A0A096N594_PAPAN Loading...

C-X-C motif chemokine

AlphaFold DB , UniProt , Accession A0A096N594, Species PAPAN (Papio anubis, Olive baboon), Gene CXCL6, Length 114 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
1M41.5Very low43.1Very low244 Ų244130.6 Ų130.6100%1.20284%0.842SS**  080.40-54.5-66.2174.400107.1
2S43Very low43.4Very low118 Ų118134.6 Ų134.683%0.82585%0.85SS**  trans-84.7135.8174.9-49.80000108.1
3L41.3Very low44.1Very low176 Ų176129.2 Ų129.292%0.92184%0.835SS**  trans-144.899.6156.7-99.8147.7000106.7
4Q48.8Very low44.5Very low177 Ų177125.1 Ų125.183%0.82781%0.809SS**  trans-60.5139.2160.2-76.6165.4-77.100108.4
5S33.1Very low45.6Very low114 Ų114122.1 Ų122.180%0.79779%0.793SS**  trans-128.892.8149.9-161.60000107.9
6S45.2Very low46.6Very low96 Ų96118.1 Ų118.167%0.67178%0.781SS**  trans-59.4127.2164.2-57.90000108.9
7C43.3Very low48Very low122 Ų122115.4 Ų115.482%0.82476%0.764SS**  trans-117.588.4154.6-78.90000107.5
8A45.8Very low49.2Very low99 Ų99113.9 Ų113.982%0.81875%0.747SS**  trans-83.1108.4151.100000106.2
9A41.8Very low50.4Low94 Ų94111.7 Ų111.778%0.77773%0.734SS**  trans-122.985.4167.800000107.7G11A9-G11 PolarHBondContact O-N 3.45Å
10S47.4Very low51.8Low129 Ų129109.2 Ų109.290%0.90272%0.722SS**  trans-74.5105.4158.8-47.80000107
11G43.5Very low53.2Low68 Ų68108.2 Ų108.270%0.70171%0.71SS**SBendtrans154.3105.1169.100000115.8A9A9-G11 PolarHBondContact O-N 3.45Å
12L45.9Very low55Low178 Ų178101.6 Ų101.693%0.93268%0.679SS**  trans6760.5158.8-133.174.8000117.3
13G52.7Low56.7Low64 Ų6498.4 Ų98.466%0.6666%0.66SS**  trans-68.2138.4160.400000110.3S15G13-S15 PolarHBondContact O-N 3.24Å
14P49.3Very low58.5Low73 Ų7394.9 Ų94.947%0.47464%0.642SS.*  trans-54.6131.3171.423.8-30.8000107.9G16 L18P14-G16 PolarHBondContact O-N 3.42Å; P14-L18 HydrophobicContact CB-CB 3.91Å; P14-L18 HydrophobicContact CB-CD1 3.49Å; P14-L18 VanDerWaalsContact CB-CD1 3.49Å; P14-L18 HydrophobicContact CB-CG 4.33Å
15S60.9Low59.9Low80 Ų8091.9 Ų91.956%0.55963%0.63SS**  trans-23.7127.5178.4173.60000111.2G13 S17 L18G13-S15 PolarHBondContact O-N 3.24Å; S15-S17 CarbonylContact O-C 3.46Å; S15-S17 WeakPolarHBondContact O-CA 3.38Å; S15-S17 PolarHBondContact O-N 3.19Å; S15-L18 WeakPolarHBondContact O-CB 3.42Å; S15-L18 PolarHBondContact O-N 3.31Å
16G62.8Low61.9Low58 Ų5892.3 Ų92.360%0.59862%0.623SS**Hα-helixtrans-48.5-22-174.100000114.8P14 C19 A20P14-G16 PolarHBondContact O-N 3.42Å; G16-C19 PolarHBondContact O-N 3.48Å; G16-A20 WeakPolarHBondContact O-CB 3.29Å; G16-A20 PolarHBondContact O-N 3.33Å
17S69.6Low63.2Low72 Ų7294.7 Ų94.750%0.50363%0.628SS.*Hα-helixtrans-53.7-47.6165.3-175.50000114.5S15 A20 L21S15-S17 CarbonylContact O-C 3.46Å; S15-S17 WeakPolarHBondContact O-CA 3.38Å; S15-S17 PolarHBondContact O-N 3.19Å; S17-A20 PolarHBondContact O-N 3.32Å; S17-L21 WeakPolarHBondContact O-CB 3.41Å; S17-L21 WeakPolarHBondContact O-CD1 3.43Å; S17-L21 PolarHBondContact O-N 3.08Å
18L69.7Low64.7Low88 Ų8895 Ų9546%0.46162%0.621SS.*Hα-helixtrans-66.3-39.6178.4-68.5166.9000112.1P14 S15 L21 L22P14-L18 HydrophobicContact CB-CB 3.91Å; P14-L18 HydrophobicContact CB-CD1 3.49Å; P14-L18 VanDerWaalsContact CB-CD1 3.49Å; P14-L18 HydrophobicContact CB-CG 4.33Å; S15-L18 WeakPolarHBondContact O-CB 3.42Å; S15-L18 PolarHBondContact O-N 3.31Å; L18-L21 PolarHBondContact O-N 3.25Å; L18-L22 WeakPolarHBondContact O-CB 3.36Å; L18-L22 WeakPolarHBondContact O-CD1 3.44Å; L18-L22 WeakPolarHBondContact O-CG 3.26Å; L18-L22 PolarHBondContact O-N 3.45Å
19C71.6Confident65.9Low72 Ų7294.7 Ų94.749%0.48661%0.609SS.*Hα-helixtrans-65.9-41.2173-77.30000111.8G16 L22 A23G16-C19 PolarHBondContact O-N 3.48Å; C19-L22 PolarHBondContact O-N 3.17Å; C19-A23 WeakPolarHBondContact O-CB 3.32Å; C19-A23 PolarHBondContact O-N 3.28Å
20A79.3Confident67Low61 Ų6195.5 Ų95.550%0.50461%0.606SS.*Hα-helixtrans-65.3-40.5176.100000112.1G16 S17 A23 L24G16-A20 WeakPolarHBondContact O-CB 3.29Å; G16-A20 PolarHBondContact O-N 3.33Å; S17-A20 PolarHBondContact O-N 3.32Å; A20-A23 PolarHBondContact O-N 3.02Å; A20-L24 WeakPolarHBondContact O-CB 3.41Å; A20-L24 PolarHBondContact O-N 3.05Å
21L80.3Confident67.8Low90 Ų9095.8 Ų95.847%0.47161%0.605SS.*Hα-helixtrans-62.1-46174.3-91.8151.2000112S17 L18 L24 L25S17-L21 WeakPolarHBondContact O-CB 3.41Å; S17-L21 WeakPolarHBondContact O-CD1 3.43Å; S17-L21 PolarHBondContact O-N 3.08Å; L18-L21 PolarHBondContact O-N 3.25Å; L21-L24 PolarHBondContact O-N 3.4Å; L21-L25 WeakPolarHBondContact O-CD1 3.32Å; L21-L25 WeakPolarHBondContact O-CG 3.18Å; L21-L25 PolarHBondContact O-N 2.59Å
22L79.6Confident68.8Low104 Ų10494.9 Ų94.955%0.54560%0.595SS.*Hα-helixtrans-59.9-45.4175.5-83.3159.6000111.6L18 C19 L24 L25 L26L18-L22 WeakPolarHBondContact O-CB 3.36Å; L18-L22 WeakPolarHBondContact O-CD1 3.44Å; L18-L22 WeakPolarHBondContact O-CG 3.26Å; L18-L22 PolarHBondContact O-N 3.45Å; C19-L22 PolarHBondContact O-N 3.17Å; L22-L24 VanDerWaalsContact C-N 3.34Å; L22-L24 PolarHBondContact O-N 3Å; L22-L25 PolarHBondContact O-N 3.36Å; L22-L26 WeakPolarHBondContact O-CD1 3.43Å; L22-L26 PolarHBondContact O-N 3.36Å; L22-L26 VanDerWaalsContact O-N 3.11Å
23A79.5Confident69.7Low52 Ų5291.9 Ų91.943%0.4359%0.587SS.*Hα-helixtrans-63-39.3177.300000112.4C19 A20 L26 L27C19-A23 WeakPolarHBondContact O-CB 3.32Å; C19-A23 PolarHBondContact O-N 3.28Å; A20-A23 PolarHBondContact O-N 3.02Å; A23-L26 PolarHBondContact O-N 2.89Å; A23-L27 WeakPolarHBondContact O-CG 3.24Å; A23-L27 PolarHBondContact O-N 3.16Å
