A0A087X9S4_POEFO Loading...

TM2 domain containing 1

AlphaFold DB , UniProt , Accession A0A087X9S4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 196 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
1M31.9Very low38.8Very low244 Ų244150.7 Ų150.7100%1.20283%0.83SS**  0127.50-71.1170.9-16600107.7
2A32.1Very low39Very low100 Ų100149.6 Ų149.683%0.82683%0.831SS**  trans52.5110.216400000119.6
3A38.6Very low38.9Very low93 Ų93151 Ų15177%0.76984%0.835SS**  trans-67.6161.2139.200000109
4P49.2Very low39.4Very low110 Ų110149.6 Ų149.671%0.71483%0.832SS**  -148.6156.6100.436.1-18.3000116
5F39.3Very low40.1Very low210 Ų210149.9 Ų149.992%0.92183%0.83SS**  trans28.2133.7134.6-77.3-111.4000118.4
6G31.8Very low40.1Very low66 Ų66152.6 Ų152.668%0.6883%0.831SS**  cis160.6153.911.300000108.7
7R43.2Very low40Very low243 Ų243151.3 Ų151.392%0.91783%0.834SS**  trans42.796150.8-68.1179.3171.8-164.9-3.2118.4
8L34.9Very low40.2Very low165 Ų165150.9 Ų150.986%0.86484%0.842SS**  trans-155.285.2135.8-146.669.6000106.3
9L40.8Very low40.3Very low140 Ų140146.4 Ų146.473%0.73383%0.833SS**  58.3121.388.8-159.386.2000111.7
10L44.9Very low40.5Very low139 Ų139145.5 Ų145.573%0.72884%0.836SS**  trans69.2105.3164-99.368.5000115.3
11L40.7Very low40.1Very low148 Ų148142.3 Ų142.378%0.77584%0.835SS**  168.1-13.7115.6-99.3136.7000117.9
12T40.9Very low40.8Very low137 Ų137137.6 Ų137.684%0.8482%0.824SS**  trans-125.451.4-162.9580000116.3
13L37.9Very low40.9Very low168 Ų168136 Ų13688%0.8882%0.818SS**  trans-12947.4162.8-105.7151.7000110.7
14V46Very low41Very low131 Ų131137.6 Ų137.679%0.79482%0.823SS**  trans-90.75.9172173.70000111.8
15L49.1Very low40.4Very low154 Ų154135.7 Ų135.781%0.80682%0.824SS**  trans-12013.5-160.7-104.4123.3000118.5
16F41Very low40.6Very low193 Ų193134.2 Ų134.285%0.84682%0.824SS**SBendtrans-134.988.9173.1-100.4-94.1000111.8
17C38.1Very low41.2Very low131 Ų131142.1 Ų142.189%0.88583%0.834SS**  trans171.157.3132.2-890000110.1
18C43.5Very low40.8Very low144 Ų144135.1 Ų135.197%0.97383%0.828SS**  trans-101.695.3155.4-159.90000105.9
19G42Very low41.1Very low65 Ų65131 Ų13167%0.6782%0.818SS**  trans-169.167.1-172.800000111.8
20S44.1Very low41Very low129 Ų129133.5 Ų133.590%0.90283%0.826SS**SBendtrans133.8113.6147.7-56.80000112.6
21G33.3Very low40.7Very low79 Ų79131 Ų13181%0.81482%0.824SS**  trans103.278.8159.200000115.7G23G21-G23 PolarHBondContact O-N 2.85Å
22C46.3Very low41.4Very low144 Ų144131.4 Ų131.497%0.97382%0.823SS**  trans-70.7108.5153.4-171.50000107.4
23G33.6Very low42.4Very low67 Ų67132.9 Ų132.969%0.69182%0.82SS**  trans-137.393.9172.800000108.2G21G21-G23 PolarHBondContact O-N 2.85Å
24S41.4Very low43.8Very low126 Ų126125.7 Ų125.788%0.88178%0.784SS**  trans3.5118.6157.1-44.30000116.8
25G36.6Very low45.4Very low70 Ų70124.3 Ų124.372%0.72277%0.769SS**  trans151.456.1161.700000115.8R27G25-R27 PolarHBondContact O-N 2.91Å
26L42.7Very low47.3Very low179 Ų179119.5 Ų119.594%0.93775%0.745SS**  trans-65.493.1151.3-164.584.4000106.9
27R45.1Very low49.5Very low233 Ų233110.4 Ų110.488%0.87971%0.705SS**  trans-17891.6163-102.8166.9-172.3-162.31.7110G25G25-R27 PolarHBondContact O-N 2.91Å
28A34.4Very low51.9Low96 Ų96111.7 Ų111.779%0.79369%0.691SS**  -116.994.8125.800000102E30A28-E30 VanDerWaalsContact C-N 3.31Å
29A41.1Very low54.2Low78 Ų78111.6 Ų111.665%0.64568%0.676SS**  27.880.274.500000107.7A31A29-A31 PolarHBondContact O-N 3.44Å
30E38.3Very low56.5Low193 Ų193109.1 Ų109.190%0.90265%0.647SS**  trans-46.9100.3147.2-71.2173.9138.700104A28 E32A28-E30 VanDerWaalsContact C-N 3.31Å; E30-E32 VanDerWaalsContact C-N 3.33Å; E30-E32 PolarHBondContact O-N 3.2Å
31A38Very low58.7Low85 Ų85111.3 Ų111.370%0.70264%0.636SS**  trans-55.6116157.400000102.7A29 E33A29-A31 PolarHBondContact O-N 3.44Å; A31-E33 PolarHBondContact O-N 3.4Å
32E55.2Low61.3Low158 Ų158114.5 Ų114.574%0.73863%0.633SS**  trans-56.985.9165.3-173.7-162.8143.800105.3E30 A34E30-E32 VanDerWaalsContact C-N 3.33Å; E30-E32 PolarHBondContact O-N 3.2Å; E32-A34 VanDerWaalsContact C-N 3.35Å; E32-A34 PolarHBondContact O-N 2.84Å
33E63.8Low63.4Low168 Ų168111 Ų11179%0.78562%0.622SS**  trans-71101.3177-169171.8162.500104.7A31 E35A31-E33 PolarHBondContact O-N 3.4Å; E33-E35 PolarHBondContact O-N 2.99Å; E33-E35 VanDerWaalsContact O-N 3.12Å
34A66Low66.2Low16 Ų16111.1 Ų111.113%0.13261%0.605CS.*PPolyproline II helixtrans-53.8120.9-177.900000109.2E32 E86E32-A34 VanDerWaalsContact C-N 3.35Å; E32-A34 PolarHBondContact O-N 2.84Å; A34-E86 HydrophobicContact CB-CG 4.3Å
35E79.4Confident68.6Low102 Ų102106.4 Ų106.448%0.47757%0.568SS.*PPolyproline II helixtrans-57.8144.2177.6-71.7-174.5148.800109.9E33 C37 C79 R80E33-E35 PolarHBondContact O-N 2.99Å; E33-E35 VanDerWaalsContact O-N 3.12Å; E35-C37 PolarHBondContact O-N 3.38Å; E35-C79 WeakPolarHBondContact O-CB 3.16Å; E35-R80 PolarHBondContact O-N 3.23Å; E35-R80 VanDerWaalsContact O-N 3.16Å
36D89.3Confident71.4Confident54 Ų54109.2 Ų109.229%0.28957%0.566SS.*BIsolated β-bridgetrans-61134.8174.2178.280.2000109.7R38 H39D36-R38 PolarHBondContact O-N 3.01Å; D36-R38 WeakPolarHBondContact OD2-CB 3.47Å; D36-R38 VanDerWaalsContact OD2-CG 3.28Å; D36-R38 WeakPolarHBondContact OD2-CG 3.4Å; D36-R38 PolarHBondContact OD2-N 2.8Å; D36-R38 VanDerWaalsContact OD2-N 3.08Å; D36-H39 PolarHBondContact O-N 2.78Å; D36-H39 IonicContact OD2-CD2 2.66Å
37C87.8Confident73.9Confident2 Ų2102.4 Ų102.41%0.01453%0.532CS..G310 helixtrans-57.4-22.7-173.6-65.20000113.3E35 H39 L40 C79 R80 F96E35-C37 PolarHBondContact O-N 3.38Å; C37-H39 VanDerWaalsContact C-N 3.29Å; C37-H39 PolarHBondContact O-N 3.31Å; C37-L40 WeakPolarHBondContact O-CG 3.37Å; C37-C79 VanDerWaalsContact CA-SG 3.57Å; C37-C79 HydrophobicContact CB-CB 3.95Å; C37-C79 WeakPolarHBondContact CB-SG 3.41Å; C37-C79 WeakPolarHBondContact SG-CB 3.29Å; C37-C79 CovalentContact SG-SG 2.03Å; C37-C79 PolarHBondContact SG-SG 3.49Å; C37-R80 PolarHBondContact N-O 2.93Å; C37-R80 PolarHBondContact SG-O 3.04Å; C37-F96 HydrophobicContact CB-CD1 4.12Å; C37-F96 VanDerWaalsContact O-CD1 3.26Å; C37-F96 WeakPolarHBondContact O-CD1 3.17Å; C37-F96 WeakPolarHBondContact O-CE1 3.29Å
38R88.5Confident76.3Confident157 Ų15797.5 Ų97.559%0.59251%0.514SS*.G310 helixtrans-74.8-19.1177.8-55.8174.6176.7-178.80.2113.1D36 F96D36-R38 PolarHBondContact O-N 3.01Å; D36-R38 WeakPolarHBondContact OD2-CB 3.47Å; D36-R38 VanDerWaalsContact OD2-CG 3.28Å; D36-R38 WeakPolarHBondContact OD2-CG 3.4Å; D36-R38 PolarHBondContact OD2-N 2.8Å; D36-R38 VanDerWaalsContact OD2-N 3.08Å; R38-F96 HydrophobicContact CG-CB 4.38Å
39H90.5Very high79.1Confident142 Ų14299.4 Ų99.466%0.65751%0.511SS*.G310 helixtrans-101.36.6-176.8-71.6-77.4000113.8D36 C37D36-H39 PolarHBondContact O-N 2.78Å; D36-H39 IonicContact OD2-CD2 2.66Å; C37-H39 VanDerWaalsContact C-N 3.29Å; C37-H39 PolarHBondContact O-N 3.31Å
40L90.4Very high81.6Confident13 Ų1397.2 Ų97.27%0.06849%0.49CS..PPolyproline II helixtrans-52.1144.3173.5-70.1173.4000111.4C37 Q44 Y45 P73 V77 C79 F96C37-L40 WeakPolarHBondContact O-CG 3.37Å; L40-Q44 HydrophobicContact CB-CB 4.36Å; L40-Q44 HydrophobicContact CD2-CB 4.49Å; L40-Y45 HydrophobicContact CB-CD1 3.65Å; L40-Y45 HydrophobicContact CB-CE1 4.02Å; L40-Y45 VanDerWaalsContact O-CE1 3.26Å; L40-Y45 WeakPolarHBondContact O-CE1 3.41Å; L40-P73 HydrophobicContact CD1-CB 4.25Å; L40-P73 HydrophobicContact CD1-CG 4.39Å; L40-V77 HydrophobicContact CD1-CG1 4.4Å; L40-V77 HydrophobicContact CD2-CG1 3.88Å; L40-C79 HydrophobicContact CD2-CB 4.24Å; L40-F96 HydrophobicContact CD1-CE1 4.06Å
41R90.5Very high84.3Confident176 Ų17696 Ų9666%0.66448%0.482SS*.PPolyproline II helixtrans-75.3154.7-179.1-60.4-175.6-178.5-178.62.4111.2G43 Q44 Y45R41-G43 PolarHBondContact O-N 2.98Å; R41-Q44 HydrophobicContact CB-CG 4.5Å; R41-Q44 WeakPolarHBondContact O-CB 3.42Å; R41-Q44 PolarHBondContact O-N 2.86Å; R41-Y45 WeakPolarHBondContact O-CD1 3.39Å; R41-Y45 VanDerWaalsContact O-CE1 3.22Å; R41-Y45 WeakPolarHBondContact O-CE1 3.41Å
42L89.4Confident87Confident145 Ų14594 Ų9476%0.75946%0.459SS*.THydrogen-bonded Turntrans-56.1124.5172.5-63.5171.1000109.2
43G89.1Confident88.8Confident72 Ų7289.2 Ų89.274%0.74244%0.439SS*.THydrogen-bonded Turntrans101.9-12.3-174.800000115.3R41R41-G43 PolarHBondContact O-N 2.98Å
44Q92.3Very high90.3Very high68 Ų6889 Ų8932%0.31844%0.438SS..SBendtrans-94.9-0.2174.5-66.8176.3-38.600113.6L40 R41 A74L40-Q44 HydrophobicContact CB-CB 4.36Å; L40-Q44 HydrophobicContact CD2-CB 4.49Å; R41-Q44 HydrophobicContact CB-CG 4.5Å; R41-Q44 WeakPolarHBondContact O-CB 3.42Å; R41-Q44 PolarHBondContact O-N 2.86Å; Q44-A74 WeakPolarHBondContact O-CB 3.45Å; Q44-A74 PolarHBondContact O-N 3.08Å
45Y93.5Very high91.5Very high27 Ų2792.2 Ų92.211%0.10646%0.459CS..EExtended strand (participates in β ladder)trans-15316117661.6-83.7000110L40 R41 C71 L72 F96 R98L40-Y45 HydrophobicContact CB-CD1 3.65Å; L40-Y45 HydrophobicContact CB-CE1 4.02Å; L40-Y45 VanDerWaalsContact O-CE1 3.26Å; L40-Y45 WeakPolarHBondContact O-CE1 3.41Å; R41-Y45 WeakPolarHBondContact O-CD1 3.39Å; R41-Y45 VanDerWaalsContact O-CE1 3.22Å; R41-Y45 WeakPolarHBondContact O-CE1 3.41Å; Y45-C71 HydrophobicContact CD2-CB 4.15Å; Y45-L72 CarbonylContact C-O 3.46Å; Y45-L72 WeakPolarHBondContact CA-O 3.08Å; Y45-L72 WeakPolarHBondContact CB-O 3.22Å; Y45-F96 HydrophobicContact CD1-CZ 4.07Å; Y45-F96 HydrophobicContact CD2-CE1 4.38Å; Y45-F96 AromaticContact CD2-CZ 3.65Å; Y45-F96 HydrophobicContact CD2-CZ 3.65Å; Y45-F96 HydrophobicContact CE1-CZ 4.37Å; Y45-F96 AromaticContact CE2-CZ 3.97Å; Y45-F96 HydrophobicContact CE2-CZ 3.97Å; Y45-F96 HydrophobicContact CG-CE1 4.09Å; Y45-F96 AromaticContact CG-CZ 3.7Å; Y45-F96 HydrophobicContact CG-CZ 3.7Å; Y45-R98 PolarHBondContact OH-NH1 3.34Å; Y45-R98 PolarHBondContact OH-NH2 2.85Å; Y45-R98 VanDerWaalsContact OH-NH2 3.12Å
