A0A044SET4_ONCVO Loading...

Large ribosomal subunit protein eL22

AlphaFold DB , UniProt , Accession A0A044SET4, Species ONCVO (Onchocerca volvulus), Gene n/a, Length 143 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
1M48.5Very low63.8Low244 Ų244158.3 Ų158.3100%1.20288%0.879SS**  090.40-78.3168.9153.600109.4
2V59.8Low63.8Low153 Ų153156.2 Ų156.293%0.92787%0.873SS**  trans-151.8109.8158.8-175.80000106.4
3A65.7Low63.6Low101 Ų101153.2 Ų153.284%0.83586%0.864SS**PPolyproline II helixtrans-94.2130.3-176.800000110.7
4A73.5Confident63Low91 Ų91156.7 Ų156.775%0.75287%0.865SS**PPolyproline II helixtrans-75.7146.7177.300000112.5
5P72.4Confident62.1Low126 Ų126160.7 Ų160.782%0.81886%0.862SS**PPolyproline II helixtrans-81.6128.9178.431.6-31.1000111.8
6K71.6Confident61.3Low203 Ų203157.8 Ų157.888%0.88386%0.858SS**PPolyproline II helixtrans-75.4122.4174.7-77.7178.7174.1177.90111.3K8K6-K8 PolarHBondContact O-N 3.45Å
7V69.4Low60.7Low140 Ų140158.9 Ų158.985%0.84885%0.853SS**PPolyproline II helixtrans-69.3119.4169.4-179.40000109.9
8K63.6Low59.8Low193 Ų193159.4 Ų159.484%0.83985%0.846SS**PPolyproline II helixtrans-82.1122.2173.4-76.1-179177.7176.40109.9K6K6-K8 PolarHBondContact O-N 3.45Å
9K59.8Low58.7Low203 Ų203160 Ų16088%0.88385%0.848SS**PPolyproline II helixtrans-72.4129.3174.2-64178.8178179.70110.1A11K9-A11 PolarHBondContact O-N 3.38Å
10H52.9Low58Low191 Ų191159.3 Ų159.388%0.88484%0.84SS**  trans-73.1114.3167.5-81.2-76.6000109.9
11A64.8Low57.2Low96 Ų96157.8 Ų157.879%0.79384%0.842SS**PPolyproline II helixtrans-92.5123.2169.200000109.4K9K9-A11 PolarHBondContact O-N 3.38Å
12V63.7Low56.9Low133 Ų133149.4 Ų149.481%0.80682%0.819SS**PPolyproline II helixtrans-73.9127.3174.4-173.10000108.9K14V12-K14 PolarHBondContact O-N 3.3Å
13P60.9Low55.7Low118 Ų118152 Ų15277%0.76682%0.818SS**PPolyproline II helixtrans-75.1117.5-178.528.3-31.4000110.9R15P13-R15 PolarHBondContact O-N 3.14Å
14K55.2Low54.8Low202 Ų202152.9 Ų152.988%0.87881%0.813SS**  trans-64.5109.5165.6-75.9-178.5177.7176.90108.9V12 S16V12-K14 PolarHBondContact O-N 3.3Å; K14-S16 PolarHBondContact O-N 3.18Å; K14-S16 VanDerWaalsContact O-N 3.14Å
15R49.2Very low53.7Low217 Ų217154.4 Ų154.482%0.81981%0.813SS**  trans-8185.4177.5-177.7171.2159.3176.3-6.1110.5P13P13-R15 PolarHBondContact O-N 3.14Å
16S50.1Low52.9Low113 Ų113157.5 Ų157.579%0.7981%0.813SS**  trans-87.7100.3160.545.40000109.2K14K14-S16 PolarHBondContact O-N 3.18Å; K14-S16 VanDerWaalsContact O-N 3.14Å
17K51Low52.3Low177 Ų177157.2 Ų157.277%0.7781%0.812SS**  trans-100.197.2168.7-102.6-174.3178.1-178.10110
18K43.7Very low52Low168 Ų168160.2 Ų160.273%0.7381%0.814SS**  trans34.6111132.4-142.3178.7-164.4-144.80117.9E20K18-E20 WeakPolarHBondContact CE-OE2 3.12Å; K18-E20 IonicContact NZ-OE2 3.14Å; K18-E20 PolarHBondContact NZ-OE2 2.68Å
19L39.3Very low52.2Low171 Ų171160.1 Ų160.190%0.89581%0.814SS**  trans-61124.2151.5-73141.9000109.1
20E45.9Very low52.8Low145 Ų145158 Ų15868%0.67880%0.804SS**  trans-168.6125.6154.6-110.1170.6139.900111.9K18K18-E20 WeakPolarHBondContact CE-OE2 3.12Å; K18-E20 IonicContact NZ-OE2 3.14Å; K18-E20 PolarHBondContact NZ-OE2 2.68Å
21S40.8Very low54.3Low128 Ų128156.5 Ų156.590%0.89580%0.798SS**SBendtrans76.7121154.771.50000121
22G41.1Very low55.5Low69 Ų69155.7 Ų155.771%0.71178%0.783SS**  trans11039.9150.100000119T24G22-T24 PolarHBondContact O-N 3.23Å
23K36.1Very low57Low208 Ų208151.6 Ų151.690%0.90476%0.756SS**  trans-75.966.5177.1-148.3172.6-169.81780112.1
24T46.7Very low58.6Low118 Ų118152 Ų15272%0.72475%0.746SS**  trans-90.8104.4157.748.60000107.6G22 K26G22-T24 PolarHBondContact O-N 3.23Å; T24-K26 VanDerWaalsContact C-N 3.27Å; T24-K26 PolarHBondContact O-N 2.94Å
25T49.5Very low60.6Low123 Ų123143.8 Ų143.876%0.75571%0.709SS**  trans-63.887.2173.844.40000109.5K27T25-K27 VanDerWaalsContact C-N 3.26Å; T25-K27 PolarHBondContact O-N 3.35Å
26K55.8Low62.9Low191 Ų191135.6 Ų135.683%0.8368%0.682SS**  trans-60.894.4161.5-76.7-177.5179.7175.60106.6T24 K28T24-K26 VanDerWaalsContact C-N 3.27Å; T24-K26 PolarHBondContact O-N 2.94Å; K26-K28 PolarHBondContact O-N 3.36Å
27K59.3Low65.1Low198 Ų198130.5 Ų130.586%0.86165%0.646SS**  trans-46.7108.9169.2-90.3179.9175.6171.70106.9T25 K29T25-K27 VanDerWaalsContact C-N 3.26Å; T25-K27 PolarHBondContact O-N 3.35Å; K27-K29 PolarHBondContact O-N 3.24Å
28K63Low67.3Low202 Ų202124.4 Ų124.488%0.87862%0.62SS**  trans-53.4113.9176.3-160.2174.1-1761780106.1K26 K30K26-K28 PolarHBondContact O-N 3.36Å; K28-K30 PolarHBondContact O-N 3.33Å
29K67.4Low69.7Low192 Ų192116.5 Ų116.584%0.83559%0.586SS**  trans-51.6119.9-178.8-75.7-175.9177.9-178.80107.3K27 Q31K27-K29 PolarHBondContact O-N 3.24Å; K29-Q31 PolarHBondContact O-N 3.37Å
30K71.9Confident72.3Confident158 Ų158113.5 Ų113.569%0.68757%0.566SS**  trans-55.7116.2172.4-73.7-178.9165.4-1660107K28 T32 E89K28-K30 PolarHBondContact O-N 3.33Å; K30-T32 PolarHBondContact O-N 2.83Å; K30-E89 IonicContact NZ-OE2 3.7Å; K30-E89 PolarHBondContact NZ-OE2 3.02Å
31Q84.6Confident74.5Confident160 Ų160109.7 Ų109.775%0.74855%0.55SS*.  trans-79.8110.5177.7-73.7-178.5-22.600107.9K29K29-Q31 PolarHBondContact O-N 3.37Å
32T91Very high77Confident79 Ų79103.6 Ų103.649%0.48551%0.507SS..  trans-82.1121.6170.9-54.50000108.7K30 T87K30-T32 PolarHBondContact O-N 2.83Å; T32-T87 HydrophobicContact CG2-CG2 3.4Å
33I93.9Very high79.6Confident46 Ų46101.9 Ų101.924%0.23648%0.483CS..EExtended strand (participates in β ladder)trans-100.5134.5176.9-56.1167.5000107.6Y35 T87 S88I33-Y35 HydrophobicContact CG2-CD1 4.49Å; I33-Y35 HydrophobicContact CG2-CD2 4.14Å; I33-Y35 HydrophobicContact CG2-CE1 3.88Å; I33-Y35 HydrophobicContact CG2-CE2 3.51Å; I33-T87 WeakPolarHBondContact O-CA 3.47Å; I33-S88 PolarHBondContact N-O 3.3Å; I33-S88 PolarHBondContact O-N 3.19Å
34K95.7Very high82.3Confident128 Ų12897.8 Ų97.856%0.55747%0.467SS*.EExtended strand (participates in β ladder)trans-122.3131.5177.3-66.2-171.9176.9-171.70109.8L86 T87K34-L86 CarbonylContact C-O 3.51Å; K34-L86 WeakPolarHBondContact CA-O 3.26Å; K34-T87 HydrophobicContact CG-CG2 4.15Å
35Y97.1Very high84.5Confident28 Ų2896.8 Ų96.811%0.1146%0.457CS..EExtended strand (participates in β ladder)trans-126.2143.4174.8-65.2-50.9000110.9I33 L86 F92 K94 L97 D122I33-Y35 HydrophobicContact CG2-CD1 4.49Å; I33-Y35 HydrophobicContact CG2-CD2 4.14Å; I33-Y35 HydrophobicContact CG2-CE1 3.88Å; I33-Y35 HydrophobicContact CG2-CE2 3.51Å; Y35-L86 HydrophobicContact CD2-CD2 4.48Å; Y35-L86 PolarHBondContact N-O 2.95Å; Y35-L86 PolarHBondContact O-N 2.8Å; Y35-F92 AromaticContact CD2-CD1 3.89Å; Y35-F92 HydrophobicContact CD2-CD1 3.89Å; Y35-F92 HydrophobicContact CD2-CE1 4.36Å; Y35-F92 AromaticContact CE2-CD1 3.88Å; Y35-F92 HydrophobicContact CE2-CD1 3.88Å; Y35-F92 WeakPolarHBondContact CE2-O 3.35Å; Y35-F92 PolarHBondContact OH-O 2.88Å; Y35-K94 HydrophobicContact CD1-CB 4Å; Y35-K94 HydrophobicContact CD1-CD 4.29Å; Y35-K94 HydrophobicContact CD1-CG 4.18Å; Y35-K94 HydrophobicContact CE1-CB 3.62Å; Y35-K94 HydrophobicContact CE1-CD 4.33Å; Y35-K94 HydrophobicContact CE1-CG 4.24Å; Y35-K94 HydrophobicContact CE2-CB 4.15Å; Y35-K94 HydrophobicContact CG-CB 4.44Å; Y35-K94 PolarHBondContact OH-N 2.92Å; Y35-L97 VanDerWaalsContact CB-CD1 3.48Å; Y35-L97 HydrophobicContact CD2-CD1 4Å; Y35-L97 HydrophobicContact CG-CD1 4.04Å; Y35-D122 WeakPolarHBondContact CA-O 3.41Å; Y35-D122 HydrophobicContact CD1-CB 4.09Å; Y35-D122 HydrophobicContact CE1-CB 4.48Å
36N96.8Very high86.6Confident46 Ų4693.9 Ų93.925%0.24645%0.452CS..EExtended strand (participates in β ladder)trans-116.8138.3179.8-56.9-66.6000110.5D122 T123 Y124N36-D122 PolarHBondContact N-O 3.22Å; N36-T123 HydrophobicContact CB-CG2 4.02Å; N36-T123 CarbonylContact O-C 3.57Å; N36-T123 WeakPolarHBondContact O-CA 3.19Å; N36-Y124 PolarHBondContact O-N 2.71Å
37L97.1Very high88.3Confident6 Ų688.3 Ų88.33%0.03143%0.431CS..EExtended strand (participates in β ladder)trans-117.1108.1171-63.3178.7000108.5F53 L57 K83 I84 L97 T101 Y124L37-F53 HydrophobicContact CD1-CE1 3.78Å; L37-F53 HydrophobicContact CD1-CZ 3.88Å; L37-L57 HydrophobicContact CD1-CD1 4.09Å; L37-K83 CarbonylContact O-C 3.58Å; L37-K83 VanDerWaalsContact O-CA 3.29Å; L37-K83 WeakPolarHBondContact O-CA 3.24Å; L37-I84 HydrophobicContact CB-CB 4.28Å; L37-I84 PolarHBondContact N-O 2.86Å; L37-I84 PolarHBondContact O-N 3.36Å; L37-L97 HydrophobicContact CD1-CD2 4.19Å; L37-L97 HydrophobicContact CD2-CB 4.25Å; L37-L97 HydrophobicContact CD2-CD1 4.47Å; L37-L97 HydrophobicContact CG-CD1 4.49Å; L37-T101 HydrophobicContact CD1-CG2 3.72Å; L37-T101 HydrophobicContact CD2-CG2 4Å; L37-T101 HydrophobicContact CG-CG2 4.48Å; L37-Y124 HydrophobicContact CD2-CD2 3.86Å; L37-Y124 HydrophobicContact CD2-CG 4.28Å
38E96.3Very high89.9Confident49 Ų4979.3 Ų79.323%0.22939%0.392CS..EExtended strand (participates in β ladder)trans-89.9118.4177.4-61.4-169.3158.800109.8K83 T123 Y124 E125 L126E38-K83 HydrophobicContact CG-CD 4.01Å; E38-K83 HydrophobicContact CG-CG 4.2Å; E38-K83 WeakPolarHBondContact OE1-CE 3.42Å; E38-K83 IonicContact OE1-NZ 3.68Å; E38-K83 PolarHBondContact OE1-NZ 3.09Å; E38-T123 HydrophobicContact CG-CG2 3.75Å; E38-Y124 PolarHBondContact N-O 2.93Å; E38-E125 HydrophobicContact CB-CB 4.47Å; E38-E125 HydrophobicContact CB-CG 4.29Å; E38-E125 WeakPolarHBondContact O-CA 3.25Å; E38-L126 PolarHBondContact O-N 2.78Å
