A0A077ZKI0_TRITR Loading...

Attractin GBD domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZKI0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 218 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
1M31.4Very low35.5Very low243 Ų24394.5 Ų94.5100%1.19748%0.484SS*.  0103.80-72176.5176.100108.2G3M1-G3 VanDerWaalsContact C-N 3.32Å; M1-G3 PolarHBondContact O-N 2.66Å
2V34.2Very low36Very low147 Ų14789.5 Ų89.589%0.89147%0.467SS*.  trans-70.594.1177178.90000106.8R4V2-R4 VanDerWaalsContact C-N 3.34Å; V2-R4 PolarHBondContact O-N 3.17Å
3G32.7Very low36.6Very low66 Ų6685.3 Ų85.368%0.6844%0.443SS*.  trans-64.496.217900000108.7M1 K5M1-G3 VanDerWaalsContact C-N 3.32Å; M1-G3 PolarHBondContact O-N 2.66Å; G3-K5 PolarHBondContact O-N 2.95Å; G3-K5 VanDerWaalsContact O-N 3.12Å
4R28Very low37Very low192 Ų19283.6 Ų83.673%0.72546%0.457SS*.  trans-53.3119.5166.9-63.3-178.9-176.4-174.83.1106.1V2 W6V2-R4 VanDerWaalsContact C-N 3.34Å; V2-R4 PolarHBondContact O-N 3.17Å; R4-W6 VanDerWaalsContact CB-CE2 3.47Å; R4-W6 HydrophobicContact CB-CH2 4.16Å; R4-W6 HydrophobicContact CB-CZ2 3.27Å; R4-W6 VanDerWaalsContact CD-CZ2 3.45Å; R4-W6 HydrophobicContact CG-CZ2 3.98Å; R4-W6 PolarHBondContact O-NE1 2.89Å
5K36.2Very low37.7Very low105 Ų10587.8 Ų87.846%0.45748%0.479SS..  trans-96.8120.3-172.1-145174.5-177.1-174.90106.9G3 K57G3-K5 PolarHBondContact O-N 2.95Å; G3-K5 VanDerWaalsContact O-N 3.12Å; K5-K57 PolarHBondContact NZ-O 3.27Å
6W35.1Very low38.3Very low123 Ų12392.1 Ų92.147%0.46650%0.501SS..  trans-117.2117.3-170.7-47.692.8000109.4R4R4-W6 VanDerWaalsContact CB-CE2 3.47Å; R4-W6 HydrophobicContact CB-CH2 4.16Å; R4-W6 HydrophobicContact CB-CZ2 3.27Å; R4-W6 VanDerWaalsContact CD-CZ2 3.45Å; R4-W6 HydrophobicContact CG-CZ2 3.98Å; R4-W6 PolarHBondContact O-NE1 2.89Å
7I37.2Very low39.2Very low36 Ų3697.8 Ų97.819%0.18551%0.514CS..  trans-101.2111.4172.8-57.8172.6000107.2F9 C27 L53I7-F9 HydrophobicContact CB-CE2 4.14Å; I7-F9 HydrophobicContact CG2-CD2 3.72Å; I7-F9 HydrophobicContact CG2-CE2 3.34Å; I7-F9 HydrophobicContact CG2-CZ 4.01Å; I7-C27 HydrophobicContact CD1-CB 4.3Å; I7-L53 HydrophobicContact CG2-CD2 3.58Å
8S32.3Very low39.8Very low35 Ų3598.8 Ų98.825%0.24552%0.519CS..  trans-89.8117.1173.2-161.10000109
9F40.5Very low40.7Very low50 Ų50100.9 Ų100.922%0.21952%0.519CS..EExtended strand (participates in β ladder)trans-93.5112.8170.6-73.4-103.6000108.8I7 F21 L22 V51 L53I7-F9 HydrophobicContact CB-CE2 4.14Å; I7-F9 HydrophobicContact CG2-CD2 3.72Å; I7-F9 HydrophobicContact CG2-CE2 3.34Å; I7-F9 HydrophobicContact CG2-CZ 4.01Å; F9-F21 PolarHBondContact O-N 3.29Å; F9-L22 HydrophobicContact CB-CB 4.5Å; F9-L22 HydrophobicContact CB-CD1 4.37Å; F9-L22 HydrophobicContact CD2-CB 3.87Å; F9-L22 HydrophobicContact CD2-CD1 3.29Å; F9-L22 HydrophobicContact CD2-CG 4.14Å; F9-L22 HydrophobicContact CE2-CD1 3.53Å; F9-L22 HydrophobicContact CG-CD1 3.9Å; F9-L22 HydrophobicContact CZ-CD1 4.36Å; F9-V51 HydrophobicContact CD1-CG1 3.72Å; F9-V51 HydrophobicContact CE1-CG1 3.97Å; F9-L53 HydrophobicContact CD1-CD2 3.84Å; F9-L53 HydrophobicContact CD2-CD2 4.36Å; F9-L53 HydrophobicContact CE1-CD2 3.56Å; F9-L53 HydrophobicContact CE2-CD2 4.16Å; F9-L53 HydrophobicContact CG-CD2 4.25Å; F9-L53 HydrophobicContact CZ-CD2 3.75Å
10I40.2Very low41.5Very low35 Ų35104.7 Ų104.718%0.17953%0.526CS..EExtended strand (participates in β ladder)trans-104.3117.1172.7-62.7172000107L18 R20 F50 F52 Y54I10-L18 HydrophobicContact CG2-CD2 3.51Å; I10-R20 HydrophobicContact CG1-CG 4.28Å; I10-F50 VanDerWaalsContact O-O 3.08Å; I10-F52 HydrophobicContact CB-CB 4.33Å; I10-F52 HydrophobicContact CB-CD2 4.15Å; I10-F52 HydrophobicContact CG2-CD2 4.12Å; I10-F52 WeakPolarHBondContact O-CD2 3.4Å; I10-F52 PolarHBondContact O-N 3.05Å; I10-Y54 HydrophobicContact CD1-CE2 4.3Å
11G42.8Very low42.3Very low8 Ų8102.1 Ų102.18%0.08251%0.512CS..EExtended strand (participates in β ladder)trans-108.3127.7170.400000110.7F50G11-F50 WeakPolarHBondContact CA-O 3.41Å
12A41.6Very low43.4Very low34 Ų3491 Ų9128%0.28146%0.458SS..  trans-99.2119.1170.800000108.9L18 F50A12-L18 HydrophobicContact CB-CD2 3.83Å; A12-F50 HydrophobicContact CB-CB 4.47Å; A12-F50 HydrophobicContact CB-CD2 4.32Å
13F44.1Very low44.2Very low35 Ų3590.6 Ų90.615%0.15445%0.449CS..  trans-125.8148.5174.7-76.4-87.6000109.8N15 F39 F41 F49F13-N15 PolarHBondContact O-N 3.13Å; F13-F39 HydrophobicContact CB-CD1 4.27Å; F13-F39 HydrophobicContact CD2-CD1 4.46Å; F13-F39 HydrophobicContact CG-CD1 4.29Å; F13-F41 HydrophobicContact CE1-CE1 4.3Å; F13-F49 AromaticContact CE1-CD1 3.97Å; F13-F49 HydrophobicContact CE1-CD1 3.97Å; F13-F49 AromaticContact CE1-CE1 3.95Å; F13-F49 HydrophobicContact CE1-CE1 3.95Å; F13-F49 HydrophobicContact CE1-CG 4.28Å; F13-F49 HydrophobicContact CE1-CZ 4.34Å; F13-F49 HydrophobicContact CE2-CD1 4.31Å; F13-F49 HydrophobicContact CZ-CB 4.24Å; F13-F49 AromaticContact CZ-CD1 3.3Å; F13-F49 HydrophobicContact CZ-CD1 3.3Å; F13-F49 AromaticContact CZ-CE1 3.61Å; F13-F49 HydrophobicContact CZ-CE1 3.61Å; F13-F49 AromaticContact CZ-CG 3.82Å; F13-F49 HydrophobicContact CZ-CG 3.82Å; F13-F49 HydrophobicContact CZ-CZ 4.42Å
14G42.1Very low45Very low62 Ų6289 Ų8964%0.63943%0.432SS*.THydrogen-bonded Turntrans-31.2127.7-172.600000115.1
15N47.1Very low46.3Very low146 Ų14682.4 Ų82.478%0.78142%0.415SS*.THydrogen-bonded Turntrans6075.8-170.6-100.9-12000115.9F13 R17F13-N15 PolarHBondContact O-N 3.13Å; N15-R17 VanDerWaalsContact C-N 3.29Å; N15-R17 PolarHBondContact O-N 3.48Å
16N46.8Very low47.3Very low157 Ų15782.5 Ų82.584%0.8444%0.436SS*.THydrogen-bonded Turntrans55.67.5147.2-69.3-17.2000120.5L18N16-L18 PolarHBondContact O-N 3.41Å
17R53.2Low48.5Very low189 Ų18979.7 Ų79.771%0.71343%0.434SS*.  trans-9487.4168.6-68.1-159.5-159.7-159.510.1111.2N15 R19N15-R17 VanDerWaalsContact C-N 3.29Å; N15-R17 PolarHBondContact O-N 3.48Å; R17-R19 PolarHBondContact O-N 3.15Å
18L51.7Low49.8Very low115 Ų11587.5 Ų87.560%0.60247%0.469SS*.  trans-62104.2162.3-71.2161.2000108.7I10 A12 N16I10-L18 HydrophobicContact CG2-CD2 3.51Å; A12-L18 HydrophobicContact CB-CD2 3.83Å; N16-L18 PolarHBondContact O-N 3.41Å
19R56.2Low51.4Low139 Ų13994.6 Ų94.653%0.52550%0.499SS..EExtended strand (participates in β ladder)trans-98126.9172-75.4-158.4-178.1-132.37.4109.7R17 F21R17-R19 PolarHBondContact O-N 3.15Å; R19-F21 HydrophobicContact CB-CD2 4.34Å; R19-F21 HydrophobicContact CB-CE1 3.98Å; R19-F21 HydrophobicContact CB-CE2 3.62Å; R19-F21 HydrophobicContact CB-CZ 3.42Å; R19-F21 VanDerWaalsContact CB-CZ 3.42Å; R19-F21 HydrophobicContact CG-CZ 4.43Å; R19-F21 WeakPolarHBondContact O-CD2 3.36Å; R19-F21 WeakPolarHBondContact O-CE2 3.32Å
20R56Low52.9Low177 Ų17794.9 Ų94.967%0.66851%0.505SS*.EExtended strand (participates in β ladder)trans-85.5112172.9-68.7178.4-177.3167.80.9107.9I10I10-R20 HydrophobicContact CG1-CG 4.28Å
21F59.6Low54.5Low50 Ų5099.8 Ų99.822%0.21953%0.527CS..EExtended strand (participates in β ladder)trans-94.4-19.9-170-69.8-78.1000114.2F9 R19 R32 F34 F39F9-F21 PolarHBondContact O-N 3.29Å; R19-F21 HydrophobicContact CB-CD2 4.34Å; R19-F21 HydrophobicContact CB-CE1 3.98Å; R19-F21 HydrophobicContact CB-CE2 3.62Å; R19-F21 HydrophobicContact CB-CZ 3.42Å; R19-F21 VanDerWaalsContact CB-CZ 3.42Å; R19-F21 HydrophobicContact CG-CZ 4.43Å; R19-F21 WeakPolarHBondContact O-CD2 3.36Å; R19-F21 WeakPolarHBondContact O-CE2 3.32Å; F21-R32 PolarHBondContact O-NH1 3.29Å; F21-F34 HydrophobicContact CD1-CE1 4.2Å; F21-F34 HydrophobicContact CD2-CE1 4.43Å; F21-F34 HydrophobicContact CE1-CE1 4.01Å; F21-F34 HydrophobicContact CE2-CE1 4.25Å; F21-F34 HydrophobicContact CG-CE1 4.4Å; F21-F34 HydrophobicContact CZ-CE1 4.02Å; F21-F39 AromaticContact CE1-CZ 3.9Å; F21-F39 HydrophobicContact CE1-CZ 3.9Å; F21-F39 AromaticContact CZ-CE1 3.84Å; F21-F39 HydrophobicContact CZ-CE1 3.84Å; F21-F39 AromaticContact CZ-CZ 3.61Å; F21-F39 HydrophobicContact CZ-CZ 3.61Å
22L54.4Low55.9Low11 Ų11105.2 Ų105.26%0.05855%0.545CS..EExtended strand (participates in β ladder)trans-137.4114.9-178.3-69.7163.3000109F9 V30F9-L22 HydrophobicContact CB-CB 4.5Å; F9-L22 HydrophobicContact CB-CD1 4.37Å; F9-L22 HydrophobicContact CD2-CB 3.87Å; F9-L22 HydrophobicContact CD2-CD1 3.29Å; F9-L22 HydrophobicContact CD2-CG 4.14Å; F9-L22 HydrophobicContact CE2-CD1 3.53Å; F9-L22 HydrophobicContact CG-CD1 3.9Å; F9-L22 HydrophobicContact CZ-CD1 4.36Å; L22-V30 HydrophobicContact CD1-CB 4.36Å; L22-V30 HydrophobicContact CD1-CG1 3.59Å; L22-V30 HydrophobicContact CD2-CG1 3.85Å; L22-V30 HydrophobicContact CG-CG1 4.36Å
23I50.3Low57.5Low138 Ų138113.3 Ų113.371%0.70857%0.568SS**SBendtrans-121.999.8167.5-62.1169000104.7
24G50.2Low59Low32 Ų32115.1 Ų115.133%0.3358%0.576SS.*SBendtrans84.130.1160.100000120.4
25S53.9Low60.3Low53 Ų53114.6 Ų114.637%0.37156%0.562SS.*  trans-82.3135.7165.5500000111.7C27S25-C27 PolarHBondContact O-N 3.45Å
26A58.5Low61.3Low107 Ų107111.1 Ų111.188%0.88455%0.554SS**  trans-63117166.100000108.9
27C59.8Low62.3Low65 Ų65112.5 Ų112.544%0.43956%0.555SS.*  trans-97113.4-162.3-151.70000111.6I7 S25I7-C27 HydrophobicContact CD1-CB 4.3Å; S25-C27 PolarHBondContact O-N 3.45Å
28H64.6Low62.9Low199 Ų199110.5 Ų110.592%0.92155%0.554SS**SBendtrans-119.1-42.9162.3-104.8-74.2000111.1
29E66.3Low63.6Low184 Ų184106.1 Ų106.186%0.8653%0.53SS*.  trans-157.1126.4174.3-169.1170.4-171.800107.5