24L78.4Confident70.1Confident102 Ų10297.1 Ų97.153%0.53460%0.598SS.*Hα-helixtrans-66.1-43.5176.3-170.463.5000111.5A20 L21 L22 L26 L27 L28A20-L24 WeakPolarHBondContact O-CB 3.41Å; A20-L24 PolarHBondContact O-N 3.05Å; L21-L24 PolarHBondContact O-N 3.4Å; L22-L24 VanDerWaalsContact C-N 3.34Å; L22-L24 PolarHBondContact O-N 3Å; L24-L26 VanDerWaalsContact C-N 3.31Å; L24-L26 PolarHBondContact O-N 2.97Å; L24-L27 PolarHBondContact O-N 3.06Å; L24-L27 VanDerWaalsContact O-N 3.13Å; L24-L28 HydrophobicContact CD1-CD1 3.95Å; L24-L28 HydrophobicContact CG-CD1 3.84Å; L24-L28 WeakPolarHBondContact O-CD1 2.92Å; L24-L28 PolarHBondContact O-N 3.38Å; L24-L28 VanDerWaalsContact O-N 3.17Å
25L78.4Confident70.8Confident113 Ų11399.2 Ų99.259%0.59261%0.61SS**Hα-helixtrans-59.6-39.9177-78.4154.1000112.4L21 L22 L27 L28 T29L21-L25 WeakPolarHBondContact O-CD1 3.32Å; L21-L25 WeakPolarHBondContact O-CG 3.18Å; L21-L25 PolarHBondContact O-N 2.59Å; L22-L25 PolarHBondContact O-N 3.36Å; L25-L27 VanDerWaalsContact C-N 3.33Å; L25-L27 PolarHBondContact O-N 3.39Å; L25-L28 PolarHBondContact O-N 3.08Å; L25-T29 PolarHBondContact O-N 3.21Å; L25-T29 PolarHBondContact O-OG1 3.47Å
26L74.1Confident71Confident124 Ų124100.6 Ų100.665%0.64962%0.62SS**Hα-helixtrans-64.9-33.2175.6-83.5149000113.1L22 A23 L24 T29L22-L26 WeakPolarHBondContact O-CD1 3.43Å; L22-L26 PolarHBondContact O-N 3.36Å; L22-L26 VanDerWaalsContact O-N 3.11Å; A23-L26 PolarHBondContact O-N 2.89Å; L24-L26 VanDerWaalsContact C-N 3.31Å; L24-L26 PolarHBondContact O-N 2.97Å; L26-T29 PolarHBondContact O-OG1 3.05Å
27L72.6Confident71.1Confident145 Ų145102.2 Ų102.276%0.75963%0.627SS**Hα-helixtrans-74.6-27.6176.8-71.4165.3000112.8A23 L24 L25A23-L27 WeakPolarHBondContact O-CG 3.24Å; A23-L27 PolarHBondContact O-N 3.16Å; L24-L27 PolarHBondContact O-N 3.06Å; L24-L27 VanDerWaalsContact O-N 3.13Å; L25-L27 VanDerWaalsContact C-N 3.33Å; L25-L27 PolarHBondContact O-N 3.39Å
28L75Confident71Confident130 Ų130100.7 Ų100.768%0.68162%0.622SS**Hα-helixtrans-80.7-15.5177.7-85.989.8000113.6L24 L25 P30L24-L28 HydrophobicContact CD1-CD1 3.95Å; L24-L28 HydrophobicContact CG-CD1 3.84Å; L24-L28 WeakPolarHBondContact O-CD1 2.92Å; L24-L28 PolarHBondContact O-N 3.38Å; L24-L28 VanDerWaalsContact O-N 3.17Å; L25-L28 PolarHBondContact O-N 3.08Å; L28-P30 WeakPolarHBondContact O-CD 3.26Å
29T71.3Confident70.7Confident92 Ų92102.3 Ų102.356%0.56464%0.639SS**SBendtrans-88.2105.5173.541.70000110.5L25 L26L25-T29 PolarHBondContact O-N 3.21Å; L25-T29 PolarHBondContact O-OG1 3.47Å; L26-T29 PolarHBondContact O-OG1 3.05Å
30P64.9Low70.2Confident111 Ų111105.7 Ų105.772%0.72166%0.656SS**  trans-61.5140.5172.124.3-31.6000109.2L28 G32L28-P30 WeakPolarHBondContact O-CD 3.26Å; P30-G32 PolarHBondContact O-N 2.98Å
31P63.5Low69.2Low135 Ų135107.3 Ų107.388%0.87766%0.664SS**  trans-66.685.3174.524.8-30.4000109.3
32G66.1Low68.3Low49 Ų49106.9 Ų106.951%0.50567%0.674SS.*  trans-74.8137.7170.800000109.1P30 L34P30-G32 PolarHBondContact O-N 2.98Å; G32-L34 PolarHBondContact O-N 3.09Å
33P64.8Low67.5Low115 Ų115106.7 Ų106.775%0.74768%0.676SS**  trans-58.4126.4169.722.4-28.7000108.2V35P33-V35 PolarHBondContact O-N 2.88Å
34L60.2Low66.5Low173 Ų173112 Ų11291%0.90670%0.697SS**  trans-66.882.2165.9-59.7177.8000106.7G32 S36G32-L34 PolarHBondContact O-N 3.09Å; L34-S36 VanDerWaalsContact C-N 3.3Å; L34-S36 PolarHBondContact O-N 3.12Å
35V64.1Low65.7Low117 Ų117110.5 Ų110.571%0.70969%0.692SS**  trans-65.5102.3166.4166.90000105.1P33 A37P33-V35 PolarHBondContact O-N 2.88Å; V35-A37 PolarHBondContact O-N 3.05Å
36S64.6Low64.9Low110 Ų110110.9 Ų110.977%0.76969%0.691SS**  trans-65.389.7164-171.30000106.4L34 G38L34-S36 VanDerWaalsContact C-N 3.3Å; L34-S36 PolarHBondContact O-N 3.12Å; S36-G38 PolarHBondContact O-N 3.09Å
37A64.8Low65.1Low92 Ų92111.2 Ų111.276%0.7669%0.693SS**  trans-70.770.4158.300000106.5V35V35-A37 PolarHBondContact O-N 3.05Å
38G67.9Low65.7Low39 Ų39112.6 Ų112.640%0.40269%0.688SS.*  trans-56.5143.4166.200000107.9S36 V40S36-G38 PolarHBondContact O-N 3.09Å; G38-V40 PolarHBondContact O-N 3.09Å
39P63.2Low66.5Low123 Ų123108 Ų10880%0.79967%0.666SS**  trans-54.7123.617623.7-31000107.1S41P39-S41 PolarHBondContact O-N 3.19Å
40V61.3Low67.5Low142 Ų142108.6 Ų108.686%0.86167%0.669SS**  trans-63.789.7163.4-1750000103.5G38 A42G38-V40 PolarHBondContact O-N 3.09Å; V40-A42 PolarHBondContact O-N 2.79Å
41S58.8Low68.9Low95 Ų95103.8 Ų103.866%0.66464%0.638SS**  trans-65.593.7173.6-1560000103.6P39 V43P39-S41 PolarHBondContact O-N 3.19Å; S41-V43 PolarHBondContact O-N 3.24Å
42A61.8Low70.3Confident82 Ų82103.9 Ų103.968%0.67863%0.631SS**  trans-60.988.6160.900000103.3V40 L44V40-A42 PolarHBondContact O-N 2.79Å; A42-L44 PolarHBondContact O-N 2.92Å
43V61.7Low71.6Confident99 Ų99109.2 Ų109.260%0.664%0.642SS**  trans-57.3104.3174.1-178.40000103.2S41 T45S41-V43 PolarHBondContact O-N 3.24Å; V43-T45 HydrophobicContact CG1-CG2 3.81Å; V43-T45 PolarHBondContact O-N 3.27Å; V43-T45 PolarHBondContact O-OG1 3.32Å
44L59.7Low73Confident165 Ų165108.1 Ų108.186%0.86463%0.626SS**  trans-68.166.6164.2-79.6159.5000105.4A42 E46A42-L44 PolarHBondContact O-N 2.92Å; L44-E46 PolarHBondContact O-N 3.06Å; L44-E46 VanDerWaalsContact O-N 3.13Å
