A0A096MQ20_PAPAN Loading...

Cilia and flagella associated protein 107

Microtubule inner protein (MIP) part of the dynein-decorated doublet microtubules (DMTs) in cilia axoneme, which is required for motile cilia beating.

AlphaFold DB , UniProt , Accession A0A096MQ20, Species PAPAN (Papio anubis, Olive baboon), Gene CFAP107, Length 194 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
1M35Very low47.5Very low237 Ų237148.5 Ų148.5100%1.16780%0.801SS**  0108.40-61.7-160.9-174.100107.4
2F35.1Very low48.5Very low209 Ų209144.8 Ų144.892%0.91780%0.795SS**  trans-89115.7-175.9-67.2-77.4000109.1T4F2-T4 PolarHBondContact O-N 2.83Å
3L39.5Very low49.5Very low163 Ų163139 Ų13985%0.85377%0.766SS**  trans-74.1109.7172.5-70.7169.2000108.5V5L3-V5 PolarHBondContact O-N 2.85Å; L3-V5 VanDerWaalsContact O-N 3.09Å
4T41.1Very low50.3Low130 Ų130133.1 Ų133.180%0.79874%0.738SS**  trans-73.594.4168.637.80000108.7F2 V6F2-T4 PolarHBondContact O-N 2.83Å; T4-V6 PolarHBondContact O-N 2.89Å; T4-V6 VanDerWaalsContact O-N 3.1Å
5V41.7Very low51Low129 Ų129129 Ų12978%0.78274%0.737SS**  trans-68.2105.6167.1178.20000107.4L3 N7L3-V5 PolarHBondContact O-N 2.85Å; L3-V5 VanDerWaalsContact O-N 3.09Å; V5-N7 PolarHBondContact O-N 2.96Å; V5-N7 VanDerWaalsContact O-N 3.12Å
6V48.3Very low51.8Low128 Ų128133.4 Ų133.478%0.77674%0.738SS**  trans-72.6101.8172.81790000107.6T4T4-V6 PolarHBondContact O-N 2.89Å; T4-V6 VanDerWaalsContact O-N 3.1Å
7N54.4Low52.3Low139 Ų139131.1 Ų131.174%0.74372%0.721SS**PPolyproline II helixtrans-81.1123.6173.6-157.53.1000108.3V5 Q9V5-N7 PolarHBondContact O-N 2.96Å; V5-N7 VanDerWaalsContact O-N 3.12Å; N7-Q9 PolarHBondContact O-N 2.87Å
8P56.5Low53Low108 Ų108132.4 Ų132.470%0.70173%0.725SS**PPolyproline II helixtrans-61.3132.2-176.822.6-32.7000111.6
9Q58.2Low53.9Low125 Ų125133.6 Ų133.658%0.58473%0.725SS**PPolyproline II helixtrans-62.5130.4173-73.9-94.56.700109.2N7N7-Q9 PolarHBondContact O-N 2.87Å
10P57.2Low54.9Low75 Ų75132 Ų13249%0.48772%0.72SS.*PPolyproline II helixtrans-63.8137.7172.425.9-30.8000109.6S12P10-S12 PolarHBondContact O-N 3.09Å
11L55.4Low55.7Low191 Ų191132.5 Ų132.5100%172%0.715SS**THydrogen-bonded Turntrans-60.1-5.7-172.6-110.389.9000115.6
12S60Low57.6Low104 Ų104127.6 Ų127.673%0.72769%0.685SS**THydrogen-bonded Turntrans-106.87-168.863.90000114.8P10 P14P10-S12 PolarHBondContact O-N 3.09Å; S12-P14 WeakPolarHBondContact O-CD 3.44Å
13T61.1Low59.4Low69 Ų69121.1 Ų121.142%0.42367%0.665SS.*  trans-89.1115.8179.8-43.20000110.8
14P60Low61Low57 Ų57116.1 Ų116.137%0.3764%0.641SS.*  trans-69.4136.5177.929.2-33.7000110.8S12 W16 Q17S12-P14 WeakPolarHBondContact O-CD 3.44Å; P14-W16 HydrophobicContact CG-CZ2 4.41Å; P14-W16 PolarHBondContact O-N 2.98Å; P14-Q17 PolarHBondContact O-N 3.26Å; P14-Q17 VanDerWaalsContact O-N 3.14Å
15G61.4Low62.7Low71 Ų71118.1 Ų118.173%0.73264%0.639SS**THydrogen-bonded Turntrans-63.8-4.8-166.800000117.4
16W64.4Low64.5Low199 Ų199115.1 Ų115.175%0.75462%0.621SS**THydrogen-bonded Turntrans-92.6-11.9177.459.6-93000113.7P14P14-W16 HydrophobicContact CG-CZ2 4.41Å; P14-W16 PolarHBondContact O-N 2.98Å
17Q59Low66.1Low95 Ų95114.5 Ų114.544%0.44461%0.612SS.*  trans-99.288.5171-78.2-176-40.900110P14 E19P14-Q17 PolarHBondContact O-N 3.26Å; P14-Q17 VanDerWaalsContact O-N 3.14Å; Q17-E19 PolarHBondContact O-N 3.19Å
18I64.8Low67.1Low155 Ų155111.4 Ų111.480%0.79560%0.599SS**  trans-9981.2175.5-52.7171.5000108
19E70.6Confident68.2Low154 Ų154109.8 Ų109.872%0.7260%0.601SS**PPolyproline II helixtrans-79.9143.3171.1-68.1-175.7-179.500110.7Q17 K21Q17-E19 PolarHBondContact O-N 3.19Å; E19-K21 PolarHBondContact O-N 3.38Å
20T74.4Confident69.2Low101 Ų101108.9 Ų108.962%0.6260%0.601SS**PPolyproline II helixtrans-70.7118.6174.640.50000109.3Y22T20-Y22 WeakPolarHBondContact CB-OH 3.15Å; T20-Y22 VanDerWaalsContact O-CD2 3.28Å; T20-Y22 WeakPolarHBondContact O-CD2 3.21Å; T20-Y22 WeakPolarHBondContact O-CE2 3.45Å; T20-Y22 WeakPolarHBondContact OG1-CE2 3.41Å; T20-Y22 PolarHBondContact OG1-OH 3.05Å
21K72Confident70.2Confident143 Ų143109 Ų10962%0.62259%0.592SS**PPolyproline II helixtrans-85.2117.6178.7-67.6-176.6-179.9176.40109.8E19E19-K21 PolarHBondContact O-N 3.38Å