39C95.1Very high91.4Very high2 Ų274 Ų741%0.01437%0.373CS..  trans-119.327.3-176.8-52.90000110.7N41 P42 V43 M48 T82 L126C39-N41 PolarHBondContact O-N 2.97Å; C39-P42 HydrophobicContact CB-CG 4.37Å; C39-P42 VanDerWaalsContact O-CD 3.29Å; C39-P42 WeakPolarHBondContact O-CD 3.5Å; C39-P42 WeakPolarHBondContact O-CG 3.49Å; C39-V43 HydrophobicContact CB-CG2 3.89Å; C39-V43 VanDerWaalsContact O-CB 3.29Å; C39-V43 WeakPolarHBondContact O-CB 3.48Å; C39-V43 WeakPolarHBondContact O-CG2 3.49Å; C39-V43 PolarHBondContact O-N 3.12Å; C39-M48 HydrophobicContact CB-SD 4.3Å; C39-T82 CarbonylContact C-O 3.56Å; C39-T82 PolarHBondContact N-O 3.34Å; C39-L126 HydrophobicContact CB-CD1 4.06Å
40K93.6Very high92.7Very high108 Ų10865.2 Ų65.247%0.4734%0.335SS..Hα-helixtrans-53.4-61-171.2-172.8-175.2176.1-169.60112.5V43 E44K40-V43 PolarHBondContact O-N 3.03Å; K40-E44 VanDerWaalsContact CE-CD 3.43Å; K40-E44 WeakPolarHBondContact CE-OE1 3.46Å; K40-E44 VanDerWaalsContact CE-OE2 3.29Å; K40-E44 WeakPolarHBondContact CE-OE2 3.16Å; K40-E44 HydrophobicContact CG-CG 4.35Å; K40-E44 VanDerWaalsContact CG-OE1 3.25Å; K40-E44 WeakPolarHBondContact CG-OE1 3.36Å; K40-E44 WeakPolarHBondContact O-CG 3.19Å; K40-E44 PolarHBondContact O-N 3.35Å
41N91.5Very high93.8Very high64 Ų6462.3 Ų62.334%0.34233%0.327SS..Hα-helixtrans-55-55.8-175.6-54.953000113C39 V43 E44 D45 Y128C39-N41 PolarHBondContact O-N 2.97Å; N41-V43 PolarHBondContact O-N 3.35Å; N41-E44 PolarHBondContact O-N 2.87Å; N41-D45 VanDerWaalsContact O-CG 3.28Å; N41-D45 PolarHBondContact O-N 3.29Å; N41-D45 VanDerWaalsContact O-N 3.09Å; N41-Y128 HydrophobicContact CB-CD2 4.2Å; N41-Y128 HydrophobicContact CB-CE2 3.84Å
42P94.5Very high94.3Very high0 Ų058 Ų580%031%0.31CS..Hα-helixtrans-70.2-18.3-177.229.7-38.6000114.5C39 I47 M48 L114 L126C39-P42 HydrophobicContact CB-CG 4.37Å; C39-P42 VanDerWaalsContact O-CD 3.29Å; C39-P42 WeakPolarHBondContact O-CD 3.5Å; C39-P42 WeakPolarHBondContact O-CG 3.49Å; P42-I47 HydrophobicContact CB-CD1 3.78Å; P42-I47 HydrophobicContact CB-CG1 3.63Å; P42-I47 WeakPolarHBondContact O-CG1 3.39Å; P42-I47 PolarHBondContact O-N 3.4Å; P42-I47 VanDerWaalsContact O-N 3.13Å; P42-M48 HydrophobicContact CB-CB 3.89Å; P42-M48 HydrophobicContact CG-CB 4.44Å; P42-M48 HydrophobicContact CG-SD 4.4Å; P42-M48 PolarHBondContact O-N 2.89Å; P42-L114 HydrophobicContact CB-CD1 3.66Å; P42-L114 HydrophobicContact CB-CD2 4.2Å; P42-L114 HydrophobicContact CG-CD1 4.13Å; P42-L114 HydrophobicContact CG-CD2 4.49Å; P42-L126 HydrophobicContact CG-CB 4.09Å; P42-L126 HydrophobicContact CG-CD1 3.88Å
43V94Very high94.5Very high34 Ų3454.4 Ų54.421%0.20629%0.287CS..Hα-helixtrans-84.2-40.9177.3174.40000110.7C39 K40 N41 D45 G46 V50 T82C39-V43 HydrophobicContact CB-CG2 3.89Å; C39-V43 VanDerWaalsContact O-CB 3.29Å; C39-V43 WeakPolarHBondContact O-CB 3.48Å; C39-V43 WeakPolarHBondContact O-CG2 3.49Å; C39-V43 PolarHBondContact O-N 3.12Å; K40-V43 PolarHBondContact O-N 3.03Å; N41-V43 PolarHBondContact O-N 3.35Å; V43-D45 VanDerWaalsContact C-N 3.31Å; V43-G46 PolarHBondContact O-N 3.43Å; V43-V50 HydrophobicContact CB-CG2 4.14Å; V43-V50 HydrophobicContact CG1-CG2 3.76Å; V43-V50 HydrophobicContact CG2-CG2 3.21Å; V43-T82 HydrophobicContact CB-CG2 4.46Å; V43-T82 HydrophobicContact CG1-CG2 4.16Å
44E93.5Very high94.6Very high121 Ų12152.2 Ų52.257%0.56528%0.276SS*.Hα-helixtrans-64.3-37.1175.1-73.3176.5178.300111.4K40 N41 G46K40-E44 VanDerWaalsContact CE-CD 3.43Å; K40-E44 WeakPolarHBondContact CE-OE1 3.46Å; K40-E44 VanDerWaalsContact CE-OE2 3.29Å; K40-E44 WeakPolarHBondContact CE-OE2 3.16Å; K40-E44 HydrophobicContact CG-CG 4.35Å; K40-E44 VanDerWaalsContact CG-OE1 3.25Å; K40-E44 WeakPolarHBondContact CG-OE1 3.36Å; K40-E44 WeakPolarHBondContact O-CG 3.19Å; K40-E44 PolarHBondContact O-N 3.35Å; N41-E44 PolarHBondContact O-N 2.87Å; E44-G46 PolarHBondContact O-N 3.04Å
45D93.5Very high94.5Very high97 Ų9749.3 Ų49.352%0.51927%0.269SS..THydrogen-bonded Turntrans-78.5-4.3175.9-60-28.1000113.6N41 V43 I47 Y128N41-D45 VanDerWaalsContact O-CG 3.28Å; N41-D45 PolarHBondContact O-N 3.29Å; N41-D45 VanDerWaalsContact O-N 3.09Å; V43-D45 VanDerWaalsContact C-N 3.31Å; D45-I47 VanDerWaalsContact C-N 3.26Å; D45-I47 PolarHBondContact O-N 3.06Å; D45-Y128 WeakPolarHBondContact OD2-CE2 3.43Å; D45-Y128 VanDerWaalsContact OD2-CZ 3.25Å; D45-Y128 PolarHBondContact OD2-OH 2.94Å
46G92Very high94.5Very high63 Ų6348.1 Ų48.165%0.64927%0.265SS*.THydrogen-bonded Turntrans74.82.9177.800000116V43 E44 M48V43-G46 PolarHBondContact O-N 3.43Å; E44-G46 PolarHBondContact O-N 3.04Å; G46-M48 VanDerWaalsContact C-N 3.33Å
47I93.1Very high94.5Very high73 Ų7346 Ų4637%0.37425%0.253SS..SBendtrans-77.6-17.1179.864.8166.3000113.4P42 D45 L110 L114 Y128P42-I47 HydrophobicContact CB-CD1 3.78Å; P42-I47 HydrophobicContact CB-CG1 3.63Å; P42-I47 WeakPolarHBondContact O-CG1 3.39Å; P42-I47 PolarHBondContact O-N 3.4Å; P42-I47 VanDerWaalsContact O-N 3.13Å; D45-I47 VanDerWaalsContact C-N 3.26Å; D45-I47 PolarHBondContact O-N 3.06Å; I47-L110 HydrophobicContact CB-CD2 4.46Å; I47-L110 HydrophobicContact CD1-CD2 4.39Å; I47-L114 HydrophobicContact CD1-CD1 4.01Å; I47-L114 HydrophobicContact CD1-CD2 4.47Å; I47-L114 HydrophobicContact CD1-CG 4.38Å; I47-Y128 HydrophobicContact CD1-CE1 3.95Å; I47-Y128 WeakPolarHBondContact CD1-OH 3.21Å
48M92.4Very high94.3Very high10 Ų1049.5 Ų49.55%0.04927%0.272CS..  trans-132.1131.9178.5-179.5177.6-6700111.7C39 P42 G46 Y104 L105 L110 L114 L126C39-M48 HydrophobicContact CB-SD 4.3Å; P42-M48 HydrophobicContact CB-CB 3.89Å; P42-M48 HydrophobicContact CG-CB 4.44Å; P42-M48 HydrophobicContact CG-SD 4.4Å; P42-M48 PolarHBondContact O-N 2.89Å; G46-M48 VanDerWaalsContact C-N 3.33Å; M48-Y104 HydrophobicContact CE-CD1 4.19Å; M48-Y104 HydrophobicContact CE-CE1 3.86Å; M48-Y104 HydrophobicContact CG-CE1 4.16Å; M48-Y104 HydrophobicContact SD-CE1 4.14Å; M48-L105 HydrophobicContact CE-CD2 3.42Å; M48-L105 VanDerWaalsContact CE-CD2 3.42Å; M48-L110 HydrophobicContact CB-CD1 4.5Å; M48-L110 HydrophobicContact CE-CD1 3.87Å; M48-L114 HydrophobicContact CE-CD1 4.21Å; M48-L126 HydrophobicContact CE-CD1 3.52Å; M48-L126 HydrophobicContact SD-CD1 3.73Å
49N93.6Very high94.3Very high90 Ų9052.8 Ų52.848%0.48129%0.287SS..  trans-94.2121.9169.3-170.8-16.9000111N51 D52 F53 Y104N49-N51 VanDerWaalsContact C-N 3.3Å; N49-N51 PolarHBondContact O-N 2.99Å; N49-N51 WeakPolarHBondContact OD1-CB 3.39Å; N49-N51 PolarHBondContact OD1-N 2.85Å; N49-D52 HydrophobicContact CB-CB 4.14Å; N49-D52 PolarHBondContact O-N 3.08Å; N49-F53 PolarHBondContact O-N 3.28Å; N49-F53 VanDerWaalsContact O-N 3.11Å; N49-Y104 PolarHBondContact O-OH 2.64Å
50V94.8Very high94.3Very high7 Ų757.3 Ų57.34%0.04230%0.304CS..Hα-helixtrans-65.6-33.9178.8-169.80000111.8V43 F53 G54 I79 I84V43-V50 HydrophobicContact CB-CG2 4.14Å; V43-V50 HydrophobicContact CG1-CG2 3.76Å; V43-V50 HydrophobicContact CG2-CG2 3.21Å; V50-F53 PolarHBondContact O-N 2.89Å; V50-G54 PolarHBondContact O-N 3.36Å; V50-I79 HydrophobicContact CB-CG2 4.41Å; V50-I79 HydrophobicContact CG1-CG2 3.63Å; V50-I84 HydrophobicContact CG1-CD1 3.99Å; V50-I84 HydrophobicContact CG1-CG1 3.68Å
51N95Very high94.5Very high97 Ų9752.1 Ų52.152%0.51928%0.282SS..Hα-helixtrans-67-45.6-179.9-66-62000111.2N49 F53 G54 T55N49-N51 VanDerWaalsContact C-N 3.3Å; N49-N51 PolarHBondContact O-N 2.99Å; N49-N51 WeakPolarHBondContact OD1-CB 3.39Å; N49-N51 PolarHBondContact OD1-N 2.85Å; N51-F53 VanDerWaalsContact C-N 3.29Å; N51-F53 PolarHBondContact O-N 3.28Å; N51-G54 PolarHBondContact O-N 3.26Å; N51-G54 VanDerWaalsContact O-N 3.15Å; N51-T55 WeakPolarHBondContact O-CG2 3.26Å; N51-T55 PolarHBondContact O-N 3.48Å; N51-T55 PolarHBondContact O-OG1 3.34Å
52D95.3Very high94.6Very high71 Ų7154.5 Ų54.538%0.3829%0.289SS..Hα-helixtrans-62.9-37.8174.9-175.555.8000111.8N49 G54 T55 F56 Y104N49-D52 HydrophobicContact CB-CB 4.14Å; N49-D52 PolarHBondContact O-N 3.08Å; D52-G54 VanDerWaalsContact C-N 3.33Å; D52-G54 PolarHBondContact O-N 2.94Å; D52-T55 WeakPolarHBondContact CA-OG1 3.35Å; D52-T55 PolarHBondContact O-N 3.47Å; D52-T55 PolarHBondContact O-OG1 3.01Å; D52-F56 WeakPolarHBondContact O-CB 3.45Å; D52-F56 PolarHBondContact O-N 3.34Å; D52-Y104 VanDerWaalsContact OD2-CE2 3.31Å; D52-Y104 WeakPolarHBondContact OD2-CE2 3.43Å; D52-Y104 PolarHBondContact OD2-OH 2.93Å