45T60.7Low74.6Confident70 Ų70102 Ų10243%0.42960%0.596SS.*  trans-56.8119159.920.10000103.6V43 L47 Q74V43-T45 HydrophobicContact CG1-CG2 3.81Å; V43-T45 PolarHBondContact O-N 3.27Å; V43-T45 PolarHBondContact O-OG1 3.32Å; T45-L47 PolarHBondContact O-N 2.84Å; T45-Q74 PolarHBondContact O-NE2 3.49Å; T45-Q74 PolarHBondContact O-OE1 3.16Å; T45-Q74 VanDerWaalsContact O-OE1 3.12Å; T45-Q74 PolarHBondContact OG1-NE2 2.04Å; T45-Q74 PolarHBondContact OG1-OE1 2.95Å; T45-Q74 VanDerWaalsContact OG1-OE1 3.14Å
46E60.7Low75.8Confident121 Ų121101.8 Ų101.857%0.56560%0.597SS**  trans-43.4135.3177.8-63.2-178.2154.400108.3L44 R48 Q74L44-E46 PolarHBondContact O-N 3.06Å; L44-E46 VanDerWaalsContact O-N 3.13Å; E46-R48 HydrophobicContact CB-CG 4.08Å; E46-R48 PolarHBondContact O-N 2.8Å; E46-R48 IonicContact OE1-NH1 2.67Å; E46-R48 WeakPolarHBondContact OE2-CD 3.4Å; E46-R48 IonicContact OE2-CZ 3.8Å; E46-R48 IonicContact OE2-NE 3.41Å; E46-R48 PolarHBondContact OE2-NE 2.82Å; E46-R48 IonicContact OE2-NH1 3.19Å; E46-R48 PolarHBondContact OE2-NH1 2.93Å; E46-Q74 PolarHBondContact O-OE1 3.44Å
47L78.4Confident77Confident131 Ų131106 Ų10669%0.68660%0.596SS**SBendtrans-70.746.8-174-52.7162.4000111.8T45 P73 Q74T45-L47 PolarHBondContact O-N 2.84Å; L47-P73 WeakPolarHBondContact CD2-O 3.43Å; L47-Q74 CarbonylContact C-O 3.35Å; L47-Q74 WeakPolarHBondContact CA-O 3.45Å
48R86.9Confident78.2Confident174 Ų174102.3 Ų102.366%0.65756%0.564SS**  trans-105.3133.1-173.9-68.5-176.2172.2165.1-4.9108.8E46 Q74E46-R48 HydrophobicContact CB-CG 4.08Å; E46-R48 PolarHBondContact O-N 2.8Å; E46-R48 IonicContact OE1-NH1 2.67Å; E46-R48 WeakPolarHBondContact OE2-CD 3.4Å; E46-R48 IonicContact OE2-CZ 3.8Å; E46-R48 IonicContact OE2-NE 3.41Å; E46-R48 PolarHBondContact OE2-NE 2.82Å; E46-R48 IonicContact OE2-NH1 3.19Å; E46-R48 PolarHBondContact OE2-NH1 2.93Å; R48-Q74 CarbonylContact C-O 3.6Å; R48-Q74 PolarHBondContact N-O 3.37Å
49C91.7Very high79.3Confident33 Ų33104.4 Ų104.422%0.22357%0.566CS.*  trans-65.7143171-59.10000110.3C51 C75 E79C49-C51 VanDerWaalsContact C-N 3.25Å; C49-C51 PolarHBondContact O-N 2.8Å; C49-C75 HydrophobicContact CB-CB 3.93Å; C49-C75 WeakPolarHBondContact CB-SG 3.11Å; C49-C75 WeakPolarHBondContact SG-CB 3.41Å; C49-C75 CovalentContact SG-SG 2.04Å; C49-C75 PolarHBondContact SG-SG 3.46Å; C49-E79 VanDerWaalsContact CB-OE1 3.32Å; C49-E79 WeakPolarHBondContact CB-OE1 3.26Å
50T92.5Very high80.6Confident104 Ų10499.9 Ų99.964%0.63854%0.536SS*.SBendtrans-65.7-35176.2-49.80000110.8E79 I81T50-E79 WeakPolarHBondContact CB-OE2 3Å; T50-E79 PolarHBondContact N-OE1 3.38Å; T50-E79 PolarHBondContact N-OE2 2.66Å; T50-E79 VanDerWaalsContact N-OE2 3.14Å; T50-E79 PolarHBondContact OG1-OE2 3.33Å; T50-I81 HydrophobicContact CG2-CD1 4Å
51C94.1Very high82Confident10 Ų10101 Ų1017%0.06853%0.53CS..  trans-94.8108.6-177.2-66.40000111.3C49 F54 E79 C91C49-C51 VanDerWaalsContact C-N 3.25Å; C49-C51 PolarHBondContact O-N 2.8Å; C51-F54 HydrophobicContact CB-CE1 4.16Å; C51-F54 HydrophobicContact CB-CZ 4.36Å; C51-E79 VanDerWaalsContact CB-OE1 3.26Å; C51-E79 WeakPolarHBondContact CB-OE1 3.32Å; C51-E79 PolarHBondContact N-OE1 3.17Å; C51-C91 WeakPolarHBondContact CA-SG 3.48Å; C51-C91 HydrophobicContact CB-CB 3.62Å; C51-C91 WeakPolarHBondContact CB-SG 3.46Å; C51-C91 WeakPolarHBondContact SG-CB 3.47Å; C51-C91 CovalentContact SG-SG 2.03Å; C51-C91 PolarHBondContact SG-SG 2.84Å
52L92.5Very high83.6Confident138 Ų138100.6 Ų100.672%0.72352%0.518SS*.SBendtrans-95.2-24.8170.2-57.2179.6000112.5
53H93Very high85.1Confident160 Ų16097.3 Ų97.374%0.74149%0.489SS*.SBendtrans-135.1140.3-177.8-61.5-64.3000111C91H53-C91 VanDerWaalsContact O-CB 3.28Å; H53-C91 WeakPolarHBondContact O-CB 3.28Å
54F94.3Very high86.6Confident92 Ų9295.1 Ų95.140%0.40449%0.487SS..  trans-107.3141.7-179.6-62.9-78.8000111.6C51 C91 L92 D93C51-F54 HydrophobicContact CB-CE1 4.16Å; C51-F54 HydrophobicContact CB-CZ 4.36Å; F54-C91 HydrophobicContact CD1-CB 4.17Å; F54-L92 VanDerWaalsContact CD1-C 3.47Å; F54-D93 HydrophobicContact CB-CB 4.07Å; F54-D93 HydrophobicContact CD1-CB 3.94Å; F54-D93 HydrophobicContact CG-CB 3.97Å
55T93.6Very high88.1Confident46 Ų4692.9 Ų92.928%0.28247%0.47SS..  trans-87.4119.8173.7-57.70000109R57 C91T55-R57 VanDerWaalsContact C-N 3.3Å; T55-R57 WeakPolarHBondContact CG2-O 3.49Å; T55-R57 PolarHBondContact O-N 2.82Å; T55-C91 PolarHBondContact N-O 2.75Å
56P88.9Confident89.6Confident111 Ų11192 Ų9272%0.72146%0.463SS*.SBendtrans-72.9-19.9-171.227.6-35.6000113.9F98P56-F98 VanDerWaalsContact O-CD1 3.26Å; P56-F98 WeakPolarHBondContact O-CD1 3.41Å; P56-F98 WeakPolarHBondContact O-CE1 3.43Å; P56-F98 VanDerWaalsContact O-CZ 3.24Å; P56-F98 WeakPolarHBondContact O-CZ 3.43Å
57R89.8Confident91.2Very high200 Ų20089 Ų8976%0.75545%0.448SS*.  trans-154.4141.4176.6-172.8169.7-77.7-135.91.2110.9T55T55-R57 VanDerWaalsContact C-N 3.3Å; T55-R57 WeakPolarHBondContact CG2-O 3.49Å; T55-R57 PolarHBondContact O-N 2.82Å
58V90.3Very high92Very high14 Ų1487 Ų879%0.08544%0.441CS..  trans-138.3142.9174.667.30000109P60 I63 L84 L92 F98V58-P60 WeakPolarHBondContact O-CD 3.45Å; V58-I63 HydrophobicContact CG1-CD1 3.59Å; V58-I63 HydrophobicContact CG1-CG1 4.37Å; V58-I63 HydrophobicContact CG2-CD1 4.1Å; V58-I63 HydrophobicContact CG2-CG1 3.96Å; V58-L84 HydrophobicContact CG2-CD2 3.61Å; V58-L92 HydrophobicContact CB-CD2 4.18Å; V58-L92 HydrophobicContact CG1-CD1 4.02Å; V58-L92 HydrophobicContact CG1-CD2 3.8Å; V58-F98 HydrophobicContact CG1-CE2 4.32Å