46L94.9Very high92.2Very high129 Ų12989.2 Ų89.268%0.67545%0.448SS*.EExtended strand (participates in β ladder)trans-128125.9174.6-179.565.1000109L72L46-L72 PolarHBondContact N-O 2.93Å; L46-L72 WeakPolarHBondContact O-CD1 3.38Å; L46-L72 PolarHBondContact O-N 3.44Å
47C94.7Very high92.4Very high36 Ų3688.3 Ų88.324%0.24344%0.442CS..EExtended strand (participates in β ladder)trans-91.3141.9174.2-56.50000110.5V69 D70 C71C47-V69 HydrophobicContact CB-CG2 4.25Å; C47-D70 WeakPolarHBondContact CA-O 3.46Å; C47-C71 HydrophobicContact CB-CB 4.07Å; C47-C71 WeakPolarHBondContact CB-SG 3.15Å; C47-C71 WeakPolarHBondContact SG-CB 3.26Å; C47-C71 CovalentContact SG-SG 2.05Å; C47-C71 PolarHBondContact SG-SG 2.05Å
48R94.6Very high92.7Very high130 Ų13088.7 Ų88.749%0.49144%0.443SS..PPolyproline II helixtrans-70.6146.8173.3-64.1-175.4175.2167.80.6109.9D70 L72R48-D70 PolarHBondContact N-O 2.94Å; R48-L72 HydrophobicContact CG-CD1 3.57Å
49D93.1Very high93Very high137 Ų13781.9 Ų81.973%0.73342%0.419SS*.PPolyproline II helixtrans-64.3136170.1-64.3-64.9000110
50P94.1Very high93.2Very high32 Ų3282 Ų8221%0.20842%0.42CS..PPolyproline II helixtrans-64.8147.9175.825.1-30.2000110.5I52 P59 V69P50-I52 HydrophobicContact CB-CD1 4.41Å; P50-I52 HydrophobicContact CG-CD1 4.02Å; P50-I52 PolarHBondContact O-N 3.2Å; P50-P59 HydrophobicContact CB-CB 3.95Å; P50-P59 HydrophobicContact CB-CG 4.1Å; P50-P59 HydrophobicContact CG-CB 4.48Å; P50-P59 HydrophobicContact CG-CG 4.09Å; P50-V69 HydrophobicContact CB-CG1 3.74Å; P50-V69 HydrophobicContact CG-CG1 4.11Å
51K94.4Very high93.3Very high166 Ų16684.9 Ų84.972%0.72244%0.435SS*.PPolyproline II helixtrans-69.9124.1168.4-64.7-175.6-178.9-178.70109P59 E60K51-P59 WeakPolarHBondContact O-CA 3.42Å; K51-E60 PolarHBondContact O-N 2.03Å
52I94.9Very high93.5Very high44 Ų4478.4 Ų78.423%0.22642%0.417CS..BIsolated β-bridgetrans-95.7135.1-177.1-53-54000109.3P50 P59 F174P50-I52 HydrophobicContact CB-CD1 4.41Å; P50-I52 HydrophobicContact CG-CD1 4.02Å; P50-I52 PolarHBondContact O-N 3.2Å; I52-P59 HydrophobicContact CD1-CG 4.29Å; I52-F174 HydrophobicContact CD1-CD2 3.5Å; I52-F174 VanDerWaalsContact CD1-CD2 3.5Å; I52-F174 HydrophobicContact CD1-CE1 4.45Å; I52-F174 HydrophobicContact CD1-CE2 3.36Å; I52-F174 HydrophobicContact CD1-CG 4.13Å; I52-F174 HydrophobicContact CD1-CZ 3.87Å; I52-F174 HydrophobicContact CG1-CD1 4.16Å; I52-F174 HydrophobicContact CG1-CD2 3.82Å; I52-F174 HydrophobicContact CG1-CE1 4.31Å; I52-F174 HydrophobicContact CG1-CE2 4Å; I52-F174 HydrophobicContact CG1-CG 3.91Å; I52-F174 HydrophobicContact CG1-CZ 4.23Å; I52-F174 HydrophobicContact CG2-CB 4.16Å; I52-F174 HydrophobicContact CG2-CD2 4.36Å; I52-F174 HydrophobicContact CG2-CG 4.36Å
53D94.4Very high93.6Very high58 Ų5879.9 Ų79.931%0.3141%0.412SS..PPolyproline II helixtrans-79127.6172.1-179.9-48.6000109.8S55 T56 Q57 E58D53-S55 PolarHBondContact O-N 2.89Å; D53-S55 WeakPolarHBondContact OD1-CA 3.38Å; D53-S55 WeakPolarHBondContact OD1-CB 3.04Å; D53-S55 PolarHBondContact OD1-N 3.37Å; D53-S55 PolarHBondContact OD1-OG 2.83Å; D53-T56 WeakPolarHBondContact CB-OG1 3.33Å; D53-T56 PolarHBondContact O-N 3.38Å; D53-T56 PolarHBondContact OD1-N 3.5Å; D53-Q57 VanDerWaalsContact O-CA 3.29Å; D53-Q57 WeakPolarHBondContact O-CA 3.4Å; D53-Q57 PolarHBondContact O-N 3.19Å; D53-E58 PolarHBondContact N-O 2.7Å
54E93.7Very high93.7Very high164 Ų16484.6 Ų84.677%0.76642%0.421SS*.THydrogen-bonded Turntrans-60.9-30.6-177-67.1-63.7154.700113.4Q57E54-Q57 PolarHBondContact O-NE2 3.29Å
55S92.3Very high93.6Very high82 Ų8282.6 Ų82.657%0.57342%0.418SS*.THydrogen-bonded Turntrans-83.2-40.8-176.870.80000112.9D53D53-S55 PolarHBondContact O-N 2.89Å; D53-S55 WeakPolarHBondContact OD1-CA 3.38Å; D53-S55 WeakPolarHBondContact OD1-CB 3.04Å; D53-S55 PolarHBondContact OD1-N 3.37Å; D53-S55 PolarHBondContact OD1-OG 2.83Å
56T93Very high93.6Very high40 Ų4084.2 Ų84.225%0.24543%0.43CS..THydrogen-bonded Turntrans-94.9-20.4-176.464.10000112.9D53 E58 V105D53-T56 WeakPolarHBondContact CB-OG1 3.33Å; D53-T56 PolarHBondContact O-N 3.38Å; D53-T56 PolarHBondContact OD1-N 3.5Å; T56-E58 PolarHBondContact O-N 2.97Å; T56-E58 PolarHBondContact OG1-N 3.21Å; T56-V105 HydrophobicContact CG2-CG2 4.06Å
57Q95Very high93.6Very high34 Ų3478.1 Ų78.116%0.15940%0.399CS..SBendtrans57.724.2-172.7-59.7-71.9-54.800112.8D53 E54 I171 V172D53-Q57 VanDerWaalsContact O-CA 3.29Å; D53-Q57 WeakPolarHBondContact O-CA 3.4Å; D53-Q57 PolarHBondContact O-N 3.19Å; E54-Q57 PolarHBondContact O-NE2 3.29Å; Q57-I171 HydrophobicContact CB-CG2 4.24Å; Q57-I171 HydrophobicContact CG-CG2 4Å; Q57-V172 WeakPolarHBondContact CB-O 3.47Å
58E94.1Very high93.6Very high11 Ų1181.6 Ų81.65%0.05141%0.41CS..SBendtrans-119.4164176.1-65.6-71.9155.300109.9D53 T56 E60 R103 V105 R178D53-E58 PolarHBondContact N-O 2.7Å; T56-E58 PolarHBondContact O-N 2.97Å; T56-E58 PolarHBondContact OG1-N 3.21Å; E58-E60 PolarHBondContact O-N 2.8Å; E58-R103 PolarHBondContact OE2-N 2.79Å; E58-R103 VanDerWaalsContact OE2-N 3.12Å; E58-V105 HydrophobicContact CG-CG1 3.9Å; E58-V105 HydrophobicContact CG-CG2 3.9Å; E58-R178 IonicContact OE1-CZ 3.82Å; E58-R178 IonicContact OE1-NH1 3.94Å; E58-R178 PolarHBondContact OE1-NH1 3.48Å; E58-R178 IonicContact OE1-NH2 3.14Å; E58-R178 PolarHBondContact OE1-NH2 3.37Å; E58-R178 IonicContact OE2-NH1 2.7Å
59P94.9Very high93.6Very high13 Ų1375.9 Ų75.98%0.08439%0.389CS..BIsolated β-bridgetrans-57.1136.6175.1-26.736.5000113P50 K51 I52 N61 C62 A67 C102P50-P59 HydrophobicContact CB-CB 3.95Å; P50-P59 HydrophobicContact CB-CG 4.1Å; P50-P59 HydrophobicContact CG-CB 4.48Å; P50-P59 HydrophobicContact CG-CG 4.09Å; K51-P59 WeakPolarHBondContact O-CA 3.42Å; I52-P59 HydrophobicContact CD1-CG 4.29Å; P59-N61 PolarHBondContact O-N 2.88Å; P59-N61 VanDerWaalsContact O-N 3.13Å; P59-C62 VanDerWaalsContact O-CB 3.31Å; P59-C62 WeakPolarHBondContact O-CB 3.11Å; P59-C62 PolarHBondContact O-N 2.78Å; P59-C62 VanDerWaalsContact O-N 3.07Å; P59-A67 HydrophobicContact CB-CB 3.63Å; P59-A67 HydrophobicContact CG-CB 4.06Å; P59-C102 HydrophobicContact CG-CB 4.27Å
60E93.5Very high93.6Very high146 Ų14672.3 Ų72.368%0.68237%0.371SS*.THydrogen-bonded Turntrans-57.1-32.6-178.8-169.3-178.9-178.500112.8K51 E58 C62K51-E60 PolarHBondContact O-N 2.03Å; E58-E60 PolarHBondContact O-N 2.8Å; E60-C62 PolarHBondContact O-N 3.12Å
61N93.3Very high93.6Very high72 Ų7270.8 Ų70.839%0.38536%0.361SS..THydrogen-bonded Turntrans-98.537.3178.7-16826.6000113.1P59 R63 A67P59-N61 PolarHBondContact O-N 2.88Å; P59-N61 VanDerWaalsContact O-N 3.13Å; N61-R63 PolarHBondContact O-N 3.48Å; N61-A67 WeakPolarHBondContact O-CA 3.43Å; N61-A67 WeakPolarHBondContact O-CB 3.48Å
62C93.4Very high93.6Very high40 Ų4063.7 Ų63.727%0.2733%0.33SS..  trans-77.4115.9174.5-175.10000110.9P59 E60 C102P59-C62 VanDerWaalsContact O-CB 3.31Å; P59-C62 WeakPolarHBondContact O-CB 3.11Å; P59-C62 PolarHBondContact O-N 2.78Å; P59-C62 VanDerWaalsContact O-N 3.07Å; E60-C62 PolarHBondContact O-N 3.12Å; C62-C102 WeakPolarHBondContact CA-SG 3.33Å; C62-C102 HydrophobicContact CB-CB 3.84Å; C62-C102 WeakPolarHBondContact CB-SG 3.37Å; C62-C102 WeakPolarHBondContact SG-CB 3.43Å; C62-C102 CovalentContact SG-SG 2.03Å; C62-C102 PolarHBondContact SG-SG 2.03Å
63R91.4Very high93.6Very high176 Ų17661.6 Ų61.666%0.66432%0.32SS*.BIsolated β-bridgetrans-131.9132.8173.6-64.8-174.9-175.9-158-1109.5N61 G65 V66N61-R63 PolarHBondContact O-N 3.48Å; R63-G65 PolarHBondContact O-N 3.16Å; R63-V66 PolarHBondContact N-O 2.95Å; R63-V66 VanDerWaalsContact O-CG2 3.29Å; R63-V66 WeakPolarHBondContact O-CG2 3.46Å; R63-V66 PolarHBondContact O-N 3.44Å
64D91.8Very high93.6Very high172 Ų17260.2 Ų60.292%0.9232%0.316SS*.THydrogen-bonded Turntrans51.130.4177.8-55.3-45.3000114.4
65G90.1Very high93.6Very high26 Ų2656.4 Ų56.427%0.26831%0.306SS..THydrogen-bonded Turntrans80.710.1-179.100000115.3R63 C102R63-G65 PolarHBondContact O-N 3.16Å; G65-C102 CarbonylContact C-O 3.55Å; G65-C102 VanDerWaalsContact CA-O 3.28Å; G65-C102 WeakPolarHBondContact CA-O 3.44Å; G65-C102 PolarHBondContact O-N 3.37Å
66V94.4Very high93.6Very high60 Ų6057.9 Ų57.936%0.36431%0.307SS..EExtended strand (participates in β ladder)trans-129144.4173-64.90000111.7R63 V100 C102R63-V66 PolarHBondContact N-O 2.95Å; R63-V66 VanDerWaalsContact O-CG2 3.29Å; R63-V66 WeakPolarHBondContact O-CG2 3.46Å; R63-V66 PolarHBondContact O-N 3.44Å; V66-V100 CarbonylContact C-O 3.57Å; V66-V100 WeakPolarHBondContact CA-O 3.5Å; V66-C102 PolarHBondContact N-SG 3.34Å
67A95Very high93.5Very high1 Ų157.2 Ų57.21%0.00830%0.303CS..EExtended strand (participates in β ladder)trans-126.6152.4172.100000110.3P59 N61 T99 V100P59-A67 HydrophobicContact CB-CB 3.63Å; P59-A67 HydrophobicContact CG-CB 4.06Å; N61-A67 WeakPolarHBondContact O-CA 3.43Å; N61-A67 WeakPolarHBondContact O-CB 3.48Å; A67-T99 CarbonylContact O-C 3.14Å; A67-T99 WeakPolarHBondContact O-CA 3.04Å; A67-V100 HydrophobicContact CB-CG2 4.04Å; A67-V100 PolarHBondContact N-O 3.12Å; A67-V100 VanDerWaalsContact O-CG2 3.29Å; A67-V100 WeakPolarHBondContact O-CG2 3.02Å; A67-V100 PolarHBondContact O-N 3.24Å
68F93.8Very high93.3Very high110 Ų11058.6 Ų58.648%0.48231%0.314SS..EExtended strand (participates in β ladder)trans-98.5134.3-179.5-63.3-86.1000110.7R98 T99F68-R98 WeakPolarHBondContact CA-O 3.15Å; F68-T99 HydrophobicContact CD1-CG2 3.92Å; F68-T99 HydrophobicContact CE1-CG2 3.61Å; F68-T99 HydrophobicContact CZ-CG2 4.29Å