53F96Very high94.6Very high2 Ų254.9 Ų54.91%0.00929%0.291CS..Hα-helixtrans-66.7-37.9174.9-174.5-138.3000112L37 N49 V50 N51 F56 L57 I84 T101 Y104L37-F53 HydrophobicContact CD1-CE1 3.78Å; L37-F53 HydrophobicContact CD1-CZ 3.88Å; N49-F53 PolarHBondContact O-N 3.28Å; N49-F53 VanDerWaalsContact O-N 3.11Å; V50-F53 PolarHBondContact O-N 2.89Å; N51-F53 VanDerWaalsContact C-N 3.29Å; N51-F53 PolarHBondContact O-N 3.28Å; F53-F56 HydrophobicContact CD2-CD1 4.29Å; F53-F56 HydrophobicContact CE2-CD1 4.22Å; F53-F56 PolarHBondContact O-N 3.01Å; F53-L57 HydrophobicContact CD2-CG 4.25Å; F53-L57 HydrophobicContact CE1-CD1 3.96Å; F53-L57 HydrophobicContact CE2-CD1 4.03Å; F53-L57 HydrophobicContact CE2-CD2 3.84Å; F53-L57 HydrophobicContact CE2-CG 3.73Å; F53-L57 HydrophobicContact CZ-CD1 3.63Å; F53-L57 HydrophobicContact CZ-CD2 3.94Å; F53-L57 HydrophobicContact CZ-CG 3.85Å; F53-L57 WeakPolarHBondContact O-CG 3.27Å; F53-L57 PolarHBondContact O-N 2.85Å; F53-I84 HydrophobicContact CB-CD1 4.2Å; F53-I84 HydrophobicContact CD1-CD1 3.26Å; F53-I84 HydrophobicContact CD1-CG1 4.37Å; F53-I84 HydrophobicContact CE1-CD1 3.71Å; F53-I84 HydrophobicContact CG-CD1 3.96Å; F53-T101 HydrophobicContact CE1-CG2 4.07Å; F53-T101 HydrophobicContact CE2-CG2 4.27Å; F53-T101 HydrophobicContact CZ-CG2 3.39Å; F53-Y104 HydrophobicContact CB-CD1 4.34Å; F53-Y104 HydrophobicContact CB-CE1 3.74Å; F53-Y104 HydrophobicContact CB-CE2 4.22Å; F53-Y104 AromaticContact CD2-CD1 3.37Å; F53-Y104 HydrophobicContact CD2-CD1 3.37Å; F53-Y104 AromaticContact CD2-CD2 3.81Å; F53-Y104 HydrophobicContact CD2-CD2 3.81Å; F53-Y104 AromaticContact CD2-CE1 3.69Å; F53-Y104 HydrophobicContact CD2-CE1 3.69Å; F53-Y104 HydrophobicContact CD2-CE2 4.1Å; F53-Y104 AromaticContact CD2-CG 3.42Å; F53-Y104 HydrophobicContact CD2-CG 3.42Å; F53-Y104 VanDerWaalsContact CD2-CG 3.42Å; F53-Y104 AromaticContact CE2-CD1 3.98Å; F53-Y104 HydrophobicContact CE2-CD1 3.98Å; F53-Y104 AromaticContact CE2-CG 3.9Å; F53-Y104 HydrophobicContact CE2-CG 3.9Å; F53-Y104 AromaticContact CG-CD1 3.98Å; F53-Y104 HydrophobicContact CG-CD1 3.98Å; F53-Y104 AromaticContact CG-CE1 3.86Å; F53-Y104 HydrophobicContact CG-CE1 3.86Å; F53-Y104 HydrophobicContact CG-CG 4.4Å; F53-Y104 PolarHBondContact N-OH 2.82Å
54G95Very high94.4Very high0 Ų059.6 Ų59.60%032%0.315CS..Hα-helixtrans-64.5-43.617500000113.7V50 N51 D52 L57 N58V50-G54 PolarHBondContact O-N 3.36Å; N51-G54 PolarHBondContact O-N 3.26Å; N51-G54 VanDerWaalsContact O-N 3.15Å; D52-G54 VanDerWaalsContact C-N 3.33Å; D52-G54 PolarHBondContact O-N 2.94Å; G54-L57 PolarHBondContact O-N 2.95Å; G54-N58 PolarHBondContact O-N 2.87Å; G54-N58 PolarHBondContact O-ND2 3.33Å
55T94.9Very high94.3Very high68 Ų6856.7 Ų56.742%0.41732%0.317SS..Hα-helixtrans-63.3-44.8174.654.80000110.9N51 D52 L57 N58 E59N51-T55 WeakPolarHBondContact O-CG2 3.26Å; N51-T55 PolarHBondContact O-N 3.48Å; N51-T55 PolarHBondContact O-OG1 3.34Å; D52-T55 WeakPolarHBondContact CA-OG1 3.35Å; D52-T55 PolarHBondContact O-N 3.47Å; D52-T55 PolarHBondContact O-OG1 3.01Å; T55-L57 VanDerWaalsContact C-N 3.31Å; T55-L57 PolarHBondContact O-N 2.98Å; T55-N58 WeakPolarHBondContact O-CB 3.44Å; T55-N58 PolarHBondContact O-N 3.14Å; T55-N58 VanDerWaalsContact O-N 3.14Å; T55-E59 WeakPolarHBondContact O-CG 3.4Å; T55-E59 PolarHBondContact O-N 3.07Å
56F96.6Very high94.4Very high3 Ų359 Ų591%0.01332%0.323CS..Hα-helixtrans-56-44.8174.8172.9-91000112.3D52 F53 E59 R60 L100 K103 Y104D52-F56 WeakPolarHBondContact O-CB 3.45Å; D52-F56 PolarHBondContact O-N 3.34Å; F53-F56 HydrophobicContact CD2-CD1 4.29Å; F53-F56 HydrophobicContact CE2-CD1 4.22Å; F53-F56 PolarHBondContact O-N 3.01Å; F56-E59 PolarHBondContact O-N 2.81Å; F56-R60 HydrophobicContact CD1-CG 4.46Å; F56-R60 HydrophobicContact CD2-CG 3.95Å; F56-R60 HydrophobicContact CE1-CB 4.35Å; F56-R60 HydrophobicContact CE1-CG 4.2Å; F56-R60 HydrophobicContact CE2-CG 3.7Å; F56-R60 HydrophobicContact CG-CG 4.35Å; F56-R60 HydrophobicContact CZ-CB 4.35Å; F56-R60 HydrophobicContact CZ-CG 3.83Å; F56-R60 VanDerWaalsContact O-CB 3.27Å; F56-R60 WeakPolarHBondContact O-CB 3.41Å; F56-R60 WeakPolarHBondContact O-CG 3.49Å; F56-R60 PolarHBondContact O-N 3.49Å; F56-L100 HydrophobicContact CE1-CB 4.46Å; F56-L100 WeakPolarHBondContact CE1-O 3.38Å; F56-K103 HydrophobicContact CZ-CB 4.19Å; F56-K103 HydrophobicContact CZ-CD 4.31Å; F56-K103 HydrophobicContact CZ-CG 4.12Å; F56-Y104 HydrophobicContact CB-CD2 3.81Å; F56-Y104 HydrophobicContact CB-CE2 4.1Å; F56-Y104 AromaticContact CD1-CD2 3.86Å; F56-Y104 HydrophobicContact CD1-CD2 3.86Å; F56-Y104 HydrophobicContact CD1-CG 4.2Å; F56-Y104 AromaticContact CD2-CD2 3.95Å; F56-Y104 HydrophobicContact CD2-CD2 3.95Å; F56-Y104 HydrophobicContact CE1-CD2 4.43Å; F56-Y104 HydrophobicContact CE1-CG 4.5Å; F56-Y104 HydrophobicContact CE2-CD2 4.48Å; F56-Y104 AromaticContact CG-CD2 3.59Å; F56-Y104 HydrophobicContact CG-CD2 3.59Å; F56-Y104 HydrophobicContact CG-CE2 4.36Å; F56-Y104 HydrophobicContact CG-CG 4.38Å
57L96.2Very high94.5Very high0 Ų059.5 Ų59.50%031%0.313CS..Hα-helixtrans-65.2-42.4177.7-71.5177.7000111.6L37 F53 G54 T55 E59 R60 I61 L77 I84 L100L37-L57 HydrophobicContact CD1-CD1 4.09Å; F53-L57 HydrophobicContact CD2-CG 4.25Å; F53-L57 HydrophobicContact CE1-CD1 3.96Å; F53-L57 HydrophobicContact CE2-CD1 4.03Å; F53-L57 HydrophobicContact CE2-CD2 3.84Å; F53-L57 HydrophobicContact CE2-CG 3.73Å; F53-L57 HydrophobicContact CZ-CD1 3.63Å; F53-L57 HydrophobicContact CZ-CD2 3.94Å; F53-L57 HydrophobicContact CZ-CG 3.85Å; F53-L57 WeakPolarHBondContact O-CG 3.27Å; F53-L57 PolarHBondContact O-N 2.85Å; G54-L57 PolarHBondContact O-N 2.95Å; T55-L57 VanDerWaalsContact C-N 3.31Å; T55-L57 PolarHBondContact O-N 2.98Å; L57-E59 VanDerWaalsContact C-N 3.29Å; L57-E59 PolarHBondContact O-N 3.41Å; L57-R60 PolarHBondContact O-N 2.94Å; L57-I61 HydrophobicContact CB-CD1 4.07Å; L57-I61 WeakPolarHBondContact O-CB 3.15Å; L57-I61 WeakPolarHBondContact O-CD1 3.18Å; L57-I61 WeakPolarHBondContact O-CG1 3.4Å; L57-I61 PolarHBondContact O-N 2.89Å; L57-L77 HydrophobicContact CB-CD1 3.47Å; L57-L77 VanDerWaalsContact CB-CD1 3.47Å; L57-L77 HydrophobicContact CD1-CD1 4.44Å; L57-L77 HydrophobicContact CD1-CD2 4.43Å; L57-I84 HydrophobicContact CD1-CD1 4.09Å; L57-I84 HydrophobicContact CD1-CG2 4.09Å; L57-L100 HydrophobicContact CD2-CB 3.72Å; L57-L100 HydrophobicContact CD2-CD1 3.98Å; L57-L100 HydrophobicContact CD2-CG 4.48Å
58N94.3Very high94.3Very high80 Ų8059.3 Ų59.343%0.42833%0.329SS..Hα-helixtrans-56.8-41.7176.4-87.2-40.5000112.6G54 T55 M70 L77G54-N58 PolarHBondContact O-N 2.87Å; G54-N58 PolarHBondContact O-ND2 3.33Å; T55-N58 WeakPolarHBondContact O-CB 3.44Å; T55-N58 PolarHBondContact O-N 3.14Å; T55-N58 VanDerWaalsContact O-N 3.14Å; N58-M70 WeakPolarHBondContact OD1-CE 3.49Å; N58-L77 WeakPolarHBondContact OD1-CD1 3.32Å
59E95.2Very high94.2Very high119 Ų11961.9 Ų61.956%0.55634%0.343SS*.Hα-helixtrans-75.6-33.1179.8-68.6175.3-177.900113.7T55 F56 L57 V67T55-E59 WeakPolarHBondContact O-CG 3.4Å; T55-E59 PolarHBondContact O-N 3.07Å; F56-E59 PolarHBondContact O-N 2.81Å; L57-E59 VanDerWaalsContact C-N 3.29Å; L57-E59 PolarHBondContact O-N 3.41Å; E59-V67 WeakPolarHBondContact O-CB 3.41Å; E59-V67 WeakPolarHBondContact O-CG1 3.41Å
60R95.9Very high94Very high96 Ų9658.1 Ų58.136%0.36232%0.323SS..Hα-helixtrans-101.2-17.3-167.9-62.8-59.9-169.6125.97.2114.7F56 L57 K62 Y96 L100F56-R60 HydrophobicContact CD1-CG 4.46Å; F56-R60 HydrophobicContact CD2-CG 3.95Å; F56-R60 HydrophobicContact CE1-CB 4.35Å; F56-R60 HydrophobicContact CE1-CG 4.2Å; F56-R60 HydrophobicContact CE2-CG 3.7Å; F56-R60 HydrophobicContact CG-CG 4.35Å; F56-R60 HydrophobicContact CZ-CB 4.35Å; F56-R60 HydrophobicContact CZ-CG 3.83Å; F56-R60 VanDerWaalsContact O-CB 3.27Å; F56-R60 WeakPolarHBondContact O-CB 3.41Å; F56-R60 WeakPolarHBondContact O-CG 3.49Å; F56-R60 PolarHBondContact O-N 3.49Å; L57-R60 PolarHBondContact O-N 2.94Å; R60-K62 PolarHBondContact O-N 3.41Å; R60-Y96 PolarHBondContact O-OH 2.8Å; R60-Y96 VanDerWaalsContact O-OH 3.12Å; R60-L100 HydrophobicContact CB-CD2 3.92Å
61I96.3Very high93.5Very high0 Ų062.3 Ų62.30%036%0.358CS..  trans-67.6126.6175.6-70.4164.3000109.5L57 V63 M70 L77 L86 F92 Y96 L100L57-I61 HydrophobicContact CB-CD1 4.07Å; L57-I61 WeakPolarHBondContact O-CB 3.15Å; L57-I61 WeakPolarHBondContact O-CD1 3.18Å; L57-I61 WeakPolarHBondContact O-CG1 3.4Å; L57-I61 PolarHBondContact O-N 2.89Å; I61-V63 HydrophobicContact CG2-CG2 4.38Å; I61-M70 HydrophobicContact CB-CE 4.36Å; I61-M70 HydrophobicContact CB-CG 4.14Å; I61-M70 HydrophobicContact CB-SD 3.36Å; I61-M70 WeakPolarHBondContact CB-SD 3.44Å; I61-M70 HydrophobicContact CD1-CE 3.87Å; I61-M70 HydrophobicContact CD1-SD 3.55Å; I61-M70 VanDerWaalsContact CD1-SD 3.55Å; I61-M70 HydrophobicContact CG1-SD 4.05Å; I61-M70 HydrophobicContact CG2-CG 3.95Å; I61-M70 HydrophobicContact CG2-SD 3.19Å; I61-M70 WeakPolarHBondContact CG2-SD 3.32Å; I61-L77 HydrophobicContact CD1-CD1 3.93Å; I61-L77 HydrophobicContact CD1-CD2 4.31Å; I61-L77 HydrophobicContact CD1-CG 4.33Å; I61-L86 HydrophobicContact CD1-CD1 3.76Å; I61-F92 HydrophobicContact CG2-CE2 3.83Å; I61-F92 HydrophobicContact CG2-CZ 4.37Å; I61-Y96 HydrophobicContact CG2-CE1 4.18Å; I61-L100 HydrophobicContact CB-CD1 4.4Å; I61-L100 HydrophobicContact CD1-CD1 4.47Å; I61-L100 HydrophobicContact CG1-CD1 3.4Å; I61-L100 VanDerWaalsContact CG1-CD1 3.4Å