59N91.2Very high92.3Very high82 Ų8282.8 Ų82.844%0.43943%0.428SS..  trans-77.2119.8173.8-174-20.8000109.1K61 M62N59-K61 PolarHBondContact O-N 2.91Å; N59-K61 VanDerWaalsContact O-N 3.09Å; N59-K61 PolarHBondContact OD1-N 2.83Å; N59-K61 VanDerWaalsContact OD1-N 3.09Å; N59-M62 HydrophobicContact CB-CG 4.1Å; N59-M62 HydrophobicContact CB-SD 4.03Å; N59-M62 WeakPolarHBondContact O-CB 3.42Å; N59-M62 PolarHBondContact O-N 2.86Å
60P90.8Very high92.4Very high28 Ų2886.1 Ų86.118%0.18245%0.449CS..G310 helixtrans-53.7-33.3-179.9-27.335.7000113.7V58 M62 I63 K105 I106V58-P60 WeakPolarHBondContact O-CD 3.45Å; P60-M62 PolarHBondContact O-N 2.84Å; P60-I63 PolarHBondContact O-N 2.81Å; P60-K105 HydrophobicContact CB-CB 4.29Å; P60-K105 HydrophobicContact CG-CD 4.32Å; P60-I106 HydrophobicContact CB-CD1 4.47Å; P60-I106 HydrophobicContact CB-CG1 3.98Å
61K90.5Very high92.5Very high166 Ų16685.5 Ų85.572%0.72245%0.445SS*.G310 helixtrans-65.8-23179.8-64.1-175.1178.3-176.70113.5N59 K85N59-K61 PolarHBondContact O-N 2.91Å; N59-K61 VanDerWaalsContact O-N 3.09Å; N59-K61 PolarHBondContact OD1-N 2.83Å; N59-K61 VanDerWaalsContact OD1-N 3.09Å; K61-K85 VanDerWaalsContact O-CE 3.32Å; K61-K85 WeakPolarHBondContact O-CE 3.45Å; K61-K85 PolarHBondContact O-NZ 3.14Å
62M92.4Very high92.3Very high86 Ų8686.6 Ų86.642%0.42446%0.458SS..G310 helixtrans-89.6-14.9179.8-65.117965.900112.6N59 P60 G64 L84 K85N59-M62 HydrophobicContact CB-CG 4.1Å; N59-M62 HydrophobicContact CB-SD 4.03Å; N59-M62 WeakPolarHBondContact O-CB 3.42Å; N59-M62 PolarHBondContact O-N 2.86Å; P60-M62 PolarHBondContact O-N 2.84Å; M62-G64 PolarHBondContact O-N 2.91Å; M62-L84 HydrophobicContact CB-CD2 4.47Å; M62-L84 CarbonylContact O-C 3.49Å; M62-L84 VanDerWaalsContact O-CA 3.28Å; M62-L84 WeakPolarHBondContact O-CA 3.48Å; M62-K85 WeakPolarHBondContact O-CG 2.92Å; M62-K85 PolarHBondContact O-N 3.12Å
63I93.1Very high92.1Very high13 Ų1385.6 Ų85.67%0.06746%0.46CS..EExtended strand (participates in β ladder)trans-72.4127.7176.5-64.7171.4000108.1V58 P60 A82 L84 L92 I106V58-I63 HydrophobicContact CG1-CD1 3.59Å; V58-I63 HydrophobicContact CG1-CG1 4.37Å; V58-I63 HydrophobicContact CG2-CD1 4.1Å; V58-I63 HydrophobicContact CG2-CG1 3.96Å; P60-I63 PolarHBondContact O-N 2.81Å; I63-A82 HydrophobicContact CD1-CB 4.35Å; I63-A82 HydrophobicContact CG1-CB 4.28Å; I63-A82 HydrophobicContact CG2-CB 4.33Å; I63-L84 HydrophobicContact CG1-CD2 3.92Å; I63-L92 HydrophobicContact CD1-CD1 4.46Å; I63-I106 HydrophobicContact CB-CD1 3.89Å; I63-I106 HydrophobicContact CD1-CD1 3.55Å; I63-I106 HydrophobicContact CG1-CD1 4.28Å; I63-I106 HydrophobicContact CG2-CD1 3.93Å
64G92.5Very high91.7Very high53 Ų5381.2 Ų81.255%0.54644%0.44SS..EExtended strand (participates in β ladder)trans-97.8-49.4173.300000111.6M62 S83M62-G64 PolarHBondContact O-N 2.91Å; G64-S83 WeakPolarHBondContact CA-O 3.49Å; G64-S83 PolarHBondContact N-O 3.14Å
65K92.1Very high91.5Very high119 Ų11977.3 Ų77.352%0.51742%0.423SS..EExtended strand (participates in β ladder)trans-132.6141.1179.3-170.9-176.5-178-167.10109.9Q67 A82 S83K65-Q67 HydrophobicContact CD-CG 4.19Å; K65-Q67 HydrophobicContact CG-CG 4.29Å; K65-Q67 VanDerWaalsContact NZ-OE1 3.1Å; K65-A82 CarbonylContact O-C 3.45Å; K65-A82 WeakPolarHBondContact O-CA 3.46Å; K65-S83 PolarHBondContact N-O 3.46Å; K65-S83 PolarHBondContact O-N 2.7Å
66L93Very high91.4Very high52 Ų5279.8 Ų79.827%0.27244%0.443SS..EExtended strand (participates in β ladder)trans-117.3132.7171.7-16871000108.9V80 A82 L92 I103L66-V80 HydrophobicContact CD1-CG1 3.64Å; L66-V80 HydrophobicContact CG-CG1 4.18Å; L66-A82 HydrophobicContact CD1-CB 3.89Å; L66-L92 HydrophobicContact CD1-CD1 4.21Å; L66-I103 HydrophobicContact CD2-CD1 3.89Å; L66-I103 HydrophobicContact CD2-CG1 3.65Å
67Q94.3Very high91.5Very high57 Ų5781 Ų8127%0.26644%0.437SS..EExtended strand (participates in β ladder)trans-124.5132.2177.6-64.4179109.100108.4K65 F69 V80 I81K65-Q67 HydrophobicContact CD-CG 4.19Å; K65-Q67 HydrophobicContact CG-CG 4.29Å; K65-Q67 VanDerWaalsContact NZ-OE1 3.1Å; Q67-F69 HydrophobicContact CB-CE2 3.75Å; Q67-F69 HydrophobicContact CB-CZ 4.14Å; Q67-V80 WeakPolarHBondContact O-CA 3.28Å; Q67-I81 PolarHBondContact N-O 2.97Å; Q67-I81 PolarHBondContact O-N 3.15Å
68V94.2Very high91.7Very high89 Ų8974.2 Ų74.254%0.53942%0.417SS..EExtended strand (participates in β ladder)trans-118.9121.3179.4-177.90000106.9V78 E79 V80V68-V78 HydrophobicContact CG1-CG1 4.15Å; V68-E79 WeakPolarHBondContact CA-O 3.14Å; V68-V80 HydrophobicContact CG1-CG2 4.39Å; V68-V80 HydrophobicContact CG2-CG1 4.39Å; V68-V80 HydrophobicContact CG2-CG2 4.37Å
69F94.1Very high91.9Very high86 Ų8674.2 Ų74.238%0.37742%0.416SS..EExtended strand (participates in β ladder)trans-105.6117.3177.1-61.8-87.3000107.7Q67 V78 E79 I81Q67-F69 HydrophobicContact CB-CE2 3.75Å; Q67-F69 HydrophobicContact CB-CZ 4.14Å; F69-V78 WeakPolarHBondContact O-CA 3.32Å; F69-V78 WeakPolarHBondContact O-CG1 3.05Å; F69-E79 HydrophobicContact CB-CB 4.18Å; F69-E79 HydrophobicContact CD2-CB 4.45Å; F69-E79 PolarHBondContact N-O 3.26Å; F69-E79 PolarHBondContact O-N 2.03Å; F69-I81 HydrophobicContact CD2-CD1 4.12Å; F69-I81 HydrophobicContact CD2-CG1 4.22Å; F69-I81 HydrophobicContact CE2-CB 4.28Å; F69-I81 HydrophobicContact CE2-CD1 3.72Å; F69-I81 HydrophobicContact CE2-CG1 4.02Å