69V95.1Very high93.1Very high9 Ų958.1 Ų58.16%0.05531%0.312CS..EExtended strand (participates in β ladder)trans-125.2144.7173-68.50000110.6C47 P50 N97 R98 V100C47-V69 HydrophobicContact CB-CG2 4.25Å; P50-V69 HydrophobicContact CB-CG1 3.74Å; P50-V69 HydrophobicContact CG-CG1 4.11Å; V69-N97 CarbonylContact O-C 3.44Å; V69-N97 VanDerWaalsContact O-CA 3.3Å; V69-N97 WeakPolarHBondContact O-CA 3.31Å; V69-R98 HydrophobicContact CG2-CB 4.28Å; V69-R98 WeakPolarHBondContact CG2-O 3.2Å; V69-R98 PolarHBondContact N-O 3.12Å; V69-R98 PolarHBondContact O-N 2.98Å; V69-V100 HydrophobicContact CG1-CG1 4.43Å; V69-V100 HydrophobicContact CG1-CG2 3.64Å; V69-V100 HydrophobicContact CG2-CG1 3.86Å; V69-V100 HydrophobicContact CG2-CG2 4.22Å
70D94.2Very high92.9Very high63 Ų6363.1 Ų63.134%0.33733%0.329SS..EExtended strand (participates in β ladder)trans-83.5132.6179.5-60.3-26.8000110C47 R48 V94 N97C47-D70 WeakPolarHBondContact CA-O 3.46Å; R48-D70 PolarHBondContact N-O 2.94Å; D70-V94 HydrophobicContact CB-CG1 3.81Å; D70-V94 HydrophobicContact CB-CG2 4Å; D70-N97 PolarHBondContact OD1-ND2 2.82Å; D70-N97 PolarHBondContact OD1-OD1 2.81Å
71C94.1Very high92.8Very high0 Ų058.4 Ų58.40%031%0.308CS..EExtended strand (participates in β ladder)trans-117.2134.7179.9-540000112.1Y45 C47 G95 F96 R98Y45-C71 HydrophobicContact CD2-CB 4.15Å; C47-C71 HydrophobicContact CB-CB 4.07Å; C47-C71 WeakPolarHBondContact CB-SG 3.15Å; C47-C71 WeakPolarHBondContact SG-CB 3.26Å; C47-C71 CovalentContact SG-SG 2.05Å; C47-C71 PolarHBondContact SG-SG 2.05Å; C71-G95 PolarHBondContact O-N 3.21Å; C71-F96 WeakPolarHBondContact CA-O 3.41Å; C71-F96 HydrophobicContact CB-CD1 4.32Å; C71-F96 HydrophobicContact CB-CD2 4.17Å; C71-F96 HydrophobicContact CB-CE1 3.93Å; C71-F96 HydrophobicContact CB-CE2 3.78Å; C71-F96 HydrophobicContact CB-CG 4.44Å; C71-F96 HydrophobicContact CB-CZ 3.66Å; C71-F96 WeakPolarHBondContact CB-O 3.35Å; C71-F96 PolarHBondContact N-O 3.32Å; C71-F96 PolarHBondContact O-N 3.46Å; C71-R98 VanDerWaalsContact SG-CB 3.57Å
72L93.8Very high92.4Very high16 Ų1659.4 Ų59.48%0.08432%0.321CS..EExtended strand (participates in β ladder)trans-105.4118.1-177.9-57.695.8000109.6Y45 L46 R48 G91 D92Y45-L72 CarbonylContact C-O 3.46Å; Y45-L72 WeakPolarHBondContact CA-O 3.08Å; Y45-L72 WeakPolarHBondContact CB-O 3.22Å; L46-L72 PolarHBondContact N-O 2.93Å; L46-L72 WeakPolarHBondContact O-CD1 3.38Å; L46-L72 PolarHBondContact O-N 3.44Å; R48-L72 HydrophobicContact CG-CD1 3.57Å; L72-G91 WeakPolarHBondContact CD2-O 3.36Å; L72-D92 VanDerWaalsContact CD2-C 3.42Å; L72-D92 WeakPolarHBondContact CD2-O 3.44Å
73P94.4Very high92.1Very high1 Ų164.2 Ų64.21%0.00634%0.344CS..EExtended strand (participates in β ladder)trans-62.4146.3171.4-22.135000111.4L40 V77 F89 G91L40-P73 HydrophobicContact CD1-CB 4.25Å; L40-P73 HydrophobicContact CD1-CG 4.39Å; P73-V77 HydrophobicContact CB-CB 4.5Å; P73-F89 HydrophobicContact CB-CB 3.9Å; P73-F89 HydrophobicContact CB-CD1 4.34Å; P73-F89 HydrophobicContact CB-CD2 3.86Å; P73-F89 HydrophobicContact CB-CE2 4.49Å; P73-F89 HydrophobicContact CB-CG 3.76Å; P73-F89 HydrophobicContact CG-CB 4.35Å; P73-F89 HydrophobicContact CG-CD1 3.84Å; P73-F89 HydrophobicContact CG-CD2 3.76Å; P73-F89 HydrophobicContact CG-CE1 4Å; P73-F89 HydrophobicContact CG-CE2 3.95Å; P73-F89 HydrophobicContact CG-CG 3.7Å; P73-F89 HydrophobicContact CG-CZ 4.02Å; P73-G91 WeakPolarHBondContact O-CA 3.3Å
74A94.4Very high91.8Very high29 Ų2957.2 Ų57.224%0.2433%0.327CS..PPolyproline II helixtrans-61.2153.9176.800000111.5Q44 N76 V77Q44-A74 WeakPolarHBondContact O-CB 3.45Å; Q44-A74 PolarHBondContact O-N 3.08Å; A74-N76 PolarHBondContact O-N 2.82Å; A74-V77 HydrophobicContact CB-CG2 3.89Å; A74-V77 WeakPolarHBondContact O-CB 3.26Å; A74-V77 WeakPolarHBondContact O-CG2 3.28Å; A74-V77 PolarHBondContact O-N 3.2Å
75P94.4Very high91.6Very high83 Ų8352.4 Ų52.454%0.53930%0.304SS..THydrogen-bonded Turntrans-57138.5178.623.4-34.7000111.5V77 S90P75-V77 VanDerWaalsContact C-N 3.27Å; P75-V77 PolarHBondContact O-N 2.86Å; P75-S90 WeakPolarHBondContact CB-O 3.4Å
76N91.9Very high91.5Very high114 Ų11457.5 Ų57.561%0.6132%0.321SS*.THydrogen-bonded Turntrans67.414.1-178.3-55.1-56.1000115.9A74 R88 F89A74-N76 PolarHBondContact O-N 2.82Å; N76-R88 PolarHBondContact OD1-NH1 3.49Å; N76-F89 PolarHBondContact N-O 3.13Å
77V90.6Very high91.3Very high26 Ų2656.9 Ų56.916%0.15832%0.317CS..  trans-81.8132168.2176.30000109.8L40 P73 A74 P75 F89L40-V77 HydrophobicContact CD1-CG1 4.4Å; L40-V77 HydrophobicContact CD2-CG1 3.88Å; P73-V77 HydrophobicContact CB-CB 4.5Å; A74-V77 HydrophobicContact CB-CG2 3.89Å; A74-V77 WeakPolarHBondContact O-CB 3.26Å; A74-V77 WeakPolarHBondContact O-CG2 3.28Å; A74-V77 PolarHBondContact O-N 3.2Å; P75-V77 VanDerWaalsContact C-N 3.27Å; P75-V77 PolarHBondContact O-N 2.86Å; V77-F89 PolarHBondContact O-N 3.3Å
78T91Very high91.1Very high63 Ų6364.8 Ų64.839%0.38735%0.346SS..EExtended strand (participates in β ladder)trans-100.6128.2169.640.70000109R88T78-R88 HydrophobicContact CG2-CB 3.8Å; T78-R88 HydrophobicContact CG2-CG 3.63Å
79C89.9Confident91Very high1 Ų159.9 Ų59.91%0.00733%0.325CS..EExtended strand (participates in β ladder)trans-149.9161.7172.365.70000110.8E35 C37 L40 V87 F89E35-C79 WeakPolarHBondContact O-CB 3.16Å; C37-C79 VanDerWaalsContact CA-SG 3.57Å; C37-C79 HydrophobicContact CB-CB 3.95Å; C37-C79 WeakPolarHBondContact CB-SG 3.41Å; C37-C79 WeakPolarHBondContact SG-CB 3.29Å; C37-C79 CovalentContact SG-SG 2.03Å; C37-C79 PolarHBondContact SG-SG 3.49Å; L40-C79 HydrophobicContact CD2-CB 4.24Å; C79-V87 PolarHBondContact N-O 3.26Å; C79-V87 PolarHBondContact O-N 2.77Å; C79-F89 WeakPolarHBondContact SG-CE2 3.5Å
80R91.6Very high90.8Very high118 Ų11863.5 Ų63.545%0.44535%0.35SS..EExtended strand (participates in β ladder)trans-90.7122.5178.4-166.4175.6-175.9-156.5-5.2110.1E35 C37 G84 E86E35-R80 PolarHBondContact O-N 3.23Å; E35-R80 VanDerWaalsContact O-N 3.16Å; C37-R80 PolarHBondContact N-O 2.93Å; C37-R80 PolarHBondContact SG-O 3.04Å; R80-G84 PolarHBondContact NE-O 2.94Å; R80-E86 HydrophobicContact CB-CG 4.41Å; R80-E86 HydrophobicContact CG-CG 4.38Å
81L89.4Confident90.5Very high46 Ų4661.3 Ų61.324%0.24134%0.343CS..  trans-68.6164.5173.7-82.472.9000110.4N83 G84 T85 V87 F89L81-N83 PolarHBondContact O-N 2.87Å; L81-G84 PolarHBondContact O-N 2.99Å; L81-T85 PolarHBondContact N-O 2.89Å; L81-V87 HydrophobicContact CD1-CB 3.94Å; L81-V87 HydrophobicContact CD1-CG2 3.67Å; L81-F89 HydrophobicContact CD1-CE2 4.1Å; L81-F89 HydrophobicContact CD1-CZ 3.63Å; L81-F89 HydrophobicContact CG-CZ 4.47Å
82S85Confident90.3Very high94 Ų9467.7 Ų67.766%0.65738%0.377SS*.THydrogen-bonded Turntrans-60.2-15.8174.454.50000114.4G84S82-G84 VanDerWaalsContact C-N 3.3Å
83N87.3Confident90.2Very high140 Ų14071.8 Ų71.875%0.74940%0.396SS*.THydrogen-bonded Turntrans-88.15173.8-160.617.6000113.1L81 T85L81-N83 PolarHBondContact O-N 2.87Å; N83-T85 VanDerWaalsContact C-N 3.28Å; N83-T85 PolarHBondContact O-N 2.61Å
84G84.8Confident90.1Very high30 Ų3074.7 Ų74.731%0.30941%0.414SS..SBendtrans80.50.6179.100000115.4R80 L81 S82R80-G84 PolarHBondContact NE-O 2.94Å; L81-G84 PolarHBondContact O-N 2.99Å; S82-G84 VanDerWaalsContact C-N 3.3Å
85T87.8Confident89.9Confident70 Ų7073.9 Ų73.943%0.42941%0.408SS..  trans-80.8130.5179.4-27.50000110.6L81 N83 V87L81-T85 PolarHBondContact N-O 2.89Å; N83-T85 VanDerWaalsContact C-N 3.28Å; N83-T85 PolarHBondContact O-N 2.61Å; T85-V87 HydrophobicContact CG2-CG2 4.33Å
86E89.6Confident89.8Confident134 Ų13470.7 Ų70.763%0.62639%0.386SS*.EExtended strand (participates in β ladder)trans-88.9122.6172.4-70.1175.3-173.200109.4A34 R80A34-E86 HydrophobicContact CB-CG 4.3Å; R80-E86 HydrophobicContact CB-CG 4.41Å; R80-E86 HydrophobicContact CG-CG 4.38Å
87V88.9Confident89.8Confident47 Ų4769.6 Ų69.629%0.28538%0.38SS..EExtended strand (participates in β ladder)trans-129.6141.2-178.4-172.80000108.7C79 L81 T85 F89C79-V87 PolarHBondContact N-O 3.26Å; C79-V87 PolarHBondContact O-N 2.77Å; L81-V87 HydrophobicContact CD1-CB 3.94Å; L81-V87 HydrophobicContact CD1-CG2 3.67Å; T85-V87 HydrophobicContact CG2-CG2 4.33Å; V87-F89 HydrophobicContact CB-CE2 4.14Å; V87-F89 HydrophobicContact CB-CZ 4.27Å
88R91.6Very high89.9Confident166 Ų16673.5 Ų73.563%0.62639%0.392SS*.EExtended strand (participates in β ladder)trans-99.1114.8172.3-165.2167.480.1957.1108.5N76 T78N76-R88 PolarHBondContact OD1-NH1 3.49Å; T78-R88 HydrophobicContact CG2-CB 3.8Å; T78-R88 HydrophobicContact CG2-CG 3.63Å
89F90.5Very high90Very high8 Ų874.5 Ų74.54%0.03540%0.397CS..  trans-84.9143.4-170.2-70.3-89.2000112.5P73 N76 V77 C79 L81 V87 E93P73-F89 HydrophobicContact CB-CB 3.9Å; P73-F89 HydrophobicContact CB-CD1 4.34Å; P73-F89 HydrophobicContact CB-CD2 3.86Å; P73-F89 HydrophobicContact CB-CE2 4.49Å; P73-F89 HydrophobicContact CB-CG 3.76Å; P73-F89 HydrophobicContact CG-CB 4.35Å; P73-F89 HydrophobicContact CG-CD1 3.84Å; P73-F89 HydrophobicContact CG-CD2 3.76Å; P73-F89 HydrophobicContact CG-CE1 4Å; P73-F89 HydrophobicContact CG-CE2 3.95Å; P73-F89 HydrophobicContact CG-CG 3.7Å; P73-F89 HydrophobicContact CG-CZ 4.02Å; N76-F89 PolarHBondContact N-O 3.13Å; V77-F89 PolarHBondContact O-N 3.3Å; C79-F89 WeakPolarHBondContact SG-CE2 3.5Å; L81-F89 HydrophobicContact CD1-CE2 4.1Å; L81-F89 HydrophobicContact CD1-CZ 3.63Å; L81-F89 HydrophobicContact CG-CZ 4.47Å; V87-F89 HydrophobicContact CB-CE2 4.14Å; V87-F89 HydrophobicContact CB-CZ 4.27Å; F89-E93 HydrophobicContact CD1-CB 4.11Å; F89-E93 HydrophobicContact CE1-CB 4.47Å
90S91.5Very high90.2Very high84 Ų8476.9 Ų76.959%0.58741%0.412SS*.  trans-87.2-15.7175.5-1660000113.7P75P75-S90 WeakPolarHBondContact CB-O 3.4Å
91G87.4Confident90.3Very high18 Ų1875.9 Ų75.919%0.18643%0.429CS..SBendtrans113.6-21.1-178.100000115.5L72 P73L72-G91 WeakPolarHBondContact CD2-O 3.36Å; P73-G91 WeakPolarHBondContact O-CA 3.3Å
92D90.8Very high90.4Very high133 Ų13374.3 Ų74.371%0.71142%0.422SS*.SBendtrans-106.9-5-173.6-65.5-42.6000114.4L72L72-D92 VanDerWaalsContact CD2-C 3.42Å; L72-D92 WeakPolarHBondContact CD2-O 3.44Å