62K94.5Very high93.2Very high113 Ų11361.8 Ų61.849%0.49137%0.368SS..EExtended strand (participates in β ladder)trans-98135.7173.2-66.3-179.2175.6-166.50110.2R60 K66 V67 Y96R60-K62 PolarHBondContact O-N 3.41Å; K62-K66 CarbonylContact C-O 3.59Å; K62-K66 VanDerWaalsContact CA-O 3.24Å; K62-K66 WeakPolarHBondContact CA-O 3.49Å; K62-V67 HydrophobicContact CD-CG1 4.46Å; K62-V67 HydrophobicContact CG-CG1 3.58Å; K62-Y96 WeakPolarHBondContact CB-OH 3.44Å; K62-Y96 PolarHBondContact N-OH 2.95Å
63V93.6Very high92.9Very high8 Ų860.5 Ų60.55%0.04836%0.361CS..EExtended strand (participates in β ladder)trans-122.1127.4166.3-170.60000107.5I61 G65 K66 M70 N73 V75 V90I61-V63 HydrophobicContact CG2-CG2 4.38Å; V63-G65 PolarHBondContact O-N 3.04Å; V63-K66 PolarHBondContact N-O 3.36Å; V63-K66 PolarHBondContact O-N 3.06Å; V63-M70 HydrophobicContact CG2-CG 4.31Å; V63-N73 HydrophobicContact CB-CB 4.26Å; V63-N73 HydrophobicContact CG1-CB 3.53Å; V63-N73 WeakPolarHBondContact CG1-ND2 3.48Å; V63-V75 HydrophobicContact CG2-CB 4.48Å; V63-V75 HydrophobicContact CG2-CG2 3.84Å; V63-V90 HydrophobicContact CG1-CG1 4.47Å
64N90.5Very high92.6Very high134 Ų13461.1 Ų61.172%0.71737%0.367SS*.THydrogen-bonded Turntrans52.538.1-173.2-59.6-22.9000113.6K66N64-K66 VanDerWaalsContact C-N 3.31Å; N64-K66 PolarHBondContact O-N 3.46Å
65G92.1Very high92.6Very high59 Ų5961.3 Ų61.361%0.60837%0.368SS*.THydrogen-bonded Turntrans84.3-10.5176.400000115.9V63V63-G65 PolarHBondContact O-N 3.04Å
66K94Very high92.6Very high146 Ų14664.1 Ų64.164%0.63538%0.375SS*.EExtended strand (participates in β ladder)trans-111.4142.5-178.7-63.5-175.8179.5-178.10112K62 V63 N64K62-K66 CarbonylContact C-O 3.59Å; K62-K66 VanDerWaalsContact CA-O 3.24Å; K62-K66 WeakPolarHBondContact CA-O 3.49Å; V63-K66 PolarHBondContact N-O 3.36Å; V63-K66 PolarHBondContact O-N 3.06Å; N64-K66 VanDerWaalsContact C-N 3.31Å; N64-K66 PolarHBondContact O-N 3.46Å
67V94.3Very high92.5Very high74 Ų7465.5 Ų65.545%0.44838%0.382SS..EExtended strand (participates in β ladder)trans-80.8160169.2-65.30000110.1E59 K62 N69E59-V67 WeakPolarHBondContact O-CB 3.41Å; E59-V67 WeakPolarHBondContact O-CG1 3.41Å; K62-V67 HydrophobicContact CD-CG1 4.46Å; K62-V67 HydrophobicContact CG-CG1 3.58Å; V67-N69 VanDerWaalsContact C-N 3.25Å; V67-N69 PolarHBondContact O-N 3.23Å; V67-N69 PolarHBondContact O-OD1 3.34Å
68G90.6Very high92.5Very high69 Ų6970.5 Ų70.571%0.71141%0.406SS*.SBendtrans81.3-6.1178.700000115.3
69N89Confident92.5Very high63 Ų6370.4 Ų70.434%0.33740%0.404SS..  trans-94.817.1-178.4-77.782.4000114.2V67 N73V67-N69 VanDerWaalsContact C-N 3.25Å; V67-N69 PolarHBondContact O-N 3.23Å; V67-N69 PolarHBondContact O-OD1 3.34Å; N69-N73 WeakPolarHBondContact O-CB 3.22Å; N69-N73 PolarHBondContact O-N 3.16Å; N69-N73 PolarHBondContact O-ND2 2.97Å
70M89.8Confident92.3Very high11 Ų1166.8 Ų66.85%0.05439%0.394CS..THydrogen-bonded Turntrans-65.9-55.3-174.6-72.4-125.7-64.600113.3N58 I61 V63 A72 N73 G74 V75 L77N58-M70 WeakPolarHBondContact OD1-CE 3.49Å; I61-M70 HydrophobicContact CB-CE 4.36Å; I61-M70 HydrophobicContact CB-CG 4.14Å; I61-M70 HydrophobicContact CB-SD 3.36Å; I61-M70 WeakPolarHBondContact CB-SD 3.44Å; I61-M70 HydrophobicContact CD1-CE 3.87Å; I61-M70 HydrophobicContact CD1-SD 3.55Å; I61-M70 VanDerWaalsContact CD1-SD 3.55Å; I61-M70 HydrophobicContact CG1-SD 4.05Å; I61-M70 HydrophobicContact CG2-CG 3.95Å; I61-M70 HydrophobicContact CG2-SD 3.19Å; I61-M70 WeakPolarHBondContact CG2-SD 3.32Å; V63-M70 HydrophobicContact CG2-CG 4.31Å; M70-A72 VanDerWaalsContact C-N 3.3Å; M70-A72 PolarHBondContact O-N 3.28Å; M70-N73 CarbonylContact O-C 3.59Å; M70-N73 PolarHBondContact O-N 3.13Å; M70-N73 VanDerWaalsContact O-N 3.09Å; M70-G74 PolarHBondContact O-N 3.46Å; M70-V75 CarbonylContact C-O 3.54Å; M70-V75 HydrophobicContact CB-CB 4.28Å; M70-V75 HydrophobicContact CE-CG1 4.45Å; M70-V75 HydrophobicContact CG-CB 4.49Å; M70-V75 PolarHBondContact O-N 3.39Å; M70-V75 VanDerWaalsContact O-N 3.08Å; M70-V75 HydrophobicContact SD-CB 3.92Å; M70-V75 HydrophobicContact SD-CG1 3.46Å; M70-V75 WeakPolarHBondContact SD-CG1 3.38Å; M70-L77 HydrophobicContact CE-CD1 3.74Å; M70-L77 HydrophobicContact CE-CG 3.9Å
71A85.2Confident92.1Very high95 Ų9571.6 Ų71.679%0.78542%0.418SS*.G310 helixtrans-59.9-41.6-175.900000111.9N73A71-N73 VanDerWaalsContact C-N 3.28Å; A71-N73 PolarHBondContact O-N 2.93Å
72A88.7Confident92Very high87 Ų8773.2 Ų73.272%0.71943%0.428SS*.G310 helixtrans-67-26.417900000113.6M70M70-A72 VanDerWaalsContact C-N 3.3Å; M70-A72 PolarHBondContact O-N 3.28Å
73N88.6Confident92Very high44 Ų4471.8 Ų71.824%0.23542%0.422CS..G310 helixtrans-106.516.9-175.9-68.5-54.9000113.4V63 N69 M70 A71 V75 V90V63-N73 HydrophobicContact CB-CB 4.26Å; V63-N73 HydrophobicContact CG1-CB 3.53Å; V63-N73 WeakPolarHBondContact CG1-ND2 3.48Å; N69-N73 WeakPolarHBondContact O-CB 3.22Å; N69-N73 PolarHBondContact O-N 3.16Å; N69-N73 PolarHBondContact O-ND2 2.97Å; M70-N73 CarbonylContact O-C 3.59Å; M70-N73 PolarHBondContact O-N 3.13Å; M70-N73 VanDerWaalsContact O-N 3.09Å; A71-N73 VanDerWaalsContact C-N 3.28Å; A71-N73 PolarHBondContact O-N 2.93Å; N73-V75 VanDerWaalsContact C-N 3.34Å; N73-V75 PolarHBondContact O-N 2.93Å; N73-V90 HydrophobicContact CB-CG2 4.42Å; N73-V90 WeakPolarHBondContact O-CG2 3.42Å
74G90.2Very high92.1Very high14 Ų1471.5 Ų71.514%0.14442%0.42CS..THydrogen-bonded Turntrans68.130.2175.200000114.1M70 S88 E89M70-G74 PolarHBondContact O-N 3.46Å; G74-S88 WeakPolarHBondContact O-CA 3.31Å; G74-E89 PolarHBondContact O-N 3.09Å
75V93.9Very high92.4Very high4 Ų467.2 Ų67.22%0.02440%0.397CS..EExtended strand (participates in β ladder)trans-101.5120.9166.1-174.90000108.5V63 M70 N73 L86 T87V63-V75 HydrophobicContact CG2-CB 4.48Å; V63-V75 HydrophobicContact CG2-CG2 3.84Å; M70-V75 CarbonylContact C-O 3.54Å; M70-V75 HydrophobicContact CB-CB 4.28Å; M70-V75 HydrophobicContact CE-CG1 4.45Å; M70-V75 HydrophobicContact CG-CB 4.49Å; M70-V75 PolarHBondContact O-N 3.39Å; M70-V75 VanDerWaalsContact O-N 3.08Å; M70-V75 HydrophobicContact SD-CB 3.92Å; M70-V75 HydrophobicContact SD-CG1 3.46Å; M70-V75 WeakPolarHBondContact SD-CG1 3.38Å; N73-V75 VanDerWaalsContact C-N 3.34Å; N73-V75 PolarHBondContact O-N 2.93Å; V75-L86 HydrophobicContact CG1-CD1 4.31Å; V75-L86 HydrophobicContact CG1-CD2 4.15Å; V75-L86 HydrophobicContact CG1-CG 4.21Å; V75-T87 CarbonylContact C-O 3.59Å; V75-T87 WeakPolarHBondContact CA-O 3.42Å
76K94.3Very high92.6Very high128 Ų12864.5 Ų64.556%0.55737%0.368SS*.EExtended strand (participates in β ladder)trans-121.3138.8-178.6-61.5-176.3-179.3-176.20110L86 T87K76-L86 WeakPolarHBondContact O-CA 3.3Å; K76-T87 PolarHBondContact N-O 3.46Å; K76-T87 PolarHBondContact O-N 3.12Å
77L95.1Very high92.6Very high31 Ų3158.6 Ų58.616%0.16234%0.344CS..EExtended strand (participates in β ladder)trans-111.9128.7170.7-74.6179000109.2L57 N58 I61 M70 I84 I85 L86L57-L77 HydrophobicContact CB-CD1 3.47Å; L57-L77 VanDerWaalsContact CB-CD1 3.47Å; L57-L77 HydrophobicContact CD1-CD1 4.44Å; L57-L77 HydrophobicContact CD1-CD2 4.43Å; N58-L77 WeakPolarHBondContact OD1-CD1 3.32Å; I61-L77 HydrophobicContact CD1-CD1 3.93Å; I61-L77 HydrophobicContact CD1-CD2 4.31Å; I61-L77 HydrophobicContact CD1-CG 4.33Å; M70-L77 HydrophobicContact CE-CD1 3.74Å; M70-L77 HydrophobicContact CE-CG 3.9Å; L77-I84 HydrophobicContact CD2-CG2 4.02Å; L77-I85 WeakPolarHBondContact CA-O 3.45Å; L77-L86 HydrophobicContact CD2-CB 3.77Å; L77-L86 HydrophobicContact CD2-CD1 3.8Å; L77-L86 HydrophobicContact CD2-CG 3.85Å
78E95.6Very high92.6Very high106 Ų10655.1 Ų55.150%0.49532%0.323SS..EExtended strand (participates in β ladder)trans-118128173.7-69170.9-169.500108.5I85E78-I85 HydrophobicContact CB-CB 4.28Å; E78-I85 PolarHBondContact N-O 3.06Å; E78-I85 PolarHBondContact O-N 3.18Å
79I95.3Very high92.7Very high78 Ų7855.7 Ų55.740%0.431%0.307SS..EExtended strand (participates in β ladder)trans-97.5119.2177.6-61.2172.1000107.8V50V50-I79 HydrophobicContact CB-CG2 4.41Å; V50-I79 HydrophobicContact CG1-CG2 3.63Å
80A91.7Very high92.8Very high42 Ų4254.8 Ų54.835%0.34730%0.304SS..EExtended strand (participates in β ladder)trans-104.7165.8164.300000109.2T82 K83A80-T82 VanDerWaalsContact C-N 3.26Å; A80-T82 PolarHBondContact O-N 2.99Å; A80-K83 CarbonylContact C-O 3.55Å; A80-K83 WeakPolarHBondContact CA-O 3.29Å; A80-K83 HydrophobicContact CB-CB 4.35Å; A80-K83 WeakPolarHBondContact CB-O 3.34Å; A80-K83 PolarHBondContact N-O 3.19Å; A80-K83 PolarHBondContact O-N 3.35Å
81K90.2Very high92.8Very high198 Ų19860.1 Ų60.186%0.86134%0.34SS*.THydrogen-bonded Turntrans-41.6-47.9-172.4-64.1-177.2178.5-176.60114.7
82T93.8Very high93.2Very high34 Ų3456.6 Ų56.621%0.20931%0.307CS..THydrogen-bonded Turntrans-128.710-177.754.60000113.1C39 V43 A80C39-T82 CarbonylContact C-O 3.56Å; C39-T82 PolarHBondContact N-O 3.34Å; V43-T82 HydrophobicContact CB-CG2 4.46Å; V43-T82 HydrophobicContact CG1-CG2 4.16Å; A80-T82 VanDerWaalsContact C-N 3.26Å; A80-T82 PolarHBondContact O-N 2.99Å