70P93.8Very high92.1Very high103 Ų10370.7 Ų70.767%0.66940%0.398SS*.  trans-70.2169.1177.131.9-35.4000110.7G72P70-G72 PolarHBondContact O-N 3.26Å
71V93.6Very high92.4Very high91 Ų9170 Ų7055%0.55239%0.392SS*.SBendtrans-55.5132.8170178.30000109.4V78V71-V78 HydrophobicContact CG2-CG2 3.89Å
72G90.2Very high92.6Very high33 Ų3362 Ų6234%0.3436%0.358SS..BIsolated β-bridgetrans-151.7-178.8-177.900000112.5P70 Q74 C75P70-G72 PolarHBondContact O-N 3.26Å; G72-Q74 PolarHBondContact O-N 3.23Å; G72-C75 PolarHBondContact N-O 2.73Å; G72-C75 CarbonylContact O-C 2.94Å; G72-C75 PolarHBondContact O-N 3.37Å
73P87.9Confident92.8Very high116 Ų11659.1 Ų59.175%0.75335%0.346SS*.THydrogen-bonded Turntrans-59.1-34178.122.8-31.9000111.4L47L47-P73 WeakPolarHBondContact CD2-O 3.43Å
74Q85.9Confident92.9Very high69 Ų6959.4 Ų59.432%0.32235%0.347SS..THydrogen-bonded Turntrans-73.6-30.1-178.8-68.5-60.8-45.500114.5T45 E46 L47 R48 G72T45-Q74 PolarHBondContact O-NE2 3.49Å; T45-Q74 PolarHBondContact O-OE1 3.16Å; T45-Q74 VanDerWaalsContact O-OE1 3.12Å; T45-Q74 PolarHBondContact OG1-NE2 2.04Å; T45-Q74 PolarHBondContact OG1-OE1 2.95Å; T45-Q74 VanDerWaalsContact OG1-OE1 3.14Å; E46-Q74 PolarHBondContact O-OE1 3.44Å; L47-Q74 CarbonylContact C-O 3.35Å; L47-Q74 WeakPolarHBondContact CA-O 3.45Å; R48-Q74 CarbonylContact C-O 3.6Å; R48-Q74 PolarHBondContact N-O 3.37Å; G72-Q74 PolarHBondContact O-N 3.23Å
75C89.9Confident93Very high9 Ų964.3 Ų64.36%0.06135%0.353CS..BIsolated β-bridgetrans-152.9128.5-178.9177.30000109.7C49 G72 K77C49-C75 HydrophobicContact CB-CB 3.93Å; C49-C75 WeakPolarHBondContact CB-SG 3.11Å; C49-C75 WeakPolarHBondContact SG-CB 3.41Å; C49-C75 CovalentContact SG-SG 2.04Å; C49-C75 PolarHBondContact SG-SG 3.46Å; G72-C75 PolarHBondContact N-O 2.73Å; G72-C75 CarbonylContact O-C 2.94Å; G72-C75 PolarHBondContact O-N 3.37Å; C75-K77 PolarHBondContact O-N 2.9Å; C75-K77 PolarHBondContact SG-N 3.18Å; C75-K77 PolarHBondContact SG-O 3.14Å; C75-K77 VanDerWaalsContact SG-O 3.37Å
76S91.2Very high93.1Very high98 Ų9863.8 Ų63.869%0.68536%0.356SS*.SBendtrans-76.2-1.3179.857.30000114
77K91.6Very high93.2Very high137 Ų13764.2 Ų64.260%0.59637%0.374SS*.SBendtrans-117.4153.3-178.6-60.2-177.1-178.7-175.90110.3C75C75-K77 PolarHBondContact O-N 2.9Å; C75-K77 PolarHBondContact SG-N 3.18Å; C75-K77 PolarHBondContact SG-O 3.14Å; C75-K77 VanDerWaalsContact SG-O 3.37Å
78V93.8Very high93.2Very high57 Ų5767.7 Ų67.735%0.34539%0.388SS..  trans-71.7132.8168.5177.50000108.4V68 F69 V71 P94V68-V78 HydrophobicContact CG1-CG1 4.15Å; F69-V78 WeakPolarHBondContact O-CA 3.32Å; F69-V78 WeakPolarHBondContact O-CG1 3.05Å; V71-V78 HydrophobicContact CG2-CG2 3.89Å; V78-P94 HydrophobicContact CB-CG 4.48Å; V78-P94 HydrophobicContact CG1-CB 4.37Å
79E95Very high93.3Very high15 Ų1569.6 Ų69.67%0.0739%0.391CS..EExtended strand (participates in β ladder)trans-112.8136.7175.3-48.5-164.599.600110.3C49 T50 C51 V68 F69C49-E79 VanDerWaalsContact CB-OE1 3.32Å; C49-E79 WeakPolarHBondContact CB-OE1 3.26Å; T50-E79 WeakPolarHBondContact CB-OE2 3Å; T50-E79 PolarHBondContact N-OE1 3.38Å; T50-E79 PolarHBondContact N-OE2 2.66Å; T50-E79 VanDerWaalsContact N-OE2 3.14Å; T50-E79 PolarHBondContact OG1-OE2 3.33Å; C51-E79 VanDerWaalsContact CB-OE1 3.26Å; C51-E79 WeakPolarHBondContact CB-OE1 3.32Å; C51-E79 PolarHBondContact N-OE1 3.17Å; V68-E79 WeakPolarHBondContact CA-O 3.14Å; F69-E79 HydrophobicContact CB-CB 4.18Å; F69-E79 HydrophobicContact CD2-CB 4.45Å; F69-E79 PolarHBondContact N-O 3.26Å; F69-E79 PolarHBondContact O-N 2.03Å
80V95.3Very high93.4Very high7 Ų766 Ų664%0.04238%0.376CS..EExtended strand (participates in β ladder)trans-121.1114.3174.2-176.30000108.5L66 Q67 V68 C91 L92 P94 L99L66-V80 HydrophobicContact CD1-CG1 3.64Å; L66-V80 HydrophobicContact CG-CG1 4.18Å; Q67-V80 WeakPolarHBondContact O-CA 3.28Å; V68-V80 HydrophobicContact CG1-CG2 4.39Å; V68-V80 HydrophobicContact CG2-CG1 4.39Å; V68-V80 HydrophobicContact CG2-CG2 4.37Å; V80-C91 WeakPolarHBondContact O-CA 3.15Å; V80-L92 HydrophobicContact CB-CB 4.36Å; V80-L92 HydrophobicContact CG1-CB 4.28Å; V80-L92 PolarHBondContact O-N 2.74Å; V80-P94 HydrophobicContact CG2-CB 4.22Å; V80-L99 HydrophobicContact CB-CD2 4.29Å; V80-L99 HydrophobicContact CG1-CD2 4.21Å; V80-L99 HydrophobicContact CG2-CD2 4.2Å
81I95.9Very high93.5Very high13 Ų1362.1 Ų62.17%0.06735%0.351CS..EExtended strand (participates in β ladder)trans-113.1120.7-178.5-53.9-176.5000108.9T50 Q67 F69 Q89T50-I81 HydrophobicContact CG2-CD1 4Å; Q67-I81 PolarHBondContact N-O 2.97Å; Q67-I81 PolarHBondContact O-N 3.15Å; F69-I81 HydrophobicContact CD2-CD1 4.12Å; F69-I81 HydrophobicContact CD2-CG1 4.22Å; F69-I81 HydrophobicContact CE2-CB 4.28Å; F69-I81 HydrophobicContact CE2-CD1 3.72Å; F69-I81 HydrophobicContact CE2-CG1 4.02Å; I81-Q89 HydrophobicContact CG2-CB 4.4Å
82A95.6Very high93.6Very high0 Ų057.8 Ų57.80%033%0.325CS..EExtended strand (participates in β ladder)trans-102.1126.9173.800000110.6I63 K65 L66 Q89 V90 L92I63-A82 HydrophobicContact CD1-CB 4.35Å; I63-A82 HydrophobicContact CG1-CB 4.28Å; I63-A82 HydrophobicContact CG2-CB 4.33Å; K65-A82 CarbonylContact O-C 3.45Å; K65-A82 WeakPolarHBondContact O-CA 3.46Å; L66-A82 HydrophobicContact CD1-CB 3.89Å; A82-Q89 WeakPolarHBondContact O-CA 3.42Å; A82-V90 HydrophobicContact CB-CG2 3.98Å; A82-V90 PolarHBondContact N-O 2.78Å; A82-V90 PolarHBondContact O-N 3.41Å; A82-L92 HydrophobicContact CB-CD1 3.7Å; A82-L92 HydrophobicContact CB-CG 4.3Å