93E91.3Very high90.7Very high103 Ų10373.2 Ų73.248%0.48140%0.403SS..SBendtrans-94144.2-177.6-62.6175.2172.500111.3F89 G95F89-E93 HydrophobicContact CD1-CB 4.11Å; F89-E93 HydrophobicContact CE1-CB 4.47Å; E93-G95 PolarHBondContact O-N 3.49Å
94V91.7Very high91Very high62 Ų6272.6 Ų72.638%0.37640%0.4SS..  trans-76.4117.8174.5-179.40000108.6D70D70-V94 HydrophobicContact CB-CG1 3.81Å; D70-V94 HydrophobicContact CB-CG2 4Å
95G90.4Very high91.4Very high12 Ų1272 Ų7212%0.12439%0.39CS..  trans-92.1-44.2178.600000112.7C71 E93C71-G95 PolarHBondContact O-N 3.21Å; E93-G95 PolarHBondContact O-N 3.49Å
96F92.3Very high91.5Very high16 Ų1670.9 Ų70.97%0.0738%0.383CS..EExtended strand (participates in β ladder)trans-156.5163.9-177.165.7-81.6000111.4C37 R38 L40 Y45 C71 R98C37-F96 HydrophobicContact CB-CD1 4.12Å; C37-F96 VanDerWaalsContact O-CD1 3.26Å; C37-F96 WeakPolarHBondContact O-CD1 3.17Å; C37-F96 WeakPolarHBondContact O-CE1 3.29Å; R38-F96 HydrophobicContact CG-CB 4.38Å; L40-F96 HydrophobicContact CD1-CE1 4.06Å; Y45-F96 HydrophobicContact CD1-CZ 4.07Å; Y45-F96 HydrophobicContact CD2-CE1 4.38Å; Y45-F96 AromaticContact CD2-CZ 3.65Å; Y45-F96 HydrophobicContact CD2-CZ 3.65Å; Y45-F96 HydrophobicContact CE1-CZ 4.37Å; Y45-F96 AromaticContact CE2-CZ 3.97Å; Y45-F96 HydrophobicContact CE2-CZ 3.97Å; Y45-F96 HydrophobicContact CG-CE1 4.09Å; Y45-F96 AromaticContact CG-CZ 3.7Å; Y45-F96 HydrophobicContact CG-CZ 3.7Å; C71-F96 WeakPolarHBondContact CA-O 3.41Å; C71-F96 HydrophobicContact CB-CD1 4.32Å; C71-F96 HydrophobicContact CB-CD2 4.17Å; C71-F96 HydrophobicContact CB-CE1 3.93Å; C71-F96 HydrophobicContact CB-CE2 3.78Å; C71-F96 HydrophobicContact CB-CG 4.44Å; C71-F96 HydrophobicContact CB-CZ 3.66Å; C71-F96 WeakPolarHBondContact CB-O 3.35Å; C71-F96 PolarHBondContact N-O 3.32Å; C71-F96 PolarHBondContact O-N 3.46Å; F96-R98 HydrophobicContact CE2-CB 4.45Å
97N93.3Very high91.6Very high90 Ų9067.6 Ų67.648%0.48139%0.385SS..EExtended strand (participates in β ladder)trans-106.4139.2177.4-64.67.4000109.8V69 D70V69-N97 CarbonylContact O-C 3.44Å; V69-N97 VanDerWaalsContact O-CA 3.3Å; V69-N97 WeakPolarHBondContact O-CA 3.31Å; D70-N97 PolarHBondContact OD1-ND2 2.82Å; D70-N97 PolarHBondContact OD1-OD1 2.81Å
98R92.1Very high91.9Very high109 Ų10967.6 Ų67.641%0.41138%0.381SS..EExtended strand (participates in β ladder)trans-116.9149.2176.4-156.4179-158.8-178.411.7110.4Y45 F68 V69 C71 F96Y45-R98 PolarHBondContact OH-NH1 3.34Å; Y45-R98 PolarHBondContact OH-NH2 2.85Å; Y45-R98 VanDerWaalsContact OH-NH2 3.12Å; F68-R98 WeakPolarHBondContact CA-O 3.15Å; V69-R98 HydrophobicContact CG2-CB 4.28Å; V69-R98 WeakPolarHBondContact CG2-O 3.2Å; V69-R98 PolarHBondContact N-O 3.12Å; V69-R98 PolarHBondContact O-N 2.98Å; C71-R98 VanDerWaalsContact SG-CB 3.57Å; F96-R98 HydrophobicContact CE2-CB 4.45Å
99T93.6Very high92Very high83 Ų8361.6 Ų61.651%0.50936%0.364SS..EExtended strand (participates in β ladder)trans-86.4131.8173.350.30000110.2A67 F68A67-T99 CarbonylContact O-C 3.14Å; A67-T99 WeakPolarHBondContact O-CA 3.04Å; F68-T99 HydrophobicContact CD1-CG2 3.92Å; F68-T99 HydrophobicContact CE1-CG2 3.61Å; F68-T99 HydrophobicContact CZ-CG2 4.29Å
100V93.5Very high92.2Very high52 Ų5263.5 Ų63.532%0.31537%0.371SS..EExtended strand (participates in β ladder)trans-112.1141.4168.8-79.20000108.7V66 A67 V69V66-V100 CarbonylContact C-O 3.57Å; V66-V100 WeakPolarHBondContact CA-O 3.5Å; A67-V100 HydrophobicContact CB-CG2 4.04Å; A67-V100 PolarHBondContact N-O 3.12Å; A67-V100 VanDerWaalsContact O-CG2 3.29Å; A67-V100 WeakPolarHBondContact O-CG2 3.02Å; A67-V100 PolarHBondContact O-N 3.24Å; V69-V100 HydrophobicContact CG1-CG1 4.43Å; V69-V100 HydrophobicContact CG1-CG2 3.64Å; V69-V100 HydrophobicContact CG2-CG1 3.86Å; V69-V100 HydrophobicContact CG2-CG2 4.22Å
101A92.6Very high92.4Very high97 Ų9765.7 Ų65.780%0.80237%0.37SS*.EExtended strand (participates in β ladder)trans-73.9135.6179.300000110.4
102C92.9Very high92.7Very high12 Ų1267.9 Ų67.98%0.08138%0.38CS..  trans-132.7168173.761.70000109.7P59 C62 G65 V66P59-C102 HydrophobicContact CG-CB 4.27Å; C62-C102 WeakPolarHBondContact CA-SG 3.33Å; C62-C102 HydrophobicContact CB-CB 3.84Å; C62-C102 WeakPolarHBondContact CB-SG 3.37Å; C62-C102 WeakPolarHBondContact SG-CB 3.43Å; C62-C102 CovalentContact SG-SG 2.03Å; C62-C102 PolarHBondContact SG-SG 2.03Å; G65-C102 CarbonylContact C-O 3.55Å; G65-C102 VanDerWaalsContact CA-O 3.28Å; G65-C102 WeakPolarHBondContact CA-O 3.44Å; G65-C102 PolarHBondContact O-N 3.37Å; V66-C102 PolarHBondContact N-SG 3.34Å
103R91.4Very high92.9Very high72 Ų7261.5 Ų61.527%0.27235%0.346SS..  trans-114.2149.1180-59.8-171-166.4164.51.8111.3E58 V105 S169 R178E58-R103 PolarHBondContact OE2-N 2.79Å; E58-R103 VanDerWaalsContact OE2-N 3.12Å; R103-V105 HydrophobicContact CB-CG1 4.36Å; R103-V105 PolarHBondContact O-N 2.83Å; R103-S169 VanDerWaalsContact CD-OG 3.31Å; R103-S169 WeakPolarHBondContact CD-OG 3.12Å; R103-R178 VanDerWaalsContact CZ-NE 3.32Å
104N92.3Very high93.1Very high126 Ų12658.1 Ų58.167%0.67433%0.332SS*.  trans-77.4102.7167.1-167.211.5000108.6S169N104-S169 PolarHBondContact O-N 2.92Å
105V93.4Very high93.3Very high19 Ų1957.1 Ų57.112%0.11533%0.33CS..EExtended strand (participates in β ladder)trans-100.6145.1177.4-61.70000109.8T56 E58 R103 S169 I171T56-V105 HydrophobicContact CG2-CG2 4.06Å; E58-V105 HydrophobicContact CG-CG1 3.9Å; E58-V105 HydrophobicContact CG-CG2 3.9Å; R103-V105 HydrophobicContact CB-CG1 4.36Å; R103-V105 PolarHBondContact O-N 2.83Å; V105-S169 WeakPolarHBondContact CA-O 2.81Å; V105-I171 HydrophobicContact CB-CG1 4Å; V105-I171 HydrophobicContact CG2-CG1 4.12Å
106T90.4Very high93.6Very high46 Ų4658.5 Ų58.528%0.28234%0.335SS..EExtended strand (participates in β ladder)trans-115.9179.2169.861.20000108.7Y108 S168 I171T106-Y108 PolarHBondContact O-N 3.07Å; T106-Y108 WeakPolarHBondContact OG1-CD2 3.31Å; T106-Y108 VanDerWaalsContact OG1-CE2 3.27Å; T106-Y108 WeakPolarHBondContact OG1-CE2 3.22Å; T106-S168 VanDerWaalsContact CG2-CB 3.41Å; T106-S168 WeakPolarHBondContact CG2-OG 3.36Å; T106-S168 PolarHBondContact OG1-OG 3.11Å; T106-I171 WeakPolarHBondContact O-CD1 3.5Å; T106-I171 VanDerWaalsContact O-CG1 3.31Å; T106-I171 WeakPolarHBondContact O-CG1 3.39Å
107G91.8Very high93.6Very high65 Ų6557.9 Ų57.967%0.6733%0.332SS*.EExtended strand (participates in β ladder)trans-63.117.6-174.400000117.2Y129G107-Y129 PolarHBondContact O-OH 3.01Å
108Y94.1Very high93.6Very high47 Ų4758.7 Ų58.718%0.18434%0.336CS..EExtended strand (participates in β ladder)trans-90.3108.5173.9-53-73.5000111.3T106 Y129 P164 D166 I171T106-Y108 PolarHBondContact O-N 3.07Å; T106-Y108 WeakPolarHBondContact OG1-CD2 3.31Å; T106-Y108 VanDerWaalsContact OG1-CE2 3.27Å; T106-Y108 WeakPolarHBondContact OG1-CE2 3.22Å; Y108-Y129 WeakPolarHBondContact CA-OH 3.21Å; Y108-Y129 HydrophobicContact CD1-CD1 4.37Å; Y108-Y129 HydrophobicContact CD1-CE1 4.06Å; Y108-Y129 HydrophobicContact CD1-CE2 4.34Å; Y108-Y129 VanDerWaalsContact CD1-O 3.27Å; Y108-Y129 WeakPolarHBondContact CD1-O 3.41Å; Y108-Y129 WeakPolarHBondContact CE1-O 3.45Å; Y108-P164 HydrophobicContact CD2-CB 3.4Å; Y108-P164 VanDerWaalsContact CD2-CB 3.4Å; Y108-P164 HydrophobicContact CD2-CG 3.45Å; Y108-P164 VanDerWaalsContact CD2-CG 3.45Å; Y108-P164 HydrophobicContact CE2-CB 3.64Å; Y108-P164 HydrophobicContact CE2-CG 4.22Å; Y108-P164 HydrophobicContact CG-CB 4.02Å; Y108-P164 HydrophobicContact CG-CG 3.81Å; Y108-D166 WeakPolarHBondContact CE2-OD2 3.34Å; Y108-D166 PolarHBondContact OH-OD2 3.44Å; Y108-I171 PolarHBondContact O-N 3.22Å
109S95Very high93.6Very high40 Ų4060.2 Ų60.228%0.2835%0.346SS..EExtended strand (participates in β ladder)trans-84.4128.6176.5-51.40000111.3K111 V112 A113 Y129S109-K111 VanDerWaalsContact C-N 3.33Å; S109-K111 PolarHBondContact O-N 3.28Å; S109-V112 PolarHBondContact O-N 3.24Å; S109-A113 PolarHBondContact O-N 3.03Å; S109-Y129 PolarHBondContact N-OH 2.88Å
110Y94.9Very high93.6Very high48 Ų4859.8 Ų59.819%0.18834%0.34CS..Hα-helixtrans-58.3-44.4177.7173.8-106.1000112.4V112 A113 V114 I157 A158 Q160 Y170 I171 V172Y110-V112 VanDerWaalsContact C-N 3.28Å; Y110-V112 PolarHBondContact O-N 3.39Å; Y110-A113 PolarHBondContact O-N 2.88Å; Y110-V114 HydrophobicContact CD1-CG2 4.31Å; Y110-V114 HydrophobicContact CD2-CG2 4.08Å; Y110-V114 HydrophobicContact CE1-CG2 3.9Å; Y110-V114 HydrophobicContact CE2-CG2 3.66Å; Y110-V114 HydrophobicContact CG-CG2 4.39Å; Y110-V114 WeakPolarHBondContact O-CG2 3.31Å; Y110-V114 PolarHBondContact O-N 3.27Å; Y110-I157 WeakPolarHBondContact CE2-O 3.41Å; Y110-A158 PolarHBondContact OH-O 2.97Å; Y110-Q160 HydrophobicContact CD2-CG 4Å; Y110-Q160 HydrophobicContact CE2-CG 3.51Å; Y110-Y170 HydrophobicContact CD2-CD2 4.41Å; Y110-Y170 HydrophobicContact CD2-CG 4.46Å; Y110-I171 WeakPolarHBondContact CB-O 3.36Å; Y110-I171 PolarHBondContact N-O 3Å; Y110-V172 HydrophobicContact CG-CG2 4.24Å
111K94.3Very high93.3Very high130 Ų13057.4 Ų57.457%0.56533%0.325SS*.Hα-helixtrans-59.9-40.3-179.2-65.7163.484.8164.70111.7S109 A115 D173S109-K111 VanDerWaalsContact C-N 3.33Å; S109-K111 PolarHBondContact O-N 3.28Å; K111-A115 WeakPolarHBondContact O-CB 3.28Å; K111-A115 PolarHBondContact O-N 3.19Å; K111-D173 IonicContact NZ-OD1 3.7Å; K111-D173 IonicContact NZ-OD2 2.82Å; K111-D173 PolarHBondContact NZ-OD2 3.44Å
112V95Very high93.1Very high63 Ų6359 Ų5938%0.38231%0.311SS..Hα-helixtrans-69.4-45.9177.11790000110.3S109 Y110 V114 A115 L116 Y129S109-V112 PolarHBondContact O-N 3.24Å; Y110-V112 VanDerWaalsContact C-N 3.28Å; Y110-V112 PolarHBondContact O-N 3.39Å; V112-V114 VanDerWaalsContact C-N 3.34Å; V112-V114 PolarHBondContact O-N 2.92Å; V112-A115 PolarHBondContact O-N 3.34Å; V112-L116 HydrophobicContact CG1-CD1 3.82Å; V112-L116 HydrophobicContact CG1-CG 4.12Å; V112-L116 WeakPolarHBondContact O-CB 3.43Å; V112-L116 VanDerWaalsContact O-CG 3.28Å; V112-L116 WeakPolarHBondContact O-CG 3.38Å; V112-L116 PolarHBondContact O-N 3.01Å; V112-Y129 HydrophobicContact CB-CE1 4.49Å; V112-Y129 HydrophobicContact CG1-CE1 4.37Å; V112-Y129 HydrophobicContact CG1-CE2 4.25Å