83K94.6Very high93.4Very high83 Ų8355.4 Ų55.436%0.36129%0.293SS..EExtended strand (participates in β ladder)trans-138.5142.8-172.6-54.7-171.8-178-163.30110.8L37 E38 A80L37-K83 CarbonylContact O-C 3.58Å; L37-K83 VanDerWaalsContact O-CA 3.29Å; L37-K83 WeakPolarHBondContact O-CA 3.24Å; E38-K83 HydrophobicContact CG-CD 4.01Å; E38-K83 HydrophobicContact CG-CG 4.2Å; E38-K83 WeakPolarHBondContact OE1-CE 3.42Å; E38-K83 IonicContact OE1-NZ 3.68Å; E38-K83 PolarHBondContact OE1-NZ 3.09Å; A80-K83 CarbonylContact C-O 3.55Å; A80-K83 WeakPolarHBondContact CA-O 3.29Å; A80-K83 HydrophobicContact CB-CB 4.35Å; A80-K83 WeakPolarHBondContact CB-O 3.34Å; A80-K83 PolarHBondContact N-O 3.19Å; A80-K83 PolarHBondContact O-N 3.35Å
84I96.2Very high93.7Very high1 Ų154.4 Ų54.41%0.00529%0.286CS..EExtended strand (participates in β ladder)trans-111.7128.8169.3-57.8-174.9000108.7L37 V50 F53 L57 L77L37-I84 HydrophobicContact CB-CB 4.28Å; L37-I84 PolarHBondContact N-O 2.86Å; L37-I84 PolarHBondContact O-N 3.36Å; V50-I84 HydrophobicContact CG1-CD1 3.99Å; V50-I84 HydrophobicContact CG1-CG1 3.68Å; F53-I84 HydrophobicContact CB-CD1 4.2Å; F53-I84 HydrophobicContact CD1-CD1 3.26Å; F53-I84 HydrophobicContact CD1-CG1 4.37Å; F53-I84 HydrophobicContact CE1-CD1 3.71Å; F53-I84 HydrophobicContact CG-CD1 3.96Å; L57-I84 HydrophobicContact CD1-CD1 4.09Å; L57-I84 HydrophobicContact CD1-CG2 4.09Å; L77-I84 HydrophobicContact CD2-CG2 4.02Å
85I96.6Very high94Very high45 Ų4563.2 Ų63.223%0.23132%0.315CS..EExtended strand (participates in β ladder)trans-109.4121.3179.8-52.9175.3000107.7L77 E78L77-I85 WeakPolarHBondContact CA-O 3.45Å; E78-I85 HydrophobicContact CB-CB 4.28Å; E78-I85 PolarHBondContact N-O 3.06Å; E78-I85 PolarHBondContact O-N 3.18Å
86L96Very high94.2Very high2 Ų265.4 Ų65.41%0.0132%0.323CS..EExtended strand (participates in β ladder)trans-104.6121.6172.5-172.2154.5000109.2K34 Y35 I61 V75 K76 L77 F92 L97K34-L86 CarbonylContact C-O 3.51Å; K34-L86 WeakPolarHBondContact CA-O 3.26Å; Y35-L86 HydrophobicContact CD2-CD2 4.48Å; Y35-L86 PolarHBondContact N-O 2.95Å; Y35-L86 PolarHBondContact O-N 2.8Å; I61-L86 HydrophobicContact CD1-CD1 3.76Å; V75-L86 HydrophobicContact CG1-CD1 4.31Å; V75-L86 HydrophobicContact CG1-CD2 4.15Å; V75-L86 HydrophobicContact CG1-CG 4.21Å; K76-L86 WeakPolarHBondContact O-CA 3.3Å; L77-L86 HydrophobicContact CD2-CB 3.77Å; L77-L86 HydrophobicContact CD2-CD1 3.8Å; L77-L86 HydrophobicContact CD2-CG 3.85Å; L86-F92 HydrophobicContact CD1-CD1 4.26Å; L86-F92 HydrophobicContact CD1-CE1 3.44Å; L86-F92 VanDerWaalsContact CD1-CE1 3.44Å; L86-F92 HydrophobicContact CD1-CE2 4.34Å; L86-F92 HydrophobicContact CD1-CZ 3.49Å; L86-F92 VanDerWaalsContact CD1-CZ 3.49Å; L86-F92 HydrophobicContact CD2-CD1 3.64Å; L86-F92 HydrophobicContact CD2-CE1 3.67Å; L86-F92 HydrophobicContact CD2-CG 4.23Å; L86-F92 HydrophobicContact CD2-CZ 4.29Å; L86-F92 HydrophobicContact CG-CE1 4.24Å; L86-L97 HydrophobicContact CB-CD1 4.27Å; L86-L97 HydrophobicContact CD1-CD1 4.3Å; L86-L97 HydrophobicContact CD1-CD2 3.59Å; L86-L97 HydrophobicContact CD1-CG 4.28Å
87T95.5Very high94.3Very high22 Ų2259.3 Ų59.314%0.13530%0.297CS..EExtended strand (participates in β ladder)trans-113125.1173.7-60.80000109.2T32 I33 K34 V75 K76T32-T87 HydrophobicContact CG2-CG2 3.4Å; I33-T87 WeakPolarHBondContact O-CA 3.47Å; K34-T87 HydrophobicContact CG-CG2 4.15Å; V75-T87 CarbonylContact C-O 3.59Å; V75-T87 WeakPolarHBondContact CA-O 3.42Å; K76-T87 PolarHBondContact N-O 3.46Å; K76-T87 PolarHBondContact O-N 3.12Å
88S94.4Very high94.4Very high0 Ų061.2 Ų61.20%030%0.304CS..EExtended strand (participates in β ladder)trans-130.1132.1-179.561.20000112.4I33 G74 V90 F92I33-S88 PolarHBondContact N-O 3.3Å; I33-S88 PolarHBondContact O-N 3.19Å; G74-S88 WeakPolarHBondContact O-CA 3.31Å; S88-V90 PolarHBondContact OG-O 3.23Å; S88-F92 VanDerWaalsContact OG-CB 3.26Å; S88-F92 WeakPolarHBondContact OG-CB 3.36Å
89E91.9Very high94.5Very high82 Ų8262 Ų6238%0.38330%0.303SS..SBendtrans-86.2-18.6170-67.7-175.5-156.500113.6K30 G74K30-E89 IonicContact NZ-OE2 3.7Å; K30-E89 PolarHBondContact NZ-OE2 3.02Å; G74-E89 PolarHBondContact O-N 3.09Å
90V90.9Very high94.6Very high43 Ų4358.3 Ų58.326%0.26129%0.285SS..SBendtrans-97.5152.6179.2174.50000109V63 N73 S88 F92V63-V90 HydrophobicContact CG1-CG1 4.47Å; N73-V90 HydrophobicContact CB-CG2 4.42Å; N73-V90 WeakPolarHBondContact O-CG2 3.42Å; S88-V90 PolarHBondContact OG-O 3.23Å; V90-F92 PolarHBondContact O-N 3.09Å
91P91Very high94.8Very high124 Ų12456.6 Ų56.681%0.80527%0.269SS*.  trans-52110.7174.3-28.936.9000111.7
92F92.6Very high95.1Very high21 Ų2150.8 Ų50.89%0.09224%0.244CC..  trans-129.8135.7-179.3-167.7-95.2000107.8Y35 I61 L86 S88 V90 Y96 L97Y35-F92 AromaticContact CD2-CD1 3.89Å; Y35-F92 HydrophobicContact CD2-CD1 3.89Å; Y35-F92 HydrophobicContact CD2-CE1 4.36Å; Y35-F92 AromaticContact CE2-CD1 3.88Å; Y35-F92 HydrophobicContact CE2-CD1 3.88Å; Y35-F92 WeakPolarHBondContact CE2-O 3.35Å; Y35-F92 PolarHBondContact OH-O 2.88Å; I61-F92 HydrophobicContact CG2-CE2 3.83Å; I61-F92 HydrophobicContact CG2-CZ 4.37Å; L86-F92 HydrophobicContact CD1-CD1 4.26Å; L86-F92 HydrophobicContact CD1-CE1 3.44Å; L86-F92 VanDerWaalsContact CD1-CE1 3.44Å; L86-F92 HydrophobicContact CD1-CE2 4.34Å; L86-F92 HydrophobicContact CD1-CZ 3.49Å; L86-F92 VanDerWaalsContact CD1-CZ 3.49Å; L86-F92 HydrophobicContact CD2-CD1 3.64Å; L86-F92 HydrophobicContact CD2-CE1 3.67Å; L86-F92 HydrophobicContact CD2-CG 4.23Å; L86-F92 HydrophobicContact CD2-CZ 4.29Å; L86-F92 HydrophobicContact CG-CE1 4.24Å; S88-F92 VanDerWaalsContact OG-CB 3.26Å; S88-F92 WeakPolarHBondContact OG-CB 3.36Å; V90-F92 PolarHBondContact O-N 3.09Å; F92-Y96 HydrophobicContact CD2-CD1 4.36Å; F92-Y96 AromaticContact CE2-CD1 3.49Å; F92-Y96 HydrophobicContact CE2-CD1 3.49Å; F92-Y96 VanDerWaalsContact CE2-CD1 3.49Å; F92-Y96 AromaticContact CE2-CE1 3.93Å; F92-Y96 HydrophobicContact CE2-CE1 3.93Å; F92-Y96 AromaticContact CZ-CD1 3.61Å; F92-Y96 HydrophobicContact CZ-CD1 3.61Å; F92-Y96 HydrophobicContact CZ-CE1 4.27Å; F92-Y96 HydrophobicContact CZ-CG 4.45Å; F92-L97 HydrophobicContact CE1-CD1 4.18Å; F92-L97 HydrophobicContact CE1-CD2 4.1Å; F92-L97 HydrophobicContact CE1-CG 3.77Å; F92-L97 HydrophobicContact CZ-CD2 4.25Å; F92-L97 HydrophobicContact CZ-CG 4.33Å
93S93.2Very high95.3Very high62 Ų6253 Ų5343%0.43425%0.251SS..  trans-101.4135.3-176.372.60000110.9R95 Y96S93-R95 PolarHBondContact O-N 2.94Å; S93-Y96 WeakPolarHBondContact O-CB 3.38Å; S93-Y96 PolarHBondContact O-N 3.38Å; S93-Y96 PolarHBondContact OG-N 3.21Å
94K95.1Very high95.5Very high23 Ų2349.2 Ų49.210%0.123%0.234CC..Hα-helixtrans-51.6-42.5170.2-175.5172.5-179.1-164.70111.7Y35 Y96 L97 K98 S120 K121 T123 Y124Y35-K94 HydrophobicContact CD1-CB 4Å; Y35-K94 HydrophobicContact CD1-CD 4.29Å; Y35-K94 HydrophobicContact CD1-CG 4.18Å; Y35-K94 HydrophobicContact CE1-CB 3.62Å; Y35-K94 HydrophobicContact CE1-CD 4.33Å; Y35-K94 HydrophobicContact CE1-CG 4.24Å; Y35-K94 HydrophobicContact CE2-CB 4.15Å; Y35-K94 HydrophobicContact CG-CB 4.44Å; Y35-K94 PolarHBondContact OH-N 2.92Å; K94-Y96 PolarHBondContact O-N 3.36Å; K94-Y96 VanDerWaalsContact O-N 3.09Å; K94-L97 WeakPolarHBondContact O-CB 3.01Å; K94-L97 PolarHBondContact O-N 3.46Å; K94-K98 PolarHBondContact O-N 2.83Å; K94-S120 PolarHBondContact NZ-O 2.83Å; K94-K121 WeakPolarHBondContact CD-O 3.35Å; K94-K121 WeakPolarHBondContact CE-O 3.37Å; K94-K121 PolarHBondContact NZ-O 2.71Å; K94-T123 WeakPolarHBondContact CE-O 3.45Å; K94-T123 PolarHBondContact NZ-O 3.09Å; K94-Y124 HydrophobicContact CB-CE2 4.43Å; K94-Y124 HydrophobicContact CD-CD2 4.4Å; K94-Y124 HydrophobicContact CD-CE2 3.94Å; K94-Y124 HydrophobicContact CG-CD2 3.91Å; K94-Y124 HydrophobicContact CG-CE2 3.22Å; K94-Y124 VanDerWaalsContact O-CE2 3.3Å; K94-Y124 WeakPolarHBondContact O-CE2 3.46Å
95R97Very high95.5Very high198 Ų19849.2 Ų49.275%0.74723%0.234SC*.Hα-helixtrans-53.4-34.1178.4-175.2-177.9-65.1-90.30.8113S93 L97 K98 Y99S93-R95 PolarHBondContact O-N 2.94Å; R95-L97 VanDerWaalsContact C-N 3.34Å; R95-K98 WeakPolarHBondContact O-CB 3.19Å; R95-K98 PolarHBondContact O-N 3.47Å; R95-Y99 PolarHBondContact O-N 3.44Å
96Y96.5Very high95.5Very high50 Ų5053.9 Ų53.920%0.19625%0.253CS..Hα-helixtrans-66.1-37.2178.1-174-148.3000112.2R60 I61 K62 F92 S93 K94 K98 Y99 L100R60-Y96 PolarHBondContact O-OH 2.8Å; R60-Y96 VanDerWaalsContact O-OH 3.12Å; I61-Y96 HydrophobicContact CG2-CE1 4.18Å; K62-Y96 WeakPolarHBondContact CB-OH 3.44Å; K62-Y96 PolarHBondContact N-OH 2.95Å; F92-Y96 HydrophobicContact CD2-CD1 4.36Å; F92-Y96 AromaticContact CE2-CD1 3.49Å; F92-Y96 HydrophobicContact CE2-CD1 3.49Å; F92-Y96 VanDerWaalsContact CE2-CD1 3.49Å; F92-Y96 AromaticContact CE2-CE1 3.93Å; F92-Y96 HydrophobicContact CE2-CE1 3.93Å; F92-Y96 AromaticContact CZ-CD1 3.61Å; F92-Y96 HydrophobicContact CZ-CD1 3.61Å; F92-Y96 HydrophobicContact CZ-CE1 4.27Å; F92-Y96 HydrophobicContact CZ-CG 4.45Å; S93-Y96 WeakPolarHBondContact O-CB 3.38Å; S93-Y96 PolarHBondContact O-N 3.38Å; S93-Y96 PolarHBondContact OG-N 3.21Å; K94-Y96 PolarHBondContact O-N 3.36Å; K94-Y96 VanDerWaalsContact O-N 3.09Å; Y96-K98 VanDerWaalsContact C-N 3.34Å; Y96-K98 PolarHBondContact O-N 3.15Å; Y96-Y99 AromaticContact CD2-CD1 3.89Å; Y96-Y99 HydrophobicContact CD2-CD1 3.89Å; Y96-Y99 AromaticContact CE2-CD1 3.79Å; Y96-Y99 HydrophobicContact CE2-CD1 3.79Å; Y96-Y99 HydrophobicContact CE2-CE1 4.2Å; Y96-Y99 WeakPolarHBondContact O-CB 3.45Å; Y96-Y99 PolarHBondContact O-N 3.36Å; Y96-L100 HydrophobicContact CD2-CD1 4.34Å; Y96-L100 HydrophobicContact CD2-CG 4.17Å; Y96-L100 HydrophobicContact CE1-CD1 4.17Å; Y96-L100 HydrophobicContact CE2-CD1 3.97Å; Y96-L100 HydrophobicContact CE2-CD2 4Å; Y96-L100 HydrophobicContact CE2-CG 3.82Å; Y96-L100 WeakPolarHBondContact O-CG 3.43Å; Y96-L100 PolarHBondContact O-N 3.49Å