30V72.4Confident63.9Low57 Ų57106.8 Ų106.835%0.34554%0.543SS..  trans-125.9101.1-178.8-175.80000109.3L22 R32L22-V30 HydrophobicContact CD1-CB 4.36Å; L22-V30 HydrophobicContact CD1-CG1 3.59Å; L22-V30 HydrophobicContact CD2-CG1 3.85Å; L22-V30 HydrophobicContact CG-CG1 4.36Å; V30-R32 HydrophobicContact CG1-CG 4.29Å
31E73.9Confident64.5Low137 Ų137101.4 Ų101.464%0.6453%0.525SS*.  trans-89132.9171.8-169.5-170.715200109.8R33E31-R33 IonicContact OE1-CZ 3.35Å; E31-R33 IonicContact OE1-NE 3.19Å; E31-R33 PolarHBondContact OE1-NE 3.39Å; E31-R33 IonicContact OE1-NH2 2.77Å; E31-R33 PolarHBondContact OE1-NH2 3.46Å; E31-R33 IonicContact OE2-NH2 3.98Å
32R72.2Confident64.5Low122 Ų122101.2 Ų101.246%0.4654%0.537SS..  trans-134.8137.2171.8-69.6-63.6179.686.6-6.1110.5F21 V30 F34F21-R32 PolarHBondContact O-NH1 3.29Å; V30-R32 HydrophobicContact CG1-CG 4.29Å; R32-F34 HydrophobicContact CB-CE2 4Å; R32-F34 HydrophobicContact CB-CZ 3.96Å
33R75Confident64.8Low204 Ų204107.4 Ų107.477%0.7758%0.576SS**  trans-104.9138.3176-62.7-177.9-175.3137.37.8109.1E31E31-R33 IonicContact OE1-CZ 3.35Å; E31-R33 IonicContact OE1-NE 3.19Å; E31-R33 PolarHBondContact OE1-NE 3.39Å; E31-R33 IonicContact OE1-NH2 2.77Å; E31-R33 PolarHBondContact OE1-NH2 3.46Å; E31-R33 IonicContact OE2-NH2 3.98Å
34F74.4Confident65.2Low73 Ų73107 Ų10732%0.3258%0.575SS.*  trans-120.6119.2179.7-58.9-83.4000107.9F21 R32 F39 F41F21-F34 HydrophobicContact CD1-CE1 4.2Å; F21-F34 HydrophobicContact CD2-CE1 4.43Å; F21-F34 HydrophobicContact CE1-CE1 4.01Å; F21-F34 HydrophobicContact CE2-CE1 4.25Å; F21-F34 HydrophobicContact CG-CE1 4.4Å; F21-F34 HydrophobicContact CZ-CE1 4.02Å; R32-F34 HydrophobicContact CB-CE2 4Å; R32-F34 HydrophobicContact CB-CZ 3.96Å; F34-F39 HydrophobicContact CB-CD2 4.09Å; F34-F39 HydrophobicContact CB-CE2 4.32Å; F34-F39 HydrophobicContact CD1-CD2 4.28Å; F34-F39 AromaticContact CD1-CE2 3.8Å; F34-F39 HydrophobicContact CD1-CE2 3.8Å; F34-F39 HydrophobicContact CD1-CZ 4.15Å; F34-F41 HydrophobicContact CB-CZ 4.22Å
35S69.6Low65.9Low51 Ų51110 Ų11036%0.35760%0.597SS.*  trans-81.5145.4179.5-179.60000111.1E37 E38 F39S35-E37 PolarHBondContact O-N 2.85Å; S35-E37 PolarHBondContact OG-N 2.84Å; S35-E38 PolarHBondContact O-N 3.15Å; S35-F39 PolarHBondContact O-N 3.31Å
36A68.1Low66.6Low73 Ų73114.4 Ų114.460%0.60362%0.616SS**THydrogen-bonded Turntrans-68.2-19.617400000113.8F41A36-F41 HydrophobicContact CB-CD2 3.75Å; A36-F41 HydrophobicContact CB-CE2 4.09Å
37E68.1Low67.1Low186 Ų186112 Ų11287%0.86959%0.591SS**THydrogen-bonded Turntrans-74.6-33.1174.7-62.4177.9177.900111.8S35S35-E37 PolarHBondContact O-N 2.85Å; S35-E37 PolarHBondContact OG-N 2.84Å
38E66.6Low67.7Low147 Ų147113 Ų11369%0.68760%0.595SS**THydrogen-bonded Turntrans-85.6-28.8-178.1-66.5-175.2170.400112.6S35S35-E38 PolarHBondContact O-N 3.15Å
39F64.7Low68.1Low24 Ų24107 Ų10711%0.10557%0.566CS.*SBendtrans-127.5122.3-175.6-59.6-82.5000110F13 F21 F34 S35 F41F13-F39 HydrophobicContact CB-CD1 4.27Å; F13-F39 HydrophobicContact CD2-CD1 4.46Å; F13-F39 HydrophobicContact CG-CD1 4.29Å; F21-F39 AromaticContact CE1-CZ 3.9Å; F21-F39 HydrophobicContact CE1-CZ 3.9Å; F21-F39 AromaticContact CZ-CE1 3.84Å; F21-F39 HydrophobicContact CZ-CE1 3.84Å; F21-F39 AromaticContact CZ-CZ 3.61Å; F21-F39 HydrophobicContact CZ-CZ 3.61Å; F34-F39 HydrophobicContact CB-CD2 4.09Å; F34-F39 HydrophobicContact CB-CE2 4.32Å; F34-F39 HydrophobicContact CD1-CD2 4.28Å; F34-F39 AromaticContact CD1-CE2 3.8Å; F34-F39 HydrophobicContact CD1-CE2 3.8Å; F34-F39 HydrophobicContact CD1-CZ 4.15Å; S35-F39 PolarHBondContact O-N 3.31Å; F39-F41 VanDerWaalsContact C-N 3.26Å; F39-F41 HydrophobicContact CB-CE2 4.1Å; F39-F41 HydrophobicContact CB-CZ 4.05Å; F39-F41 VanDerWaalsContact O-CD2 3.26Å; F39-F41 WeakPolarHBondContact O-CD2 3.35Å; F39-F41 PolarHBondContact O-N 2.85Å
40L62.8Low68.4Low152 Ų152103.4 Ų103.480%0.79655%0.548SS*.  trans-68.285.6173.9-72.5155.4000109.4G42L40-G42 PolarHBondContact O-N 3.28Å
41F68.3Low68.6Low64 Ų64103.2 Ų103.228%0.28155%0.547SS..  trans-66.4107.1160.8-62.3-65000106.2F13 F34 A36 F39 T47 F49F13-F41 HydrophobicContact CE1-CE1 4.3Å; F34-F41 HydrophobicContact CB-CZ 4.22Å; A36-F41 HydrophobicContact CB-CD2 3.75Å; A36-F41 HydrophobicContact CB-CE2 4.09Å; F39-F41 VanDerWaalsContact C-N 3.26Å; F39-F41 HydrophobicContact CB-CE2 4.1Å; F39-F41 HydrophobicContact CB-CZ 4.05Å; F39-F41 VanDerWaalsContact O-CD2 3.26Å; F39-F41 WeakPolarHBondContact O-CD2 3.35Å; F39-F41 PolarHBondContact O-N 2.85Å; F41-T47 HydrophobicContact CB-CG2 3.75Å; F41-T47 HydrophobicContact CD1-CG2 3.92Å; F41-T47 HydrophobicContact CG-CG2 4.32Å; F41-F49 HydrophobicContact CE1-CE1 4.31Å; F41-F49 AromaticContact CE1-CZ 3.76Å; F41-F49 HydrophobicContact CE1-CZ 3.76Å
42G59.6Low68.6Low46 Ų46100.4 Ų100.447%0.47453%0.533SS..  trans-49.8144.9178.400000111L40 D44L40-G42 PolarHBondContact O-N 3.28Å; G42-D44 PolarHBondContact O-N 2.82Å
43T62.1Low68.7Low141 Ų14196.4 Ų96.487%0.86552%0.52SS*.SBendtrans-59.7-28.1172.334.50000112.1A45T43-A45 PolarHBondContact O-N 3.3Å
44D59.1Low68.8Low130 Ų13093 Ų9370%0.69551%0.508SS*.SBendtrans-72.2121.5175.7-52-22.7000107.3G42 N46G42-D44 PolarHBondContact O-N 2.82Å; D44-N46 PolarHBondContact O-N 2.87Å
45A63.6Low68.9Low96 Ų9695.8 Ų95.879%0.79353%0.527SS*.SBendtrans-49.2-9.7-165.500000117.5T43 T47T43-A45 PolarHBondContact O-N 3.3Å; A45-T47 PolarHBondContact O-N 3.33Å
46N68.8Low69Low145 Ų14598.5 Ų98.578%0.77553%0.532SS*.  trans-101.578.7-174.7-60.8-19.9000111.1D44D44-N46 PolarHBondContact O-N 2.87Å
47T70Confident69.4Low56 Ų56102.3 Ų102.334%0.34454%0.535SS..  trans-84127.1164.3580000109.3F41 A45F41-T47 HydrophobicContact CB-CG2 3.75Å; F41-T47 HydrophobicContact CD1-CG2 3.92Å; F41-T47 HydrophobicContact CG-CG2 4.32Å; A45-T47 PolarHBondContact O-N 3.33Å
48T70.7Confident69.8Low87 Ų8799.1 Ų99.153%0.53453%0.528SS..  trans-110.7127.6-176.548.40000110
49F73.3Confident70.5Confident72 Ų7298.6 Ų98.632%0.31654%0.538SS..  trans-96.7106.9175.2-66.8-104.8000108.1F13 F41 F66F13-F49 AromaticContact CE1-CD1 3.97Å; F13-F49 HydrophobicContact CE1-CD1 3.97Å; F13-F49 AromaticContact CE1-CE1 3.95Å; F13-F49 HydrophobicContact CE1-CE1 3.95Å; F13-F49 HydrophobicContact CE1-CG 4.28Å; F13-F49 HydrophobicContact CE1-CZ 4.34Å; F13-F49 HydrophobicContact CE2-CD1 4.31Å; F13-F49 HydrophobicContact CZ-CB 4.24Å; F13-F49 AromaticContact CZ-CD1 3.3Å; F13-F49 HydrophobicContact CZ-CD1 3.3Å; F13-F49 AromaticContact CZ-CE1 3.61Å; F13-F49 HydrophobicContact CZ-CE1 3.61Å; F13-F49 AromaticContact CZ-CG 3.82Å; F13-F49 HydrophobicContact CZ-CG 3.82Å; F13-F49 HydrophobicContact CZ-CZ 4.42Å; F41-F49 HydrophobicContact CE1-CE1 4.31Å; F41-F49 AromaticContact CE1-CZ 3.76Å; F41-F49 HydrophobicContact CE1-CZ 3.76Å; F49-F66 HydrophobicContact CB-CD1 4.26Å; F49-F66 HydrophobicContact CB-CE1 3.45Å; F49-F66 VanDerWaalsContact CB-CE1 3.45Å; F49-F66 HydrophobicContact CB-CZ 3.62Å; F49-F66 AromaticContact CD1-CD1 3.91Å; F49-F66 HydrophobicContact CD1-CD1 3.91Å; F49-F66 AromaticContact CD1-CE1 3.57Å; F49-F66 HydrophobicContact CD1-CE1 3.57Å; F49-F66 HydrophobicContact CD2-CD1 4.18Å; F49-F66 HydrophobicContact CD2-CE1 4.22Å; F49-F66 HydrophobicContact CE1-CD1 4.41Å; F49-F66 HydrophobicContact CE1-CE1 4.47Å; F49-F66 AromaticContact CG-CD1 3.86Å; F49-F66 HydrophobicContact CG-CD1 3.86Å; F49-F66 AromaticContact CG-CE1 3.49Å; F49-F66 HydrophobicContact CG-CE1 3.49Å; F49-F66 VanDerWaalsContact CG-CE1 3.49Å; F49-F66 HydrophobicContact CG-CZ 4.15Å
50F73.4Confident71.1Confident109 Ų109101.5 Ų101.548%0.47855%0.553SS.*  trans-83.4118169.2-67.7-78.6000109.2I10 G11 A12 F52I10-F50 VanDerWaalsContact O-O 3.08Å; G11-F50 WeakPolarHBondContact CA-O 3.41Å; A12-F50 HydrophobicContact CB-CB 4.47Å; A12-F50 HydrophobicContact CB-CD2 4.32Å; F50-F52 HydrophobicContact CB-CD2 4.48Å; F50-F52 HydrophobicContact CB-CE2 3.81Å; F50-F52 HydrophobicContact CB-CZ 4.28Å
51V76Confident71.8Confident53 Ų53102.2 Ų102.232%0.32156%0.555SS.*  trans-115.3108.6175-179.70000108.4F9 L53 I64 F66F9-V51 HydrophobicContact CD1-CG1 3.72Å; F9-V51 HydrophobicContact CE1-CG1 3.97Å; V51-L53 HydrophobicContact CG1-CD2 4.18Å; V51-L53 HydrophobicContact CG1-CG 4.22Å; V51-I64 HydrophobicContact CB-CD1 4.34Å; V51-I64 HydrophobicContact CG1-CD1 3.93Å; V51-F66 HydrophobicContact CG2-CE1 4.48Å; V51-F66 HydrophobicContact CG2-CZ 3.91Å
52F75.4Confident72.4Confident78 Ų78102.8 Ų102.834%0.34256%0.561SS.*BIsolated β-bridgetrans-97.1128.7173.7-59.7-81.5000110.5I10 F50 Y54I10-F52 HydrophobicContact CB-CB 4.33Å; I10-F52 HydrophobicContact CB-CD2 4.15Å; I10-F52 HydrophobicContact CG2-CD2 4.12Å; I10-F52 WeakPolarHBondContact O-CD2 3.4Å; I10-F52 PolarHBondContact O-N 3.05Å; F50-F52 HydrophobicContact CB-CD2 4.48Å; F50-F52 HydrophobicContact CB-CE2 3.81Å; F50-F52 HydrophobicContact CB-CZ 4.28Å; F52-Y54 HydrophobicContact CB-CD2 4.27Å; F52-Y54 HydrophobicContact CB-CE2 3.43Å; F52-Y54 VanDerWaalsContact CB-CE2 3.43Å; F52-Y54 VanDerWaalsContact CD1-OH 3.3Å; F52-Y54 WeakPolarHBondContact CD1-OH 3.46Å; F52-Y54 HydrophobicContact CG-CE2 4.26Å
53L74.1Confident73.5Confident38 Ų38109 Ų10920%0.19958%0.577CS.*  trans-121125.7175.8-59.2177.5000109.1I7 F9 V51 I62 I64I7-L53 HydrophobicContact CG2-CD2 3.58Å; F9-L53 HydrophobicContact CD1-CD2 3.84Å; F9-L53 HydrophobicContact CD2-CD2 4.36Å; F9-L53 HydrophobicContact CE1-CD2 3.56Å; F9-L53 HydrophobicContact CE2-CD2 4.16Å; F9-L53 HydrophobicContact CG-CD2 4.25Å; F9-L53 HydrophobicContact CZ-CD2 3.75Å; V51-L53 HydrophobicContact CG1-CD2 4.18Å; V51-L53 HydrophobicContact CG1-CG 4.22Å; L53-I62 HydrophobicContact CD1-CD1 3.9Å; L53-I62 HydrophobicContact CD1-CG2 3.6Å; L53-I64 HydrophobicContact CD1-CD1 4.26Å