22Y73.8Confident71.4Confident135 Ų135102.4 Ų102.453%0.52956%0.559SS.*PPolyproline II helixtrans-101.5162.9175.5-59.8-80.5000111T20T20-Y22 WeakPolarHBondContact CB-OH 3.15Å; T20-Y22 VanDerWaalsContact O-CD2 3.28Å; T20-Y22 WeakPolarHBondContact O-CD2 3.21Å; T20-Y22 WeakPolarHBondContact O-CE2 3.45Å; T20-Y22 WeakPolarHBondContact OG1-CE2 3.41Å; T20-Y22 PolarHBondContact OG1-OH 3.05Å
23S73.8Confident72.3Confident73 Ų73102 Ų10251%0.5155%0.545SS..PPolyproline II helixtrans-64.9150.8172.2176.10000110.8K25 V26S23-K25 PolarHBondContact O-N 3.29Å; S23-V26 PolarHBondContact O-N 3.09Å
24T71.9Confident73Confident57 Ų57102.3 Ų102.335%0.3554%0.542SS..THydrogen-bonded Turntrans-58.9-6.3174.354.20000114.7E34 R35T24-E34 HydrophobicContact CG2-CB 3.75Å; T24-E34 WeakPolarHBondContact CG2-OE2 3.43Å; T24-R35 VanDerWaalsContact O-CZ 3.31Å; T24-R35 PolarHBondContact O-NE 2.95Å; T24-R35 PolarHBondContact O-NH2 2.8Å
25K77.6Confident73.8Confident173 Ų173106.2 Ų106.275%0.75255%0.55SS*.THydrogen-bonded Turntrans-78.6-29169.7-67-174.2179.8-178.50113S23S23-K25 PolarHBondContact O-N 3.29Å
26V79.8Confident74.5Confident66 Ų66111.1 Ų111.140%0.455%0.546SS..SBendtrans-83.3128.7178.1-168.20000108.1S23 T28S23-V26 PolarHBondContact O-N 3.09Å; V26-T28 HydrophobicContact CG1-CG2 4.45Å; V26-T28 WeakPolarHBondContact CG1-OG1 3.37Å; V26-T28 PolarHBondContact O-N 3.41Å
27L81.4Confident74.9Confident114 Ų114108.1 Ų108.160%0.59754%0.538SS*.  trans-82.348.4-174.4-54.3177000111.8W31L27-W31 HydrophobicContact CD2-CD2 3.61Å; L27-W31 HydrophobicContact CD2-CE3 3.68Å; L27-W31 HydrophobicContact CD2-CG 4.3Å; L27-W31 HydrophobicContact CD2-CH2 3.85Å; L27-W31 HydrophobicContact CD2-CZ2 3.79Å; L27-W31 HydrophobicContact CD2-CZ3 3.8Å
28T76.6Confident75.1Confident75 Ų75111.4 Ų111.446%0.4655%0.551SS.*SBendtrans-121.4143.2-179.235.10000110.6V26V26-T28 HydrophobicContact CG1-CG2 4.45Å; V26-T28 WeakPolarHBondContact CG1-OG1 3.37Å; V26-T28 PolarHBondContact O-N 3.41Å
29G79.6Confident75.1Confident73 Ų73109.9 Ų109.975%0.75355%0.549SS*.SBendtrans63.9-140.9-17700000113W31G29-W31 PolarHBondContact O-N 3.37Å
30N77.6Confident74.7Confident106 Ų106112 Ų11257%0.56755%0.551SS**SBendtrans-83.633.5-170.4-15918.7000114.6V32 E33 E34N30-V32 VanDerWaalsContact C-N 3.28Å; N30-V32 PolarHBondContact O-N 3.38Å; N30-E33 PolarHBondContact O-N 3.35Å; N30-E33 WeakPolarHBondContact OD1-CB 3.41Å; N30-E33 WeakPolarHBondContact OD1-CG 3.34Å; N30-E34 WeakPolarHBondContact O-CG 3.28Å; N30-E34 PolarHBondContact O-N 2.87Å
31W79.4Confident74.2Confident79 Ų79113.5 Ų113.530%0.29956%0.555SS.*Hα-helixtrans-59.7-33.1-167.871.9-91.1000114L27 G29 R35L27-W31 HydrophobicContact CD2-CD2 3.61Å; L27-W31 HydrophobicContact CD2-CE3 3.68Å; L27-W31 HydrophobicContact CD2-CG 4.3Å; L27-W31 HydrophobicContact CD2-CH2 3.85Å; L27-W31 HydrophobicContact CD2-CZ2 3.79Å; L27-W31 HydrophobicContact CD2-CZ3 3.8Å; G29-W31 PolarHBondContact O-N 3.37Å; W31-R35 WeakPolarHBondContact O-CG 3.47Å; W31-R35 PolarHBondContact O-N 3.06Å
32V80.6Confident73.7Confident52 Ų52112.4 Ų112.432%0.31556%0.56SS.*Hα-helixtrans-67.4-48.5178.7178.40000110.8N30 E34 R35 R36N30-V32 VanDerWaalsContact C-N 3.28Å; N30-V32 PolarHBondContact O-N 3.38Å; V32-E34 VanDerWaalsContact C-N 3.33Å; V32-R35 PolarHBondContact O-N 3.21Å; V32-R36 WeakPolarHBondContact O-CG 3.48Å; V32-R36 PolarHBondContact O-N 3.01Å
33E78.3Confident73.4Confident94 Ų94113 Ų11344%0.43957%0.572SS.*Hα-helixtrans-68.5-35.7-179.4-63.2-59148.600111.2N30 R35 R36 K37N30-E33 PolarHBondContact O-N 3.35Å; N30-E33 WeakPolarHBondContact OD1-CB 3.41Å; N30-E33 WeakPolarHBondContact OD1-CG 3.34Å; E33-R35 VanDerWaalsContact C-N 3.28Å; E33-R35 PolarHBondContact O-N 3.34Å; E33-R36 CarbonylContact O-C 3.48Å; E33-R36 PolarHBondContact O-N 3.01Å; E33-R36 VanDerWaalsContact O-N 3.09Å; E33-K37 PolarHBondContact O-N 3.32Å
34E76.2Confident73.3Confident77 Ų77118.2 Ų118.236%0.3659%0.586SS.*Hα-helixtrans-64.2-32.6174.8-67.2-152.9131.500113.3T24 N30 V32 K37T24-E34 HydrophobicContact CG2-CB 3.75Å; T24-E34 WeakPolarHBondContact CG2-OE2 3.43Å; N30-E34 WeakPolarHBondContact O-CG 3.28Å; N30-E34 PolarHBondContact O-N 2.87Å; V32-E34 VanDerWaalsContact C-N 3.33Å; E34-K37 IonicContact OE1-NZ 3.15Å; E34-K37 PolarHBondContact OE1-NZ 2.99Å; E34-K37 VanDerWaalsContact OE1-NZ 3.15Å