83S96.1Very high93.8Very high24 Ų2458.7 Ų58.717%0.16832%0.322CS..EExtended strand (participates in β ladder)trans-91.3116.3166.1-49.50000108.5G64 K65G64-S83 WeakPolarHBondContact CA-O 3.49Å; G64-S83 PolarHBondContact N-O 3.14Å; K65-S83 PolarHBondContact N-O 3.46Å; K65-S83 PolarHBondContact O-N 2.7Å
84L95.1Very high93.9Very high20 Ų2055 Ų5511%0.10530%0.298CS..EExtended strand (participates in β ladder)trans-78.3157176.8-57.6-175.2000110.4V58 M62 I63 N86 G87 K88 V90V58-L84 HydrophobicContact CG2-CD2 3.61Å; M62-L84 HydrophobicContact CB-CD2 4.47Å; M62-L84 CarbonylContact O-C 3.49Å; M62-L84 VanDerWaalsContact O-CA 3.28Å; M62-L84 WeakPolarHBondContact O-CA 3.48Å; I63-L84 HydrophobicContact CG1-CD2 3.92Å; L84-N86 WeakPolarHBondContact CB-OD1 2.98Å; L84-N86 PolarHBondContact O-N 3.02Å; L84-N86 VanDerWaalsContact O-N 3.14Å; L84-G87 PolarHBondContact O-N 3.3Å; L84-K88 WeakPolarHBondContact CB-O 3.33Å; L84-K88 HydrophobicContact CD1-CB 4.33Å; L84-K88 PolarHBondContact N-O 2.67Å; L84-V90 HydrophobicContact CD1-CG1 4.26Å; L84-V90 HydrophobicContact CD2-CG2 4.27Å; L84-V90 HydrophobicContact CG-CG2 4.31Å
85K95.1Very high94.1Very high155 Ų15560 Ų6067%0.67432%0.321SS*.THydrogen-bonded Turntrans-61.4-20.9178.4-71.6175.7178.6171.70113.9K61 M62 G87K61-K85 VanDerWaalsContact O-CE 3.32Å; K61-K85 WeakPolarHBondContact O-CE 3.45Å; K61-K85 PolarHBondContact O-NZ 3.14Å; M62-K85 WeakPolarHBondContact O-CG 2.92Å; M62-K85 PolarHBondContact O-N 3.12Å; K85-G87 PolarHBondContact O-N 2.75Å
86N94.1Very high94.1Very high108 Ų10860 Ų6058%0.57832%0.323SS*.THydrogen-bonded Turntrans-83.97.8173.668-7.1000113.1L84 K88L84-N86 WeakPolarHBondContact CB-OD1 2.98Å; L84-N86 PolarHBondContact O-N 3.02Å; L84-N86 VanDerWaalsContact O-N 3.14Å; N86-K88 VanDerWaalsContact C-N 3.28Å; N86-K88 PolarHBondContact O-N 3.13Å; N86-K88 VanDerWaalsContact OD1-CB 3.32Å; N86-K88 WeakPolarHBondContact OD1-CB 3.38Å; N86-K88 PolarHBondContact OD1-N 3.12Å; N86-K88 VanDerWaalsContact OD1-N 3.12Å
87G94.4Very high94Very high62 Ų6260.3 Ų60.364%0.63932%0.322SS*.SBendtrans84.1-9.2-179.600000114.8L84 K85L84-G87 PolarHBondContact O-N 3.3Å; K85-G87 PolarHBondContact O-N 2.75Å
88K95.3Very high93.8Very high129 Ų12955.5 Ų55.556%0.56130%0.301SS*.  trans-72.1137.1179-173.8176.2-179.9177.90111L84 N86 V90L84-K88 WeakPolarHBondContact CB-O 3.33Å; L84-K88 HydrophobicContact CD1-CB 4.33Å; L84-K88 PolarHBondContact N-O 2.67Å; N86-K88 VanDerWaalsContact C-N 3.28Å; N86-K88 PolarHBondContact O-N 3.13Å; N86-K88 VanDerWaalsContact OD1-CB 3.32Å; N86-K88 WeakPolarHBondContact OD1-CB 3.38Å; N86-K88 PolarHBondContact OD1-N 3.12Å; N86-K88 VanDerWaalsContact OD1-N 3.12Å; K88-V90 HydrophobicContact CD-CG1 4.27Å; K88-V90 HydrophobicContact CG-CG1 4.23Å
89Q95.8Very high93.7Very high129 Ų12953.1 Ų53.160%0.60329%0.286SS*.EExtended strand (participates in β ladder)trans-97.7137.8169.8-62.5-173.6-0.200110.4I81 A82I81-Q89 HydrophobicContact CG2-CB 4.4Å; A82-Q89 WeakPolarHBondContact O-CA 3.42Å
90V95.9Very high93.4Very high12 Ų1259.6 Ų59.67%0.07331%0.314CS..EExtended strand (participates in β ladder)trans-136.2139177.4-63.20000110.4A82 L84 K88 L92A82-V90 HydrophobicContact CB-CG2 3.98Å; A82-V90 PolarHBondContact N-O 2.78Å; A82-V90 PolarHBondContact O-N 3.41Å; L84-V90 HydrophobicContact CD1-CG1 4.26Å; L84-V90 HydrophobicContact CD2-CG2 4.27Å; L84-V90 HydrophobicContact CG-CG2 4.31Å; K88-V90 HydrophobicContact CD-CG1 4.27Å; K88-V90 HydrophobicContact CG-CG1 4.23Å; V90-L92 HydrophobicContact CG2-CD2 4.34Å
91C96.4Very high93.1Very high20 Ų2066.4 Ų66.414%0.13534%0.343CS..EExtended strand (participates in β ladder)trans-83.4135.2170.7-68.20000110C51 H53 F54 T55 V80C51-C91 WeakPolarHBondContact CA-SG 3.48Å; C51-C91 HydrophobicContact CB-CB 3.62Å; C51-C91 WeakPolarHBondContact CB-SG 3.46Å; C51-C91 WeakPolarHBondContact SG-CB 3.47Å; C51-C91 CovalentContact SG-SG 2.03Å; C51-C91 PolarHBondContact SG-SG 2.84Å; H53-C91 VanDerWaalsContact O-CB 3.28Å; H53-C91 WeakPolarHBondContact O-CB 3.28Å; F54-C91 HydrophobicContact CD1-CB 4.17Å; T55-C91 PolarHBondContact N-O 2.75Å; V80-C91 WeakPolarHBondContact O-CA 3.15Å
92L95.3Very high92.7Very high0 Ų066.3 Ų66.30%034%0.344CS..EExtended strand (participates in β ladder)trans-115.9140.4177.3-58.7175.5000108.9F54 V58 I63 L66 V80 A82 V90 P94 F98 L99F54-L92 VanDerWaalsContact CD1-C 3.47Å; V58-L92 HydrophobicContact CB-CD2 4.18Å; V58-L92 HydrophobicContact CG1-CD1 4.02Å; V58-L92 HydrophobicContact CG1-CD2 3.8Å; I63-L92 HydrophobicContact CD1-CD1 4.46Å; L66-L92 HydrophobicContact CD1-CD1 4.21Å; V80-L92 HydrophobicContact CB-CB 4.36Å; V80-L92 HydrophobicContact CG1-CB 4.28Å; V80-L92 PolarHBondContact O-N 2.74Å; A82-L92 HydrophobicContact CB-CD1 3.7Å; A82-L92 HydrophobicContact CB-CG 4.3Å; V90-L92 HydrophobicContact CG2-CD2 4.34Å; L92-P94 WeakPolarHBondContact O-CD 3.01Å; L92-F98 HydrophobicContact CD2-CE2 4.47Å; L92-F98 HydrophobicContact CD2-CZ 4.35Å; L92-L99 HydrophobicContact CB-CD1 3.81Å; L92-L99 HydrophobicContact CB-CD2 4.12Å; L92-L99 HydrophobicContact CD1-CD1 3.48Å; L92-L99 VanDerWaalsContact CD1-CD1 3.48Å; L92-L99 HydrophobicContact CG-CD1 4.23Å
