**  trans-151.7122.2131.215.30000112.3
360Q34.2Very low35.2Very low168 Ų168142.8 Ų142.879%0.78580%0.796SS**  trans46111.3141.2-73173.4-45.900120.5
361E32.1Very low35.5Very low169 Ų169141.5 Ų141.579%0.7979%0.792SS**  73.9107.889.9-95.9-173.114400114.4
362S33.4Very low35.9Very low120 Ų120141.4 Ų141.484%0.83980%0.795SS**  173.5117.9113.432.60000113.1
363K32.7Very low36.1Very low197 Ų197142.9 Ų142.986%0.85781%0.811SS**  trans-5.9142.6133.7-114.6175.4178.4179.10115.1
364S32.6Very low36.3Very low87 Ų87142.7 Ų142.761%0.60881%0.813SS**  cis-173.7161.538.1-56.40000111.1
365E32Very low36.4Very low188 Ų188143.9 Ų143.988%0.87981%0.812SS**  trans73.2109.5142.9-75.9170.3-17300122
366N34.5Very low36.4Very low149 Ų149141.8 Ų141.880%0.79781%0.813SS**  trans-67.6163145.6-130.31.2000108.7
367P45Very low36.3Very low106 Ų106143.2 Ų143.269%0.68882%0.815SS**  cis-152.6167.848.340.7-18.6000118.3
368T37.4Very low35.9Very low120 Ų120144.3 Ų144.374%0.73682%0.816SS**  trans41.2124.3146.148.80000121.3
369S37.7Very low36Very low112 Ų112146.3 Ų146.378%0.78382%0.816SS**  trans-167.2107.2138.9-73.70000107.9
370Q36.7Very low36.2Very low192 Ų192148.9 Ų148.990%0.89782%0.82SS**  78.9126.1100.2-101.7-174-5.200115.2
371A39.7Very low36.3Very low91 Ų91147.5 Ų147.575%0.75282%0.823SS**  trans-55.7147.8167.400000112.7
372S40.1Very low36.7Very low116 Ų116145.7 Ų145.781%0.81183%0.826SS**  trans-173.7138.8130.9-84.20000111.7
373Q38.5Very low37Very low270 Ų270148 Ų148100%1.26283%0.825SS**  trans78.80165.6-66.2-176.216.600118.9

Retrieved 373 of 373 residues in 168.1 ms (Link to these results)