35R77.1Confident73.7Confident139 Ų139120.9 Ų120.953%0.52560%0.603SS.*Hα-helixtrans-76.2-28.3170.9-73.3-174.5-174.7179.86.1113.1T24 W31 V32 E33 K37T24-R35 VanDerWaalsContact O-CZ 3.31Å; T24-R35 PolarHBondContact O-NE 2.95Å; T24-R35 PolarHBondContact O-NH2 2.8Å; W31-R35 WeakPolarHBondContact O-CG 3.47Å; W31-R35 PolarHBondContact O-N 3.06Å; V32-R35 PolarHBondContact O-N 3.21Å; E33-R35 VanDerWaalsContact C-N 3.28Å; E33-R35 PolarHBondContact O-N 3.34Å; R35-K37 VanDerWaalsContact C-N 3.32Å
36R74.9Confident73.8Confident174 Ų174118.9 Ų118.966%0.65761%0.607SS**Hα-helixtrans-81.8-5.6176.2-75.2-179.5173.5-175.2-2.8113.8V32 E33 F38V32-R36 WeakPolarHBondContact O-CG 3.48Å; V32-R36 PolarHBondContact O-N 3.01Å; E33-R36 CarbonylContact O-C 3.48Å; E33-R36 PolarHBondContact O-N 3.01Å; E33-R36 VanDerWaalsContact O-N 3.09Å; R36-F38 PolarHBondContact O-N 3.14Å
37K74.5Confident73.9Confident135 Ų135121.7 Ų121.759%0.58762%0.616SS**SBendtrans-52107.9173.3-76.1177.2-175.5167.50108.8E33 E34 R35 T39E33-K37 PolarHBondContact O-N 3.32Å; E34-K37 IonicContact OE1-NZ 3.15Å; E34-K37 PolarHBondContact OE1-NZ 2.99Å; E34-K37 VanDerWaalsContact OE1-NZ 3.15Å; R35-K37 VanDerWaalsContact C-N 3.32Å; K37-T39 PolarHBondContact O-N 2.99Å; K37-T39 VanDerWaalsContact O-N 3.14Å
38F61.5Low74.3Confident165 Ų165120 Ų12072%0.72461%0.614SS**  trans-57.5114.4-170.2-176.8-106.3000110.5R36 R40R36-F38 PolarHBondContact O-N 3.14Å; F38-R40 HydrophobicContact CD1-CB 4.23Å; F38-R40 HydrophobicContact CD1-CG 3.55Å; F38-R40 HydrophobicContact CE1-CB 4.17Å; F38-R40 HydrophobicContact CE1-CG 3.72Å; F38-R40 PolarHBondContact O-N 3.15Å
39T65.7Low74.8Confident123 Ų123122.1 Ų122.176%0.75562%0.621SS**  trans-66.7101.2163.2-40.60000105.7K37 D41K37-T39 PolarHBondContact O-N 2.99Å; K37-T39 VanDerWaalsContact O-N 3.14Å; T39-D41 PolarHBondContact O-N 3.05Å
40R63Low75.2Confident199 Ų199126.2 Ų126.275%0.75162%0.615SS**  trans-61.2111.7174.3-77.2-175.6175.2175.9-0.7107.3F38 T42F38-R40 HydrophobicContact CD1-CB 4.23Å; F38-R40 HydrophobicContact CD1-CG 3.55Å; F38-R40 HydrophobicContact CE1-CB 4.17Å; F38-R40 HydrophobicContact CE1-CG 3.72Å; F38-R40 PolarHBondContact O-N 3.15Å; R40-T42 PolarHBondContact O-N 3.22Å; R40-T42 PolarHBondContact O-OG1 2.94Å
41D62.4Low75.6Confident131 Ų131123.1 Ų123.170%0.70161%0.608SS**  trans-58.695.7164.4-81-12.3000107T39 D43T39-D41 PolarHBondContact O-N 3.05Å; D41-D43 PolarHBondContact O-N 2.94Å
42T62.7Low75.9Confident120 Ų120126.4 Ų126.474%0.73662%0.624SS**THydrogen-bonded Turntrans-80.4-5.6-176.3-44.90000110.4R40 K44R40-T42 PolarHBondContact O-N 3.22Å; R40-T42 PolarHBondContact O-OG1 2.94Å; T42-K44 VanDerWaalsContact C-N 3.32Å; T42-K44 PolarHBondContact O-N 3.19Å
43D66.5Low76.4Confident147 Ų147130.9 Ų130.979%0.78664%0.642SS**THydrogen-bonded Turntrans-76.1-16.8-168.8-60-14.9000113.6D41D41-D43 PolarHBondContact O-N 2.94Å
44K72Confident76.9Confident184 Ų184132.4 Ų132.480%0.864%0.644SS**  trans-128.695.5-174.2-61.2-175.2-173.6175.50111.4T42T42-K44 VanDerWaalsContact C-N 3.32Å; T42-K44 PolarHBondContact O-N 3.19Å
45T80.3Confident77.4Confident113 Ų113134.2 Ų134.269%0.69366%0.655SS**PPolyproline II helixtrans-66.6132.5167.837.40000110.2Q47T45-Q47 PolarHBondContact O-N 3.39Å; T45-Q47 VanDerWaalsContact O-N 3.15Å
46P79.1Confident77.8Confident131 Ų131131.5 Ų131.585%0.85166%0.656SS**PPolyproline II helixtrans-66.8116.1177.426-32.3000109.6
47Q82.1Confident78.3Confident125 Ų125130.2 Ų130.258%0.58466%0.655SS**PPolyproline II helixtrans-86.9148.7175.3-67.4-176.7-16.300111.3T45 K52T45-Q47 PolarHBondContact O-N 3.39Å; T45-Q47 VanDerWaalsContact O-N 3.15Å; Q47-K52 HydrophobicContact CB-CG 4.33Å
48S89.3Confident78.7Confident78 Ų78129.4 Ų129.455%0.54566%0.663SS.*PPolyproline II helixtrans-63.9155.3172.865.50000111.2Y50 G51 K52S48-Y50 PolarHBondContact O-N 2.9Å; S48-G51 PolarHBondContact O-N 3.38Å; S48-G51 VanDerWaalsContact O-N 3.09Å; S48-G51 PolarHBondContact OG-N 3.11Å; S48-K52 PolarHBondContact O-N 3.3Å