97L96.1Very high95.4Very high1 Ų161 Ų611%0.00528%0.28CS..Hα-helixtrans-60.7-42.5170.6-71.8172.6000111.8Y35 L37 L86 F92 K94 R95 Y99 L100 T101 Y124Y35-L97 VanDerWaalsContact CB-CD1 3.48Å; Y35-L97 HydrophobicContact CD2-CD1 4Å; Y35-L97 HydrophobicContact CG-CD1 4.04Å; L37-L97 HydrophobicContact CD1-CD2 4.19Å; L37-L97 HydrophobicContact CD2-CB 4.25Å; L37-L97 HydrophobicContact CD2-CD1 4.47Å; L37-L97 HydrophobicContact CG-CD1 4.49Å; L86-L97 HydrophobicContact CB-CD1 4.27Å; L86-L97 HydrophobicContact CD1-CD1 4.3Å; L86-L97 HydrophobicContact CD1-CD2 3.59Å; L86-L97 HydrophobicContact CD1-CG 4.28Å; F92-L97 HydrophobicContact CE1-CD1 4.18Å; F92-L97 HydrophobicContact CE1-CD2 4.1Å; F92-L97 HydrophobicContact CE1-CG 3.77Å; F92-L97 HydrophobicContact CZ-CD2 4.25Å; F92-L97 HydrophobicContact CZ-CG 4.33Å; K94-L97 WeakPolarHBondContact O-CB 3.01Å; K94-L97 PolarHBondContact O-N 3.46Å; R95-L97 VanDerWaalsContact C-N 3.34Å; L97-Y99 VanDerWaalsContact C-N 3.27Å; L97-Y99 PolarHBondContact O-N 3.11Å; L97-L100 PolarHBondContact O-N 3.44Å; L97-T101 VanDerWaalsContact O-CG2 3.29Å; L97-T101 WeakPolarHBondContact O-CG2 3.4Å; L97-T101 PolarHBondContact O-N 2.97Å; L97-T101 PolarHBondContact O-OG1 3.4Å; L97-T101 VanDerWaalsContact O-OG1 3.09Å; L97-Y124 HydrophobicContact CB-CE2 4.49Å
98K97.2Very high95.4Very high70 Ų7062.8 Ų62.830%0.30429%0.288SS..Hα-helixtrans-59.7-38.7175.8-176.5171.8-177.2172.30112.3K94 R95 Y96 T101 K102 V116 Y124K94-K98 PolarHBondContact O-N 2.83Å; R95-K98 WeakPolarHBondContact O-CB 3.19Å; R95-K98 PolarHBondContact O-N 3.47Å; Y96-K98 VanDerWaalsContact C-N 3.34Å; Y96-K98 PolarHBondContact O-N 3.15Å; K98-T101 WeakPolarHBondContact CA-OG1 3.29Å; K98-T101 PolarHBondContact O-OG1 2.87Å; K98-K102 WeakPolarHBondContact O-CB 3.49Å; K98-K102 WeakPolarHBondContact O-CG 3.35Å; K98-K102 PolarHBondContact O-N 2.87Å; K98-K102 VanDerWaalsContact O-N 3.12Å; K98-V116 HydrophobicContact CG-CB 4.41Å; K98-V116 HydrophobicContact CG-CG1 4.11Å; K98-Y124 HydrophobicContact CB-CD2 4.46Å; K98-Y124 HydrophobicContact CB-CE1 4.32Å; K98-Y124 HydrophobicContact CB-CE2 3.66Å; K98-Y124 HydrophobicContact CD-CE1 4.06Å
99Y97.8Very high95.4Very high122 Ų12266.6 Ų66.648%0.47832%0.315SS..Hα-helixtrans-64.2-47.9175.1163.2-95.7000111.1R95 Y96 L97 K102 K103R95-Y99 PolarHBondContact O-N 3.44Å; Y96-Y99 AromaticContact CD2-CD1 3.89Å; Y96-Y99 HydrophobicContact CD2-CD1 3.89Å; Y96-Y99 AromaticContact CE2-CD1 3.79Å; Y96-Y99 HydrophobicContact CE2-CD1 3.79Å; Y96-Y99 HydrophobicContact CE2-CE1 4.2Å; Y96-Y99 WeakPolarHBondContact O-CB 3.45Å; Y96-Y99 PolarHBondContact O-N 3.36Å; L97-Y99 VanDerWaalsContact C-N 3.27Å; L97-Y99 PolarHBondContact O-N 3.11Å; Y99-K102 PolarHBondContact O-N 2.87Å; Y99-K103 HydrophobicContact CE1-CD 4.21Å; Y99-K103 WeakPolarHBondContact O-CB 3.11Å; Y99-K103 PolarHBondContact O-N 3.09Å; Y99-K103 PolarHBondContact OH-NZ 3.28Å
100L97.3Very high95.6Very high2 Ų263.2 Ų63.21%0.0130%0.3CS..Hα-helixtrans-66.8-43.6-178.4-69.2175.4000112.5F56 L57 R60 I61 Y96 L97 K102 K103 Y104F56-L100 HydrophobicContact CE1-CB 4.46Å; F56-L100 WeakPolarHBondContact CE1-O 3.38Å; L57-L100 HydrophobicContact CD2-CB 3.72Å; L57-L100 HydrophobicContact CD2-CD1 3.98Å; L57-L100 HydrophobicContact CD2-CG 4.48Å; R60-L100 HydrophobicContact CB-CD2 3.92Å; I61-L100 HydrophobicContact CB-CD1 4.4Å; I61-L100 HydrophobicContact CD1-CD1 4.47Å; I61-L100 HydrophobicContact CG1-CD1 3.4Å; I61-L100 VanDerWaalsContact CG1-CD1 3.4Å; Y96-L100 HydrophobicContact CD2-CD1 4.34Å; Y96-L100 HydrophobicContact CD2-CG 4.17Å; Y96-L100 HydrophobicContact CE1-CD1 4.17Å; Y96-L100 HydrophobicContact CE2-CD1 3.97Å; Y96-L100 HydrophobicContact CE2-CD2 4Å; Y96-L100 HydrophobicContact CE2-CG 3.82Å; Y96-L100 WeakPolarHBondContact O-CG 3.43Å; Y96-L100 PolarHBondContact O-N 3.49Å; L97-L100 PolarHBondContact O-N 3.44Å; L100-K102 VanDerWaalsContact C-N 3.35Å; L100-K102 PolarHBondContact O-N 3.41Å; L100-K103 WeakPolarHBondContact O-CB 3.4Å; L100-K103 PolarHBondContact O-N 2.79Å; L100-K103 VanDerWaalsContact O-N 3.13Å; L100-Y104 PolarHBondContact O-N 2.86Å
101T96.9Very high95.7Very high5 Ų565.6 Ų65.63%0.03130%0.304CS..Hα-helixtrans-58.2-48.117454.30000110.5L37 F53 L97 K98 K103 Y104 L105 V116L37-T101 HydrophobicContact CD1-CG2 3.72Å; L37-T101 HydrophobicContact CD2-CG2 4Å; L37-T101 HydrophobicContact CG-CG2 4.48Å; F53-T101 HydrophobicContact CE1-CG2 4.07Å; F53-T101 HydrophobicContact CE2-CG2 4.27Å; F53-T101 HydrophobicContact CZ-CG2 3.39Å; L97-T101 VanDerWaalsContact O-CG2 3.29Å; L97-T101 WeakPolarHBondContact O-CG2 3.4Å; L97-T101 PolarHBondContact O-N 2.97Å; L97-T101 PolarHBondContact O-OG1 3.4Å; L97-T101 VanDerWaalsContact O-OG1 3.09Å; K98-T101 WeakPolarHBondContact CA-OG1 3.29Å; K98-T101 PolarHBondContact O-OG1 2.87Å; T101-K103 VanDerWaalsContact C-N 3.26Å; T101-K103 PolarHBondContact O-N 3.42Å; T101-Y104 WeakPolarHBondContact O-CB 3.5Å; T101-Y104 PolarHBondContact O-N 2.79Å; T101-L105 VanDerWaalsContact O-CG 3.32Å; T101-L105 WeakPolarHBondContact O-CG 3.43Å; T101-L105 PolarHBondContact O-N 3Å; T101-V116 WeakPolarHBondContact OG1-CG2 3.42Å
102K97.4Very high95.7Very high77 Ų7765.2 Ų65.234%0.33530%0.295SS..Hα-helixtrans-60.3-33.3176.1-86.4-168.1175.3-1630113.5K98 Y99 L100 K106 R111 V116K98-K102 WeakPolarHBondContact O-CB 3.49Å; K98-K102 WeakPolarHBondContact O-CG 3.35Å; K98-K102 PolarHBondContact O-N 2.87Å; K98-K102 VanDerWaalsContact O-N 3.12Å; Y99-K102 PolarHBondContact O-N 2.87Å; L100-K102 VanDerWaalsContact C-N 3.35Å; L100-K102 PolarHBondContact O-N 3.41Å; K102-K106 PolarHBondContact O-N 2.83Å; K102-K106 VanDerWaalsContact O-N 3.16Å; K102-R111 PolarHBondContact O-NE 3.18Å; K102-R111 PolarHBondContact O-NH2 3.42Å; K102-V116 HydrophobicContact CG-CG2 4.01Å
103K97.7Very high95.6Very high79 Ų7970.6 Ų70.634%0.34332%0.315SS..Hα-helixtrans-71.2-43.2176.7-171.2174.7-171.3167.50111.2F56 Y99 L100 T101 K106 R107F56-K103 HydrophobicContact CZ-CB 4.19Å; F56-K103 HydrophobicContact CZ-CD 4.31Å; F56-K103 HydrophobicContact CZ-CG 4.12Å; Y99-K103 HydrophobicContact CE1-CD 4.21Å; Y99-K103 WeakPolarHBondContact O-CB 3.11Å; Y99-K103 PolarHBondContact O-N 3.09Å; Y99-K103 PolarHBondContact OH-NZ 3.28Å; L100-K103 WeakPolarHBondContact O-CB 3.4Å; L100-K103 PolarHBondContact O-N 2.79Å; L100-K103 VanDerWaalsContact O-N 3.13Å; T101-K103 VanDerWaalsContact C-N 3.26Å; T101-K103 PolarHBondContact O-N 3.42Å; K103-K106 PolarHBondContact O-N 2.82Å; K103-R107 PolarHBondContact O-N 2.8Å
104Y97.3Very high95.7Very high4 Ų467.7 Ų67.72%0.01630%0.295CS..Hα-helixtrans-60.6-49.4173.1179.7-105000111.8M48 N49 D52 F53 F56 L100 T101 K106 R107 N108M48-Y104 HydrophobicContact CE-CD1 4.19Å; M48-Y104 HydrophobicContact CE-CE1 3.86Å; M48-Y104 HydrophobicContact CG-CE1 4.16Å; M48-Y104 HydrophobicContact SD-CE1 4.14Å; N49-Y104 PolarHBondContact O-OH 2.64Å; D52-Y104 VanDerWaalsContact OD2-CE2 3.31Å; D52-Y104 WeakPolarHBondContact OD2-CE2 3.43Å; D52-Y104 PolarHBondContact OD2-OH 2.93Å; F53-Y104 HydrophobicContact CB-CD1 4.34Å; F53-Y104 HydrophobicContact CB-CE1 3.74Å; F53-Y104 HydrophobicContact CB-CE2 4.22Å; F53-Y104 AromaticContact CD2-CD1 3.37Å; F53-Y104 HydrophobicContact CD2-CD1 3.37Å; F53-Y104 AromaticContact CD2-CD2 3.81Å; F53-Y104 HydrophobicContact CD2-CD2 3.81Å; F53-Y104 AromaticContact CD2-CE1 3.69Å; F53-Y104 HydrophobicContact CD2-CE1 3.69Å; F53-Y104 HydrophobicContact CD2-CE2 4.1Å; F53-Y104 AromaticContact CD2-CG 3.42Å; F53-Y104 HydrophobicContact CD2-CG 3.42Å; F53-Y104 VanDerWaalsContact CD2-CG 3.42Å; F53-Y104 AromaticContact CE2-CD1 3.98Å; F53-Y104 HydrophobicContact CE2-CD1 3.98Å; F53-Y104 AromaticContact CE2-CG 3.9Å; F53-Y104 HydrophobicContact CE2-CG 3.9Å; F53-Y104 AromaticContact CG-CD1 3.98Å; F53-Y104 HydrophobicContact CG-CD1 3.98Å; F53-Y104 AromaticContact CG-CE1 3.86Å; F53-Y104 HydrophobicContact CG-CE1 3.86Å; F53-Y104 HydrophobicContact CG-CG 4.4Å; F53-Y104 PolarHBondContact N-OH 2.82Å; F56-Y104 HydrophobicContact CB-CD2 3.81Å; F56-Y104 HydrophobicContact CB-CE2 4.1Å; F56-Y104 AromaticContact CD1-CD2 3.86Å; F56-Y104 HydrophobicContact CD1-CD2 3.86Å; F56-Y104 HydrophobicContact CD1-CG 4.2Å; F56-Y104 AromaticContact CD2-CD2 3.95Å; F56-Y104 HydrophobicContact CD2-CD2 3.95Å; F56-Y104 HydrophobicContact CE1-CD2 4.43Å; F56-Y104 HydrophobicContact CE1-CG 4.5Å; F56-Y104 HydrophobicContact CE2-CD2 4.48Å; F56-Y104 AromaticContact CG-CD2 3.59Å; F56-Y104 HydrophobicContact CG-CD2 3.59Å; F56-Y104 HydrophobicContact CG-CE2 4.36Å; F56-Y104 HydrophobicContact CG-CG 4.38Å; L100-Y104 PolarHBondContact O-N 2.86Å; T101-Y104 WeakPolarHBondContact O-CB 3.5Å; T101-Y104 PolarHBondContact O-N 2.79Å; Y104-K106 VanDerWaalsContact C-N 3.25Å; Y104-K106 PolarHBondContact O-N 3Å; Y104-R107 WeakPolarHBondContact O-CB 3.32Å; Y104-R107 PolarHBondContact O-N 2.88Å; Y104-N108 VanDerWaalsContact CE2-ND2 3.26Å; Y104-N108 WeakPolarHBondContact CE2-ND2 3.32Å; Y104-N108 PolarHBondContact O-N 2.97Å; Y104-N108 VanDerWaalsContact O-N 3.09Å; Y104-N108 PolarHBondContact OH-ND2 2.82Å