113A95.3Very high93Very high0 Ų060.8 Ų60.80%032%0.319CS..Hα-helixtrans-58.2-44.3177.700000112.4S109 Y110 L116 S117 Y129 L130 I157 Y170S109-A113 PolarHBondContact O-N 3.03Å; Y110-A113 PolarHBondContact O-N 2.88Å; A113-L116 PolarHBondContact O-N 3.01Å; A113-S117 WeakPolarHBondContact O-CB 3.44Å; A113-S117 PolarHBondContact O-N 3.26Å; A113-Y129 HydrophobicContact CB-CD1 4.02Å; A113-Y129 HydrophobicContact CB-CE1 4.04Å; A113-L130 HydrophobicContact CB-CD2 4.43Å; A113-I157 HydrophobicContact CB-CG2 4.08Å; A113-Y170 HydrophobicContact CB-CE1 4.14Å
114V95.3Very high93Very high32 Ų3257.4 Ų57.419%0.19431%0.307CS..Hα-helixtrans-64.7-45.6176.8173.80000111.2Y110 V112 S117 L118 F154 I157Y110-V114 HydrophobicContact CD1-CG2 4.31Å; Y110-V114 HydrophobicContact CD2-CG2 4.08Å; Y110-V114 HydrophobicContact CE1-CG2 3.9Å; Y110-V114 HydrophobicContact CE2-CG2 3.66Å; Y110-V114 HydrophobicContact CG-CG2 4.39Å; Y110-V114 WeakPolarHBondContact O-CG2 3.31Å; Y110-V114 PolarHBondContact O-N 3.27Å; V112-V114 VanDerWaalsContact C-N 3.34Å; V112-V114 PolarHBondContact O-N 2.92Å; V114-S117 PolarHBondContact O-N 3.39Å; V114-L118 PolarHBondContact O-N 3.39Å; V114-F154 HydrophobicContact CG1-CE2 3.91Å; V114-I157 HydrophobicContact CG2-CG2 3.92Å
115A96.1Very high93Very high40 Ų4052.4 Ų52.433%0.33128%0.283SS..Hα-helixtrans-62.7-43.2177.900000112K111 V112 S117 L118 F119K111-A115 WeakPolarHBondContact O-CB 3.28Å; K111-A115 PolarHBondContact O-N 3.19Å; V112-A115 PolarHBondContact O-N 3.34Å; A115-S117 VanDerWaalsContact C-N 3.31Å; A115-S117 PolarHBondContact O-N 2.7Å; A115-L118 PolarHBondContact O-N 2.7Å; A115-F119 HydrophobicContact CB-CD2 4.44Å; A115-F119 WeakPolarHBondContact O-CD2 3.29Å; A115-F119 PolarHBondContact O-N 2.83Å
116L95.1Very high93Very high42 Ų4251.5 Ų51.522%0.2228%0.277CS..Hα-helixtrans-63.1-37.4176.2-72.7176.7000112V112 A113 L120 G121 Y129V112-L116 HydrophobicContact CG1-CD1 3.82Å; V112-L116 HydrophobicContact CG1-CG 4.12Å; V112-L116 WeakPolarHBondContact O-CB 3.43Å; V112-L116 VanDerWaalsContact O-CG 3.28Å; V112-L116 WeakPolarHBondContact O-CG 3.38Å; V112-L116 PolarHBondContact O-N 3.01Å; A113-L116 PolarHBondContact O-N 3.01Å; L116-L120 CarbonylContact O-C 3.58Å; L116-L120 VanDerWaalsContact O-CA 3.27Å; L116-L120 WeakPolarHBondContact O-CA 3.35Å; L116-L120 PolarHBondContact O-N 2.9Å; L116-G121 PolarHBondContact O-N 3.42Å; L116-Y129 HydrophobicContact CD1-CD1 4.23Å; L116-Y129 HydrophobicContact CD1-CD2 4.02Å; L116-Y129 HydrophobicContact CD1-CG 3.72Å
117S93.7Very high93.2Very high2 Ų249.9 Ų49.91%0.01427%0.266CS..Hα-helixtrans-67.8-39.2176.3-162.60000112A113 V114 A115 G121 D126 F154A113-S117 WeakPolarHBondContact O-CB 3.44Å; A113-S117 PolarHBondContact O-N 3.26Å; V114-S117 PolarHBondContact O-N 3.39Å; A115-S117 VanDerWaalsContact C-N 3.31Å; A115-S117 PolarHBondContact O-N 2.7Å; S117-G121 WeakPolarHBondContact O-CA 3.28Å; S117-G121 PolarHBondContact O-N 2.74Å; S117-D126 PolarHBondContact OG-OD2 2.96Å; S117-F154 WeakPolarHBondContact OG-CA 3.32Å; S117-F154 PolarHBondContact OG-N 2.89Å
118L92.9Very high93.3Very high107 Ų10751.2 Ų51.256%0.5625%0.254SS*.Hα-helixtrans-70-47.7178.8-172.467.9000112.8V114 A115 F154V114-L118 PolarHBondContact O-N 3.39Å; A115-L118 PolarHBondContact O-N 2.7Å; L118-F154 HydrophobicContact CB-CD2 4.48Å; L118-F154 HydrophobicContact CD1-CD2 4.48Å; L118-F154 HydrophobicContact CD1-CE2 4.36Å
119F92.9Very high93.3Very high142 Ų14251.8 Ų51.862%0.62326%0.256SS*.Hα-helixtrans-92.7-37.3-172.2-64-65.9000113.6A115 W122A115-F119 HydrophobicContact CB-CD2 4.44Å; A115-F119 WeakPolarHBondContact O-CD2 3.29Å; A115-F119 PolarHBondContact O-N 2.83Å; F119-W122 PolarHBondContact O-NE1 3.43Å
120L92.8Very high93.3Very high74 Ų7449.9 Ų49.939%0.38724%0.243SC..Hα-helixtrans-119.916.4-175.1-75.578.6000112.5L116 W122 L123 G124 A125L116-L120 CarbonylContact O-C 3.58Å; L116-L120 VanDerWaalsContact O-CA 3.27Å; L116-L120 WeakPolarHBondContact O-CA 3.35Å; L116-L120 PolarHBondContact O-N 2.9Å; L120-W122 VanDerWaalsContact C-N 3.27Å; L120-W122 PolarHBondContact O-N 2.82Å; L120-L123 PolarHBondContact O-N 3.18Å; L120-G124 PolarHBondContact O-N 2.93Å; L120-A125 HydrophobicContact CB-CB 3.57Å; L120-A125 HydrophobicContact CD2-CB 4.19Å; L120-A125 PolarHBondContact O-N 2.9Å
121G88.2Confident93.3Very high1 Ų149.3 Ų49.31%0.0125%0.251CS..G310 helixtrans-63.5-3118000000113.6L116 S117 L123 G124 T150L116-G121 PolarHBondContact O-N 3.42Å; S117-G121 WeakPolarHBondContact O-CA 3.28Å; S117-G121 PolarHBondContact O-N 2.74Å; G121-L123 PolarHBondContact O-N 3Å; G121-G124 WeakPolarHBondContact O-CA 3.31Å; G121-G124 PolarHBondContact O-N 3.45Å; G121-T150 VanDerWaalsContact C-CG2 3.43Å
122W86.8Confident93.3Very high131 Ų13146.6 Ų46.650%0.49624%0.238SC..G310 helixtrans-67.7-24.317863.4-83.8000113.1F119 L120 G144 T150F119-W122 PolarHBondContact O-NE1 3.43Å; L120-W122 VanDerWaalsContact C-N 3.27Å; L120-W122 PolarHBondContact O-N 2.82Å; W122-G144 PolarHBondContact O-N 3.49Å; W122-T150 HydrophobicContact CB-CG2 3.77Å; W122-T150 VanDerWaalsContact N-CG2 3.27Å
123L90.9Very high93.2Very high50 Ų5047.6 Ų47.626%0.26225%0.245SC..G310 helixtrans-86.6-9.8170.2-64.9173.9000112.6L120 G121 A125 F140L120-L123 PolarHBondContact O-N 3.18Å; G121-L123 PolarHBondContact O-N 3Å; L123-A125 VanDerWaalsContact C-N 3.35Å; L123-F140 HydrophobicContact CD2-CD2 3.78Å; L123-F140 HydrophobicContact CD2-CE2 3.79Å
124G91Very high93.2Very high0 Ų051.4 Ų51.40%028%0.277CS..THydrogen-bonded Turntrans74.419.6-174.300000114.8L120 G121 D126 R127 F128L120-G124 PolarHBondContact O-N 2.93Å; G121-G124 WeakPolarHBondContact O-CA 3.31Å; G121-G124 PolarHBondContact O-N 3.45Å; G124-D126 PolarHBondContact O-N 3.18Å; G124-R127 PolarHBondContact O-N 3.35Å; G124-F128 WeakPolarHBondContact O-CD2 3.37Å; G124-F128 PolarHBondContact O-N 3.41Å; G124-F128 VanDerWaalsContact O-N 3.13Å
125A93.8Very high93Very high21 Ų2154 Ų5417%0.17429%0.29CS..Hα-helixtrans-58.7-32.4-178.800000112.8L120 L123 F128 Y129L120-A125 HydrophobicContact CB-CB 3.57Å; L120-A125 HydrophobicContact CD2-CB 4.19Å; L120-A125 PolarHBondContact O-N 2.9Å; L123-A125 VanDerWaalsContact C-N 3.35Å; A125-F128 PolarHBondContact O-N 3.47Å; A125-Y129 WeakPolarHBondContact O-CB 3.34Å; A125-Y129 PolarHBondContact O-N 3.34Å
126D93.6Very high92.8Very high0 Ų052.1 Ų52.10%027%0.274CS..Hα-helixtrans-60.6-41.9174.262.7-20.8000112.8S117 G124 Y129 L130 K139 D153 I157S117-D126 PolarHBondContact OG-OD2 2.96Å; G124-D126 PolarHBondContact O-N 3.18Å; D126-Y129 PolarHBondContact O-N 2.88Å; D126-L130 VanDerWaalsContact O-CG 3.26Å; D126-L130 WeakPolarHBondContact O-CG 3.43Å; D126-L130 PolarHBondContact O-N 3.02Å; D126-K139 IonicContact OD1-NZ 3.1Å; D126-K139 PolarHBondContact OD1-NZ 3.07Å; D126-K139 IonicContact OD2-NZ 2.7Å; D126-K139 PolarHBondContact OD2-NZ 3.35Å; D126-D153 WeakPolarHBondContact OD2-CB 2.99Å; D126-I157 HydrophobicContact CB-CD1 3.79Å
127R93.4Very high92.7Very high13 Ų1354.7 Ų54.75%0.04929%0.287CS..Hα-helixtrans-73.8-36.2176.5-65.7-62.8177-164.4-1.6112.4G124 Y129 L130 G131 Y132 L135 K139 D153G124-R127 PolarHBondContact O-N 3.35Å; R127-Y129 VanDerWaalsContact C-N 3.35Å; R127-L130 PolarHBondContact O-N 2.89Å; R127-G131 PolarHBondContact O-N 2.98Å; R127-Y132 CarbonylContact O-C 3.6Å; R127-Y132 WeakPolarHBondContact O-CA 3.14Å; R127-Y132 PolarHBondContact O-N 3.28Å; R127-L135 HydrophobicContact CB-CB 4.34Å; R127-L135 HydrophobicContact CG-CB 4.2Å; R127-K139 HydrophobicContact CG-CD 4.25Å; R127-K139 VanDerWaalsContact CG-CE 3.44Å; R127-K139 VanDerWaalsContact CG-NZ 3.28Å; R127-D153 IonicContact CZ-OD1 2.89Å; R127-D153 IonicContact NE-OD1 2.95Å; R127-D153 PolarHBondContact NE-OD1 3.1Å; R127-D153 IonicContact NH2-OD1 3.2Å; R127-D153 PolarHBondContact NH2-OD1 2.99Å
128F94.4Very high92.5Very high93 Ų9359.5 Ų59.541%0.40831%0.312SS..Hα-helixtrans-63.5-42.3172.4-70.1-62.1000111.7G124 A125 L130 G131 P133 G136 L137G124-F128 WeakPolarHBondContact O-CD2 3.37Å; G124-F128 PolarHBondContact O-N 3.41Å; G124-F128 VanDerWaalsContact O-N 3.13Å; A125-F128 PolarHBondContact O-N 3.47Å; F128-L130 VanDerWaalsContact C-N 3.3Å; F128-L130 PolarHBondContact O-N 2.98Å; F128-G131 PolarHBondContact O-N 3.49Å; F128-P133 HydrophobicContact CD1-CB 4.25Å; F128-P133 HydrophobicContact CE1-CB 4.2Å; F128-P133 VanDerWaalsContact CE1-O 3.3Å; F128-P133 WeakPolarHBondContact CE1-O 3.25Å; F128-G136 VanDerWaalsContact CE2-C 3.47Å; F128-L137 HydrophobicContact CZ-CB 4.23Å
129Y94.9Very high92.3Very high59 Ų5955.2 Ų55.223%0.23129%0.289CS..Hα-helixtrans-60.5-39.6176.9-178.8-111.6000112.3G107 Y108 S109 V112 A113 L116 A125 D126 R127 G131G107-Y129 PolarHBondContact O-OH 3.01Å; Y108-Y129 WeakPolarHBondContact CA-OH 3.21Å; Y108-Y129 HydrophobicContact CD1-CD1 4.37Å; Y108-Y129 HydrophobicContact CD1-CE1 4.06Å; Y108-Y129 HydrophobicContact CD1-CE2 4.34Å; Y108-Y129 VanDerWaalsContact CD1-O 3.27Å; Y108-Y129 WeakPolarHBondContact CD1-O 3.41Å; Y108-Y129 WeakPolarHBondContact CE1-O 3.45Å; S109-Y129 PolarHBondContact N-OH 2.88Å; V112-Y129 HydrophobicContact CB-CE1 4.49Å; V112-Y129 HydrophobicContact CG1-CE1 4.37Å; V112-Y129 HydrophobicContact CG1-CE2 4.25Å; A113-Y129 HydrophobicContact CB-CD1 4.02Å; A113-Y129 HydrophobicContact CB-CE1 4.04Å; L116-Y129 HydrophobicContact CD1-CD1 4.23Å; L116-Y129 HydrophobicContact CD1-CD2 4.02Å; L116-Y129 HydrophobicContact CD1-CG 3.72Å; A125-Y129 WeakPolarHBondContact O-CB 3.34Å; A125-Y129 PolarHBondContact O-N 3.34Å; D126-Y129 PolarHBondContact O-N 2.88Å; R127-Y129 VanDerWaalsContact C-N 3.35Å; Y129-G131 VanDerWaalsContact C-N 3.27Å; Y129-G131 PolarHBondContact O-N 3.22Å