49I88.4Confident79.7Confident119 Ų119128.7 Ų128.761%0.6167%0.667SS**Hα-helixtrans-56.8-43.3176.8-60.9170.6000110.2G51 K52 E53I49-G51 VanDerWaalsContact C-N 3.34Å; I49-G51 PolarHBondContact O-N 3.2Å; I49-K52 WeakPolarHBondContact O-CB 3.13Å; I49-K52 PolarHBondContact O-N 3.1Å; I49-E53 HydrophobicContact CG2-CG 4.23Å; I49-E53 VanDerWaalsContact CG2-OE1 3.23Å; I49-E53 WeakPolarHBondContact CG2-OE1 3.23Å; I49-E53 PolarHBondContact O-N 3.49Å
50Y87.9Confident80.5Confident159 Ų159129.2 Ų129.262%0.62466%0.661SS**Hα-helixtrans-56.3-43.9175-178.1-98.6000112.9S48 K52 E53 Y54S48-Y50 PolarHBondContact O-N 2.9Å; Y50-K52 PolarHBondContact O-N 3.4Å; Y50-E53 PolarHBondContact O-N 3.24Å; Y50-Y54 HydrophobicContact CE1-CD1 4.37Å; Y50-Y54 HydrophobicContact CE1-CG 4.24Å; Y50-Y54 HydrophobicContact CE2-CD2 4.5Å; Y50-Y54 HydrophobicContact CE2-CG 4.41Å; Y50-Y54 AromaticContact CZ-CG 3.92Å; Y50-Y54 WeakPolarHBondContact O-CB 3.09Å; Y50-Y54 PolarHBondContact O-N 2.92Å
51G85.1Confident81.4Confident41 Ų41130.3 Ų130.342%0.42367%0.665SS.*Hα-helixtrans-68.4-22178.400000114.1S48 I49S48-G51 PolarHBondContact O-N 3.38Å; S48-G51 VanDerWaalsContact O-N 3.09Å; S48-G51 PolarHBondContact OG-N 3.11Å; I49-G51 VanDerWaalsContact C-N 3.34Å; I49-G51 PolarHBondContact O-N 3.2Å
52K86.3Confident82.2Confident148 Ų148128 Ų12864%0.64366%0.657SS**Hα-helixtrans-83.6-36.9175.1-66.6179-178.9-179.80112.5Q47 S48 I49 Y50Q47-K52 HydrophobicContact CB-CG 4.33Å; S48-K52 PolarHBondContact O-N 3.3Å; I49-K52 WeakPolarHBondContact O-CB 3.13Å; I49-K52 PolarHBondContact O-N 3.1Å; Y50-K52 PolarHBondContact O-N 3.4Å
53E91.3Very high83.4Confident147 Ų147126.1 Ų126.169%0.68764%0.643SS**Hα-helixtrans-90.4-33.1-174.6-68.6177.2-178.800113.2I49 Y50 I55I49-E53 HydrophobicContact CG2-CG 4.23Å; I49-E53 VanDerWaalsContact CG2-OE1 3.23Å; I49-E53 WeakPolarHBondContact CG2-OE1 3.23Å; I49-E53 PolarHBondContact O-N 3.49Å; Y50-E53 PolarHBondContact O-N 3.24Å; E53-I55 PolarHBondContact O-N 3.12Å
54Y88.8Confident84.4Confident126 Ų126126.9 Ų126.949%0.49464%0.641SS.*  trans-76.7118.1180179.6-106000110.9Y50 P56Y50-Y54 HydrophobicContact CE1-CD1 4.37Å; Y50-Y54 HydrophobicContact CE1-CG 4.24Å; Y50-Y54 HydrophobicContact CE2-CD2 4.5Å; Y50-Y54 HydrophobicContact CE2-CG 4.41Å; Y50-Y54 AromaticContact CZ-CG 3.92Å; Y50-Y54 WeakPolarHBondContact O-CB 3.09Å; Y50-Y54 PolarHBondContact O-N 2.92Å; Y54-P56 HydrophobicContact CD1-CB 4.48Å; Y54-P56 HydrophobicContact CE1-CB 3.8Å; Y54-P56 WeakPolarHBondContact O-CD 3.22Å
55I86.7Confident85.2Confident115 Ų115123.3 Ų123.359%0.5963%0.63SS**  trans-98.7107172.9-59.2172.3000107.6E53 F57E53-I55 PolarHBondContact O-N 3.12Å; I55-F57 HydrophobicContact CB-CE2 4.5Å; I55-F57 HydrophobicContact CB-CZ 4.49Å; I55-F57 HydrophobicContact CG2-CE1 4.29Å; I55-F57 HydrophobicContact CG2-CE2 4.41Å; I55-F57 HydrophobicContact CG2-CZ 4.08Å; I55-F57 WeakPolarHBondContact O-CD2 3.31Å; I55-F57 PolarHBondContact O-N 3.39Å
56P85.3Confident85.6Confident81 Ų81121.5 Ų121.553%0.52662%0.622SS.*  trans-67.4130.4174.426.7-31.7000109.5Y54 P58Y54-P56 HydrophobicContact CD1-CB 4.48Å; Y54-P56 HydrophobicContact CE1-CB 3.8Å; Y54-P56 WeakPolarHBondContact O-CD 3.22Å; P56-P58 WeakPolarHBondContact O-CD 3.5Å
57F85Confident86.1Confident147 Ų147124.1 Ų124.165%0.64562%0.615SS**  trans-102.790168.9-63.7-79.1000109I55 D59 H60I55-F57 HydrophobicContact CB-CE2 4.5Å; I55-F57 HydrophobicContact CB-CZ 4.49Å; I55-F57 HydrophobicContact CG2-CE1 4.29Å; I55-F57 HydrophobicContact CG2-CE2 4.41Å; I55-F57 HydrophobicContact CG2-CZ 4.08Å; I55-F57 WeakPolarHBondContact O-CD2 3.31Å; I55-F57 PolarHBondContact O-N 3.39Å; F57-D59 VanDerWaalsContact C-N 3.27Å; F57-D59 PolarHBondContact O-N 2.53Å; F57-H60 HydrophobicContact CB-CB 3.55Å; F57-H60 WeakPolarHBondContact O-CB 3.48Å; F57-H60 PolarHBondContact O-N 3.08Å
58P83.1Confident86.5Confident118 Ų118124.4 Ų124.477%0.76661%0.611SS**THydrogen-bonded Turntrans-63.3-32.1-172.123.6-33.5000113.2P56P56-P58 WeakPolarHBondContact O-CD 3.5Å
59D83Confident86.5Confident151 Ų151126.5 Ų126.581%0.80761%0.608SS**THydrogen-bonded Turntrans-94.10.2-178.8-60-42000113.5F57 R61F57-D59 VanDerWaalsContact C-N 3.27Å; F57-D59 PolarHBondContact O-N 2.53Å; D59-R61 PolarHBondContact O-N 2.92Å; D59-R61 VanDerWaalsContact O-N 3.11Å