105L96.4Very high95.7Very high1 Ų170.1 Ų70.11%0.00530%0.303CS..Hα-helixtrans-57.8-36.9176.9-68176.2000112.4M48 T101 S109 L110 R111 L114 V116 L126M48-L105 HydrophobicContact CE-CD2 3.42Å; M48-L105 VanDerWaalsContact CE-CD2 3.42Å; T101-L105 VanDerWaalsContact O-CG 3.32Å; T101-L105 WeakPolarHBondContact O-CG 3.43Å; T101-L105 PolarHBondContact O-N 3Å; L105-S109 CarbonylContact O-C 3.55Å; L105-S109 PolarHBondContact O-N 2.89Å; L105-L110 HydrophobicContact CB-CB 4.36Å; L105-L110 HydrophobicContact CD2-CB 3.66Å; L105-L110 HydrophobicContact CD2-CD1 3.96Å; L105-L110 HydrophobicContact CD2-CG 4.48Å; L105-L110 PolarHBondContact O-N 3.13Å; L105-R111 HydrophobicContact CB-CG 4.21Å; L105-L114 HydrophobicContact CD1-CB 4.35Å; L105-L114 HydrophobicContact CD2-CB 4.32Å; L105-L114 HydrophobicContact CD2-CD1 3.89Å; L105-V116 HydrophobicContact CD1-CG2 3.81Å; L105-L126 HydrophobicContact CD1-CD2 4.18Å
106K96.4Very high95.7Very high144 Ų14461.1 Ų61.163%0.62627%0.27SS*.Hα-helixtrans-72.1-35.8176.7-176.458.5177.9175.60112.3K102 K103 Y104 N108 S109 R111K102-K106 PolarHBondContact O-N 2.83Å; K102-K106 VanDerWaalsContact O-N 3.16Å; K103-K106 PolarHBondContact O-N 2.82Å; Y104-K106 VanDerWaalsContact C-N 3.25Å; Y104-K106 PolarHBondContact O-N 3Å; K106-N108 VanDerWaalsContact C-N 3.27Å; K106-N108 PolarHBondContact O-N 3.11Å; K106-S109 PolarHBondContact O-N 3.44Å; K106-R111 HydrophobicContact CB-CG 4.09Å; K106-R111 HydrophobicContact CD-CG 4.27Å
107R95.7Very high95.7Very high152 Ų15260.6 Ų60.657%0.57427%0.272SS*.Hα-helixtrans-62.3-37.4176.1-177.3-175.8-179.2-177.50111.6K103 Y104K103-R107 PolarHBondContact O-N 2.8Å; Y104-R107 WeakPolarHBondContact O-CB 3.32Å; Y104-R107 PolarHBondContact O-N 2.88Å
108N95.3Very high95.7Very high58 Ų5863.4 Ų63.431%0.3130%0.295SS..THydrogen-bonded Turntrans-98.313.3-177.7-60.9-10.1000112.8Y104 K106 L110Y104-N108 VanDerWaalsContact CE2-ND2 3.26Å; Y104-N108 WeakPolarHBondContact CE2-ND2 3.32Å; Y104-N108 PolarHBondContact O-N 2.97Å; Y104-N108 VanDerWaalsContact O-N 3.09Å; Y104-N108 PolarHBondContact OH-ND2 2.82Å; K106-N108 VanDerWaalsContact C-N 3.27Å; K106-N108 PolarHBondContact O-N 3.11Å; N108-L110 HydrophobicContact CB-CD1 4.15Å; N108-L110 HydrophobicContact CB-CG 4.09Å; N108-L110 PolarHBondContact O-N 2.91Å; N108-L110 VanDerWaalsContact O-N 3.09Å
109S94.4Very high95.6Very high80 Ų8063.1 Ų63.156%0.55930%0.302SS*.THydrogen-bonded Turntrans54.625.3-178.5-57.10000115.5L105 K106 R111 W113L105-S109 CarbonylContact O-C 3.55Å; L105-S109 PolarHBondContact O-N 2.89Å; K106-S109 PolarHBondContact O-N 3.44Å; S109-R111 VanDerWaalsContact C-N 3.31Å; S109-R111 PolarHBondContact O-N 3.43Å; S109-W113 WeakPolarHBondContact O-CZ3 3.16Å
110L94.5Very high95.5Very high11 Ų1160.1 Ų60.16%0.05830%0.299CS..THydrogen-bonded Turntrans-87.89-178.4-64.2176.2000114.1I47 M48 L105 N108 D112 W113 L114I47-L110 HydrophobicContact CB-CD2 4.46Å; I47-L110 HydrophobicContact CD1-CD2 4.39Å; M48-L110 HydrophobicContact CB-CD1 4.5Å; M48-L110 HydrophobicContact CE-CD1 3.87Å; L105-L110 HydrophobicContact CB-CB 4.36Å; L105-L110 HydrophobicContact CD2-CB 3.66Å; L105-L110 HydrophobicContact CD2-CD1 3.96Å; L105-L110 HydrophobicContact CD2-CG 4.48Å; L105-L110 PolarHBondContact O-N 3.13Å; N108-L110 HydrophobicContact CB-CD1 4.15Å; N108-L110 HydrophobicContact CB-CG 4.09Å; N108-L110 PolarHBondContact O-N 2.91Å; N108-L110 VanDerWaalsContact O-N 3.09Å; L110-D112 VanDerWaalsContact C-N 3.29Å; L110-D112 PolarHBondContact O-N 3.08Å; L110-W113 HydrophobicContact CD2-CE3 3.86Å; L110-W113 HydrophobicContact CD2-CZ3 3.96Å; L110-L114 HydrophobicContact CB-CD1 4.26Å; L110-L114 HydrophobicContact CD1-CD1 4.4Å; L110-L114 PolarHBondContact O-N 2.98Å; L110-L114 VanDerWaalsContact O-N 3.11Å
111R93Very high95.4Very high93 Ų9368.8 Ų68.835%0.35134%0.336SS..THydrogen-bonded Turntrans-73-22.2-173.4-82.1-65.6-160.299.718.8113.9K102 L105 K106 S109 F129K102-R111 PolarHBondContact O-NE 3.18Å; K102-R111 PolarHBondContact O-NH2 3.42Å; L105-R111 HydrophobicContact CB-CG 4.21Å; K106-R111 HydrophobicContact CB-CG 4.09Å; K106-R111 HydrophobicContact CD-CG 4.27Å; S109-R111 VanDerWaalsContact C-N 3.31Å; S109-R111 PolarHBondContact O-N 3.43Å; R111-F129 WeakPolarHBondContact O-CE2 3.17Å
112D91Very high95.3Very high116 Ų11671.8 Ų71.862%0.6235%0.353SS*.THydrogen-bonded Turntrans-84.3-26-174.3-54.1-22.9000110.5L110 F129L110-D112 VanDerWaalsContact C-N 3.29Å; L110-D112 PolarHBondContact O-N 3.08Å; D112-F129 WeakPolarHBondContact O-CD2 3.22Å
113W92.2Very high95.3Very high134 Ų13468.8 Ų68.851%0.50834%0.341SS..THydrogen-bonded Turntrans-96.5-35.7177.4-53.2-65.3000112.9S109 L110 Y128 F129S109-W113 WeakPolarHBondContact O-CZ3 3.16Å; L110-W113 HydrophobicContact CD2-CE3 3.86Å; L110-W113 HydrophobicContact CD2-CZ3 3.96Å; W113-Y128 HydrophobicContact CB-CD1 4.09Å; W113-Y128 HydrophobicContact CB-CE1 4.09Å; W113-Y128 CarbonylContact O-C 3.6Å; W113-Y128 VanDerWaalsContact O-CA 3.22Å; W113-Y128 WeakPolarHBondContact O-CA 3.29Å; W113-Y128 WeakPolarHBondContact O-CD1 3.39Å; W113-F129 WeakPolarHBondContact O-CD2 2.99Å; W113-F129 PolarHBondContact O-N 3.06Å
114L94.8Very high95.3Very high2 Ų266.1 Ų66.11%0.0133%0.329CS..EExtended strand (participates in β ladder)trans-116.8133.7-168-60173.5000113.8P42 I47 M48 L105 L110 R127 Y128P42-L114 HydrophobicContact CB-CD1 3.66Å; P42-L114 HydrophobicContact CB-CD2 4.2Å; P42-L114 HydrophobicContact CG-CD1 4.13Å; P42-L114 HydrophobicContact CG-CD2 4.49Å; I47-L114 HydrophobicContact CD1-CD1 4.01Å; I47-L114 HydrophobicContact CD1-CD2 4.47Å; I47-L114 HydrophobicContact CD1-CG 4.38Å; M48-L114 HydrophobicContact CE-CD1 4.21Å; L105-L114 HydrophobicContact CD1-CB 4.35Å; L105-L114 HydrophobicContact CD2-CB 4.32Å; L105-L114 HydrophobicContact CD2-CD1 3.89Å; L110-L114 HydrophobicContact CB-CD1 4.26Å; L110-L114 HydrophobicContact CD1-CD1 4.4Å; L110-L114 PolarHBondContact O-N 2.98Å; L110-L114 VanDerWaalsContact O-N 3.11Å; L114-R127 WeakPolarHBondContact CA-O 3.29Å; L114-Y128 HydrophobicContact CD2-CD1 3.66Å; L114-Y128 HydrophobicContact CD2-CD2 4.48Å; L114-Y128 HydrophobicContact CD2-CE1 3.57Å; L114-Y128 HydrophobicContact CD2-CE2 4.43Å; L114-Y128 HydrophobicContact CD2-CG 4.12Å; L114-Y128 HydrophobicContact CG-CE1 4.4Å
115R94.8Very high95.3Very high74 Ų7467.6 Ų67.628%0.27934%0.336SS..EExtended strand (participates in β ladder)trans-114.1141.5167.661.4170.9-169.8-78.72.5112.6V117 R127 Y128 F129R115-V117 HydrophobicContact CG-CG2 3.78Å; R115-R127 HydrophobicContact CG-CB 4.26Å; R115-R127 WeakPolarHBondContact CG-O 3.4Å; R115-R127 PolarHBondContact N-O 3.13Å; R115-R127 PolarHBondContact O-N 3.25Å; R115-Y128 PolarHBondContact NH1-O 3.09Å; R115-F129 HydrophobicContact CB-CE1 4.09Å; R115-F129 HydrophobicContact CB-CE2 4.22Å; R115-F129 HydrophobicContact CB-CZ 3.78Å; R115-F129 HydrophobicContact CG-CE1 4.33Å; R115-F129 HydrophobicContact CG-CZ 4.43Å
116V96.6Very high95.3Very high9 Ų967.9 Ų67.96%0.05534%0.337CS..EExtended strand (participates in β ladder)trans-88.3109.5174.6-171.90000109.6K98 T101 K102 L105 Y124 L126K98-V116 HydrophobicContact CG-CB 4.41Å; K98-V116 HydrophobicContact CG-CG1 4.11Å; T101-V116 WeakPolarHBondContact OG1-CG2 3.42Å; K102-V116 HydrophobicContact CG-CG2 4.01Å; L105-V116 HydrophobicContact CD1-CG2 3.81Å; V116-Y124 HydrophobicContact CG1-CD1 4.02Å; V116-Y124 HydrophobicContact CG1-CG 3.98Å; V116-L126 HydrophobicContact CB-CD2 4.32Å; V116-L126 HydrophobicContact CG1-CD2 4.5Å; V116-L126 HydrophobicContact CG2-CD2 3.66Å
117V96.2Very high95.1Very high39 Ų3965.7 Ų65.724%0.23633%0.325CS..EExtended strand (participates in β ladder)trans-114.6141.5-176-177.90000110.2R115 S119 Y124 E125 R127R115-V117 HydrophobicContact CG-CG2 3.78Å; V117-S119 PolarHBondContact O-N 3.22Å; V117-Y124 CarbonylContact O-C 3.57Å; V117-Y124 VanDerWaalsContact O-CA 3.32Å; V117-Y124 WeakPolarHBondContact O-CA 3.29Å; V117-Y124 WeakPolarHBondContact O-CD1 2.83Å; V117-E125 PolarHBondContact N-O 3.5Å; V117-E125 PolarHBondContact O-N 3.14Å; V117-R127 HydrophobicContact CG2-CB 4.37Å; V117-R127 HydrophobicContact CG2-CG 4.41Å
118A97.2Very high95.1Very high60 Ų6061.8 Ų61.850%0.49631%0.311SS..EExtended strand (participates in β ladder)trans-79.1116.1172.500000109Y124A118-Y124 HydrophobicContact CB-CD1 3.97Å; A118-Y124 HydrophobicContact CB-CE1 3.84Å
119S95.5Very high94.8Very high64 Ų6463.5 Ų63.545%0.44832%0.315SS..SBendtrans-84.9-42.2175.81780000111.1V117 T123V117-S119 PolarHBondContact O-N 3.22Å; S119-T123 PolarHBondContact N-O 2.92Å; S119-T123 VanDerWaalsContact N-O 3.13Å