54Y76.2Confident74.4Confident133 Ų133106.2 Ų106.252%0.52256%0.556SS.*  trans-127.7155.8-179.4-58-75.1000110.7I10 F52I10-Y54 HydrophobicContact CD1-CE2 4.3Å; F52-Y54 HydrophobicContact CB-CD2 4.27Å; F52-Y54 HydrophobicContact CB-CE2 3.43Å; F52-Y54 VanDerWaalsContact CB-CE2 3.43Å; F52-Y54 VanDerWaalsContact CD1-OH 3.3Å; F52-Y54 WeakPolarHBondContact CD1-OH 3.46Å; F52-Y54 HydrophobicContact CG-CE2 4.26Å
55D76.4Confident75.4Confident131 Ų131104.8 Ų104.870%0.70156%0.557SS**  trans60.343.8173.7-158.123.8000115.9
56F72.8Confident76.2Confident108 Ų108106 Ų10647%0.47454%0.544SS..PPolyproline II helixtrans-91.7135.4171.257.6-89.9000111.4M60F56-M60 HydrophobicContact CB-SD 4.48Å
57K75.1Confident76.7Confident152 Ų152104 Ų10466%0.66155%0.548SS*.PPolyproline II helixtrans-95.7126171.2-66.2-169174.6-174.30110.4K5K5-K57 PolarHBondContact NZ-O 3.27Å
58T77.7Confident77Confident120 Ų120110.1 Ų110.174%0.73657%0.572SS**SBendtrans-68.7146.5174.949.10000111.2
59P81.4Confident77.1Confident136 Ų136112 Ų11288%0.88358%0.584SS**SBendcis-87.6131.8-0.133.1-31.6000112.6
60M76.5Confident77.2Confident84 Ų84113.2 Ų113.241%0.41460%0.599SS.*  trans-145.8133.9173.9-179.2178.9-98.700109.2F56 I62F56-M60 HydrophobicContact CB-SD 4.48Å; M60-I62 HydrophobicContact CG-CG1 4.12Å; M60-I62 HydrophobicContact SD-CG1 4.3Å
61I77.8Confident77.4Confident167 Ų167112.9 Ų112.986%0.85661%0.61SS**  trans-98130.9172.7-61.3172.8000107.6
62I80.1Confident77.5Confident76 Ų76114.8 Ų114.839%0.3962%0.622SS.*  trans-121.6118.3-178.5-57.2168.5000107.2L53 M60 I64L53-I62 HydrophobicContact CD1-CD1 3.9Å; L53-I62 HydrophobicContact CD1-CG2 3.6Å; M60-I62 HydrophobicContact CG-CG1 4.12Å; M60-I62 HydrophobicContact SD-CG1 4.3Å; I62-I64 HydrophobicContact CG2-CD1 4.44Å; I62-I64 HydrophobicContact CG2-CG1 4.16Å
63Q82.2Confident77.9Confident177 Ų177114.8 Ų114.883%0.82763%0.626SS**  trans-113122.3176.2-177.3175.6-13.900108.7
64I81.3Confident78.7Confident83 Ų83120.9 Ų120.943%0.42665%0.646SS.*  trans-115.7116.1177-55.2165.5000106.6V51 L53 I62 F66V51-I64 HydrophobicContact CB-CD1 4.34Å; V51-I64 HydrophobicContact CG1-CD1 3.93Å; L53-I64 HydrophobicContact CD1-CD1 4.26Å; I62-I64 HydrophobicContact CG2-CD1 4.44Å; I62-I64 HydrophobicContact CG2-CG1 4.16Å; I64-F66 HydrophobicContact CG2-CD2 4.36Å; I64-F66 HydrophobicContact CG2-CE1 4.41Å; I64-F66 HydrophobicContact CG2-CE2 3.62Å; I64-F66 HydrophobicContact CG2-CZ 3.65Å
65S81.1Confident79.4Confident100 Ų100121.2 Ų121.270%0.69965%0.654SS**  trans-114.8132.117554.60000109.9
66F79.6Confident80Confident121 Ų121121.3 Ų121.353%0.53165%0.648SS.*  trans-104.3129.6170.4-60.1-84.1000108.4F49 V51 I64F49-F66 HydrophobicContact CB-CD1 4.26Å; F49-F66 HydrophobicContact CB-CE1 3.45Å; F49-F66 VanDerWaalsContact CB-CE1 3.45Å; F49-F66 HydrophobicContact CB-CZ 3.62Å; F49-F66 AromaticContact CD1-CD1 3.91Å; F49-F66 HydrophobicContact CD1-CD1 3.91Å; F49-F66 AromaticContact CD1-CE1 3.57Å; F49-F66 HydrophobicContact CD1-CE1 3.57Å; F49-F66 HydrophobicContact CD2-CD1 4.18Å; F49-F66 HydrophobicContact CD2-CE1 4.22Å; F49-F66 HydrophobicContact CE1-CD1 4.41Å; F49-F66 HydrophobicContact CE1-CE1 4.47Å; F49-F66 AromaticContact CG-CD1 3.86Å; F49-F66 HydrophobicContact CG-CD1 3.86Å; F49-F66 AromaticContact CG-CE1 3.49Å; F49-F66 HydrophobicContact CG-CE1 3.49Å; F49-F66 VanDerWaalsContact CG-CE1 3.49Å; F49-F66 HydrophobicContact CG-CZ 4.15Å; V51-F66 HydrophobicContact CG2-CE1 4.48Å; V51-F66 HydrophobicContact CG2-CZ 3.91Å; I64-F66 HydrophobicContact CG2-CD2 4.36Å; I64-F66 HydrophobicContact CG2-CE1 4.41Å; I64-F66 HydrophobicContact CG2-CE2 3.62Å; I64-F66 HydrophobicContact CG2-CZ 3.65Å
67A78.6Confident80.9Confident103 Ų103122.2 Ų122.285%0.85165%0.652SS**  trans-128.5131.7174.400000108.7
68Q77.2Confident81.8Confident184 Ų184120.7 Ų120.786%0.8665%0.646SS**PPolyproline II helixtrans-102.2119.7170.2-174.817518.300107.7P70Q68-P70 WeakPolarHBondContact O-CD 3.3Å
69T73.4Confident82.7Confident126 Ų126120.1 Ų120.177%0.77364%0.637SS**PPolyproline II helixtrans-63.4120.4166.3-52.20000106.9
70P74.6Confident83.3Confident99 Ų99118.3 Ų118.364%0.64362%0.624SS**PPolyproline II helixtrans-58.3149.3175.826.2-33.7000108.8Q68 V72Q68-P70 WeakPolarHBondContact O-CD 3.3Å; P70-V72 PolarHBondContact O-N 2.87Å
71S76.9Confident84.2Confident101 Ų101121 Ų12171%0.70663%0.634SS**PPolyproline II helixtrans-52.9143.4168.243.20000109.2D73S71-D73 PolarHBondContact O-N 2.86Å
72V80.1Confident85.1Confident94 Ų94114.8 Ų114.857%0.5761%0.607SS**  trans-57.2114.2176.5177.70000107.7P70 W74P70-V72 PolarHBondContact O-N 2.87Å; V72-W74 HydrophobicContact CB-CZ2 4.39Å; V72-W74 HydrophobicContact CG1-CD2 4.05Å; V72-W74 HydrophobicContact CG1-CE3 4.33Å; V72-W74 HydrophobicContact CG1-CG 4.47Å; V72-W74 HydrophobicContact CG1-CZ2 4.31Å; V72-W74 PolarHBondContact O-N 2.82Å
73D83.8Confident85.9Confident78 Ų78116.2 Ų116.242%0.41762%0.615SS.*  trans-71.380.8174-76.3-36.4000109.1S71 M75 K76 F77S71-D73 PolarHBondContact O-N 2.86Å; D73-M75 PolarHBondContact O-N 3.27Å; D73-M75 VanDerWaalsContact O-N 3.09Å; D73-K76 HydrophobicContact CB-CB 4.04Å; D73-K76 HydrophobicContact CB-CD 4Å; D73-K76 HydrophobicContact CB-CG 3.88Å; D73-K76 PolarHBondContact O-N 2.99Å; D73-K76 IonicContact OD2-NZ 2.56Å; D73-K76 PolarHBondContact OD2-NZ 3.19Å; D73-F77 PolarHBondContact O-N 2.91Å
74W90Very high86.6Confident165 Ų165111 Ų11163%0.62560%0.597SS**Hα-helixtrans-52-35.4179.3-64.9102.8000111.8V72 K76 F77 F78V72-W74 HydrophobicContact CB-CZ2 4.39Å; V72-W74 HydrophobicContact CG1-CD2 4.05Å; V72-W74 HydrophobicContact CG1-CE3 4.33Å; V72-W74 HydrophobicContact CG1-CG 4.47Å; V72-W74 HydrophobicContact CG1-CZ2 4.31Å; V72-W74 PolarHBondContact O-N 2.82Å; W74-K76 PolarHBondContact O-N 2.77Å; W74-F77 WeakPolarHBondContact O-CB 3.5Å; W74-F77 PolarHBondContact O-N 2.91Å; W74-F78 HydrophobicContact CB-CD2 4.37Å; W74-F78 HydrophobicContact CB-CE2 4.1Å; W74-F78 WeakPolarHBondContact O-CD2 3.44Å; W74-F78 PolarHBondContact O-N 3.23Å
75M91.7Very high87.3Confident140 Ų140112.7 Ų112.769%0.6960%0.602SS**Hα-helixtrans-59-43.6175.1-65-60.4-76.500112.7D73 F77 F78 I79D73-M75 PolarHBondContact O-N 3.27Å; D73-M75 VanDerWaalsContact O-N 3.09Å; M75-F77 VanDerWaalsContact C-N 3.33Å; M75-F77 PolarHBondContact O-N 3.24Å; M75-F78 PolarHBondContact O-N 2.87Å; M75-I79 WeakPolarHBondContact O-CD1 3.43Å; M75-I79 VanDerWaalsContact O-CG1 3.22Å; M75-I79 WeakPolarHBondContact O-CG1 3.5Å; M75-I79 PolarHBondContact O-N 2.85Å
76K88.6Confident88.1Confident134 Ų134113.6 Ų113.658%0.58359%0.593SS**Hα-helixtrans-66.2-37.8178.6-69.6-171.3177.3106.40111.5D73 W74 T80D73-K76 HydrophobicContact CB-CB 4.04Å; D73-K76 HydrophobicContact CB-CD 4Å; D73-K76 HydrophobicContact CB-CG 3.88Å; D73-K76 PolarHBondContact O-N 2.99Å; D73-K76 IonicContact OD2-NZ 2.56Å; D73-K76 PolarHBondContact OD2-NZ 3.19Å; W74-K76 PolarHBondContact O-N 2.77Å; K76-T80 PolarHBondContact O-N 2.78Å; K76-T80 PolarHBondContact O-OG1 2.68Å
77F90.9Very high88.9Confident127 Ų127112.4 Ų112.456%0.55759%0.591SS**Hα-helixtrans-62-49173.9177.1-99.1000111.6D73 W74 M75 T80 F81D73-F77 PolarHBondContact O-N 2.91Å; W74-F77 WeakPolarHBondContact O-CB 3.5Å; W74-F77 PolarHBondContact O-N 2.91Å; M75-F77 VanDerWaalsContact C-N 3.33Å; M75-F77 PolarHBondContact O-N 3.24Å; F77-T80 PolarHBondContact O-N 2.88Å; F77-F81 PolarHBondContact O-N 2.78Å; F77-F81 VanDerWaalsContact O-N 3.11Å
78F95.3Very high89.8Confident119 Ų119112.7 Ų112.752%0.52258%0.578SS.*Hα-helixtrans-65-41.4179.7-72.4-58.8000113.5W74 M75 T80 F81 A82W74-F78 HydrophobicContact CB-CD2 4.37Å; W74-F78 HydrophobicContact CB-CE2 4.1Å; W74-F78 WeakPolarHBondContact O-CD2 3.44Å; W74-F78 PolarHBondContact O-N 3.23Å; M75-F78 PolarHBondContact O-N 2.87Å; F78-T80 VanDerWaalsContact C-N 3.33Å; F78-T80 PolarHBondContact O-N 2.8Å; F78-F81 PolarHBondContact O-N 2.95Å; F78-A82 VanDerWaalsContact O-CB 3.31Å; F78-A82 WeakPolarHBondContact O-CB 3.4Å; F78-A82 PolarHBondContact O-N 3.49Å
79I95.5Very high90.7Very high108 Ų108108.6 Ų108.655%0.55456%0.561SS**Hα-helixtrans-61.5-44.3178.6-69.2163.4000110.6M75 A82 L83M75-I79 WeakPolarHBondContact O-CD1 3.43Å; M75-I79 VanDerWaalsContact O-CG1 3.22Å; M75-I79 WeakPolarHBondContact O-CG1 3.5Å; M75-I79 PolarHBondContact O-N 2.85Å; I79-A82 PolarHBondContact O-N 2.86Å; I79-L83 VanDerWaalsContact O-CB 3.28Å; I79-L83 WeakPolarHBondContact O-CB 3.44Å; I79-L83 PolarHBondContact O-N 3.24Å
80T94.9Very high91.9Very high99 Ų99107.2 Ų107.261%0.60755%0.553SS**Hα-helixtrans-63-44.5179.4-54.10000111K76 F77 F78 C84K76-T80 PolarHBondContact O-N 2.78Å; K76-T80 PolarHBondContact O-OG1 2.68Å; F77-T80 PolarHBondContact O-N 2.88Å; F78-T80 VanDerWaalsContact C-N 3.33Å; F78-T80 PolarHBondContact O-N 2.8Å; T80-C84 WeakPolarHBondContact O-CB 3.4Å; T80-C84 PolarHBondContact O-N 2.88Å; T80-C84 VanDerWaalsContact O-N 3.08Å
81F95.4Very high93Very high141 Ų141106.1 Ų106.162%0.61854%0.544SS*.Hα-helixtrans-63.7-47.2177.1-179.4-101000112.2F77 F78 L83 C84 F85F77-F81 PolarHBondContact O-N 2.78Å; F77-F81 VanDerWaalsContact O-N 3.11Å; F78-F81 PolarHBondContact O-N 2.95Å; F81-L83 PolarHBondContact O-N 3.35Å; F81-C84 WeakPolarHBondContact O-CB 3.37Å; F81-C84 PolarHBondContact O-N 3.41Å; F81-F85 PolarHBondContact O-N 3.27Å