93D93.6Very high92.3Very high52 Ų5268.6 Ų68.628%0.27836%0.355SS..  trans-76.9118.4-178.5176.22.3000110F54 E95 A96 L99F54-D93 HydrophobicContact CB-CB 4.07Å; F54-D93 HydrophobicContact CD1-CB 3.94Å; F54-D93 HydrophobicContact CG-CB 3.97Å; D93-E95 PolarHBondContact O-N 3.03Å; D93-E95 PolarHBondContact OD1-N 2.73Å; D93-A96 HydrophobicContact CB-CB 3.87Å; D93-A96 WeakPolarHBondContact O-CB 3.41Å; D93-A96 PolarHBondContact O-N 2.84Å; D93-A96 VanDerWaalsContact O-N 3.16Å; D93-L99 WeakPolarHBondContact O-CD2 3.38Å
94P91.6Very high92.1Very high40 Ų4073.3 Ų73.326%0.2638%0.375SS..THydrogen-bonded Turntrans-61.7-25.8179.727-36000113.5V78 V80 L92V78-P94 HydrophobicContact CB-CG 4.48Å; V78-P94 HydrophobicContact CG1-CB 4.37Å; V80-P94 HydrophobicContact CG2-CB 4.22Å; L92-P94 WeakPolarHBondContact O-CD 3.01Å
95E89.6Confident91.8Very high172 Ų17278.3 Ų78.380%0.80440%0.396SS*.THydrogen-bonded Turntrans-85-15.1-179.3-62.2-177.3-162.500112.1D93D93-E95 PolarHBondContact O-N 3.03Å; D93-E95 PolarHBondContact OD1-N 2.73Å
96A90.3Very high91.4Very high11 Ų1173.1 Ų73.19%0.09138%0.375CS..  trans-70.8127.6-174.400000112.6D93 F98 L99D93-A96 HydrophobicContact CB-CB 3.87Å; D93-A96 WeakPolarHBondContact O-CB 3.41Å; D93-A96 PolarHBondContact O-N 2.84Å; D93-A96 VanDerWaalsContact O-N 3.16Å; A96-F98 HydrophobicContact CB-CD1 3.54Å; A96-F98 HydrophobicContact CB-CE1 3.34Å; A96-F98 HydrophobicContact CB-CZ 4.37Å; A96-F98 PolarHBondContact O-N 2.86Å; A96-F98 VanDerWaalsContact O-N 3.12Å; A96-L99 WeakPolarHBondContact O-CB 3.41Å; A96-L99 PolarHBondContact O-N 2.73Å
97P88.5Confident91Very high103 Ų10373.5 Ų73.567%0.66938%0.376SS*.Hα-helixtrans-60.7-28.7-177.1-24.932.5000114.4L99P97-L99 VanDerWaalsContact C-N 3.29Å; P97-L99 PolarHBondContact O-N 3.18Å
98F87.9Confident90.7Very high37 Ų3775.2 Ų75.216%0.16237%0.371CS..Hα-helixtrans-69.5-28.8-18082.4-89.9000112P56 V58 L92 A96 K101 S102P56-F98 VanDerWaalsContact O-CD1 3.26Å; P56-F98 WeakPolarHBondContact O-CD1 3.41Å; P56-F98 WeakPolarHBondContact O-CE1 3.43Å; P56-F98 VanDerWaalsContact O-CZ 3.24Å; P56-F98 WeakPolarHBondContact O-CZ 3.43Å; V58-F98 HydrophobicContact CG1-CE2 4.32Å; L92-F98 HydrophobicContact CD2-CE2 4.47Å; L92-F98 HydrophobicContact CD2-CZ 4.35Å; A96-F98 HydrophobicContact CB-CD1 3.54Å; A96-F98 HydrophobicContact CB-CE1 3.34Å; A96-F98 HydrophobicContact CB-CZ 4.37Å; A96-F98 PolarHBondContact O-N 2.86Å; A96-F98 VanDerWaalsContact O-N 3.12Å; F98-K101 PolarHBondContact O-N 2.97Å; F98-S102 PolarHBondContact O-N 2.77Å; F98-S102 PolarHBondContact O-OG 2.93Å; F98-S102 VanDerWaalsContact O-OG 3.09Å
99L90.1Very high90.1Very high6 Ų672.8 Ų72.83%0.03137%0.37CS..Hα-helixtrans-64.6-46.6-175.3-179.559.2000110.5V80 L92 D93 A96 P97 K101 S102 I103V80-L99 HydrophobicContact CB-CD2 4.29Å; V80-L99 HydrophobicContact CG1-CD2 4.21Å; V80-L99 HydrophobicContact CG2-CD2 4.2Å; L92-L99 HydrophobicContact CB-CD1 3.81Å; L92-L99 HydrophobicContact CB-CD2 4.12Å; L92-L99 HydrophobicContact CD1-CD1 3.48Å; L92-L99 VanDerWaalsContact CD1-CD1 3.48Å; L92-L99 HydrophobicContact CG-CD1 4.23Å; D93-L99 WeakPolarHBondContact O-CD2 3.38Å; A96-L99 WeakPolarHBondContact O-CB 3.41Å; A96-L99 PolarHBondContact O-N 2.73Å; P97-L99 VanDerWaalsContact C-N 3.29Å; P97-L99 PolarHBondContact O-N 3.18Å; L99-K101 VanDerWaalsContact C-N 3.3Å; L99-K101 PolarHBondContact O-N 3.49Å; L99-S102 WeakPolarHBondContact O-CB 3.49Å; L99-S102 PolarHBondContact O-N 3.48Å; L99-I103 HydrophobicContact CD1-CD1 4.03Å; L99-I103 HydrophobicContact CD1-CG1 4.12Å; L99-I103 HydrophobicContact CD2-CD1 4.45Å; L99-I103 HydrophobicContact CG-CD1 3.82Å; L99-I103 HydrophobicContact CG-CG1 4.33Å; L99-I103 VanDerWaalsContact O-CG1 3.32Å; L99-I103 WeakPolarHBondContact O-CG1 3.43Å; L99-I103 PolarHBondContact O-N 3.24Å
100K89.1Confident89.2Confident151 Ų15168.9 Ų68.966%0.65737%0.365SS*.Hα-helixtrans-53.9-47176.3-65.7-177.1-179.4179.70111.8S102 I103 Q104K100-S102 VanDerWaalsContact C-N 3.34Å; K100-S102 PolarHBondContact O-N 3.17Å; K100-I103 PolarHBondContact O-N 3.32Å; K100-Q104 PolarHBondContact O-N 3.13Å; K100-Q104 VanDerWaalsContact O-N 3.08Å
101K88.8Confident88.3Confident150 Ų15074.6 Ų74.665%0.65240%0.395SS*.Hα-helixtrans-64.5-37.6177.9-64.1-177.5-179.3-179.30112.4F98 L99 K105F98-K101 PolarHBondContact O-N 2.97Å; L99-K101 VanDerWaalsContact C-N 3.3Å; L99-K101 PolarHBondContact O-N 3.49Å; K101-K105 WeakPolarHBondContact O-CG 3.37Å; K101-K105 PolarHBondContact O-N 3.41Å
102S87.6Confident87.1Confident11 Ų1182.6 Ų82.68%0.07743%0.427CS..Hα-helixtrans-67.7-44.4177.5-66.20000111.9F98 L99 K100 K105 I106F98-S102 PolarHBondContact O-N 2.77Å; F98-S102 PolarHBondContact O-OG 2.93Å; F98-S102 VanDerWaalsContact O-OG 3.09Å; L99-S102 WeakPolarHBondContact O-CB 3.49Å; L99-S102 PolarHBondContact O-N 3.48Å; K100-S102 VanDerWaalsContact C-N 3.34Å; K100-S102 PolarHBondContact O-N 3.17Å; S102-K105 PolarHBondContact O-N 3.34Å; S102-I106 WeakPolarHBondContact O-CD1 3.5Å; S102-I106 VanDerWaalsContact O-CG1 3.26Å; S102-I106 WeakPolarHBondContact O-CG1 3.48Å; S102-I106 PolarHBondContact O-N 3.47Å