120S95.7Very high94.3Very high58 Ų5867.4 Ų67.441%0.40633%0.325SS..SBendtrans-135.6-178.117576.60000110.8K94 D122 T123K94-S120 PolarHBondContact NZ-O 2.83Å; S120-D122 PolarHBondContact O-N 3.18Å; S120-D122 PolarHBondContact OG-N 3.37Å; S120-T123 PolarHBondContact N-O 3Å; S120-T123 WeakPolarHBondContact OG-CB 3.22Å; S120-T123 PolarHBondContact OG-N 3.24Å; S120-T123 VanDerWaalsContact OG-N 3.08Å; S120-T123 PolarHBondContact OG-OG1 2.82Å; S120-T123 VanDerWaalsContact OG-OG1 3.06Å
121K94.9Very high93.2Very high184 Ų18473.2 Ų73.280%0.836%0.355SS*.SBendtrans-54.7-41.5175.6-173.2178.1178-178.20112K94K94-K121 WeakPolarHBondContact CD-O 3.35Å; K94-K121 WeakPolarHBondContact CE-O 3.37Å; K94-K121 PolarHBondContact NZ-O 2.71Å
122D95.3Very high92.1Very high69 Ų6973.9 Ų73.937%0.36937%0.365SS..SBendtrans-109-2.2-172.8-57.9-42.4000114Y35 N36 S120Y35-D122 WeakPolarHBondContact CA-O 3.41Å; Y35-D122 HydrophobicContact CD1-CB 4.09Å; Y35-D122 HydrophobicContact CE1-CB 4.48Å; N36-D122 PolarHBondContact N-O 3.22Å; S120-D122 PolarHBondContact O-N 3.18Å; S120-D122 PolarHBondContact OG-N 3.37Å
123T97.2Very high90.7Very high14 Ų1477 Ų779%0.08638%0.376CS..EExtended strand (participates in β ladder)trans-116.1134-177.5-540000112.5N36 E38 K94 S119 S120N36-T123 HydrophobicContact CB-CG2 4.02Å; N36-T123 CarbonylContact O-C 3.57Å; N36-T123 WeakPolarHBondContact O-CA 3.19Å; E38-T123 HydrophobicContact CG-CG2 3.75Å; K94-T123 WeakPolarHBondContact CE-O 3.45Å; K94-T123 PolarHBondContact NZ-O 3.09Å; S119-T123 PolarHBondContact N-O 2.92Å; S119-T123 VanDerWaalsContact N-O 3.13Å; S120-T123 PolarHBondContact N-O 3Å; S120-T123 WeakPolarHBondContact OG-CB 3.22Å; S120-T123 PolarHBondContact OG-N 3.24Å; S120-T123 VanDerWaalsContact OG-N 3.08Å; S120-T123 PolarHBondContact OG-OG1 2.82Å; S120-T123 VanDerWaalsContact OG-OG1 3.06Å
124Y97.9Very high89.3Confident23 Ų2377.3 Ų77.39%0.0939%0.387CS..EExtended strand (participates in β ladder)trans-104.1154.6158.1-70.7-65000110.5N36 L37 E38 K94 L97 K98 V116 V117 A118N36-Y124 PolarHBondContact O-N 2.71Å; L37-Y124 HydrophobicContact CD2-CD2 3.86Å; L37-Y124 HydrophobicContact CD2-CG 4.28Å; E38-Y124 PolarHBondContact N-O 2.93Å; K94-Y124 HydrophobicContact CB-CE2 4.43Å; K94-Y124 HydrophobicContact CD-CD2 4.4Å; K94-Y124 HydrophobicContact CD-CE2 3.94Å; K94-Y124 HydrophobicContact CG-CD2 3.91Å; K94-Y124 HydrophobicContact CG-CE2 3.22Å; K94-Y124 VanDerWaalsContact O-CE2 3.3Å; K94-Y124 WeakPolarHBondContact O-CE2 3.46Å; L97-Y124 HydrophobicContact CB-CE2 4.49Å; K98-Y124 HydrophobicContact CB-CD2 4.46Å; K98-Y124 HydrophobicContact CB-CE1 4.32Å; K98-Y124 HydrophobicContact CB-CE2 3.66Å; K98-Y124 HydrophobicContact CD-CE1 4.06Å; V116-Y124 HydrophobicContact CG1-CD1 4.02Å; V116-Y124 HydrophobicContact CG1-CG 3.98Å; V117-Y124 CarbonylContact O-C 3.57Å; V117-Y124 VanDerWaalsContact O-CA 3.32Å; V117-Y124 WeakPolarHBondContact O-CA 3.29Å; V117-Y124 WeakPolarHBondContact O-CD1 2.83Å; A118-Y124 HydrophobicContact CB-CD1 3.97Å; A118-Y124 HydrophobicContact CB-CE1 3.84Å
125E96.2Very high87.6Confident35 Ų3584.2 Ų84.216%0.16443%0.425CS..EExtended strand (participates in β ladder)trans-131.2140.3177.7-169.6-168.5142.200108.6E38 V117 R127E38-E125 HydrophobicContact CB-CB 4.47Å; E38-E125 HydrophobicContact CB-CG 4.29Å; E38-E125 WeakPolarHBondContact O-CA 3.25Å; V117-E125 PolarHBondContact N-O 3.5Å; V117-E125 PolarHBondContact O-N 3.14Å; E125-R127 HydrophobicContact CG-CG 4.21Å; E125-R127 WeakPolarHBondContact OE1-CG 3.43Å; E125-R127 IonicContact OE1-CZ 3.41Å; E125-R127 IonicContact OE1-NE 2.68Å; E125-R127 PolarHBondContact OE1-NE 2.57Å; E125-R127 IonicContact OE1-NH2 2.78Å; E125-R127 IonicContact OE2-CZ 2.71Å; E125-R127 IonicContact OE2-NE 2.89Å; E125-R127 PolarHBondContact OE2-NE 3.35Å; E125-R127 VanDerWaalsContact OE2-NE 3.14Å; E125-R127 IonicContact OE2-NH2 2.93Å; E125-R127 PolarHBondContact OE2-NH2 3.21Å
126L95.9Very high85.8Confident6 Ų689.4 Ų89.43%0.03145%0.452CS..EExtended strand (participates in β ladder)trans-87.5118169.2-62.3-176.5000109.1E38 C39 P42 M48 L105 V116E38-L126 PolarHBondContact O-N 2.78Å; C39-L126 HydrophobicContact CB-CD1 4.06Å; P42-L126 HydrophobicContact CG-CB 4.09Å; P42-L126 HydrophobicContact CG-CD1 3.88Å; M48-L126 HydrophobicContact CE-CD1 3.52Å; M48-L126 HydrophobicContact SD-CD1 3.73Å; L105-L126 HydrophobicContact CD1-CD2 4.18Å; V116-L126 HydrophobicContact CB-CD2 4.32Å; V116-L126 HydrophobicContact CG1-CD2 4.5Å; V116-L126 HydrophobicContact CG2-CD2 3.66Å
127R94Very high83.9Confident98 Ų9896.7 Ų96.737%0.3749%0.491SS..EExtended strand (participates in β ladder)trans-118.4143.3-180-65.8-168.6177.2-179.16111.2L114 R115 V117 E125L114-R127 WeakPolarHBondContact CA-O 3.29Å; R115-R127 HydrophobicContact CG-CB 4.26Å; R115-R127 WeakPolarHBondContact CG-O 3.4Å; R115-R127 PolarHBondContact N-O 3.13Å; R115-R127 PolarHBondContact O-N 3.25Å; V117-R127 HydrophobicContact CG2-CB 4.37Å; V117-R127 HydrophobicContact CG2-CG 4.41Å; E125-R127 HydrophobicContact CG-CG 4.21Å; E125-R127 WeakPolarHBondContact OE1-CG 3.43Å; E125-R127 IonicContact OE1-CZ 3.41Å; E125-R127 IonicContact OE1-NE 2.68Å; E125-R127 PolarHBondContact OE1-NE 2.57Å; E125-R127 IonicContact OE1-NH2 2.78Å; E125-R127 IonicContact OE2-CZ 2.71Å; E125-R127 IonicContact OE2-NE 2.89Å; E125-R127 PolarHBondContact OE2-NE 3.35Å; E125-R127 VanDerWaalsContact OE2-NE 3.14Å; E125-R127 IonicContact OE2-NH2 2.93Å; E125-R127 PolarHBondContact OE2-NH2 3.21Å
128Y94Very high81.8Confident71 Ų7199.8 Ų99.828%0.27852%0.52SS..EExtended strand (participates in β ladder)trans-67.5148.5170.1-74.4-73000112N41 D45 I47 W113 L114 R115N41-Y128 HydrophobicContact CB-CD2 4.2Å; N41-Y128 HydrophobicContact CB-CE2 3.84Å; D45-Y128 WeakPolarHBondContact OD2-CE2 3.43Å; D45-Y128 VanDerWaalsContact OD2-CZ 3.25Å; D45-Y128 PolarHBondContact OD2-OH 2.94Å; I47-Y128 HydrophobicContact CD1-CE1 3.95Å; I47-Y128 WeakPolarHBondContact CD1-OH 3.21Å; W113-Y128 HydrophobicContact CB-CD1 4.09Å; W113-Y128 HydrophobicContact CB-CE1 4.09Å; W113-Y128 CarbonylContact O-C 3.6Å; W113-Y128 VanDerWaalsContact O-CA 3.22Å; W113-Y128 WeakPolarHBondContact O-CA 3.29Å; W113-Y128 WeakPolarHBondContact O-CD1 3.39Å; L114-Y128 HydrophobicContact CD2-CD1 3.66Å; L114-Y128 HydrophobicContact CD2-CD2 4.48Å; L114-Y128 HydrophobicContact CD2-CE1 3.57Å; L114-Y128 HydrophobicContact CD2-CE2 4.43Å; L114-Y128 HydrophobicContact CD2-CG 4.12Å; L114-Y128 HydrophobicContact CG-CE1 4.4Å; R115-Y128 PolarHBondContact NH1-O 3.09Å
129F90.4Very high79.7Confident93 Ų93102.5 Ų102.541%0.40854%0.535SS..  trans-61.6134.2160.3-67.7-79.8000109.9R111 D112 W113 R115 I131R111-F129 WeakPolarHBondContact O-CE2 3.17Å; D112-F129 WeakPolarHBondContact O-CD2 3.22Å; W113-F129 WeakPolarHBondContact O-CD2 2.99Å; W113-F129 PolarHBondContact O-N 3.06Å; R115-F129 HydrophobicContact CB-CE1 4.09Å; R115-F129 HydrophobicContact CB-CE2 4.22Å; R115-F129 HydrophobicContact CB-CZ 3.78Å; R115-F129 HydrophobicContact CG-CE1 4.33Å; R115-F129 HydrophobicContact CG-CZ 4.43Å; F129-I131 HydrophobicContact CB-CG1 4.26Å; F129-I131 PolarHBondContact O-N 2.85Å
130Q82.2Confident77.8Confident163 Ų163107 Ų10776%0.76256%0.555SS**  trans-84.395.5166.3-70.6166.6-56.300104N132Q130-N132 PolarHBondContact O-N 3.21Å
131I73.3Confident75.9Confident133 Ų133111.4 Ų111.468%0.68257%0.573SS**  trans-80.797.1172.9-56.7173.2000104.5F129F129-I131 HydrophobicContact CB-CG1 4.26Å; F129-I131 PolarHBondContact O-N 2.85Å
132N69.7Low74.1Confident107 Ų107112.2 Ų112.257%0.57258%0.58SS**  trans-68.5132.2158.4-66.4-0.1000104.9Q130 D134Q130-N132 PolarHBondContact O-N 3.21Å; N132-D134 PolarHBondContact O-N 3.29Å
133Q61.3Low72.4Confident180 Ų180117.7 Ų117.784%0.84162%0.624SS**THydrogen-bonded Turntrans-63.67.1-177.3-82.1175.1-1700114.1
134D62.8Low71.2Confident141 Ų141122.9 Ų122.975%0.75465%0.651SS**THydrogen-bonded Turntrans-98.90.5-170.6-59-39.8000114.6N132N132-D134 PolarHBondContact O-N 3.29Å
135D58.9Low69.8Low148 Ų148128.1 Ų128.179%0.79168%0.68SS**  trans-96.411-178.4-82.1-39.6000114.1
136E56.6Low68.3Low182 Ų182133.3 Ų133.385%0.8571%0.709SS**THydrogen-bonded Turntrans-85.81.9-176.3-141.8167.4-171.700114.6
137D56.3Low66.7Low163 Ų163140.8 Ų140.887%0.87275%0.749SS**THydrogen-bonded Turntrans-117.618.9-170.6-79.8-37.1000117
138A53.6Low65Low103 Ų103143.4 Ų143.485%0.85177%0.772SS**  trans-112.622.1-175.700000116.4
139S51.7Low63Low117 Ų117148.3 Ų148.382%0.81881%0.805SS**SBendtrans-127.556.6179.1-174.70000113.3
140D55.3Low61.1Low160 Ų160152.2 Ų152.286%0.85683%0.834SS**  trans-165.378.8158.9-155.944.8000112.7
141N55.7Low59.5Low149 Ų149151.4 Ų151.480%0.79784%0.839SS**  trans-17491.2146.8-130.4-18.1000112.4
142E57.2Low58.3Low201 Ų201152.9 Ų152.994%0.93985%0.852SS**  trans-125.396.8153-161.9167.312600106.5
143S60.6Low57.3Low184 Ų184157.1 Ų157.1100%1.28788%0.878SS**  trans-152.60168.8-69.70000108.4

Retrieved 143 of 143 residues in 418.6 ms (Link to these results)