82A96.1Very high94Very high36 Ų36104 Ų10430%0.29853%0.533SS..Hα-helixtrans-62.6-44179.100000111.7F78 I79 C84 F85 F86F78-A82 VanDerWaalsContact O-CB 3.31Å; F78-A82 WeakPolarHBondContact O-CB 3.4Å; F78-A82 PolarHBondContact O-N 3.49Å; I79-A82 PolarHBondContact O-N 2.86Å; A82-C84 VanDerWaalsContact C-N 3.32Å; A82-C84 PolarHBondContact O-N 2.9Å; A82-F85 WeakPolarHBondContact O-CB 3.24Å; A82-F85 PolarHBondContact O-N 3.49Å; A82-F86 HydrophobicContact CB-CE2 4.31Å; A82-F86 WeakPolarHBondContact O-CD2 3.38Å; A82-F86 PolarHBondContact O-N 2.88Å
83L96.8Very high94.8Very high105 Ų105106 Ų10655%0.5553%0.534SS..Hα-helixtrans-59.3-44.3176.5-178.664.4000111.4I79 F81 F85 F86 I87I79-L83 VanDerWaalsContact O-CB 3.28Å; I79-L83 WeakPolarHBondContact O-CB 3.44Å; I79-L83 PolarHBondContact O-N 3.24Å; F81-L83 PolarHBondContact O-N 3.35Å; L83-F85 PolarHBondContact O-N 3Å; L83-F86 PolarHBondContact O-N 2.91Å; L83-I87 HydrophobicContact CG-CD1 4.19Å; L83-I87 VanDerWaalsContact O-CG1 3.31Å; L83-I87 WeakPolarHBondContact O-CG1 3.44Å; L83-I87 PolarHBondContact O-N 3.42Å
84C97.1Very high95.5Very high69 Ų69104.2 Ų104.247%0.46653%0.53SS..Hα-helixtrans-60.6-44.7176-173.10000111.6T80 F81 A82 F86 I87 L88T80-C84 WeakPolarHBondContact O-CB 3.4Å; T80-C84 PolarHBondContact O-N 2.88Å; T80-C84 VanDerWaalsContact O-N 3.08Å; F81-C84 WeakPolarHBondContact O-CB 3.37Å; F81-C84 PolarHBondContact O-N 3.41Å; A82-C84 VanDerWaalsContact C-N 3.32Å; A82-C84 PolarHBondContact O-N 2.9Å; C84-F86 PolarHBondContact O-N 2.83Å; C84-I87 PolarHBondContact O-N 2.9Å; C84-L88 WeakPolarHBondContact O-CG 3.21Å; C84-L88 PolarHBondContact O-N 2.86Å
85F96.8Very high95.9Very high117 Ų117101.5 Ų101.551%0.51353%0.528SS..Hα-helixtrans-60.9-43.3176-178.6-98.8000112.5F81 A82 L83 I87 L88 L89F81-F85 PolarHBondContact O-N 3.27Å; A82-F85 WeakPolarHBondContact O-CB 3.24Å; A82-F85 PolarHBondContact O-N 3.49Å; L83-F85 PolarHBondContact O-N 3Å; F85-I87 PolarHBondContact O-N 2.83Å; F85-L88 PolarHBondContact O-N 3.49Å; F85-L89 WeakPolarHBondContact O-CB 3.4Å; F85-L89 PolarHBondContact O-N 3.05Å
86F96.7Very high96.1Very high120 Ų120103.3 Ų103.353%0.52653%0.527SS..Hα-helixtrans-63.6-39.6175.7-73-60.2000112.5A82 L83 C84 L88 L89 V90A82-F86 HydrophobicContact CB-CE2 4.31Å; A82-F86 WeakPolarHBondContact O-CD2 3.38Å; A82-F86 PolarHBondContact O-N 2.88Å; L83-F86 PolarHBondContact O-N 2.91Å; C84-F86 PolarHBondContact O-N 2.83Å; F86-L88 VanDerWaalsContact C-N 3.34Å; F86-L88 PolarHBondContact O-N 2.94Å; F86-L89 PolarHBondContact O-N 2.8Å; F86-V90 VanDerWaalsContact O-CG2 3.3Å; F86-V90 WeakPolarHBondContact O-CG2 3.47Å; F86-V90 PolarHBondContact O-N 3.07Å
87I97.1Very high96.5Very high95 Ų95100.7 Ų100.749%0.48752%0.515SS..Hα-helixtrans-59.8-46.5174.3-69.4166.7000110.2L83 C84 F85 L89 V90 V91L83-I87 HydrophobicContact CG-CD1 4.19Å; L83-I87 VanDerWaalsContact O-CG1 3.31Å; L83-I87 WeakPolarHBondContact O-CG1 3.44Å; L83-I87 PolarHBondContact O-N 3.42Å; C84-I87 PolarHBondContact O-N 2.9Å; F85-I87 PolarHBondContact O-N 2.83Å; I87-L89 VanDerWaalsContact C-N 3.34Å; I87-L89 PolarHBondContact O-N 2.96Å; I87-V90 PolarHBondContact O-N 3.03Å; I87-V91 WeakPolarHBondContact O-CG2 3.39Å; I87-V91 PolarHBondContact O-N 2.99Å
88L96.4Very high96.8Very high110 Ų110100 Ų10058%0.57652%0.516SS*.Hα-helixtrans-61.9-40.6176.8-68.2175.7000112.2C84 F85 F86 V91 A92C84-L88 WeakPolarHBondContact O-CG 3.21Å; C84-L88 PolarHBondContact O-N 2.86Å; F85-L88 PolarHBondContact O-N 3.49Å; F86-L88 VanDerWaalsContact C-N 3.34Å; F86-L88 PolarHBondContact O-N 2.94Å; L88-V91 PolarHBondContact O-N 3.13Å; L88-A92 WeakPolarHBondContact O-CB 3.28Å; L88-A92 PolarHBondContact O-N 2.73Å
89L97.1Very high96.9Very high97 Ų97101.1 Ų101.151%0.50852%0.521SS..Hα-helixtrans-63.4-42.1176.4-169.769.3000111.7F85 F86 I87 A92 F93F85-L89 WeakPolarHBondContact O-CB 3.4Å; F85-L89 PolarHBondContact O-N 3.05Å; F86-L89 PolarHBondContact O-N 2.8Å; I87-L89 VanDerWaalsContact C-N 3.34Å; I87-L89 PolarHBondContact O-N 2.96Å; L89-A92 PolarHBondContact O-N 2.98Å; L89-F93 WeakPolarHBondContact O-CB 3.29Å; L89-F93 PolarHBondContact O-N 2.88Å
90V97.9Very high97Very high98 Ų98100 Ų10059%0.59451%0.513SS*.Hα-helixtrans-63.4-43.6175.7170.20000110.8F86 I87 F93 A94F86-V90 VanDerWaalsContact O-CG2 3.3Å; F86-V90 WeakPolarHBondContact O-CG2 3.47Å; F86-V90 PolarHBondContact O-N 3.07Å; I87-V90 PolarHBondContact O-N 3.03Å; V90-F93 PolarHBondContact O-N 3.45Å; V90-A94 VanDerWaalsContact O-CB 3.27Å; V90-A94 WeakPolarHBondContact O-CB 3.46Å; V90-A94 PolarHBondContact O-N 3.39Å
91V98.2Very high97Very high75 Ų75103.8 Ų103.846%0.45552%0.517SS..Hα-helixtrans-62.2-46.1175.9171.80000110.9I87 L88 F93 A94 L95I87-V91 WeakPolarHBondContact O-CG2 3.39Å; I87-V91 PolarHBondContact O-N 2.99Å; L88-V91 PolarHBondContact O-N 3.13Å; V91-F93 VanDerWaalsContact C-N 3.35Å; V91-F93 PolarHBondContact O-N 3.4Å; V91-A94 PolarHBondContact O-N 2.73Å; V91-L95 HydrophobicContact CG1-CD1 3.97Å; V91-L95 HydrophobicContact CG1-CG 4.33Å; V91-L95 WeakPolarHBondContact O-CB 3.42Å; V91-L95 VanDerWaalsContact O-CG 3.28Å; V91-L95 WeakPolarHBondContact O-CG 3.37Å; V91-L95 PolarHBondContact O-N 3.39Å
92A97.9Very high97.1Very high57 Ų57103.1 Ų103.147%0.47151%0.513SS..Hα-helixtrans-60.8-44.1177.300000111.8L88 L89 L95 W96L88-A92 WeakPolarHBondContact O-CB 3.28Å; L88-A92 PolarHBondContact O-N 2.73Å; L89-A92 PolarHBondContact O-N 2.98Å; A92-L95 PolarHBondContact O-N 3.01Å; A92-W96 WeakPolarHBondContact O-CB 3.19Å; A92-W96 PolarHBondContact O-N 3.36Å
93F97.8Very high97.1Very high135 Ų135104.6 Ų104.659%0.59252%0.516SS*.Hα-helixtrans-64.7-42.3175.4-177-103000112L89 V90 V91 W96 K97L89-F93 WeakPolarHBondContact O-CB 3.29Å; L89-F93 PolarHBondContact O-N 2.88Å; V90-F93 PolarHBondContact O-N 3.45Å; V91-F93 VanDerWaalsContact C-N 3.35Å; V91-F93 PolarHBondContact O-N 3.4Å; F93-W96 WeakPolarHBondContact O-CB 3.41Å; F93-W96 PolarHBondContact O-N 3.06Å; F93-K97 HydrophobicContact CD1-CG 4.02Å; F93-K97 HydrophobicContact CE1-CD 4.18Å; F93-K97 HydrophobicContact CE1-CG 3.64Å; F93-K97 HydrophobicContact CE2-CD 4.18Å; F93-K97 HydrophobicContact CE2-CG 4.22Å; F93-K97 HydrophobicContact CG-CG 4.48Å; F93-K97 HydrophobicContact CZ-CD 3.78Å; F93-K97 HydrophobicContact CZ-CG 3.76Å; F93-K97 WeakPolarHBondContact O-CG 3.22Å; F93-K97 PolarHBondContact O-N 3.5Å
94A97.9Very high97Very high42 Ų42103.2 Ų103.235%0.34751%0.509SS..Hα-helixtrans-61.5-47.2176.200000111.1V90 V91 W96 K97 I98V90-A94 VanDerWaalsContact O-CB 3.27Å; V90-A94 WeakPolarHBondContact O-CB 3.46Å; V90-A94 PolarHBondContact O-N 3.39Å; V91-A94 PolarHBondContact O-N 2.73Å; A94-W96 VanDerWaalsContact C-N 3.31Å; A94-W96 PolarHBondContact O-N 3.25Å; A94-K97 PolarHBondContact O-N 2.9Å; A94-I98 WeakPolarHBondContact O-CB 3.34Å; A94-I98 WeakPolarHBondContact O-CD1 3.32Å; A94-I98 WeakPolarHBondContact O-CG1 3.48Å; A94-I98 PolarHBondContact O-N 3.48Å
95L97.2Very high97Very high108 Ų108106.3 Ų106.357%0.56551%0.512SS*.Hα-helixtrans-59.8-40.9174.6-70.8174.1000111.6V91 A92 I98 K99V91-L95 HydrophobicContact CG1-CD1 3.97Å; V91-L95 HydrophobicContact CG1-CG 4.33Å; V91-L95 WeakPolarHBondContact O-CB 3.42Å; V91-L95 VanDerWaalsContact O-CG 3.28Å; V91-L95 WeakPolarHBondContact O-CG 3.37Å; V91-L95 PolarHBondContact O-N 3.39Å; A92-L95 PolarHBondContact O-N 3.01Å; L95-I98 PolarHBondContact O-N 2.89Å; L95-K99 WeakPolarHBondContact O-CB 3.35Å; L95-K99 PolarHBondContact O-N 3.22Å
96W97.1Very high97Very high178 Ų178106.6 Ų106.667%0.67451%0.51SS*.Hα-helixtrans-60.4-48.9173.3-177.7-73.3000111.6A92 F93 A94 I98 K99 Q100A92-W96 WeakPolarHBondContact O-CB 3.19Å; A92-W96 PolarHBondContact O-N 3.36Å; F93-W96 WeakPolarHBondContact O-CB 3.41Å; F93-W96 PolarHBondContact O-N 3.06Å; A94-W96 VanDerWaalsContact C-N 3.31Å; A94-W96 PolarHBondContact O-N 3.25Å; W96-I98 PolarHBondContact O-N 2.84Å; W96-K99 PolarHBondContact O-N 3.32Å; W96-Q100 WeakPolarHBondContact O-CB 3.46Å; W96-Q100 PolarHBondContact O-N 3.38Å
97K97.1Very high97Very high78 Ų78108 Ų10834%0.33951%0.512SS..Hα-helixtrans-64-41.5179.5-69.7-57.9-61.41770111.6F93 A94 Q100 R101F93-K97 HydrophobicContact CD1-CG 4.02Å; F93-K97 HydrophobicContact CE1-CD 4.18Å; F93-K97 HydrophobicContact CE1-CG 3.64Å; F93-K97 HydrophobicContact CE2-CD 4.18Å; F93-K97 HydrophobicContact CE2-CG 4.22Å; F93-K97 HydrophobicContact CG-CG 4.48Å; F93-K97 HydrophobicContact CZ-CD 3.78Å; F93-K97 HydrophobicContact CZ-CG 3.76Å; F93-K97 WeakPolarHBondContact O-CG 3.22Å; F93-K97 PolarHBondContact O-N 3.5Å; A94-K97 PolarHBondContact O-N 2.9Å; K97-Q100 PolarHBondContact O-N 3.48Å; K97-R101 WeakPolarHBondContact O-CB 3.43Å; K97-R101 VanDerWaalsContact O-CG 3.27Å; K97-R101 WeakPolarHBondContact O-CG 3.44Å; K97-R101 PolarHBondContact O-N 2.75Å
98I97.3Very high96.9Very high112 Ų112112.2 Ų112.257%0.57452%0.521SS*.Hα-helixtrans-62.4-48175.2-68.7163.3000109.8A94 L95 W96 Q100 R101 F102A94-I98 WeakPolarHBondContact O-CB 3.34Å; A94-I98 WeakPolarHBondContact O-CD1 3.32Å; A94-I98 WeakPolarHBondContact O-CG1 3.48Å; A94-I98 PolarHBondContact O-N 3.48Å; L95-I98 PolarHBondContact O-N 2.89Å; W96-I98 PolarHBondContact O-N 2.84Å; I98-Q100 PolarHBondContact O-N 2.99Å; I98-R101 PolarHBondContact O-N 3.33Å; I98-F102 WeakPolarHBondContact O-CB 3.41Å; I98-F102 PolarHBondContact O-N 3.13Å
99K97Very high96.9Very high143 Ų143111.2 Ų111.262%0.62251%0.514SS*.Hα-helixtrans-57.9-46175.4-176.2-178.3176720111.7L95 W96 R101 F102 D103L95-K99 WeakPolarHBondContact O-CB 3.35Å; L95-K99 PolarHBondContact O-N 3.22Å; W96-K99 PolarHBondContact O-N 3.32Å; K99-R101 PolarHBondContact O-N 2.91Å; K99-F102 PolarHBondContact O-N 3.38Å; K99-D103 PolarHBondContact O-N 3.37Å