60H82.6Confident86.5Confident134 Ų134122.6 Ų122.662%0.6260%0.597SS**  trans-71.9110.8-179.9179.569.7000110.4F57F57-H60 HydrophobicContact CB-CB 3.55Å; F57-H60 WeakPolarHBondContact O-CB 3.48Å; F57-H60 PolarHBondContact O-N 3.08Å
61R81.1Confident86.6Confident221 Ų221121.2 Ų121.283%0.83459%0.594SS**  trans-87.5129.7166.7-68.2-175.4178.5-178.50.1108.8D59 D63D59-R61 PolarHBondContact O-N 2.92Å; D59-R61 VanDerWaalsContact O-N 3.11Å; R61-D63 PolarHBondContact O-N 3.12Å
62P79.6Confident86.6Confident82 Ų82124.3 Ų124.353%0.53259%0.593SS.*  trans-60.8135.5174.625.9-33.2000109.3Q64P62-Q64 PolarHBondContact O-N 3.35Å
63D87.6Confident86.6Confident82 Ų82126 Ų12644%0.43960%0.6SS.*  trans-68.199.1175.5-178.35.6000110R61 I65 S66 R67R61-D63 PolarHBondContact O-N 3.12Å; D63-I65 PolarHBondContact O-N 3.23Å; D63-I65 WeakPolarHBondContact OD1-CA 3.25Å; D63-I65 VanDerWaalsContact OD1-CB 3.31Å; D63-I65 WeakPolarHBondContact OD1-CB 3.1Å; D63-I65 PolarHBondContact OD1-N 3.09Å; D63-S66 PolarHBondContact O-N 3.5Å; D63-S66 PolarHBondContact OD1-N 3.38Å; D63-S66 WeakPolarHBondContact OD2-CB 3.13Å; D63-S66 PolarHBondContact OD2-N 3.41Å; D63-S66 PolarHBondContact OD2-OG 3.47Å; D63-R67 PolarHBondContact O-N 2.9Å; D63-R67 VanDerWaalsContact O-N 3.08Å
64Q87.9Confident86.4Confident162 Ų162125 Ų12576%0.75760%0.604SS**Hα-helixtrans-65.4-29.7179.7-166.8173.612.500111.5P62 W68P62-Q64 PolarHBondContact O-N 3.35Å; Q64-W68 VanDerWaalsContact O-CB 3.26Å; Q64-W68 WeakPolarHBondContact O-CB 3.5Å; Q64-W68 PolarHBondContact O-N 2.93Å
65I89.4Confident86.2Confident110 Ų110124.3 Ų124.356%0.56461%0.605SS**Hα-helixtrans-69.6-52180-60.3176.9000108.8D63 R67 W68 Y69D63-I65 PolarHBondContact O-N 3.23Å; D63-I65 WeakPolarHBondContact OD1-CA 3.25Å; D63-I65 VanDerWaalsContact OD1-CB 3.31Å; D63-I65 WeakPolarHBondContact OD1-CB 3.1Å; D63-I65 PolarHBondContact OD1-N 3.09Å; I65-R67 VanDerWaalsContact C-N 3.34Å; I65-R67 PolarHBondContact O-N 3.15Å; I65-W68 PolarHBondContact O-N 3.35Å; I65-W68 VanDerWaalsContact O-N 3.12Å; I65-Y69 HydrophobicContact CG2-CD2 3.59Å; I65-Y69 HydrophobicContact CG2-CE2 3.46Å; I65-Y69 VanDerWaalsContact CG2-CE2 3.46Å; I65-Y69 VanDerWaalsContact O-CD2 3.25Å; I65-Y69 WeakPolarHBondContact O-CD2 3.45Å; I65-Y69 PolarHBondContact O-N 3.48Å
66S88.4Confident86.2Confident75 Ų75121.6 Ų121.652%0.52461%0.606SS.*Hα-helixtrans-59.4-41.5175.9-72.20000112.7D63 W68 Y69 G70D63-S66 PolarHBondContact O-N 3.5Å; D63-S66 PolarHBondContact OD1-N 3.38Å; D63-S66 WeakPolarHBondContact OD2-CB 3.13Å; D63-S66 PolarHBondContact OD2-N 3.41Å; D63-S66 PolarHBondContact OD2-OG 3.47Å; S66-W68 PolarHBondContact O-N 3.37Å; S66-Y69 PolarHBondContact O-N 3.33Å; S66-G70 PolarHBondContact O-N 2.96Å
67R89.8Confident86.3Confident185 Ų185123.3 Ų123.370%0.69861%0.61SS**Hα-helixtrans-61.3-42.7173.7-82.9-178.177.4-175.95.3112.3D63 I65 G70 K71D63-R67 PolarHBondContact O-N 2.9Å; D63-R67 VanDerWaalsContact O-N 3.08Å; I65-R67 VanDerWaalsContact C-N 3.34Å; I65-R67 PolarHBondContact O-N 3.15Å; R67-G70 PolarHBondContact O-N 3.4Å; R67-K71 WeakPolarHBondContact O-CB 3.26Å; R67-K71 PolarHBondContact O-N 3.34Å
68W89.7Confident86.4Confident132 Ų132119.7 Ų119.750%0.560%0.601SS.*Hα-helixtrans-68.2-41.8-179-175.668.9000112.4Q64 I65 S66 K71 R72Q64-W68 VanDerWaalsContact O-CB 3.26Å; Q64-W68 WeakPolarHBondContact O-CB 3.5Å; Q64-W68 PolarHBondContact O-N 2.93Å; I65-W68 PolarHBondContact O-N 3.35Å; I65-W68 VanDerWaalsContact O-N 3.12Å; S66-W68 PolarHBondContact O-N 3.37Å; W68-K71 PolarHBondContact O-N 3.06Å; W68-R72 VanDerWaalsContact CZ2-CZ 3.44Å; W68-R72 VanDerWaalsContact CZ3-NH2 3.35Å; W68-R72 PolarHBondContact O-N 3.33Å
69Y89.3Confident86.4Confident122 Ų122121.6 Ų121.648%0.47859%0.594SS.*Hα-helixtrans-64.5-42.3173.1-82.4-72.6000112.3I65 S66 R72 K73I65-Y69 HydrophobicContact CG2-CD2 3.59Å; I65-Y69 HydrophobicContact CG2-CE2 3.46Å; I65-Y69 VanDerWaalsContact CG2-CE2 3.46Å; I65-Y69 VanDerWaalsContact O-CD2 3.25Å; I65-Y69 WeakPolarHBondContact O-CD2 3.45Å; I65-Y69 PolarHBondContact O-N 3.48Å; S66-Y69 PolarHBondContact O-N 3.33Å; Y69-R72 PolarHBondContact O-N 2.96Å; Y69-K73 WeakPolarHBondContact O-CG 3.41Å; Y69-K73 PolarHBondContact O-N 3.03Å