130L94.4Very high92.2Very high0 Ų053.8 Ų53.80%028%0.283CS..THydrogen-bonded Turntrans-80.80.7180-63.3176.2000114.5A113 D126 R127 F128 Y132 I157 P164 A165 Y170A113-L130 HydrophobicContact CB-CD2 4.43Å; D126-L130 VanDerWaalsContact O-CG 3.26Å; D126-L130 WeakPolarHBondContact O-CG 3.43Å; D126-L130 PolarHBondContact O-N 3.02Å; R127-L130 PolarHBondContact O-N 2.89Å; F128-L130 VanDerWaalsContact C-N 3.3Å; F128-L130 PolarHBondContact O-N 2.98Å; L130-Y132 HydrophobicContact CB-CD2 3.73Å; L130-Y132 HydrophobicContact CB-CE2 3.96Å; L130-I157 HydrophobicContact CD1-CD1 4.03Å; L130-I157 HydrophobicContact CD1-CG1 4.23Å; L130-P164 HydrophobicContact CD2-CG 4.34Å; L130-A165 VanDerWaalsContact O-CB 3.31Å; L130-A165 WeakPolarHBondContact O-CB 3.31Å; L130-A165 PolarHBondContact O-N 3Å; L130-Y170 VanDerWaalsContact CD1-OH 3.32Å; L130-Y170 WeakPolarHBondContact CD1-OH 3.43Å; L130-Y170 HydrophobicContact CD2-CE1 3.41Å; L130-Y170 VanDerWaalsContact CD2-CE1 3.41Å; L130-Y170 WeakPolarHBondContact CD2-OH 3.43Å
131G94.7Very high91.9Very high35 Ų3554.8 Ų54.836%0.36130%0.295SS..THydrogen-bonded Turntrans83.622.1-17900000114.9R127 F128 Y129 P133R127-G131 PolarHBondContact O-N 2.98Å; F128-G131 PolarHBondContact O-N 3.49Å; Y129-G131 VanDerWaalsContact C-N 3.27Å; Y129-G131 PolarHBondContact O-N 3.22Å; G131-P133 WeakPolarHBondContact O-CD 3.24Å
132Y94.2Very high91.8Very high73 Ų7357 Ų5729%0.28631%0.308SS..  trans-106.873174.2-61.1-74.1000112.1R127 L130 A134 L135 G136 V162 G163 A165R127-Y132 CarbonylContact O-C 3.6Å; R127-Y132 WeakPolarHBondContact O-CA 3.14Å; R127-Y132 PolarHBondContact O-N 3.28Å; L130-Y132 HydrophobicContact CB-CD2 3.73Å; L130-Y132 HydrophobicContact CB-CE2 3.96Å; Y132-A134 PolarHBondContact O-N 3.37Å; Y132-L135 HydrophobicContact CD1-CD1 4.41Å; Y132-L135 HydrophobicContact CG-CD1 4.37Å; Y132-L135 PolarHBondContact O-N 3.18Å; Y132-G136 PolarHBondContact O-N 2.95Å; Y132-V162 HydrophobicContact CE2-CG1 4.08Å; Y132-G163 WeakPolarHBondContact CE2-O 3.05Å; Y132-G163 PolarHBondContact OH-O 3.32Å; Y132-A165 HydrophobicContact CD1-CB 4.29Å; Y132-A165 HydrophobicContact CE1-CB 3.92Å; Y132-A165 HydrophobicContact CE2-CB 4.27Å
133P93.7Very high91.4Very high84 Ų8455.8 Ų55.855%0.54532%0.315SS..Hα-helixtrans-66.9-36.3-171.826.6-35.4000113.5F128 G131 G136 L137F128-P133 HydrophobicContact CD1-CB 4.25Å; F128-P133 HydrophobicContact CE1-CB 4.2Å; F128-P133 VanDerWaalsContact CE1-O 3.3Å; F128-P133 WeakPolarHBondContact CE1-O 3.25Å; G131-P133 WeakPolarHBondContact O-CD 3.24Å; P133-G136 PolarHBondContact O-N 2.86Å; P133-L137 WeakPolarHBondContact O-CB 3.27Å; P133-L137 PolarHBondContact O-N 3.4Å
134A93.9Very high90.3Very high81 Ų8153.5 Ų53.567%0.66930%0.303SS*.Hα-helixtrans-64.7-42.2178.900000112.1Y132 L137 L138Y132-A134 PolarHBondContact O-N 3.37Å; A134-L137 PolarHBondContact O-N 3.4Å; A134-L138 WeakPolarHBondContact O-CB 3.26Å; A134-L138 PolarHBondContact O-N 2.7Å
135L91.4Very high89Confident87 Ų8759.9 Ų59.946%0.45533%0.331SS..Hα-helixtrans-69.8-37.8176.5-66.9176.4000111.6R127 Y132 L138 K139R127-L135 HydrophobicContact CB-CB 4.34Å; R127-L135 HydrophobicContact CG-CB 4.2Å; Y132-L135 HydrophobicContact CD1-CD1 4.41Å; Y132-L135 HydrophobicContact CG-CD1 4.37Å; Y132-L135 PolarHBondContact O-N 3.18Å; L135-L138 PolarHBondContact O-N 3.23Å; L135-K139 WeakPolarHBondContact O-CG 3.39Å; L135-K139 PolarHBondContact O-N 2.65Å; L135-K139 VanDerWaalsContact O-N 3.14Å
136G91.9Very high88.3Confident0 Ų065.1 Ų65.10%037%0.366CS..Hα-helixtrans-59.7-47.6173.200000112.2F128 Y132 P133 L138 K139 F140F128-G136 VanDerWaalsContact CE2-C 3.47Å; Y132-G136 PolarHBondContact O-N 2.95Å; P133-G136 PolarHBondContact O-N 2.86Å; G136-L138 PolarHBondContact O-N 3.39Å; G136-K139 PolarHBondContact O-N 3.23Å; G136-F140 PolarHBondContact O-N 2.99Å
137L92.3Very high87.7Confident95 Ų9566.8 Ų66.850%0.49738%0.382SS..Hα-helixtrans-67.2-37.6179.9-173.263.7000112.1F128 P133 A134 K139 F140 C141F128-L137 HydrophobicContact CZ-CB 4.23Å; P133-L137 WeakPolarHBondContact O-CB 3.27Å; P133-L137 PolarHBondContact O-N 3.4Å; A134-L137 PolarHBondContact O-N 3.4Å; L137-K139 VanDerWaalsContact C-N 3.32Å; L137-K139 PolarHBondContact O-N 3.3Å; L137-F140 HydrophobicContact CD1-CD1 4.27Å; L137-F140 PolarHBondContact O-N 3.15Å; L137-C141 WeakPolarHBondContact O-CB 3.14Å; L137-C141 PolarHBondContact O-N 3.26Å; L137-C141 PolarHBondContact O-SG 3.38Å
138L91Very high87.4Confident103 Ų10371.5 Ų71.554%0.53941%0.407SS..Hα-helixtrans-59-43.8174.8-175.4150.4000111.4A134 L135 G136 T142A134-L138 WeakPolarHBondContact O-CB 3.26Å; A134-L138 PolarHBondContact O-N 2.7Å; L135-L138 PolarHBondContact O-N 3.23Å; G136-L138 PolarHBondContact O-N 3.39Å; L138-T142 WeakPolarHBondContact O-CB 3.36Å; L138-T142 WeakPolarHBondContact O-CG2 2.99Å; L138-T142 PolarHBondContact O-N 3.27Å; L138-T142 PolarHBondContact O-OG1 3.43Å
139K88.3Confident87.2Confident17 Ų1767.9 Ų67.97%0.07440%0.396CS..Hα-helixtrans-64.5-43.8174.6-68.1176.5-174.6-1660112.1D126 R127 L135 G136 L137 T142 V143 G144 D153D126-K139 IonicContact OD1-NZ 3.1Å; D126-K139 PolarHBondContact OD1-NZ 3.07Å; D126-K139 IonicContact OD2-NZ 2.7Å; D126-K139 PolarHBondContact OD2-NZ 3.35Å; R127-K139 HydrophobicContact CG-CD 4.25Å; R127-K139 VanDerWaalsContact CG-CE 3.44Å; R127-K139 VanDerWaalsContact CG-NZ 3.28Å; L135-K139 WeakPolarHBondContact O-CG 3.39Å; L135-K139 PolarHBondContact O-N 2.65Å; L135-K139 VanDerWaalsContact O-N 3.14Å; G136-K139 PolarHBondContact O-N 3.23Å; L137-K139 VanDerWaalsContact C-N 3.32Å; L137-K139 PolarHBondContact O-N 3.3Å; K139-T142 WeakPolarHBondContact CA-OG1 3.32Å; K139-T142 CarbonylContact O-C 3.51Å; K139-T142 PolarHBondContact O-N 3.08Å; K139-T142 PolarHBondContact O-OG1 3.47Å; K139-T142 VanDerWaalsContact O-OG1 3.08Å; K139-V143 PolarHBondContact O-N 3.42Å; K139-V143 VanDerWaalsContact O-N 3.11Å; K139-G144 PolarHBondContact O-N 2.93Å; K139-D153 WeakPolarHBondContact CE-OD1 3.42Å; K139-D153 WeakPolarHBondContact CE-OD2 3.25Å; K139-D153 IonicContact NZ-OD1 2.63Å; K139-D153 PolarHBondContact NZ-OD1 2.66Å; K139-D153 VanDerWaalsContact NZ-OD1 3.1Å; K139-D153 IonicContact NZ-OD2 3.17Å; K139-D153 PolarHBondContact NZ-OD2 3.05Å
140F89.9Confident86.9Confident113 Ų11366.5 Ų66.550%0.49639%0.394SS..Hα-helixtrans-60.1-48.5179.8179.3-103.4000112L123 G136 L137 T142 V143L123-F140 HydrophobicContact CD2-CD2 3.78Å; L123-F140 HydrophobicContact CD2-CE2 3.79Å; G136-F140 PolarHBondContact O-N 2.99Å; L137-F140 HydrophobicContact CD1-CD1 4.27Å; L137-F140 PolarHBondContact O-N 3.15Å; F140-T142 PolarHBondContact O-N 3.2Å; F140-V143 PolarHBondContact O-N 3.01Å; F140-V143 VanDerWaalsContact O-N 3.15Å
141C88Confident86.7Confident94 Ų9471.4 Ų71.464%0.63542%0.42SS*.Hα-helixtrans-64.2-24.4178.8-67.70000113.3L137L137-C141 WeakPolarHBondContact O-CB 3.14Å; L137-C141 PolarHBondContact O-N 3.26Å; L137-C141 PolarHBondContact O-SG 3.38Å
142T85.9Confident86.6Confident47 Ų4774 Ų7429%0.28842%0.424SS..THydrogen-bonded Turntrans-100.89.3-178.757.90000112.5L138 K139 F140 G144 F145L138-T142 WeakPolarHBondContact O-CB 3.36Å; L138-T142 WeakPolarHBondContact O-CG2 2.99Å; L138-T142 PolarHBondContact O-N 3.27Å; L138-T142 PolarHBondContact O-OG1 3.43Å; K139-T142 WeakPolarHBondContact CA-OG1 3.32Å; K139-T142 CarbonylContact O-C 3.51Å; K139-T142 PolarHBondContact O-N 3.08Å; K139-T142 PolarHBondContact O-OG1 3.47Å; K139-T142 VanDerWaalsContact O-OG1 3.08Å; F140-T142 PolarHBondContact O-N 3.2Å; T142-G144 PolarHBondContact O-N 3.13Å; T142-F145 HydrophobicContact CG2-CD2 3.63Å; T142-F145 HydrophobicContact CG2-CE2 3.34Å; T142-F145 HydrophobicContact CG2-CZ 4.32Å; T142-F145 PolarHBondContact O-N 2.87Å; T142-F145 VanDerWaalsContact OG1-CD2 3.32Å; T142-F145 WeakPolarHBondContact OG1-CD2 3.27Å
143V77.7Confident86.5Confident106 Ų10671.2 Ų71.264%0.64241%0.414SS*.G310 helixtrans48.944.1-175.8-164.50000110.8K139 F140 F145K139-V143 PolarHBondContact O-N 3.42Å; K139-V143 VanDerWaalsContact O-N 3.11Å; F140-V143 PolarHBondContact O-N 3.01Å; F140-V143 VanDerWaalsContact O-N 3.15Å; V143-F145 VanDerWaalsContact C-N 3.27Å; V143-F145 PolarHBondContact O-N 3.29Å
144G67.4Low86.5Confident2 Ų270.3 Ų70.32%0.02140%0.402CS..G310 helixtrans69.912.8179.100000115.9W122 K139 T142 G147 G149W122-G144 PolarHBondContact O-N 3.49Å; K139-G144 PolarHBondContact O-N 2.93Å; T142-G144 PolarHBondContact O-N 3.13Å; G144-G147 PolarHBondContact O-N 3.06Å; G144-G149 PolarHBondContact O-N 2.94Å
145F65.1Low86.5Confident134 Ų13470.1 Ų70.159%0.58839%0.389SS*.G310 helixtrans52.856.5-177.4-108.6-77.7000113.3T142 V143 G147 I148T142-F145 HydrophobicContact CG2-CD2 3.63Å; T142-F145 HydrophobicContact CG2-CE2 3.34Å; T142-F145 HydrophobicContact CG2-CZ 4.32Å; T142-F145 PolarHBondContact O-N 2.87Å; T142-F145 VanDerWaalsContact OG1-CD2 3.32Å; T142-F145 WeakPolarHBondContact OG1-CD2 3.27Å; V143-F145 VanDerWaalsContact C-N 3.27Å; V143-F145 PolarHBondContact O-N 3.29Å; F145-G147 PolarHBondContact O-N 3.49Å; F145-I148 PolarHBondContact O-N 2.93Å
146C78.5Confident86.6Confident132 Ų13268.5 Ų68.589%0.89238%0.381SS*.G310 helixtrans6221.6176-122.90000115.4I148C146-I148 VanDerWaalsContact C-N 3.3Å; C146-I148 PolarHBondContact O-N 2.99Å
147G80.1Confident86.7Confident34 Ų3468.5 Ų68.535%0.35138%0.381SS..G310 helixtrans85.8-8.3-179.300000114.8G144 F145 T150 L151G144-G147 PolarHBondContact O-N 3.06Å; F145-G147 PolarHBondContact O-N 3.49Å; G147-T150 WeakPolarHBondContact CA-OG1 3.15Å; G147-T150 PolarHBondContact O-OG1 3.27Å; G147-L151 PolarHBondContact O-N 3.44Å