100Q96.9Very high96.9Very high84 Ų84112.8 Ų112.839%0.39351%0.513SS..Hα-helixtrans-60.9-43.2176.8-172.5-174.713.200111.6W96 K97 I98 L104W96-Q100 WeakPolarHBondContact O-CB 3.46Å; W96-Q100 PolarHBondContact O-N 3.38Å; K97-Q100 PolarHBondContact O-N 3.48Å; I98-Q100 PolarHBondContact O-N 2.99Å; Q100-L104 WeakPolarHBondContact O-CG 3.34Å; Q100-L104 PolarHBondContact O-N 2.9Å; Q100-L104 VanDerWaalsContact O-N 3.15Å
101R96.4Very high96.8Very high180 Ų180112.3 Ų112.368%0.67951%0.506SS*.Hα-helixtrans-65.1-41.5175.9-72.8-71.2-169.8173.62.1111.6K97 I98 K99 L104 Y105K97-R101 WeakPolarHBondContact O-CB 3.43Å; K97-R101 VanDerWaalsContact O-CG 3.27Å; K97-R101 WeakPolarHBondContact O-CG 3.44Å; K97-R101 PolarHBondContact O-N 2.75Å; I98-R101 PolarHBondContact O-N 3.33Å; K99-R101 PolarHBondContact O-N 2.91Å; R101-L104 PolarHBondContact O-N 3Å; R101-Y105 WeakPolarHBondContact O-CB 3.39Å; R101-Y105 PolarHBondContact O-N 2.86Å
102F96.8Very high96.6Very high126 Ų126115.9 Ų115.955%0.55352%0.516SS*.Hα-helixtrans-64-43.7177.6-172.6-96000111.8I98 K99 L104 Y105 R106I98-F102 WeakPolarHBondContact O-CB 3.41Å; I98-F102 PolarHBondContact O-N 3.13Å; K99-F102 PolarHBondContact O-N 3.38Å; F102-L104 VanDerWaalsContact C-N 3.34Å; F102-L104 PolarHBondContact O-N 3.02Å; F102-Y105 PolarHBondContact O-N 3.42Å; F102-R106 WeakPolarHBondContact O-CB 3.49Å; F102-R106 PolarHBondContact O-N 3.43Å
103D96.2Very high96.5Very high67 Ų67117.5 Ų117.536%0.35852%0.52SS..Hα-helixtrans-60.2-43.4175.6-110.9-24.1000111.8K99 R107K99-D103 PolarHBondContact O-N 3.37Å; D103-R107 VanDerWaalsContact O-CG 3.25Å; D103-R107 WeakPolarHBondContact O-CG 3.39Å; D103-R107 PolarHBondContact O-N 3.24Å
104L95.4Very high96.2Very high76 Ų76115.7 Ų115.740%0.39851%0.513SS..Hα-helixtrans-65.2-41.5175.7-70173.3000112.2Q100 R101 F102 R107 R108Q100-L104 WeakPolarHBondContact O-CG 3.34Å; Q100-L104 PolarHBondContact O-N 2.9Å; Q100-L104 VanDerWaalsContact O-N 3.15Å; R101-L104 PolarHBondContact O-N 3Å; F102-L104 VanDerWaalsContact C-N 3.34Å; F102-L104 PolarHBondContact O-N 3.02Å; L104-R107 PolarHBondContact O-N 2.82Å; L104-R108 WeakPolarHBondContact O-CG 3.35Å; L104-R108 PolarHBondContact O-N 3Å
105Y96.3Very high95.9Very high134 Ų134119.5 Ų119.553%0.52553%0.526SS..Hα-helixtrans-63-47.1177.2-179.5-104.7000111.2R101 F102 R107 R108 Q109R101-Y105 WeakPolarHBondContact O-CB 3.39Å; R101-Y105 PolarHBondContact O-N 2.86Å; F102-Y105 PolarHBondContact O-N 3.42Å; Y105-R107 VanDerWaalsContact C-N 3.32Å; Y105-R107 PolarHBondContact O-N 3.03Å; Y105-R108 PolarHBondContact O-N 2.88Å; Y105-R108 VanDerWaalsContact O-N 3.13Å; Y105-Q109 HydrophobicContact CD1-CG 4.2Å; Y105-Q109 HydrophobicContact CE1-CG 3.84Å; Y105-Q109 HydrophobicContact CE2-CG 4.33Å; Y105-Q109 WeakPolarHBondContact O-CG 3.41Å; Y105-Q109 PolarHBondContact O-N 3.26Å; Y105-Q109 PolarHBondContact OH-NE2 3.47Å
106R96Very high95.5Very high123 Ų123116.8 Ų116.846%0.46452%0.518SS..Hα-helixtrans-60.3-41.2177.3-167.9177.8-169.3-170.42.1112F102 Q109 R110F102-R106 WeakPolarHBondContact O-CB 3.49Å; F102-R106 PolarHBondContact O-N 3.43Å; R106-Q109 PolarHBondContact O-N 3.21Å; R106-R110 VanDerWaalsContact CZ-NH2 3.25Å; R106-R110 WeakPolarHBondContact O-CG 3.47Å; R106-R110 PolarHBondContact O-N 3.43Å
107R96.4Very high95.2Very high151 Ų151114.6 Ų114.657%0.5752%0.516SS*.Hα-helixtrans-61.3-45.6173.9-72.4173-169-161.22.6111.5D103 L104 Y105 Q109 R110 L111D103-R107 VanDerWaalsContact O-CG 3.25Å; D103-R107 WeakPolarHBondContact O-CG 3.39Å; D103-R107 PolarHBondContact O-N 3.24Å; L104-R107 PolarHBondContact O-N 2.82Å; Y105-R107 VanDerWaalsContact C-N 3.32Å; Y105-R107 PolarHBondContact O-N 3.03Å; R107-Q109 PolarHBondContact O-N 2.9Å; R107-R110 PolarHBondContact O-N 3.15Å; R107-L111 WeakPolarHBondContact O-CG 3.32Å; R107-L111 PolarHBondContact O-N 2.89Å
108R96.4Very high94.6Very high183 Ų183115.9 Ų115.969%0.69152%0.524SS*.Hα-helixtrans-63.7-40.6177.7-72.3176.8-175.2-156.9-0.4112.6L104 Y105 L111 F112L104-R108 WeakPolarHBondContact O-CG 3.35Å; L104-R108 PolarHBondContact O-N 3Å; Y105-R108 PolarHBondContact O-N 2.88Å; Y105-R108 VanDerWaalsContact O-N 3.13Å; R108-L111 PolarHBondContact O-N 2.85Å; R108-F112 WeakPolarHBondContact O-CB 3.36Å; R108-F112 PolarHBondContact O-N 3.41Å
109Q96.6Very high94.1Very high89 Ų89113.4 Ų113.442%0.41652%0.521SS..Hα-helixtrans-61.8-46175.9-74.8-172.6-42.100111.8Y105 R106 R107 L111 F112 V113Y105-Q109 HydrophobicContact CD1-CG 4.2Å; Y105-Q109 HydrophobicContact CE1-CG 3.84Å; Y105-Q109 HydrophobicContact CE2-CG 4.33Å; Y105-Q109 WeakPolarHBondContact O-CG 3.41Å; Y105-Q109 PolarHBondContact O-N 3.26Å; Y105-Q109 PolarHBondContact OH-NE2 3.47Å; R106-Q109 PolarHBondContact O-N 3.21Å; R107-Q109 PolarHBondContact O-N 2.9Å; Q109-L111 PolarHBondContact O-N 3.46Å; Q109-F112 PolarHBondContact O-N 3.18Å; Q109-V113 WeakPolarHBondContact O-CG2 3.27Å; Q109-V113 PolarHBondContact O-N 3.33Å
110R96Very high93.5Very high129 Ų129111 Ų11149%0.48752%0.522SS..Hα-helixtrans-58.6-47.9175.9-71.9171.5179.4-180-3.7111.4R106 R107 F112 V113 E114R106-R110 VanDerWaalsContact CZ-NH2 3.25Å; R106-R110 WeakPolarHBondContact O-CG 3.47Å; R106-R110 PolarHBondContact O-N 3.43Å; R107-R110 PolarHBondContact O-N 3.15Å; R110-F112 VanDerWaalsContact C-N 3.33Å; R110-F112 PolarHBondContact O-N 2.8Å; R110-V113 PolarHBondContact O-N 2.83Å; R110-E114 WeakPolarHBondContact O-CB 3.25Å; R110-E114 WeakPolarHBondContact O-CG 3.37Å; R110-E114 PolarHBondContact O-N 2.83Å
111L95.4Very high93Very high88 Ų88114.2 Ų114.246%0.46153%0.53SS..Hα-helixtrans-59.3-42.4176.7-71.3171000112.2R107 R108 Q109 E114 M115R107-L111 WeakPolarHBondContact O-CG 3.32Å; R107-L111 PolarHBondContact O-N 2.89Å; R108-L111 PolarHBondContact O-N 2.85Å; Q109-L111 PolarHBondContact O-N 3.46Å; L111-E114 PolarHBondContact O-N 2.9Å; L111-M115 WeakPolarHBondContact O-CB 3.2Å; L111-M115 WeakPolarHBondContact O-CG 3.41Å; L111-M115 PolarHBondContact O-N 3.39Å
112F95.7Very high92.2Very high150 Ų150111.4 Ų111.466%0.65854%0.535SS*.Hα-helixtrans-63.7-42.5178.2-178-96.9000112.1R108 Q109 R110 M115 A116R108-F112 WeakPolarHBondContact O-CB 3.36Å; R108-F112 PolarHBondContact O-N 3.41Å; Q109-F112 PolarHBondContact O-N 3.18Å; R110-F112 VanDerWaalsContact C-N 3.33Å; R110-F112 PolarHBondContact O-N 2.8Å; F112-M115 PolarHBondContact O-N 2.81Å; F112-A116 WeakPolarHBondContact O-CB 3.2Å; F112-A116 PolarHBondContact O-N 3.38Å
113V95.2Very high90.7Very high91 Ų91113.5 Ų113.555%0.55255%0.545SS*.Hα-helixtrans-65.5-43.9176.6173.60000111.1Q109 R110 M115 A116 Q117Q109-V113 WeakPolarHBondContact O-CG2 3.27Å; Q109-V113 PolarHBondContact O-N 3.33Å; R110-V113 PolarHBondContact O-N 2.83Å; V113-M115 PolarHBondContact O-N 3.5Å; V113-A116 PolarHBondContact O-N 3.46Å; V113-Q117 PolarHBondContact O-N 3.45Å
114E92Very high89.4Confident98 Ų98112 Ų11246%0.45855%0.545SS..Hα-helixtrans-60.3-44.6175.4-74.1170.2-165.700111.4R110 L111 Q117 M118R110-E114 WeakPolarHBondContact O-CB 3.25Å; R110-E114 WeakPolarHBondContact O-CG 3.37Å; R110-E114 PolarHBondContact O-N 2.83Å; L111-E114 PolarHBondContact O-N 2.9Å; E114-Q117 PolarHBondContact O-N 2.89Å; E114-M118 VanDerWaalsContact O-CG 3.28Å; E114-M118 WeakPolarHBondContact O-CG 3.48Å; E114-M118 PolarHBondContact O-N 3.24Å
115M90Very high87.9Confident122 Ų122114.8 Ų114.860%0.60157%0.565SS**Hα-helixtrans-63.5-41.1175.8-72.2179.7-169.300112.1L111 F112 V113 M118 A119L111-M115 WeakPolarHBondContact O-CB 3.2Å; L111-M115 WeakPolarHBondContact O-CG 3.41Å; L111-M115 PolarHBondContact O-N 3.39Å; F112-M115 PolarHBondContact O-N 2.81Å; V113-M115 PolarHBondContact O-N 3.5Å; M115-M118 PolarHBondContact O-N 2.95Å; M115-A119 WeakPolarHBondContact O-CB 3.35Å; M115-A119 PolarHBondContact O-N 3.33Å
116A90.6Very high86.6Confident50 Ų50113.3 Ų113.341%0.41357%0.569SS.*Hα-helixtrans-63.7-41176.800000111.8F112 V113 A119 S120F112-A116 WeakPolarHBondContact O-CB 3.2Å; F112-A116 PolarHBondContact O-N 3.38Å; V113-A116 PolarHBondContact O-N 3.46Å; A116-A119 PolarHBondContact O-N 3.26Å; A116-S120 PolarHBondContact O-N 2.9Å
117Q89.1Confident85.3Confident133 Ų133116 Ų11662%0.62159%0.587SS**Hα-helixtrans-66.7-35.7174.3-175.3-178-14.500112.2V113 E114 A119 S120V113-Q117 PolarHBondContact O-N 3.45Å; E114-Q117 PolarHBondContact O-N 2.89Å; Q117-A119 VanDerWaalsContact C-N 3.33Å; Q117-S120 PolarHBondContact O-OG 2.79Å
118M85.8Confident83.9Confident104 Ų104114.5 Ų114.551%0.51259%0.59SS.*Hα-helixtrans-66.6-36.8172.5-69.9179.8-164.400111.5E114 M115 R121E114-M118 VanDerWaalsContact O-CG 3.28Å; E114-M118 WeakPolarHBondContact O-CG 3.48Å; E114-M118 PolarHBondContact O-N 3.24Å; M115-M118 PolarHBondContact O-N 2.95Å; M118-R121 WeakPolarHBondContact O-CD 3.39Å; M118-R121 WeakPolarHBondContact O-CG 3.27Å
119A85.8Confident82.6Confident61 Ų61114.2 Ų114.250%0.50460%0.596SS.*Hα-helixtrans-74.7-28.6178.700000113.7M115 A116 Q117 R121M115-A119 WeakPolarHBondContact O-CB 3.35Å; M115-A119 PolarHBondContact O-N 3.33Å; A116-A119 PolarHBondContact O-N 3.26Å; Q117-A119 VanDerWaalsContact C-N 3.33Å; A119-R121 PolarHBondContact O-N 3.28Å
120S85.8Confident81.1Confident92 Ų92115.4 Ų115.464%0.64361%0.605SS**THydrogen-bonded Turntrans-781.8-179.172.90000114.6A116 Q117A116-S120 PolarHBondContact O-N 2.9Å; Q117-S120 PolarHBondContact O-OG 2.79Å