70G88.9Confident86.5Confident37 Ų37120.4 Ų120.438%0.38158%0.582SS.*Hα-helixtrans-59.4-46.1174.600000111.8S66 R67 K73 V74S66-G70 PolarHBondContact O-N 2.96Å; R67-G70 PolarHBondContact O-N 3.4Å; G70-K73 PolarHBondContact O-N 2.87Å; G70-V74 WeakPolarHBondContact O-CG2 3.36Å; G70-V74 PolarHBondContact O-N 2.89Å
71K89Confident86.6Confident130 Ų130120.1 Ų120.157%0.56558%0.581SS**Hα-helixtrans-61.3-47.8176.9-167.2-172.6179.2-155.30112R67 W68 K73 V74 E75R67-K71 WeakPolarHBondContact O-CB 3.26Å; R67-K71 PolarHBondContact O-N 3.34Å; W68-K71 PolarHBondContact O-N 3.06Å; K71-K73 VanDerWaalsContact C-N 3.29Å; K71-K73 PolarHBondContact O-N 2.91Å; K71-V74 PolarHBondContact O-N 3.44Å; K71-E75 WeakPolarHBondContact CD-OE1 3.47Å; K71-E75 WeakPolarHBondContact CE-OE1 3.4Å; K71-E75 HydrophobicContact CG-CG 4.31Å; K71-E75 IonicContact NZ-OE1 3.29Å; K71-E75 PolarHBondContact NZ-OE1 3.44Å; K71-E75 WeakPolarHBondContact O-CG 3.08Å; K71-E75 PolarHBondContact O-N 3.14Å
72R85.3Confident86.9Confident106 Ų106115.3 Ų115.340%0.457%0.571SS.*Hα-helixtrans-61.5-34178.4-79.4-165-60.7175.1-158.1113.6W68 Y69 V74W68-R72 VanDerWaalsContact CZ2-CZ 3.44Å; W68-R72 VanDerWaalsContact CZ3-NH2 3.35Å; W68-R72 PolarHBondContact O-N 3.33Å; Y69-R72 PolarHBondContact O-N 2.96Å; R72-V74 VanDerWaalsContact C-N 3.26Å; R72-V74 PolarHBondContact O-N 3.03Å
73K86Confident87.1Confident183 Ų183115.6 Ų115.680%0.79657%0.567SS**Hα-helixtrans-65.4-30.9174.5-77.5-175.6177.9-176.40112.5Y69 G70 K71Y69-K73 WeakPolarHBondContact O-CG 3.41Å; Y69-K73 PolarHBondContact O-N 3.03Å; G70-K73 PolarHBondContact O-N 2.87Å; K71-K73 VanDerWaalsContact C-N 3.29Å; K71-K73 PolarHBondContact O-N 2.91Å
74V87.3Confident87.1Confident125 Ų125114.1 Ų114.176%0.75856%0.561SS**Hα-helixtrans-90.3-22-178.3179.40000112.6G70 K71 R72 G76G70-V74 WeakPolarHBondContact O-CG2 3.36Å; G70-V74 PolarHBondContact O-N 2.89Å; K71-V74 PolarHBondContact O-N 3.44Å; R72-V74 VanDerWaalsContact C-N 3.26Å; R72-V74 PolarHBondContact O-N 3.03Å; V74-G76 PolarHBondContact O-N 3.29Å
75E85.8Confident86.7Confident112 Ų112113 Ų11352%0.52356%0.555SS.*SBendtrans-61-14.2-177.4-85.6172.8174.600114.6K71K71-E75 WeakPolarHBondContact CD-OE1 3.47Å; K71-E75 WeakPolarHBondContact CE-OE1 3.4Å; K71-E75 HydrophobicContact CG-CG 4.31Å; K71-E75 IonicContact NZ-OE1 3.29Å; K71-E75 PolarHBondContact NZ-OE1 3.44Å; K71-E75 WeakPolarHBondContact O-CG 3.08Å; K71-E75 PolarHBondContact O-N 3.14Å
76G86.7Confident86.4Confident59 Ų59116 Ų11661%0.60857%0.566SS**  trans67.6-157.2169.500000114.1V74V74-G76 PolarHBondContact O-N 3.29Å
77L87Confident86.1Confident116 Ų116120.4 Ų120.461%0.60758%0.579SS**SBendtrans-73.8135.4-179.8-127.393.6000110.4H81 L82L77-H81 HydrophobicContact CD2-CB 3.67Å; L77-L82 HydrophobicContact CB-CD2 4.46Å; L77-L82 HydrophobicContact CD2-CD2 4.07Å
78P86.3Confident85.7Confident71 Ų71114.5 Ų114.546%0.46156%0.559SS.*  trans-63.5141.8177.8-15.725.5000111.5K80 H81P78-K80 PolarHBondContact O-N 2.96Å; P78-H81 WeakPolarHBondContact CD-ND1 3.38Å; P78-H81 WeakPolarHBondContact CG-ND1 3.43Å; P78-H81 PolarHBondContact O-N 2.89Å
79Y84.5Confident85.4Confident158 Ų158111.4 Ų111.462%0.6256%0.556SS**Hα-helixtrans-44.9-39.2174.2177.3-86.2000113.2H81 L82 I83Y79-H81 PolarHBondContact O-N 3Å; Y79-L82 PolarHBondContact O-N 3.05Å; Y79-I83 HydrophobicContact CD2-CD1 3.55Å; Y79-I83 HydrophobicContact CE1-CB 4Å; Y79-I83 HydrophobicContact CE1-CD1 4.45Å; Y79-I83 HydrophobicContact CE1-CG2 4.11Å; Y79-I83 HydrophobicContact CE2-CB 4.16Å; Y79-I83 HydrophobicContact CE2-CD1 3.06Å; Y79-I83 HydrophobicContact CE2-CG1 4.13Å; Y79-I83 HydrophobicContact CE2-CG2 4.4Å; Y79-I83 HydrophobicContact CG-CD1 4.43Å; Y79-I83 PolarHBondContact O-N 3.02Å; Y79-I83 WeakPolarHBondContact OH-CG2 3.47Å
80K84.8Confident84.9Confident127 Ų127111.6 Ų111.655%0.55257%0.572SS**Hα-helixtrans-50.1-44.8177.5-172.8179.9178.5-176.90111.7P78 L82 T84P78-K80 PolarHBondContact O-N 2.96Å; K80-L82 VanDerWaalsContact C-N 3.34Å; K80-L82 PolarHBondContact O-N 3.49Å; K80-T84 HydrophobicContact CG-CG2 4.04Å; K80-T84 VanDerWaalsContact O-CB 3.27Å; K80-T84 WeakPolarHBondContact O-CB 3.37Å; K80-T84 WeakPolarHBondContact O-CG2 3.27Å; K80-T84 PolarHBondContact O-N 2.55Å; K80-T84 PolarHBondContact O-OG1 3.2Å