148I88.5Confident86.8Confident112 Ų11265.3 Ų65.357%0.57437%0.368SS*.Hα-helixtrans-72-43.4174.8-61.3174.4000110F145 C146 T150 L151 I152F145-I148 PolarHBondContact O-N 2.93Å; C146-I148 VanDerWaalsContact C-N 3.3Å; C146-I148 PolarHBondContact O-N 2.99Å; I148-T150 VanDerWaalsContact C-N 3.33Å; I148-T150 PolarHBondContact O-N 3.23Å; I148-L151 PolarHBondContact O-N 3.12Å; I148-I152 HydrophobicContact CG2-CD1 3.81Å; I148-I152 HydrophobicContact CG2-CG1 4.38Å; I148-I152 WeakPolarHBondContact O-CG1 3.27Å; I148-I152 PolarHBondContact O-N 2.92Å
149G88.5Confident86.9Confident17 Ų1764.7 Ų64.718%0.17536%0.363CS..Hα-helixtrans-56.4-50.7176.700000110.9G144 L151 I152 D153G144-G149 PolarHBondContact O-N 2.94Å; G149-L151 VanDerWaalsContact C-N 3.29Å; G149-L151 PolarHBondContact O-N 3.45Å; G149-I152 PolarHBondContact O-N 3.35Å; G149-I152 VanDerWaalsContact O-N 3.13Å; G149-D153 PolarHBondContact O-N 3.17Å
150T89Confident87.1Confident30 Ų3065.6 Ų65.618%0.18437%0.368CS..Hα-helixtrans-59.3-38.6-18067.20000113G121 W122 G147 I148 F154G121-T150 VanDerWaalsContact C-CG2 3.43Å; W122-T150 HydrophobicContact CB-CG2 3.77Å; W122-T150 VanDerWaalsContact N-CG2 3.27Å; G147-T150 WeakPolarHBondContact CA-OG1 3.15Å; G147-T150 PolarHBondContact O-OG1 3.27Å; I148-T150 VanDerWaalsContact C-N 3.33Å; I148-T150 PolarHBondContact O-N 3.23Å; T150-F154 WeakPolarHBondContact O-CB 3.49Å; T150-F154 PolarHBondContact O-N 2.66Å
151L91.8Very high87.1Confident103 Ų10366.1 Ų66.154%0.53937%0.373SS..Hα-helixtrans-67.3-44.3176.4-177.864.8000112G147 I148 G149 D153 F154 I155G147-L151 PolarHBondContact O-N 3.44Å; I148-L151 PolarHBondContact O-N 3.12Å; G149-L151 VanDerWaalsContact C-N 3.29Å; G149-L151 PolarHBondContact O-N 3.45Å; L151-D153 VanDerWaalsContact C-N 3.33Å; L151-D153 PolarHBondContact O-N 2.63Å; L151-F154 PolarHBondContact O-N 2.65Å; L151-I155 HydrophobicContact CD1-CD1 4.38Å; L151-I155 HydrophobicContact CG-CD1 4.15Å; L151-I155 WeakPolarHBondContact O-CG1 3.5Å; L151-I155 PolarHBondContact O-N 3.32Å
152I91.9Very high87.3Confident90 Ų9063.1 Ų63.146%0.46235%0.352SS..Hα-helixtrans-61.4-45.4177.7-69.1169.5000110.2I148 G149 I155 L156I148-I152 HydrophobicContact CG2-CD1 3.81Å; I148-I152 HydrophobicContact CG2-CG1 4.38Å; I148-I152 WeakPolarHBondContact O-CG1 3.27Å; I148-I152 PolarHBondContact O-N 2.92Å; G149-I152 PolarHBondContact O-N 3.35Å; G149-I152 VanDerWaalsContact O-N 3.13Å; I152-I155 PolarHBondContact O-N 3.18Å; I152-L156 HydrophobicContact CG2-CD1 3.88Å; I152-L156 HydrophobicContact CG2-CG 4.32Å; I152-L156 VanDerWaalsContact O-CG 3.3Å; I152-L156 WeakPolarHBondContact O-CG 3.3Å; I152-L156 PolarHBondContact O-N 3.12Å
153D91.3Very high87.6Confident14 Ų1462.2 Ų62.28%0.07535%0.352CS..Hα-helixtrans-65.7-40.6-179.8-67.4-73.6000112.9D126 R127 K139 G149 L151 I155 L156 I157D126-D153 WeakPolarHBondContact OD2-CB 2.99Å; R127-D153 IonicContact CZ-OD1 2.89Å; R127-D153 IonicContact NE-OD1 2.95Å; R127-D153 PolarHBondContact NE-OD1 3.1Å; R127-D153 IonicContact NH2-OD1 3.2Å; R127-D153 PolarHBondContact NH2-OD1 2.99Å; K139-D153 WeakPolarHBondContact CE-OD1 3.42Å; K139-D153 WeakPolarHBondContact CE-OD2 3.25Å; K139-D153 IonicContact NZ-OD1 2.63Å; K139-D153 PolarHBondContact NZ-OD1 2.66Å; K139-D153 VanDerWaalsContact NZ-OD1 3.1Å; K139-D153 IonicContact NZ-OD2 3.17Å; K139-D153 PolarHBondContact NZ-OD2 3.05Å; G149-D153 PolarHBondContact O-N 3.17Å; L151-D153 VanDerWaalsContact C-N 3.33Å; L151-D153 PolarHBondContact O-N 2.63Å; D153-I155 VanDerWaalsContact C-N 3.32Å; D153-I155 PolarHBondContact O-N 3.5Å; D153-L156 PolarHBondContact O-N 3.19Å; D153-I157 WeakPolarHBondContact O-CG1 3.46Å; D153-I157 PolarHBondContact O-N 2.81Å
154F94.1Very high88.4Confident65 Ų6557.3 Ų57.329%0.28532%0.322SS..Hα-helixtrans-56.7-47.5173172.2-101000111.1V114 S117 L118 T150 L151 L156 I157 A158V114-F154 HydrophobicContact CG1-CE2 3.91Å; S117-F154 WeakPolarHBondContact OG-CA 3.32Å; S117-F154 PolarHBondContact OG-N 2.89Å; L118-F154 HydrophobicContact CB-CD2 4.48Å; L118-F154 HydrophobicContact CD1-CD2 4.48Å; L118-F154 HydrophobicContact CD1-CE2 4.36Å; T150-F154 WeakPolarHBondContact O-CB 3.49Å; T150-F154 PolarHBondContact O-N 2.66Å; L151-F154 PolarHBondContact O-N 2.65Å; F154-L156 PolarHBondContact O-N 3.06Å; F154-I157 PolarHBondContact O-N 3.13Å; F154-A158 WeakPolarHBondContact O-CB 3.36Å; F154-A158 PolarHBondContact O-N 3.33Å
155I94.7Very high89.7Confident78 Ų7859.4 Ų59.440%0.434%0.339SS..Hα-helixtrans-61.6-44.3177.8-68.7166000110.9L151 I152 D153 I157 A158 M159L151-I155 HydrophobicContact CD1-CD1 4.38Å; L151-I155 HydrophobicContact CG-CD1 4.15Å; L151-I155 WeakPolarHBondContact O-CG1 3.5Å; L151-I155 PolarHBondContact O-N 3.32Å; I152-I155 PolarHBondContact O-N 3.18Å; D153-I155 VanDerWaalsContact C-N 3.32Å; D153-I155 PolarHBondContact O-N 3.5Å; I155-I157 PolarHBondContact O-N 3.18Å; I155-A158 PolarHBondContact O-N 2.85Å; I155-M159 HydrophobicContact CG2-CE 3.55Å; I155-M159 HydrophobicContact CG2-CG 4.49Å; I155-M159 HydrophobicContact CG2-SD 4.08Å; I155-M159 WeakPolarHBondContact O-CB 3.14Å; I155-M159 VanDerWaalsContact O-CG 3.31Å; I155-M159 WeakPolarHBondContact O-CG 3.44Å; I155-M159 PolarHBondContact O-N 3.21Å
156L93.4Very high91.1Very high53 Ų5358.2 Ų58.228%0.27734%0.339SS..Hα-helixtrans-64.2-39.7-179.7-72.8174.2000113.2I152 D153 F154 M161 V162I152-L156 HydrophobicContact CG2-CD1 3.88Å; I152-L156 HydrophobicContact CG2-CG 4.32Å; I152-L156 VanDerWaalsContact O-CG 3.3Å; I152-L156 WeakPolarHBondContact O-CG 3.3Å; I152-L156 PolarHBondContact O-N 3.12Å; D153-L156 PolarHBondContact O-N 3.19Å; F154-L156 PolarHBondContact O-N 3.06Å; L156-M161 PolarHBondContact O-N 3.28Å; L156-M161 VanDerWaalsContact O-N 3.12Å; L156-V162 HydrophobicContact CB-CG2 4.01Å; L156-V162 HydrophobicContact CD1-CG2 4.4Å; L156-V162 PolarHBondContact O-N 3.31Å
157I94.1Very high91.7Very high0 Ų055.3 Ų55.30%033%0.331CS..Hα-helixtrans-74.1-43.6176.5-66.5171.6000110.1Y110 A113 V114 D126 L130 D153 F154 I155 M159 Q160Y110-I157 WeakPolarHBondContact CE2-O 3.41Å; A113-I157 HydrophobicContact CB-CG2 4.08Å; V114-I157 HydrophobicContact CG2-CG2 3.92Å; D126-I157 HydrophobicContact CB-CD1 3.79Å; L130-I157 HydrophobicContact CD1-CD1 4.03Å; L130-I157 HydrophobicContact CD1-CG1 4.23Å; D153-I157 WeakPolarHBondContact O-CG1 3.46Å; D153-I157 PolarHBondContact O-N 2.81Å; F154-I157 PolarHBondContact O-N 3.13Å; I155-I157 PolarHBondContact O-N 3.18Å; I157-M159 VanDerWaalsContact C-N 3.3Å; I157-M159 PolarHBondContact O-N 3.49Å; I157-Q160 WeakPolarHBondContact O-CA 3.3Å; I157-Q160 PolarHBondContact O-N 3.45Å
158A93.4Very high92.3Very high28 Ų2854.3 Ų54.323%0.23132%0.319CS..Hα-helixtrans-58.2-43179.500000111.8Y110 F154 I155 Q160Y110-A158 PolarHBondContact OH-O 2.97Å; F154-A158 WeakPolarHBondContact O-CB 3.36Å; F154-A158 PolarHBondContact O-N 3.33Å; I155-A158 PolarHBondContact O-N 2.85Å; A158-Q160 PolarHBondContact O-N 3.44Å
159M92.9Very high92.5Very high89 Ų8950.7 Ų50.744%0.43830%0.304SS..THydrogen-bonded Turntrans-73.73175-64.5-172.8-53.800114I155 I157 M161 L179I155-M159 HydrophobicContact CG2-CE 3.55Å; I155-M159 HydrophobicContact CG2-CG 4.49Å; I155-M159 HydrophobicContact CG2-SD 4.08Å; I155-M159 WeakPolarHBondContact O-CB 3.14Å; I155-M159 VanDerWaalsContact O-CG 3.31Å; I155-M159 WeakPolarHBondContact O-CG 3.44Å; I155-M159 PolarHBondContact O-N 3.21Å; I157-M159 VanDerWaalsContact C-N 3.3Å; I157-M159 PolarHBondContact O-N 3.49Å; M159-M161 HydrophobicContact CB-CG 3.83Å; M159-M161 HydrophobicContact CE-CG 4.24Å; M159-M161 PolarHBondContact O-N 3.2Å; M159-L179 VanDerWaalsContact O-CD1 3.25Å; M159-L179 WeakPolarHBondContact O-CD1 3.21Å
160Q92.4Very high92.7Very high36 Ų3650.5 Ų50.517%0.16830%0.298CS..THydrogen-bonded Turntrans52.826.1-176.6-59.6175.23.400112.8Y110 I157 A158 A177 L179Y110-Q160 HydrophobicContact CD2-CG 4Å; Y110-Q160 HydrophobicContact CE2-CG 3.51Å; I157-Q160 WeakPolarHBondContact O-CA 3.3Å; I157-Q160 PolarHBondContact O-N 3.45Å; A158-Q160 PolarHBondContact O-N 3.44Å; Q160-A177 PolarHBondContact NE2-O 3.14Å; Q160-L179 HydrophobicContact CB-CB 4.35Å; Q160-L179 HydrophobicContact CB-CD1 4.49Å
161M91.3Very high93Very high124 Ų12450.1 Ų50.161%0.61129%0.294SS*.  trans-78.8-34-178.6-76.9-70.9-73.400111.3L156 M159L156-M161 PolarHBondContact O-N 3.28Å; L156-M161 VanDerWaalsContact O-N 3.12Å; M159-M161 HydrophobicContact CB-CG 3.83Å; M159-M161 HydrophobicContact CE-CG 4.24Å; M159-M161 PolarHBondContact O-N 3.2Å
162V92.3Very high93.2Very high32 Ų3245.8 Ų45.819%0.19427%0.272CS..SBendtrans-104.4117.2173.1-1760000109.3Y132 L156 Y170Y132-V162 HydrophobicContact CE2-CG1 4.08Å; L156-V162 HydrophobicContact CB-CG2 4.01Å; L156-V162 HydrophobicContact CD1-CG2 4.4Å; L156-V162 PolarHBondContact O-N 3.31Å; V162-Y170 VanDerWaalsContact O-CE2 3.24Å; V162-Y170 WeakPolarHBondContact O-CE2 3.43Å; V162-Y170 PolarHBondContact O-OH 3.23Å
163G92.3Very high93.2Very high27 Ų2744.7 Ų44.728%0.27827%0.267SS..  trans-91.9178.8172.300000113Y132Y132-G163 WeakPolarHBondContact CE2-O 3.05Å; Y132-G163 PolarHBondContact OH-O 3.32Å
164P94.5Very high93.2Very high4 Ų447.9 Ų47.93%0.02628%0.28CS..  trans-56.5150168.2-22.232.6000113.2Y108 L130 D166 G167 S168 Y170Y108-P164 HydrophobicContact CD2-CB 3.4Å; Y108-P164 VanDerWaalsContact CD2-CB 3.4Å; Y108-P164 HydrophobicContact CD2-CG 3.45Å; Y108-P164 VanDerWaalsContact CD2-CG 3.45Å; Y108-P164 HydrophobicContact CE2-CB 3.64Å; Y108-P164 HydrophobicContact CE2-CG 4.22Å; Y108-P164 HydrophobicContact CG-CB 4.02Å; Y108-P164 HydrophobicContact CG-CG 3.81Å; L130-P164 HydrophobicContact CD2-CG 4.34Å; P164-D166 PolarHBondContact O-N 2.82Å; P164-G167 PolarHBondContact O-N 3.25Å; P164-G167 VanDerWaalsContact O-N 3.12Å; P164-S168 WeakPolarHBondContact CD-O 3.42Å; P164-Y170 HydrophobicContact CG-CD1 4.27Å; P164-Y170 HydrophobicContact CG-CE1 4.06Å