121R85.1Confident79.7Confident152 Ų152112.8 Ų112.857%0.57460%0.603SS**SBendtrans-65.6150.9176-63.5174.6-175.8-179.11109.6M118 A119 F123 G124M118-R121 WeakPolarHBondContact O-CD 3.39Å; M118-R121 WeakPolarHBondContact O-CG 3.27Å; A119-R121 PolarHBondContact O-N 3.28Å; R121-F123 PolarHBondContact O-N 3.37Å; R121-G124 PolarHBondContact O-N 2.89Å
122P78.9Confident78.2Confident121 Ų121114 Ų11479%0.78662%0.616SS**THydrogen-bonded Turntrans-58.2-10.6176.321.8-32.2000114.2
123F67.1Low76.4Confident170 Ų170114 Ų11475%0.74662%0.623SS**THydrogen-bonded Turntrans-128.533.9173.3-51.8-73.5000112.4R121 V125R121-F123 PolarHBondContact O-N 3.37Å; F123-V125 PolarHBondContact O-N 3.49Å
124G67.7Low74.7Confident35 Ų35111 Ų11136%0.36161%0.609SS.*SBendtrans-63.9-23.7-176.700000114.4R121R121-G124 PolarHBondContact O-N 2.89Å
125V65Low73.1Confident135 Ų135111.8 Ų111.882%0.81862%0.624SS**SBendtrans-129.5124.1174.8-176.30000108.4F123F123-V125 PolarHBondContact O-N 3.49Å
126V67.9Low71.6Confident102 Ų102113.5 Ų113.562%0.61863%0.631SS**  trans-113.1120.4175.6-178.20000108.3L128V126-L128 HydrophobicContact CG1-CD2 4.5Å; V126-L128 PolarHBondContact O-N 2.97Å
127Q69.5Low70.2Confident181 Ų181116.6 Ų116.685%0.84664%0.636SS**  trans-74.7112171.8-174.3175.8-10.400108.8Q129Q127-Q129 PolarHBondContact O-N 3.3Å
128L67.2Low69Low118 Ų118121.8 Ų121.862%0.61865%0.649SS**  trans-85.4107.9174.4-66.3170.1000108.7V126 L130 V160V126-L128 HydrophobicContact CG1-CD2 4.5Å; V126-L128 PolarHBondContact O-N 2.97Å; L128-L130 HydrophobicContact CB-CD1 3.95Å; L128-L130 PolarHBondContact O-N 3.44Å; L128-V160 HydrophobicContact CD2-CG1 4.5Å
129Q68.1Low68.3Low177 Ų177123.3 Ų123.383%0.82766%0.66SS**  trans-84.8101.3167.5-172.6172.8-4.500108.5Q127 T131Q127-Q129 PolarHBondContact O-N 3.3Å; Q129-T131 PolarHBondContact O-N 3.26Å
130L65.8Low67.7Low114 Ų114123.2 Ų123.260%0.59765%0.654SS**  trans-81.3112.6170.4-73.283.2000107.8L128 P132L128-L130 HydrophobicContact CB-CD1 3.95Å; L128-L130 PolarHBondContact O-N 3.44Å; L130-P132 WeakPolarHBondContact O-CD 3.32Å
131T66.7Low67.5Low75 Ų75130 Ų13046%0.4667%0.665SS.*  trans-62.7120.6173.3-510000109Q129 D133Q129-T131 PolarHBondContact O-N 3.26Å; T131-D133 HydrophobicContact CG2-CB 4.25Å; T131-D133 PolarHBondContact O-N 3.48Å
132P62.9Low67.5Low113 Ų113125 Ų12573%0.73465%0.653SS**THydrogen-bonded Turntrans-66.2-24.9-177.225.8-33.5000112.7L130 A134L130-P132 WeakPolarHBondContact O-CD 3.32Å; P132-A134 PolarHBondContact O-N 2.89Å; P132-A134 VanDerWaalsContact O-N 3.13Å
133D59.1Low67.8Low149 Ų149124.9 Ų124.980%0.79764%0.644SS**THydrogen-bonded Turntrans-75.5-1.8-169.1-57.4-20.9000114.7T131T131-D133 HydrophobicContact CG2-CB 4.25Å; T131-D133 PolarHBondContact O-N 3.48Å
134A58.2Low68.8Low30 Ų30119 Ų11925%0.24863%0.628CS.*  trans-115.197.6169.400000109P132 Q136 F137P132-A134 PolarHBondContact O-N 2.89Å; P132-A134 VanDerWaalsContact O-N 3.13Å; A134-Q136 PolarHBondContact O-N 3.27Å; A134-F137 HydrophobicContact CB-CD2 3.38Å; A134-F137 HydrophobicContact CB-CE2 3.56Å; A134-F137 PolarHBondContact O-N 3Å
135S59.6Low69.8Low113 Ų113120.1 Ų120.179%0.7963%0.625SS**THydrogen-bonded Turntrans-45.9-18.2167.153.70000114.2
136Q58Low70.9Confident159 Ų159120.5 Ų120.574%0.74362%0.617SS**THydrogen-bonded Turntrans-69.5-24.7172.6-61.4-176.16.800114.5A134 N139A134-Q136 PolarHBondContact O-N 3.27Å; Q136-N139 CarbonylContact O-C 3.58Å
137F60.4Low71.9Confident115 Ų115117.7 Ų117.750%0.50460%0.601SS.*THydrogen-bonded Turntrans-85.4-13.6-177.9-71.6-69.7000114.7A134 N139 P140A134-F137 HydrophobicContact CB-CD2 3.38Å; A134-F137 HydrophobicContact CB-CE2 3.56Å; A134-F137 PolarHBondContact O-N 3Å; F137-N139 PolarHBondContact O-N 3.49Å; F137-P140 WeakPolarHBondContact O-CD 3.38Å
138R65.4Low72.8Confident241 Ų241111.3 Ų111.391%0.90958%0.576SS**THydrogen-bonded Turntrans-67-21.5172.8-166176.3-179.5-143.30.6111.8
139N70.5Confident73.7Confident136 Ų136113 Ų11373%0.72759%0.586SS**SBendtrans-140.673.1176.4-158.84.5000109.9Q136 F137 R141Q136-N139 CarbonylContact O-C 3.58Å; F137-N139 PolarHBondContact O-N 3.49Å; N139-R141 PolarHBondContact O-N 3.25Å
140P73Confident74.4Confident60 Ų60110.4 Ų110.439%0.3958%0.577SS.*PPolyproline II helixtrans-61.7131.1-177.827.6-32.4000109F137 P142 F158F137-P140 WeakPolarHBondContact O-CD 3.38Å; P140-P142 WeakPolarHBondContact O-CD 3.28Å; P140-F158 HydrophobicContact CB-CD1 4.1Å; P140-F158 HydrophobicContact CB-CE1 3.96Å; P140-F158 HydrophobicContact CG-CD1 4.33Å; P140-F158 HydrophobicContact CG-CE1 3.84Å; P140-F158 HydrophobicContact CG-CZ 4.43Å; P140-F158 WeakPolarHBondContact O-CE1 3.41Å
141R81Confident75.3Confident234 Ų234109.2 Ų109.288%0.88357%0.566SS**PPolyproline II helixtrans-75.9121.9175.5-71.5-175.6-178.61780.6109.1N139N139-R141 PolarHBondContact O-N 3.25Å
142P84.8Confident76.2Confident48 Ų48115.1 Ų115.131%0.31258%0.579SS.*PPolyproline II helixtrans-65.8145.5174.528.5-34.2000110.2P140 I145 V156 T157 F158P140-P142 WeakPolarHBondContact O-CD 3.28Å; P142-I145 HydrophobicContact CB-CD1 4.4Å; P142-I145 HydrophobicContact CB-CG1 3.96Å; P142-I145 HydrophobicContact CG-CD1 3.54Å; P142-I145 HydrophobicContact CG-CG1 3.63Å; P142-V156 HydrophobicContact CB-CB 4.3Å; P142-T157 CarbonylContact C-O 3.53Å; P142-T157 WeakPolarHBondContact CA-O 3.45Å; P142-F158 HydrophobicContact CB-CD1 4.39Å; P142-F158 HydrophobicContact CB-CE1 3.89Å; P142-F158 HydrophobicContact CB-CZ 4.19Å
143I86.7Confident77.5Confident117 Ų117110.9 Ų110.960%0.655%0.554SS**SBendtrans-74.8-40.8175.5-63.2175.7000110T157 A159I143-T157 PolarHBondContact N-O 3.46Å; I143-A159 HydrophobicContact CD1-CB 3.45Å; I143-A159 VanDerWaalsContact CD1-CB 3.45Å
144A88.2Confident79Confident48 Ų48103.8 Ų103.840%0.39752%0.516SS..EExtended strand (participates in β ladder)trans-142.9148.4178.500000109.6T157A144-T157 PolarHBondContact O-N 3.2Å
145I87.9Confident80.6Confident58 Ų58104.8 Ų104.830%0.29752%0.519SS..EExtended strand (participates in β ladder)trans-132.8115.1174-49.2-176.4000106.4P142 A154 V155 V156 L194P142-I145 HydrophobicContact CB-CD1 4.4Å; P142-I145 HydrophobicContact CB-CG1 3.96Å; P142-I145 HydrophobicContact CG-CD1 3.54Å; P142-I145 HydrophobicContact CG-CG1 3.63Å; I145-A154 HydrophobicContact CG2-CB 3.7Å; I145-V155 WeakPolarHBondContact CA-O 3.3Å; I145-V156 HydrophobicContact CB-CG1 4.4Å; I145-V156 HydrophobicContact CG1-CG1 4.05Å; I145-V156 HydrophobicContact CG2-CG1 3.97Å; I145-L194 HydrophobicContact CB-CD2 4.3Å; I145-L194 HydrophobicContact CG2-CD1 4.12Å; I145-L194 HydrophobicContact CG2-CD2 4.15Å
146E88.5Confident82Confident142 Ų14299.9 Ų99.966%0.66448%0.484SS*.EExtended strand (participates in β ladder)trans-108.4112.4177.3-170.4178.5169.700109.3A154 V155E146-A154 CarbonylContact O-C 3.5Å; E146-A154 WeakPolarHBondContact O-CA 3.42Å; E146-A154 WeakPolarHBondContact O-CB 3.31Å; E146-V155 PolarHBondContact N-O 2.98Å; E146-V155 PolarHBondContact O-N 3.5Å
147P88.9Confident83.6Confident43 Ų4393.9 Ų93.928%0.27946%0.459SS..EExtended strand (participates in β ladder)trans-68.2139.2176.826.7-31.1000111Y151 L194P147-Y151 HydrophobicContact CB-CD1 3.62Å; P147-Y151 HydrophobicContact CB-CE1 3.72Å; P147-Y151 HydrophobicContact CB-CG 4.43Å; P147-Y151 HydrophobicContact CG-CD1 4.21Å; P147-Y151 HydrophobicContact CG-CE1 3.79Å; P147-L194 HydrophobicContact CB-CD1 4.29Å
148C87.7Confident84.9Confident48 Ų4890.9 Ų90.932%0.32445%0.446SS..  trans-71.7165.8168-610000110.6D150 Y151 A153C148-D150 PolarHBondContact O-N 3.3Å; C148-Y151 PolarHBondContact O-N 2.92Å; C148-A153 WeakPolarHBondContact CB-O 3.37Å; C148-A153 PolarHBondContact N-O 3.43Å
149N85.5Confident85.9Confident154 Ų15481.9 Ų81.982%0.82442%0.423SS*.THydrogen-bonded Turntrans-51.6-34.7-174.6-155.342.7000114.4
150D84.5Confident86.6Confident121 Ų12177.6 Ų77.665%0.64740%0.402SS*.THydrogen-bonded Turntrans-93.62.6-178.7-60.9-22.8000113.8C148 R152C148-D150 PolarHBondContact O-N 3.3Å; D150-R152 HydrophobicContact CB-CG 4.39Å; D150-R152 PolarHBondContact O-N 3.08Å
151Y83.9Confident87Confident89 Ų8982.4 Ų82.435%0.34941%0.412SS..SBendtrans5210.9-175.2-66.5-95.2000116.1P147 C148 L191 Q195P147-Y151 HydrophobicContact CB-CD1 3.62Å; P147-Y151 HydrophobicContact CB-CE1 3.72Å; P147-Y151 HydrophobicContact CB-CG 4.43Å; P147-Y151 HydrophobicContact CG-CD1 4.21Å; P147-Y151 HydrophobicContact CG-CE1 3.79Å; C148-Y151 PolarHBondContact O-N 2.92Å; Y151-L191 HydrophobicContact CG-CD1 4.45Å; Y151-L191 WeakPolarHBondContact O-CD1 3.43Å; Y151-Q195 HydrophobicContact CD1-CG 4.21Å; Y151-Q195 HydrophobicContact CE1-CG 4.03Å
152R85.5Confident87.1Confident199 Ų19974.4 Ų74.475%0.75139%0.386SS*.SBendtrans-80.2-27175.4-69.6176.5-179.9-92.7-1.3112.6D150 V186D150-R152 HydrophobicContact CB-CG 4.39Å; D150-R152 PolarHBondContact O-N 3.08Å; R152-V186 PolarHBondContact O-N 2.81Å
153A89.5Confident86.8Confident24 Ų2477.9 Ų77.920%0.19841%0.409CS..EExtended strand (participates in β ladder)trans-133.1154.517800000109.4C148 L183 C184 V186C148-A153 WeakPolarHBondContact CB-O 3.37Å; C148-A153 PolarHBondContact N-O 3.43Å; A153-L183 HydrophobicContact CB-CD1 3.94Å; A153-L183 HydrophobicContact CB-CG 4.41Å; A153-C184 CarbonylContact C-O 3.52Å; A153-C184 VanDerWaalsContact CA-O 3.29Å; A153-C184 WeakPolarHBondContact CA-O 3.42Å; A153-V186 VanDerWaalsContact C-CG2 3.48Å