81H84.1Confident84.6Confident128 Ų128116 Ų11659%0.59358%0.583SS**Hα-helixtrans-79-18.3-176.5-57.796.6000113.6L77 P78 Y79L77-H81 HydrophobicContact CD2-CB 3.67Å; P78-H81 WeakPolarHBondContact CD-ND1 3.38Å; P78-H81 WeakPolarHBondContact CG-ND1 3.43Å; P78-H81 PolarHBondContact O-N 2.89Å; Y79-H81 PolarHBondContact O-N 3Å
82L86.8Confident84.4Confident120 Ų120114.3 Ų114.363%0.62857%0.573SS**Hα-helixtrans-89.8-39.1-177.9-65176.3000112.4L77 Y79 K80L77-L82 HydrophobicContact CB-CD2 4.46Å; L77-L82 HydrophobicContact CD2-CD2 4.07Å; Y79-L82 PolarHBondContact O-N 3.05Å; K80-L82 VanDerWaalsContact C-N 3.34Å; K80-L82 PolarHBondContact O-N 3.49Å
83I85.4Confident84.4Confident88 Ų88113.9 Ų113.945%0.45157%0.572SS.*Hα-helixtrans-118.4-19.2-166.7-68.2163.3000112.8Y79 H85Y79-I83 HydrophobicContact CD2-CD1 3.55Å; Y79-I83 HydrophobicContact CE1-CB 4Å; Y79-I83 HydrophobicContact CE1-CD1 4.45Å; Y79-I83 HydrophobicContact CE1-CG2 4.11Å; Y79-I83 HydrophobicContact CE2-CB 4.16Å; Y79-I83 HydrophobicContact CE2-CD1 3.06Å; Y79-I83 HydrophobicContact CE2-CG1 4.13Å; Y79-I83 HydrophobicContact CE2-CG2 4.4Å; Y79-I83 HydrophobicContact CG-CD1 4.43Å; Y79-I83 PolarHBondContact O-N 3.02Å; Y79-I83 WeakPolarHBondContact OH-CG2 3.47Å; I83-H85 PolarHBondContact O-CD2 3.23Å; I83-H85 PolarHBondContact O-N 3.2Å
84T86.1Confident84.6Confident50 Ų50109.4 Ų109.431%0.30756%0.556SS.*  trans-77.8120.4178.1720000110.8K80K80-T84 HydrophobicContact CG-CG2 4.04Å; K80-T84 VanDerWaalsContact O-CB 3.27Å; K80-T84 WeakPolarHBondContact O-CB 3.37Å; K80-T84 WeakPolarHBondContact O-CG2 3.27Å; K80-T84 PolarHBondContact O-N 2.55Å; K80-T84 PolarHBondContact O-OG1 3.2Å
85H81.1Confident84.6Confident140 Ų140104.5 Ų104.565%0.64853%0.525SS*.SBendtrans-82.7135169.1-65.1-83.1000108.6I83 Q87 E88I83-H85 PolarHBondContact O-CD2 3.23Å; I83-H85 PolarHBondContact O-N 3.2Å; H85-Q87 PolarHBondContact O-N 3.42Å; H85-E88 WeakPolarHBondContact O-CG 3.35Å; H85-E88 PolarHBondContact O-N 3.3Å; H85-E88 VanDerWaalsContact O-N 3.16Å
86H82.4Confident84.7Confident172 Ų172102.2 Ų102.280%0.79652%0.522SS*.THydrogen-bonded Turntrans5424.8171.4-50.9-68.1000116.7E88H86-E88 HydrophobicContact CB-CG 4.25Å; H86-E88 PolarHBondContact O-N 3.16Å
87Q81.6Confident84.6Confident167 Ų167105 Ų10578%0.7853%0.527SS*.THydrogen-bonded Turntrans58.725.7-178.2-50.7179.69.200114H85H85-Q87 PolarHBondContact O-N 3.42Å
88E81.6Confident84.6Confident62 Ų62106.4 Ų106.429%0.2953%0.525SS..  trans-67.8138.1-179.2-60.4-161.514000111.8H85 H86 R92 Y93H85-E88 WeakPolarHBondContact O-CG 3.35Å; H85-E88 PolarHBondContact O-N 3.3Å; H85-E88 VanDerWaalsContact O-N 3.16Å; H86-E88 HydrophobicContact CB-CG 4.25Å; H86-E88 PolarHBondContact O-N 3.16Å; E88-R92 IonicContact OE1-CZ 3.86Å; E88-R92 IonicContact OE1-NH1 2.79Å; E88-R92 PolarHBondContact OE1-NH1 2.92Å; E88-Y93 VanDerWaalsContact CD-OH 3.3Å; E88-Y93 PolarHBondContact OE1-OH 3.05Å; E88-Y93 VanDerWaalsContact OE2-CE2 3.31Å; E88-Y93 WeakPolarHBondContact OE2-CE2 3.31Å; E88-Y93 PolarHBondContact OE2-OH 2.79Å; E88-Y93 VanDerWaalsContact OE2-OH 3.05Å
89P83Confident84.7Confident66 Ų66104 Ų10443%0.42951%0.509SS..  trans-58138.6170.5-23.131.8000111H91 R92P89-H91 PolarHBondContact O-N 3.25Å; P89-R92 HydrophobicContact CB-CB 4.34Å; P89-R92 VanDerWaalsContact O-CB 3.24Å; P89-R92 WeakPolarHBondContact O-CB 3.24Å; P89-R92 PolarHBondContact O-N 3.18Å
90P79.1Confident84.7Confident126 Ų12697.4 Ų97.482%0.81848%0.484SS*.THydrogen-bonded Turntrans-65.1-24.6-17724.9-33.5000113.2
91H83.2Confident84.7Confident131 Ų13198.1 Ų98.161%0.60649%0.489SS*.THydrogen-bonded Turntrans-106.634.1-17952-90.9000111.9P89 L94P89-H91 PolarHBondContact O-N 3.25Å; H91-L94 HydrophobicContact CB-CD2 4.41Å
92R83.3Confident84.8Confident94 Ų9499 Ų9936%0.35549%0.488SS..SBendtrans-76.6-37.4-178.5-174176-168.11786.1113.1E88 P89 L134E88-R92 IonicContact OE1-CZ 3.86Å; E88-R92 IonicContact OE1-NH1 2.79Å; E88-R92 PolarHBondContact OE1-NH1 2.92Å; P89-R92 HydrophobicContact CB-CB 4.34Å; P89-R92 VanDerWaalsContact O-CB 3.24Å; P89-R92 WeakPolarHBondContact O-CB 3.24Å; P89-R92 PolarHBondContact O-N 3.18Å; R92-L134 HydrophobicContact CG-CD2 3.35Å