165A94.3Very high93Very high45 Ų4555 Ų5537%0.37231%0.307SS..THydrogen-bonded Turntrans-61.6-25.3179.300000113.4L130 Y132 G167L130-A165 VanDerWaalsContact O-CB 3.31Å; L130-A165 WeakPolarHBondContact O-CB 3.31Å; L130-A165 PolarHBondContact O-N 3Å; Y132-A165 HydrophobicContact CD1-CB 4.29Å; Y132-A165 HydrophobicContact CE1-CB 3.92Å; Y132-A165 HydrophobicContact CE2-CB 4.27Å; A165-G167 PolarHBondContact O-N 2.95Å
166D92.8Very high92.8Very high109 Ų10952.9 Ų52.958%0.58330%0.304SS*.THydrogen-bonded Turntrans-71.4-5.7178.3-59-39.4000113.5Y108 P164 S168Y108-D166 WeakPolarHBondContact CE2-OD2 3.34Å; Y108-D166 PolarHBondContact OH-OD2 3.44Å; P164-D166 PolarHBondContact O-N 2.82Å; D166-S168 PolarHBondContact O-N 3.15Å
167G91.3Very high92.6Very high71 Ų7154.6 Ų54.673%0.73233%0.326SS*.SBendtrans76.7-2.6-178.300000114.7P164 A165P164-G167 PolarHBondContact O-N 3.25Å; P164-G167 VanDerWaalsContact O-N 3.12Å; A165-G167 PolarHBondContact O-N 2.95Å
168S92.8Very high92.3Very high14 Ų1458.5 Ų58.510%0.09834%0.341CS..PPolyproline II helixtrans-69.5164.4172.367.80000112.9T106 P164 D166T106-S168 VanDerWaalsContact CG2-CB 3.41Å; T106-S168 WeakPolarHBondContact CG2-OG 3.36Å; T106-S168 PolarHBondContact OG1-OG 3.11Å; P164-S168 WeakPolarHBondContact CD-O 3.42Å; D166-S168 PolarHBondContact O-N 3.15Å
169S92.9Very high92.2Very high35 Ų3561.9 Ų61.925%0.24536%0.355CS..EExtended strand (participates in β ladder)trans-87.9154.3174-67.70000112.1R103 N104 V105R103-S169 VanDerWaalsContact CD-OG 3.31Å; R103-S169 WeakPolarHBondContact CD-OG 3.12Å; N104-S169 PolarHBondContact O-N 2.92Å; V105-S169 WeakPolarHBondContact CA-O 2.81Å
170Y94.3Very high91.8Very high13 Ų1361.8 Ų61.85%0.05136%0.359CS..EExtended strand (participates in β ladder)trans-63.3143.6169.6-69.2-68.8000112.3Y110 A113 L130 V162 P164 V172Y110-Y170 HydrophobicContact CD2-CD2 4.41Å; Y110-Y170 HydrophobicContact CD2-CG 4.46Å; A113-Y170 HydrophobicContact CB-CE1 4.14Å; L130-Y170 VanDerWaalsContact CD1-OH 3.32Å; L130-Y170 WeakPolarHBondContact CD1-OH 3.43Å; L130-Y170 HydrophobicContact CD2-CE1 3.41Å; L130-Y170 VanDerWaalsContact CD2-CE1 3.41Å; L130-Y170 WeakPolarHBondContact CD2-OH 3.43Å; V162-Y170 VanDerWaalsContact O-CE2 3.24Å; V162-Y170 WeakPolarHBondContact O-CE2 3.43Å; V162-Y170 PolarHBondContact O-OH 3.23Å; P164-Y170 HydrophobicContact CG-CD1 4.27Å; P164-Y170 HydrophobicContact CG-CE1 4.06Å; Y170-V172 PolarHBondContact O-N 3.22Å
171I95.1Very high91.5Very high23 Ų2370.7 Ų70.712%0.11839%0.391CS..EExtended strand (participates in β ladder)trans-70.1116.5160.5-60.9164000107.4Q57 V105 T106 Y108 Y110Q57-I171 HydrophobicContact CB-CG2 4.24Å; Q57-I171 HydrophobicContact CG-CG2 4Å; V105-I171 HydrophobicContact CB-CG1 4Å; V105-I171 HydrophobicContact CG2-CG1 4.12Å; T106-I171 WeakPolarHBondContact O-CD1 3.5Å; T106-I171 VanDerWaalsContact O-CG1 3.31Å; T106-I171 WeakPolarHBondContact O-CG1 3.39Å; Y108-I171 PolarHBondContact O-N 3.22Å; Y110-I171 WeakPolarHBondContact CB-O 3.36Å; Y110-I171 PolarHBondContact N-O 3Å
172V94.3Very high91.3Very high11 Ų1172.2 Ų72.27%0.06740%0.401CS..  trans-128.5135.1177.4-178.40000106.4Q57 Y110 Y170 F174Q57-V172 WeakPolarHBondContact CB-O 3.47Å; Y110-V172 HydrophobicContact CG-CG2 4.24Å; Y170-V172 PolarHBondContact O-N 3.22Å; V172-F174 PolarHBondContact O-N 3.08Å
173D92.9Very high91.1Very high68 Ų6874.4 Ų74.436%0.36442%0.418SS..  trans-47.4137.6177.6-56.4-13.5000110.6K111 Y175 G176K111-D173 IonicContact NZ-OD1 3.7Å; K111-D173 IonicContact NZ-OD2 2.82Å; K111-D173 PolarHBondContact NZ-OD2 3.44Å; D173-Y175 VanDerWaalsContact C-N 3.26Å; D173-Y175 PolarHBondContact O-N 3.21Å; D173-G176 WeakPolarHBondContact O-CA 3.32Å; D173-G176 PolarHBondContact O-N 3.28Å
174F91.8Very high91.1Very high80 Ų8078.7 Ų78.735%0.35143%0.433SS..THydrogen-bonded Turntrans-58-37.3-172.9179-101.8000113.2I52 V172 G176I52-F174 HydrophobicContact CD1-CD2 3.5Å; I52-F174 VanDerWaalsContact CD1-CD2 3.5Å; I52-F174 HydrophobicContact CD1-CE1 4.45Å; I52-F174 HydrophobicContact CD1-CE2 3.36Å; I52-F174 HydrophobicContact CD1-CG 4.13Å; I52-F174 HydrophobicContact CD1-CZ 3.87Å; I52-F174 HydrophobicContact CG1-CD1 4.16Å; I52-F174 HydrophobicContact CG1-CD2 3.82Å; I52-F174 HydrophobicContact CG1-CE1 4.31Å; I52-F174 HydrophobicContact CG1-CE2 4Å; I52-F174 HydrophobicContact CG1-CG 3.91Å; I52-F174 HydrophobicContact CG1-CZ 4.23Å; I52-F174 HydrophobicContact CG2-CB 4.16Å; I52-F174 HydrophobicContact CG2-CD2 4.36Å; I52-F174 HydrophobicContact CG2-CG 4.36Å; V172-F174 PolarHBondContact O-N 3.08Å; F174-G176 VanDerWaalsContact C-N 3.33Å
175Y90.1Very high91Very high215 Ų21582 Ų8284%0.84345%0.454SS*.THydrogen-bonded Turntrans-9210.6174.1-59.9-72.5000113.6D173D173-Y175 VanDerWaalsContact C-N 3.26Å; D173-Y175 PolarHBondContact O-N 3.21Å
176G90.4Very high91Very high33 Ų3387.9 Ų87.934%0.3448%0.479SS..SBendtrans-81.9169-177.600000114D173 F174 R178D173-G176 WeakPolarHBondContact O-CA 3.32Å; D173-G176 PolarHBondContact O-N 3.28Å; F174-G176 VanDerWaalsContact C-N 3.33Å; G176-R178 PolarHBondContact O-N 3.43Å
177A87.4Confident90.7Very high90 Ų9091.1 Ų91.174%0.74449%0.491SS*.  trans-74.2116.6174.700000110.5Q160Q160-A177 PolarHBondContact NE2-O 3.14Å
178R89.3Confident90.6Very high82 Ų8290.7 Ų90.731%0.30947%0.474SS..  trans-118.8130.8179.8-160.3170.2-144.6179.93.1110.7E58 R103 G176E58-R178 IonicContact OE1-CZ 3.82Å; E58-R178 IonicContact OE1-NH1 3.94Å; E58-R178 PolarHBondContact OE1-NH1 3.48Å; E58-R178 IonicContact OE1-NH2 3.14Å; E58-R178 PolarHBondContact OE1-NH2 3.37Å; E58-R178 IonicContact OE2-NH1 2.7Å; R103-R178 VanDerWaalsContact CZ-NE 3.32Å; G176-R178 PolarHBondContact O-N 3.43Å
179L90.1Very high90.4Very high98 Ų9898.3 Ų98.351%0.51351%0.505SS..  trans-97.1127.9175.5-63.4170.2000108.9M159 Q160M159-L179 VanDerWaalsContact O-CD1 3.25Å; M159-L179 WeakPolarHBondContact O-CD1 3.21Å; Q160-L179 HydrophobicContact CB-CB 4.35Å; Q160-L179 HydrophobicContact CB-CD1 4.49Å
180T86Confident90.1Very high88 Ų88104.9 Ų104.954%0.5453%0.525SS..  trans-109.4125.8170.942.70000108.3L182T180-L182 PolarHBondContact O-N 3.03Å; T180-L182 VanDerWaalsContact O-N 3.07Å
181R84.4Confident89.7Confident222 Ų222112.9 Ų112.984%0.83856%0.56SS**  trans-73.4103.5172.5-174.7-177.4179.9-167.50.4108.7
182L88.3Confident89.3Confident156 Ų156117 Ų11782%0.81759%0.588SS**  trans-79.8121.2171.3-59.1-179.8000108.8T180T180-L182 PolarHBondContact O-N 3.03Å; T180-L182 VanDerWaalsContact O-N 3.07Å
183S88.9Confident88.7Confident79 Ų79125.5 Ų125.555%0.55263%0.627SS**  trans-107142.1172-172.70000109.3T185S183-T185 PolarHBondContact O-N 3.47Å
184I91.4Very high88.3Confident116 Ų116130.2 Ų130.260%0.59565%0.651SS**  trans-69.8122171.6-66.2140.2000107.7T188I184-T188 WeakPolarHBondContact CG2-OG1 3.43Å
185T92.4Very high87.6Confident75 Ų75131.1 Ų131.146%0.4667%0.673SS.*  trans-124173.5174.565.40000109.8S183 E187 T188S183-T185 PolarHBondContact O-N 3.47Å; T185-E187 PolarHBondContact O-N 3.32Å; T185-E187 VanDerWaalsContact O-N 3.15Å; T185-T188 PolarHBondContact N-OG1 3.49Å; T185-T188 PolarHBondContact O-N 2.93Å; T185-T188 PolarHBondContact O-OG1 3.37Å
186N93.3Very high86.7Confident168 Ų168132 Ų13290%0.89869%0.692SS**THydrogen-bonded Turntrans-61.1-22.4178.1-69.5-17.3000113.3T188N186-T188 VanDerWaalsContact C-N 3.35Å
187E86.8Confident86.6Confident177 Ų177137 Ų13783%0.82771%0.709SS**THydrogen-bonded Turntrans-87.2-3.5177.4-53.8-56.1148.600113T185 F189T185-E187 PolarHBondContact O-N 3.32Å; T185-E187 VanDerWaalsContact O-N 3.15Å; E187-F189 PolarHBondContact O-N 3.4Å
188T89.2Confident86.5Confident62 Ų62139.5 Ų139.538%0.3871%0.707SS.*  trans-86.5113.7-178.758.40000111.7I184 T185 N186I184-T188 WeakPolarHBondContact CG2-OG1 3.43Å; T185-T188 PolarHBondContact N-OG1 3.49Å; T185-T188 PolarHBondContact O-N 2.93Å; T185-T188 PolarHBondContact O-OG1 3.37Å; N186-T188 VanDerWaalsContact C-N 3.35Å
189F88.8Confident86.4Confident173 Ų173142.7 Ų142.776%0.75973%0.729SS**PPolyproline II helixtrans-83.9121.2172.2-175.2-98.5000110.9E187 K191E187-F189 PolarHBondContact O-N 3.4Å; F189-K191 HydrophobicContact CD1-CG 4.22Å; F189-K191 HydrophobicContact CE1-CG 4.01Å
190R86.4Confident86.1Confident173 Ų173145.3 Ų145.365%0.65374%0.742SS**PPolyproline II helixtrans-85.6116.2170.6-67.1-177-177-125.810.2108.9P192R190-P192 VanDerWaalsContact O-CD 3.25Å; R190-P192 WeakPolarHBondContact O-CD 3.4Å
191K86.4Confident86.2Confident181 Ų181148.9 Ų148.979%0.78776%0.755SS**PPolyproline II helixtrans-66.8117.6167.7-83.1-159174-171.10109F189F189-K191 HydrophobicContact CD1-CG 4.22Å; F189-K191 HydrophobicContact CE1-CG 4.01Å
192P86.4Confident86.3Confident110 Ų110144 Ų14471%0.71475%0.749SS**PPolyproline II helixtrans-65.3139.5171.627.3-31.9000109R190 L194R190-P192 VanDerWaalsContact O-CD 3.25Å; R190-P192 WeakPolarHBondContact O-CD 3.4Å; P192-L194 PolarHBondContact O-N 3.26Å
193H82.9Confident86.1Confident190 Ų190143.1 Ų143.188%0.8875%0.745SS**PPolyproline II helixtrans-65.7131.9167.3-85.2-91.3000108.4A195H193-A195 PolarHBondContact O-N 2.72Å; H193-A195 VanDerWaalsContact O-N 3.08Å
194L83.6Confident85.9Confident167 Ų167148.1 Ų148.187%0.87476%0.759SS**  trans-63.8111.6172.9-142.196.7000107.1P192 L196P192-L194 PolarHBondContact O-N 3.26Å; L194-L196 PolarHBondContact O-N 3.02Å
195A77.8Confident85.5Confident99 Ų99150.8 Ų150.882%0.81877%0.773SS**  trans-70.9116.1167.300000106.8H193H193-A195 PolarHBondContact O-N 2.72Å; H193-A195 VanDerWaalsContact O-N 3.08Å
196L71.8Confident84.8Confident234 Ų234157.6 Ų157.6100%1.22580%0.801SS**  trans-79.40178.3-128.9165.8000110L194L194-L196 PolarHBondContact O-N 3.02Å

Retrieved 196 of 196 residues in 535.9 ms (Link to these results)