154A90.6Very high86.6Confident1 Ų173.5 Ų73.51%0.00839%0.387CS..EExtended strand (participates in β ladder)trans-137.3148.617300000109.4I145 E146 C184 V186I145-A154 HydrophobicContact CG2-CB 3.7Å; E146-A154 CarbonylContact O-C 3.5Å; E146-A154 WeakPolarHBondContact O-CA 3.42Å; E146-A154 WeakPolarHBondContact O-CB 3.31Å; A154-C184 PolarHBondContact N-O 3.25Å; A154-C184 PolarHBondContact O-N 2.97Å; A154-C184 PolarHBondContact O-SG 3.28Å; A154-V186 HydrophobicContact CB-CG2 3.4Å
155V91.7Very high86.2Confident50 Ų5074.9 Ų74.930%0.30341%0.407SS..EExtended strand (participates in β ladder)trans-88.8117.5169.3-176.10000107.2I145 E146 L183I145-V155 WeakPolarHBondContact CA-O 3.3Å; E146-V155 PolarHBondContact N-O 2.98Å; E146-V155 PolarHBondContact O-N 3.5Å; V155-L183 HydrophobicContact CG2-CD1 4.16Å
156V90.6Very high85.8Confident10 Ų1076 Ų766%0.06143%0.432CS..EExtended strand (participates in β ladder)trans-101.7140.1175.7-69.50000110P142 I145 F158 S181 A182 C184P142-V156 HydrophobicContact CB-CB 4.3Å; I145-V156 HydrophobicContact CB-CG1 4.4Å; I145-V156 HydrophobicContact CG1-CG1 4.05Å; I145-V156 HydrophobicContact CG2-CG1 3.97Å; V156-F158 HydrophobicContact CB-CE2 4Å; V156-F158 HydrophobicContact CB-CZ 4.32Å; V156-F158 HydrophobicContact CG2-CD2 4.34Å; V156-F158 HydrophobicContact CG2-CE2 3.48Å; V156-F158 VanDerWaalsContact CG2-CE2 3.48Å; V156-F158 HydrophobicContact CG2-CZ 4.07Å; V156-S181 CarbonylContact O-C 3.57Å; V156-S181 VanDerWaalsContact O-CA 3.24Å; V156-S181 WeakPolarHBondContact O-CA 3.46Å; V156-A182 HydrophobicContact CG2-CB 3.99Å; V156-A182 WeakPolarHBondContact CG2-O 3.01Å; V156-A182 PolarHBondContact N-O 2.87Å; V156-A182 PolarHBondContact O-N 2.9Å; V156-C184 WeakPolarHBondContact CG1-SG 3.49Å; V156-C184 HydrophobicContact CG2-CB 4.39Å
157T91.5Very high85.5Confident34 Ų3475.7 Ų75.721%0.20943%0.431CS..EExtended strand (participates in β ladder)trans-115127.6-178.5-57.90000110P142 I143 A144 V179 A180P142-T157 CarbonylContact C-O 3.53Å; P142-T157 WeakPolarHBondContact CA-O 3.45Å; I143-T157 PolarHBondContact N-O 3.46Å; A144-T157 PolarHBondContact O-N 3.2Å; T157-V179 HydrophobicContact CG2-CG1 3.25Å; T157-A180 CarbonylContact C-O 3.53Å; T157-A180 WeakPolarHBondContact CA-O 3.22Å
158F86.5Confident85.2Confident52 Ų5282 Ų8223%0.22845%0.454CS..EExtended strand (participates in β ladder)trans-119.4146.2177-62.6-78.7000110.4P140 P142 V156 V160 V179 A180P140-F158 HydrophobicContact CB-CD1 4.1Å; P140-F158 HydrophobicContact CB-CE1 3.96Å; P140-F158 HydrophobicContact CG-CD1 4.33Å; P140-F158 HydrophobicContact CG-CE1 3.84Å; P140-F158 HydrophobicContact CG-CZ 4.43Å; P140-F158 WeakPolarHBondContact O-CE1 3.41Å; P142-F158 HydrophobicContact CB-CD1 4.39Å; P142-F158 HydrophobicContact CB-CE1 3.89Å; P142-F158 HydrophobicContact CB-CZ 4.19Å; V156-F158 HydrophobicContact CB-CE2 4Å; V156-F158 HydrophobicContact CB-CZ 4.32Å; V156-F158 HydrophobicContact CG2-CD2 4.34Å; V156-F158 HydrophobicContact CG2-CE2 3.48Å; V156-F158 VanDerWaalsContact CG2-CE2 3.48Å; V156-F158 HydrophobicContact CG2-CZ 4.07Å; F158-V160 HydrophobicContact CB-CG2 4.49Å; F158-V179 WeakPolarHBondContact O-CA 3.44Å; F158-A180 PolarHBondContact N-O 3.44Å; F158-A180 PolarHBondContact O-N 3.36Å
159A87Confident85.1Confident52 Ų5287.8 Ų87.843%0.4347%0.474SS..EExtended strand (participates in β ladder)trans-86.4130.9161.900000108.9I143 L177I143-A159 HydrophobicContact CD1-CB 3.45Å; I143-A159 VanDerWaalsContact CD1-CB 3.45Å; A159-L177 HydrophobicContact CB-CD1 3.99Å
160V84.7Confident85.1Confident46 Ų4683.2 Ų83.228%0.27945%0.452SS..EExtended strand (participates in β ladder)trans-122.5134.2179.8-175.60000108.6L128 F158 L177 A178 A180L128-V160 HydrophobicContact CD2-CG1 4.5Å; F158-V160 HydrophobicContact CB-CG2 4.49Å; V160-L177 WeakPolarHBondContact O-CA 3.02Å; V160-A178 PolarHBondContact N-O 2.96Å; V160-A178 PolarHBondContact O-N 2.89Å; V160-A180 HydrophobicContact CG2-CB 3.65Å
161R81.6Confident85.2Confident161 Ų16180.5 Ų80.561%0.60844%0.44SS*.EExtended strand (participates in β ladder)trans-78.2125.9172.3-175.5178.4176.1168.32.1109.4K168 G176R161-K168 PolarHBondContact NH2-O 3.42Å; R161-G176 CarbonylContact C-O 3.55Å; R161-G176 VanDerWaalsContact CA-O 3.3Å; R161-G176 WeakPolarHBondContact CA-O 3.31Å
162L84.1Confident85.3Confident65 Ų6584.2 Ų84.234%0.3447%0.466SS..PPolyproline II helixtrans-76.5151.9175.4-68.3177.3000111.1T164 T175 G176 A178L162-T164 PolarHBondContact O-N 3.34Å; L162-T175 WeakPolarHBondContact CD1-O 3.28Å; L162-G176 PolarHBondContact N-O 2.82Å; L162-A178 HydrophobicContact CD1-CB 4.03Å; L162-A178 HydrophobicContact CD2-CB 3.71Å; L162-A178 HydrophobicContact CG-CB 3.82Å
163P77.8Confident85.3Confident121 Ų12179.2 Ų79.279%0.78648%0.476SS*.PPolyproline II helixtrans-63.4124.2-178.826-34.3000110.9G165P163-G165 VanDerWaalsContact C-N 3.34Å
164T81.6Confident85.2Confident25 Ų2584.3 Ų84.315%0.15350%0.496CS..  trans-94.719.9-179.849.40000113.2L162 G166 Q167 V170L162-T164 PolarHBondContact O-N 3.34Å; T164-G166 PolarHBondContact O-N 3.11Å; T164-Q167 VanDerWaalsContact CB-O 3.32Å; T164-Q167 WeakPolarHBondContact CB-O 3.45Å; T164-Q167 WeakPolarHBondContact O-CB 3.48Å; T164-Q167 PolarHBondContact O-N 2.56Å; T164-Q167 PolarHBondContact OG1-O 3.21Å; T164-V170 HydrophobicContact CG2-CG1 3.72Å
165G80.6Confident84.9Confident78 Ų7889.4 Ų89.480%0.80453%0.527SS*.THydrogen-bonded Turntrans60.62717700000114.9P163 Q167P163-G165 VanDerWaalsContact C-N 3.34Å; G165-Q167 VanDerWaalsContact C-N 3.33Å
166G78.9Confident84.7Confident81 Ų8187.8 Ų87.884%0.83552%0.521SS*.THydrogen-bonded Turntrans87.9-7.8-174.600000114.7T164T164-G166 PolarHBondContact O-N 3.11Å
167Q82.9Confident84.6Confident135 Ų13592.8 Ų92.863%0.63155%0.546SS*.  trans-79149176.7-59.5-63.5-3.600111.9T164 G165 F169T164-Q167 VanDerWaalsContact CB-O 3.32Å; T164-Q167 WeakPolarHBondContact CB-O 3.45Å; T164-Q167 WeakPolarHBondContact O-CB 3.48Å; T164-Q167 PolarHBondContact O-N 2.56Å; T164-Q167 PolarHBondContact OG1-O 3.21Å; G165-Q167 VanDerWaalsContact C-N 3.33Å; Q167-F169 VanDerWaalsContact C-N 3.32Å; Q167-F169 WeakPolarHBondContact CB-O 3.49Å
168K83Confident84.4Confident175 Ų17592.6 Ų92.676%0.76155%0.549SS*.SBendtrans-67-35.2176.4-71.6-176.1-179.9178.20112.2R161R161-K168 PolarHBondContact NH2-O 3.42Å
169F85.7Confident84.5Confident171 Ų17195.4 Ų95.475%0.7557%0.57SS**SBendtrans-115.8159.7-179.7-61.2-79000110.5Q167Q167-F169 VanDerWaalsContact C-N 3.32Å; Q167-F169 WeakPolarHBondContact CB-O 3.49Å
170V85.6Confident84.6Confident58 Ų5894.9 Ų94.935%0.35257%0.565SS.*PPolyproline II helixtrans-68.9145.1173.1-65.10000109.5T164 G176T164-V170 HydrophobicContact CG2-CG1 3.72Å; V170-G176 VanDerWaalsContact CG1-N 3.34Å
171P85.5Confident84.8Confident63 Ų6397 Ų9741%0.40958%0.583SS.*PPolyproline II helixtrans-63.4150.7170.327.7-32.9000110.4G173 Q174P171-G173 PolarHBondContact O-N 2.97Å; P171-Q174 HydrophobicContact CG-CB 4.06Å; P171-Q174 HydrophobicContact CG-CG 4.04Å; P171-Q174 PolarHBondContact O-N 3.46Å; P171-Q174 VanDerWaalsContact O-N 3.15Å
172D86Confident85Confident168 Ų16891.6 Ų91.690%0.89857%0.572SS**THydrogen-bonded Turntrans-56.7134.3-179.3-65.9-35.5000111.1Q174D172-Q174 VanDerWaalsContact C-N 3.34Å; D172-Q174 PolarHBondContact O-N 3.42Å
173G86.2Confident85.3Confident93 Ų9394.5 Ų94.596%0.95959%0.587SS**THydrogen-bonded Turntrans83.9-4.8-178.800000115.7P171P171-G173 PolarHBondContact O-N 2.97Å
174Q86.9Confident85.8Confident132 Ų13290.5 Ų90.562%0.61756%0.562SS**  trans-105.9154173.9-63.6-171.64.300112.6P171 D172P171-Q174 HydrophobicContact CG-CB 4.06Å; P171-Q174 HydrophobicContact CG-CG 4.04Å; P171-Q174 PolarHBondContact O-N 3.46Å; P171-Q174 VanDerWaalsContact O-N 3.15Å; D172-Q174 VanDerWaalsContact C-N 3.34Å; D172-Q174 PolarHBondContact O-N 3.42Å
175T85.5Confident86.1Confident107 Ų10794.9 Ų94.966%0.65659%0.589SS**  trans-94.5132.2173.155.90000110.1L162L162-T175 WeakPolarHBondContact CD1-O 3.28Å
176G87.2Confident86.3Confident17 Ų1792.3 Ų92.318%0.17556%0.557CS.*SBendtrans-94.86.5174.800000114.3R161 L162 V170R161-G176 CarbonylContact C-O 3.55Å; R161-G176 VanDerWaalsContact CA-O 3.3Å; R161-G176 WeakPolarHBondContact CA-O 3.31Å; L162-G176 PolarHBondContact N-O 2.82Å; V170-G176 VanDerWaalsContact CG1-N 3.34Å
177L86.9Confident86.4Confident114 Ų11491.7 Ų91.760%0.59754%0.537SS*.EExtended strand (participates in β ladder)trans-131129-173.7-167.672.9000108.2A159 V160A159-L177 HydrophobicContact CB-CD1 3.99Å; V160-L177 WeakPolarHBondContact O-CA 3.02Å
178A87.8Confident86.3Confident31 Ų3190.7 Ų90.726%0.25654%0.542SS..EExtended strand (participates in β ladder)trans-122.1153171.100000109.8V160 L162V160-A178 PolarHBondContact N-O 2.96Å; V160-A178 PolarHBondContact O-N 2.89Å; L162-A178 HydrophobicContact CD1-CB 4.03Å; L162-A178 HydrophobicContact CD2-CB 3.71Å; L162-A178 HydrophobicContact CG-CB 3.82Å
179V90.1Very high86Confident110 Ų11085.7 Ų85.767%0.66753%0.534SS*.EExtended strand (participates in β ladder)trans-97.5123170.8-179.60000107.5T157 F158T157-V179 HydrophobicContact CG2-CG1 3.25Å; F158-V179 WeakPolarHBondContact O-CA 3.44Å
180A87.3Confident85.6Confident41 Ų4180.6 Ų80.634%0.33951%0.513SS..EExtended strand (participates in β ladder)trans-110.1134.2175.300000109.4T157 F158 V160T157-A180 CarbonylContact C-O 3.53Å; T157-A180 WeakPolarHBondContact CA-O 3.22Å; F158-A180 PolarHBondContact N-O 3.44Å; F158-A180 PolarHBondContact O-N 3.36Å; V160-A180 HydrophobicContact CG2-CB 3.65Å
181S89.9Confident85.3Confident92 Ų9280.4 Ų80.464%0.64351%0.509SS*.EExtended strand (participates in β ladder)trans-109.3141.5170.954.60000110.2V156V156-S181 CarbonylContact O-C 3.57Å; V156-S181 VanDerWaalsContact O-CA 3.24Å; V156-S181 WeakPolarHBondContact O-CA 3.46Å