103I88.8Confident85.5Confident48 Ų4891.9 Ų91.925%0.24647%0.467CS..Hα-helixtrans-60.2-48.3178.1-66.6172.3000110.2L66 L99 K100 K105 I106 L107L66-I103 HydrophobicContact CD2-CD1 3.89Å; L66-I103 HydrophobicContact CD2-CG1 3.65Å; L99-I103 HydrophobicContact CD1-CD1 4.03Å; L99-I103 HydrophobicContact CD1-CG1 4.12Å; L99-I103 HydrophobicContact CD2-CD1 4.45Å; L99-I103 HydrophobicContact CG-CD1 3.82Å; L99-I103 HydrophobicContact CG-CG1 4.33Å; L99-I103 VanDerWaalsContact O-CG1 3.32Å; L99-I103 WeakPolarHBondContact O-CG1 3.43Å; L99-I103 PolarHBondContact O-N 3.24Å; K100-I103 PolarHBondContact O-N 3.32Å; I103-K105 VanDerWaalsContact C-N 3.32Å; I103-K105 PolarHBondContact O-N 3.38Å; I103-I106 WeakPolarHBondContact O-CB 3.41Å; I103-I106 PolarHBondContact O-N 2.94Å; I103-L107 HydrophobicContact CG2-CD1 3.97Å; I103-L107 HydrophobicContact CG2-CG 4.36Å; I103-L107 WeakPolarHBondContact O-CG 3.38Å; I103-L107 PolarHBondContact O-N 3.4Å
104Q90.1Very high83.5Confident124 Ų12498.9 Ų98.958%0.57951%0.505SS*.Hα-helixtrans-58.1-46.3180-165.9142.620.900111.7K100 I106 L107 D108K100-Q104 PolarHBondContact O-N 3.13Å; K100-Q104 VanDerWaalsContact O-N 3.08Å; Q104-I106 VanDerWaalsContact C-N 3.29Å; Q104-I106 PolarHBondContact O-N 2.98Å; Q104-L107 PolarHBondContact O-N 3.29Å; Q104-L107 VanDerWaalsContact O-N 3.17Å; Q104-D108 PolarHBondContact O-N 2.95Å; Q104-D108 VanDerWaalsContact O-OD2 3.13Å
105K88.9Confident83.1Confident125 Ų125101.9 Ų101.954%0.54352%0.517SS..Hα-helixtrans-58.5-38.5174.3-73.4178.6179.8-176.20113.3P60 K101 S102 I103 S109P60-K105 HydrophobicContact CB-CB 4.29Å; P60-K105 HydrophobicContact CG-CD 4.32Å; K101-K105 WeakPolarHBondContact O-CG 3.37Å; K101-K105 PolarHBondContact O-N 3.41Å; S102-K105 PolarHBondContact O-N 3.34Å; I103-K105 VanDerWaalsContact C-N 3.32Å; I103-K105 PolarHBondContact O-N 3.38Å; K105-S109 VanDerWaalsContact O-CB 3.29Å; K105-S109 WeakPolarHBondContact O-CB 3.43Å; K105-S109 PolarHBondContact O-N 3.11Å; K105-S109 PolarHBondContact O-OG 3.47Å
106I86.9Confident82.8Confident46 Ų4698.2 Ų98.224%0.23650%0.502CS..Hα-helixtrans-65.4-44.6178.6-66.8159.7000110.1P60 I63 S102 I103 Q104 S109 G110P60-I106 HydrophobicContact CB-CD1 4.47Å; P60-I106 HydrophobicContact CB-CG1 3.98Å; I63-I106 HydrophobicContact CB-CD1 3.89Å; I63-I106 HydrophobicContact CD1-CD1 3.55Å; I63-I106 HydrophobicContact CG1-CD1 4.28Å; I63-I106 HydrophobicContact CG2-CD1 3.93Å; S102-I106 WeakPolarHBondContact O-CD1 3.5Å; S102-I106 VanDerWaalsContact O-CG1 3.26Å; S102-I106 WeakPolarHBondContact O-CG1 3.48Å; S102-I106 PolarHBondContact O-N 3.47Å; I103-I106 WeakPolarHBondContact O-CB 3.41Å; I103-I106 PolarHBondContact O-N 2.94Å; Q104-I106 VanDerWaalsContact C-N 3.29Å; Q104-I106 PolarHBondContact O-N 2.98Å; I106-S109 PolarHBondContact O-N 3.32Å; I106-G110 PolarHBondContact O-N 2.67Å
107L86.9Confident82.3Confident116 Ų116103 Ų10361%0.60753%0.525SS*.Hα-helixtrans-64.3-46178.4-64174.1000111.5I103 Q104 S109 G110 N111I103-L107 HydrophobicContact CG2-CD1 3.97Å; I103-L107 HydrophobicContact CG2-CG 4.36Å; I103-L107 WeakPolarHBondContact O-CG 3.38Å; I103-L107 PolarHBondContact O-N 3.4Å; Q104-L107 PolarHBondContact O-N 3.29Å; Q104-L107 VanDerWaalsContact O-N 3.17Å; L107-S109 VanDerWaalsContact C-N 3.3Å; L107-S109 PolarHBondContact O-N 2.98Å; L107-G110 PolarHBondContact O-N 2.74Å; L107-G110 VanDerWaalsContact O-N 3.16Å; L107-N111 PolarHBondContact O-N 3.44Å; L107-N111 VanDerWaalsContact O-N 3.08Å
108D87.7Confident82Confident97 Ų97103 Ų10352%0.51952%0.517SS..Hα-helixtrans-61.4-40.2177.3-59.8-25.8000111.5Q104 G110 N111 K112Q104-D108 PolarHBondContact O-N 2.95Å; Q104-D108 VanDerWaalsContact O-OD2 3.13Å; D108-G110 VanDerWaalsContact C-N 3.31Å; D108-G110 PolarHBondContact O-N 2.96Å; D108-N111 PolarHBondContact O-N 2.86Å; D108-K112 PolarHBondContact O-N 3.47Å
109S81.6Confident81.6Confident79 Ų79107.1 Ų107.155%0.55254%0.539SS*.Hα-helixtrans-66.2-33177.8-56.60000112.7K105 I106 L107K105-S109 VanDerWaalsContact O-CB 3.29Å; K105-S109 WeakPolarHBondContact O-CB 3.43Å; K105-S109 PolarHBondContact O-N 3.11Å; K105-S109 PolarHBondContact O-OG 3.47Å; I106-S109 PolarHBondContact O-N 3.32Å; L107-S109 VanDerWaalsContact C-N 3.3Å; L107-S109 PolarHBondContact O-N 2.98Å
110G78.1Confident81Confident47 Ų47113.9 Ų113.949%0.48557%0.573SS.*Hα-helixtrans-71.8-41.617700000112I106 L107 D108 K112 K113I106-G110 PolarHBondContact O-N 2.67Å; L107-G110 PolarHBondContact O-N 2.74Å; L107-G110 VanDerWaalsContact O-N 3.16Å; D108-G110 VanDerWaalsContact C-N 3.31Å; D108-G110 PolarHBondContact O-N 2.96Å; G110-K112 PolarHBondContact O-N 3.26Å; G110-K113 PolarHBondContact O-N 3.4Å
111N76.4Confident80.5Confident132 Ų132111.2 Ų111.271%0.70657%0.567SS**Hα-helixtrans-65.3-38.9-179.3-157.9-76000112.3L107 D108 K113 N114L107-N111 PolarHBondContact O-N 3.44Å; L107-N111 VanDerWaalsContact O-N 3.08Å; D108-N111 PolarHBondContact O-N 2.86Å; N111-K113 PolarHBondContact O-N 3.46Å; N111-N114 PolarHBondContact O-N 3.34Å
112K72Confident79.8Confident187 Ų187108.2 Ų108.281%0.81356%0.56SS**THydrogen-bonded Turntrans-67.2-14.6177-174.8164.3-177.4167.10114.5D108 G110D108-K112 PolarHBondContact O-N 3.47Å; G110-K112 PolarHBondContact O-N 3.26Å
113K60.8Low79.2Confident195 Ų195116.3 Ų116.385%0.84860%0.6SS**THydrogen-bonded Turntrans-93.91.4-177.7-141175.1-178.3-176.90112.9G110 N111G110-K113 PolarHBondContact O-N 3.4Å; N111-K113 PolarHBondContact O-N 3.46Å
114N52.1Low78.3Confident200 Ų200122.5 Ų122.5100%1.0763%0.633SS**  trans-113.50173.7-165.297.7000109.8N111N111-N114 PolarHBondContact O-N 3.34Å

Retrieved 114 of 114 residues in 183.6 ms (Link to these results)