182A86.5Confident84.9Confident46 Ų4680 Ų8038%0.3851%0.512SS..EExtended strand (participates in β ladder)trans-133.6142.2173.800000109.9V156V156-A182 HydrophobicContact CG2-CB 3.99Å; V156-A182 WeakPolarHBondContact CG2-O 3.01Å; V156-A182 PolarHBondContact N-O 2.87Å; V156-A182 PolarHBondContact O-N 2.9Å
183L89.3Confident84.4Confident126 Ų12679 Ų7966%0.6650%0.502SS*.EExtended strand (participates in β ladder)trans-85.2122.2170.9-17472.1000108.5A153 V155A153-L183 HydrophobicContact CB-CD1 3.94Å; A153-L183 HydrophobicContact CB-CG 4.41Å; V155-L183 HydrophobicContact CG2-CD1 4.16Å
184C87.7Confident83.7Confident38 Ų3877 Ų7726%0.25747%0.468SS..EExtended strand (participates in β ladder)trans-124148.6176.2660000111.5A153 A154 V156A153-C184 CarbonylContact C-O 3.52Å; A153-C184 VanDerWaalsContact CA-O 3.29Å; A153-C184 WeakPolarHBondContact CA-O 3.42Å; A154-C184 PolarHBondContact N-O 3.25Å; A154-C184 PolarHBondContact O-N 2.97Å; A154-C184 PolarHBondContact O-SG 3.28Å; V156-C184 WeakPolarHBondContact CG1-SG 3.49Å; V156-C184 HydrophobicContact CG2-CB 4.39Å
185T88.3Confident83.1Confident117 Ų11776 Ų7672%0.71846%0.463SS*.EExtended strand (participates in β ladder)trans-71129.9169.752.10000109.5T187T185-T187 PolarHBondContact O-N 3.48Å
186V85.6Confident82.4Confident23 Ų2375 Ų7514%0.13946%0.457CS..PPolyproline II helixtrans-79.8123.2-179.1-179.90000108.5R152 A153 A154 Q190 L191 L194R152-V186 PolarHBondContact O-N 2.81Å; A153-V186 VanDerWaalsContact C-CG2 3.48Å; A154-V186 HydrophobicContact CB-CG2 3.4Å; V186-Q190 HydrophobicContact CG1-CB 3.82Å; V186-L191 HydrophobicContact CG1-CB 4.12Å; V186-L194 HydrophobicContact CG1-CD1 4.23Å
187T81.7Confident81.4Confident69 Ų6979.2 Ų79.242%0.42348%0.482SS..PPolyproline II helixtrans-73151.4172.460.20000110T185 A189 Q190 L191T185-T187 PolarHBondContact O-N 3.48Å; T187-A189 PolarHBondContact O-N 3.09Å; T187-A189 VanDerWaalsContact O-N 3.07Å; T187-Q190 PolarHBondContact O-N 3.19Å; T187-Q190 WeakPolarHBondContact OG1-CG 3.26Å; T187-Q190 PolarHBondContact OG1-OE1 3.29Å; T187-L191 PolarHBondContact O-N 3.45Å
188P79.2Confident80.1Confident113 Ų11379.7 Ų79.773%0.73449%0.492SS*.Hα-helixtrans-56.7-28.7-179.821.3-33.2000113.4L191 A192P188-L191 WeakPolarHBondContact O-CB 3.37Å; P188-L191 PolarHBondContact O-N 3.38Å; P188-A192 PolarHBondContact O-N 3.27Å
189A78.1Confident78.6Confident71 Ų7185.6 Ų85.659%0.58752%0.518SS*.Hα-helixtrans-68-39174.700000113.1T187T187-A189 PolarHBondContact O-N 3.09Å; T187-A189 VanDerWaalsContact O-N 3.07Å
190Q76.6Confident77Confident64 Ų6486.7 Ų86.730%0.29953%0.525SS..Hα-helixtrans-72.7-33.8175.7-71.5171.4-55.300111.8V186 T187 A192 Q193 L194V186-Q190 HydrophobicContact CG1-CB 3.82Å; T187-Q190 PolarHBondContact O-N 3.19Å; T187-Q190 WeakPolarHBondContact OG1-CG 3.26Å; T187-Q190 PolarHBondContact OG1-OE1 3.29Å; Q190-A192 VanDerWaalsContact C-N 3.3Å; Q190-A192 PolarHBondContact O-N 2.77Å; Q190-Q193 PolarHBondContact O-N 3.46Å; Q190-Q193 VanDerWaalsContact O-N 3.13Å; Q190-L194 WeakPolarHBondContact O-CG 3.42Å; Q190-L194 PolarHBondContact O-N 2.67Å
191L78.5Confident75.5Confident53 Ų5390.5 Ų90.528%0.27754%0.544SS..Hα-helixtrans-55.4-46.6175.8-171.7113.8000111.3Y151 V186 T187 P188 Q193 L194 Q195Y151-L191 HydrophobicContact CG-CD1 4.45Å; Y151-L191 WeakPolarHBondContact O-CD1 3.43Å; V186-L191 HydrophobicContact CG1-CB 4.12Å; T187-L191 PolarHBondContact O-N 3.45Å; P188-L191 WeakPolarHBondContact O-CB 3.37Å; P188-L191 PolarHBondContact O-N 3.38Å; L191-Q193 VanDerWaalsContact C-N 3.27Å; L191-Q193 PolarHBondContact O-N 3.24Å; L191-L194 PolarHBondContact O-N 3.41Å; L191-Q195 HydrophobicContact CG-CG 4.49Å; L191-Q195 WeakPolarHBondContact O-CB 3.18Å; L191-Q195 WeakPolarHBondContact O-CG 3.1Å; L191-Q195 PolarHBondContact O-N 3.21Å
192A77.1Confident73.4Confident56 Ų5693.6 Ų93.646%0.46355%0.548SS..Hα-helixtrans-59.6-37.5178.300000112.5P188 Q190 T196P188-A192 PolarHBondContact O-N 3.27Å; Q190-A192 VanDerWaalsContact C-N 3.3Å; Q190-A192 PolarHBondContact O-N 2.77Å; A192-T196 WeakPolarHBondContact O-CG2 3.3Å; A192-T196 PolarHBondContact O-N 3.27Å
193Q77.1Confident71.6Confident147 Ų147101.4 Ų101.469%0.68757%0.568SS**Hα-helixtrans-76.2-30.5178.4-64.8-174.8-26.100113.5Q190 L191 T196Q190-Q193 PolarHBondContact O-N 3.46Å; Q190-Q193 VanDerWaalsContact O-N 3.13Å; L191-Q193 VanDerWaalsContact C-N 3.27Å; L191-Q193 PolarHBondContact O-N 3.24Å; Q193-T196 PolarHBondContact O-OG1 3.36Å
194L70.8Confident69.4Low49 Ų49103.8 Ų103.826%0.25757%0.573SS.*Hα-helixtrans-79.6-30.8178.7-68.7170.2000112.1I145 P147 V186 Q190 L191I145-L194 HydrophobicContact CB-CD2 4.3Å; I145-L194 HydrophobicContact CG2-CD1 4.12Å; I145-L194 HydrophobicContact CG2-CD2 4.15Å; P147-L194 HydrophobicContact CB-CD1 4.29Å; V186-L194 HydrophobicContact CG1-CD1 4.23Å; Q190-L194 WeakPolarHBondContact O-CG 3.42Å; Q190-L194 PolarHBondContact O-N 2.67Å; L191-L194 PolarHBondContact O-N 3.41Å
195Q73.6Confident67.5Low111 Ų111112.4 Ų112.452%0.51960%0.6SS.*Hα-helixtrans-80.1-18.9176.4-71.1-178.7-26.200113.2Y151 L191Y151-Q195 HydrophobicContact CD1-CG 4.21Å; Y151-Q195 HydrophobicContact CE1-CG 4.03Å; L191-Q195 HydrophobicContact CG-CG 4.49Å; L191-Q195 WeakPolarHBondContact O-CB 3.18Å; L191-Q195 WeakPolarHBondContact O-CG 3.1Å; L191-Q195 PolarHBondContact O-N 3.21Å
196T71.9Confident65.3Low86 Ų86115.5 Ų115.553%0.52860%0.603SS.*SBendtrans-64.8126.8172.845.80000109.4A192 Q193A192-T196 WeakPolarHBondContact O-CG2 3.3Å; A192-T196 PolarHBondContact O-N 3.27Å; Q193-T196 PolarHBondContact O-OG1 3.36Å
197P65.7Low63.9Low107 Ų107121 Ų12170%0.69563%0.631SS**  trans-54.814617422.1-31.1000109.2L199P197-L199 PolarHBondContact O-N 3.3Å
198P60.5Low61.9Low123 Ų123126.8 Ų126.880%0.79965%0.65SS**  trans-56.3114.6-174.222.9-32.4000108.4V200P198-V200 PolarHBondContact O-N 2.82Å
199L54.4Low60.1Low156 Ų156131.2 Ų131.282%0.81765%0.652SS**  trans-53.8118.6163.7-78.1169.6000105.2P197 V201P197-L199 PolarHBondContact O-N 3.3Å; L199-V201 VanDerWaalsContact C-N 3.27Å; L199-V201 PolarHBondContact O-N 3.12Å
200V56.6Low58.6Low132 Ų132133.1 Ų133.180%0.866%0.659SS**  trans-53.3102171.9175.70000105.5P198 Q202P198-V200 PolarHBondContact O-N 2.82Å; V200-Q202 PolarHBondContact O-N 3.17Å
201V57.6Low57Low122 Ų122135.7 Ų135.774%0.73968%0.684SS**  trans-67.291174.4177.50000104.4L199 R203L199-V201 VanDerWaalsContact C-N 3.27Å; L199-V201 PolarHBondContact O-N 3.12Å; V201-R203 PolarHBondContact O-N 2.84Å
202Q45.1Very low55.4Low156 Ų156138.8 Ų138.873%0.72971%0.709SS**  trans-57.9100.7160.9-74.6-164.1-6.400104.6V200 K204V200-Q202 PolarHBondContact O-N 3.17Å; Q202-K204 PolarHBondContact O-N 3.21Å
203R49.2Very low53.8Low211 Ų211143.7 Ų143.780%0.79673%0.726SS**  trans-55.987.8167.5-83.7178.6166.1173.6-3.6106.4V201 R205V201-R203 PolarHBondContact O-N 2.84Å; R203-R205 PolarHBondContact O-N 3.46Å
204K43.3Very low52.1Low175 Ų175145.6 Ų145.676%0.76173%0.733SS**  trans-67.584.4160.1-87.7-170.5176.9175.20105.5Q202 K206Q202-K204 PolarHBondContact O-N 3.21Å; K204-K206 PolarHBondContact O-N 2.94Å
205R46.9Very low50.8Low220 Ų220151.6 Ų151.683%0.8376%0.764SS**  trans-58.880.9156.6-77179.4158.6171.2-5.6106.6R203 L207R203-R205 PolarHBondContact O-N 3.46Å; R205-L207 PolarHBondContact O-N 2.88Å
206K41.5Very low49.2Very low182 Ų182151.2 Ų151.279%0.79177%0.774SS**  trans-77.372.5155.3-77.9-139.8177-172.70106.7K204 K208K204-K206 PolarHBondContact O-N 2.94Å; K206-K208 PolarHBondContact O-N 2.92Å
207L55.9Low48.1Very low138 Ų138152.3 Ų152.372%0.72379%0.785SS**  trans-65.882.6157.6-175.973.2000105.9R205 R209R205-L207 PolarHBondContact O-N 2.88Å; L207-R209 VanDerWaalsContact C-N 3.3Å; L207-R209 HydrophobicContact CG-CG 4.49Å; L207-R209 PolarHBondContact O-N 3.06Å
208K40.9Very low47.4Very low190 Ų190156 Ų15683%0.82681%0.814SS**  trans-76.389.6172.5-159.5179.5-174.7-169.60105.8K206K206-K208 PolarHBondContact O-N 2.92Å
209R41.7Very low46.8Very low206 Ų206157.7 Ų157.778%0.77781%0.814SS**  trans-58.3127.2167.7-76-176.3176-173.8-1.6107.4L207 S211L207-R209 VanDerWaalsContact C-N 3.3Å; L207-R209 HydrophobicContact CG-CG 4.49Å; L207-R209 PolarHBondContact O-N 3.06Å; R209-S211 PolarHBondContact O-N 2.85Å
210P44.8Very low46.4Very low111 Ų111157.8 Ų157.872%0.72181%0.814SS**  trans-71.3118.4170.628-29000108.2C212P210-C212 PolarHBondContact O-N 3.39Å; P210-C212 VanDerWaalsContact O-N 3.15Å
211S44.7Very low45.8Very low118 Ų118159.2 Ų159.283%0.82582%0.815SS**  trans-72.594.1163.2-61.50000107.4R209R209-S211 PolarHBondContact O-N 2.85Å
212C43.9Very low45.1Very low119 Ų119161.4 Ų161.480%0.80482%0.819SS**  trans-88.5114.9165.3-73.90000108P210P210-C212 PolarHBondContact O-N 3.39Å; P210-C212 VanDerWaalsContact O-N 3.15Å
213L42.9Very low45.1Very low159 Ų159161.8 Ų161.883%0.83283%0.825SS**  trans-59.5139.9179.1-74.8148.2000111.6
214F41.5Very low44.8Very low187 Ų187158.5 Ų158.582%0.8283%0.827SS**  trans-8.4126.2145.3-80.2-100.7000115.7
215L43.3Very low44.9Very low174 Ų174157.3 Ų157.391%0.91183%0.832SS**  trans-122.695.3144.6-146.679.8000107.3
216S40.2Very low44.8Very low104 Ų104152.5 Ų152.573%0.72783%0.832SS**  trans-86.8120.2157.2-176.60000105.8
217S50.6Low45Very low109 Ų109150 Ų15076%0.76284%0.835SS**  trans-120.4125.9157.4-171.20000106.4
218S50.2Low44.1Very low185 Ų185151.1 Ų151.1100%1.29485%0.845SS**  trans-470174.7-59.40000114

Retrieved 218 of 218 residues in 31.7 ms (Link to these results)