93Y86.5Confident84.7Confident97 Ų9796 Ų9638%0.3847%0.473SS..  trans-11392.5-173.3-50.5-61.8000110.7E88 P132 L134E88-Y93 VanDerWaalsContact CD-OH 3.3Å; E88-Y93 PolarHBondContact OE1-OH 3.05Å; E88-Y93 VanDerWaalsContact OE2-CE2 3.31Å; E88-Y93 WeakPolarHBondContact OE2-CE2 3.31Å; E88-Y93 PolarHBondContact OE2-OH 2.79Å; E88-Y93 VanDerWaalsContact OE2-OH 3.05Å; Y93-P132 HydrophobicContact CD1-CB 3.63Å; Y93-P132 HydrophobicContact CD1-CG 3.3Å; Y93-P132 HydrophobicContact CD2-CG 4.47Å; Y93-P132 HydrophobicContact CE1-CB 4.13Å; Y93-P132 HydrophobicContact CE1-CG 3.32Å; Y93-P132 HydrophobicContact CE2-CG 4.49Å; Y93-P132 HydrophobicContact CG-CB 4.2Å; Y93-P132 HydrophobicContact CG-CG 3.91Å; Y93-L134 HydrophobicContact CD1-CD2 3.68Å; Y93-L134 HydrophobicContact CE1-CD2 3.44Å; Y93-L134 VanDerWaalsContact CE1-CD2 3.44Å
94L89.3Confident84.1Confident89 Ų89102.1 Ų102.147%0.46649%0.49SS..  trans-107.9-0.1-174.4-61.8175000113.5H91 P137H91-L94 HydrophobicContact CB-CD2 4.41Å; L94-P137 HydrophobicContact CB-CB 3.99Å; L94-P137 HydrophobicContact CB-CG 4.25Å; L94-P137 HydrophobicContact CD1-CG 4.12Å
95I87.8Confident83.5Confident22 Ų22103.3 Ų103.311%0.11349%0.492CS..  trans-110.4127.9-178.7-65.4170.4000108.3D99 D100 L133 A135I95-D99 HydrophobicContact CG2-CB 4.18Å; I95-D100 HydrophobicContact CG2-CB 4.1Å; I95-L133 HydrophobicContact CD1-CB 4.41Å; I95-A135 HydrophobicContact CD1-CB 3.34Å
96S87.3Confident82.7Confident64 Ų6498.2 Ų98.245%0.44848%0.477SS..  trans-83.2158.7173.370.10000110.9Y98 D99 D100S96-Y98 PolarHBondContact O-N 3.26Å; S96-D99 PolarHBondContact O-N 2.88Å; S96-D99 VanDerWaalsContact O-N 3.13Å; S96-D99 WeakPolarHBondContact OG-CB 3.22Å; S96-D99 PolarHBondContact OG-N 3.34Å; S96-D99 VanDerWaalsContact OG-N 3.16Å; S96-D100 PolarHBondContact O-N 3.49Å
97T84.7Confident81.9Confident118 Ų11896.9 Ų96.972%0.72447%0.466SS*.Hα-helixtrans-60-33.5174.751.40000112.5H101T97-H101 WeakPolarHBondContact O-CB 3.29Å; T97-H101 PolarHBondContact O-N 2.95Å; T97-H101 VanDerWaalsContact O-N 3.08Å
98Y87.8Confident81.3Confident145 Ų14592.2 Ų92.257%0.56945%0.447SS*.Hα-helixtrans-61.4-51.7172.5179.1-90.5000111S96 D100 H101 Y102S96-Y98 PolarHBondContact O-N 3.26Å; Y98-D100 PolarHBondContact O-N 3.02Å; Y98-H101 PolarHBondContact O-N 3.36Å; Y98-Y102 HydrophobicContact CD1-CD2 4.18Å; Y98-Y102 AromaticContact CD2-CD2 3.8Å; Y98-Y102 HydrophobicContact CD2-CD2 3.8Å; Y98-Y102 AromaticContact CD2-CE2 3.58Å; Y98-Y102 HydrophobicContact CD2-CE2 3.58Å; Y98-Y102 AromaticContact CE1-CD2 3.91Å; Y98-Y102 HydrophobicContact CE1-CD2 3.91Å; Y98-Y102 HydrophobicContact CE1-CE2 4.26Å; Y98-Y102 HydrophobicContact CE1-CG 4.38Å; Y98-Y102 AromaticContact CE2-CD2 3.53Å; Y98-Y102 HydrophobicContact CE2-CD2 3.53Å; Y98-Y102 AromaticContact CE2-CE2 3.06Å; Y98-Y102 HydrophobicContact CE2-CE2 3.06Å; Y98-Y102 AromaticContact CE2-CZ 3.77Å; Y98-Y102 HydrophobicContact CG-CD2 4.12Å; Y98-Y102 HydrophobicContact CG-CE2 4.35Å; Y98-Y102 AromaticContact CZ-CD2 3.57Å; Y98-Y102 AromaticContact CZ-CE2 3.45Å; Y98-Y102 VanDerWaalsContact CZ-CE2 3.45Å; Y98-Y102 AromaticContact CZ-CZ 3.95Å; Y98-Y102 WeakPolarHBondContact O-CD2 3.29Å; Y98-Y102 PolarHBondContact O-N 2.87Å
99D88.1Confident80.7Confident20 Ų2094.5 Ų94.511%0.10747%0.467CS..Hα-helixtrans-60.7-43.9-178.9-170.267.6000112I95 S96 H101 Y102 N103 H105 T138I95-D99 HydrophobicContact CG2-CB 4.18Å; S96-D99 PolarHBondContact O-N 2.88Å; S96-D99 VanDerWaalsContact O-N 3.13Å; S96-D99 WeakPolarHBondContact OG-CB 3.22Å; S96-D99 PolarHBondContact OG-N 3.34Å; S96-D99 VanDerWaalsContact OG-N 3.16Å; D99-H101 PolarHBondContact O-N 3.36Å; D99-Y102 PolarHBondContact O-N 3.31Å; D99-N103 VanDerWaalsContact CG-ND2 3.34Å; D99-N103 WeakPolarHBondContact O-CB 3.45Å; D99-N103 PolarHBondContact O-N 3.19Å; D99-N103 PolarHBondContact O-ND2 3.35Å; D99-N103 PolarHBondContact OD1-ND2 3.43Å; D99-H105 IonicContact OD2-CD2 2.8Å; D99-H105 IonicContact OD2-CE1 3.34Å; D99-H105 IonicContact OD2-NE2 2.8Å; D99-H105 PolarHBondContact OD2-NE2 2.73Å; D99-T138 WeakPolarHBondContact OD1-CB 3.46Å; D99-T138 PolarHBondContact OD1-OG1 2.81Å; D99-T138 WeakPolarHBondContact OD2-CB 3.49Å; D99-T138 PolarHBondContact OD2-OG1 3.44Å
100D84.9Confident80.3Confident20 Ų2094.4 Ų94.411%0.10748%0.478CS..Hα-helixtrans-58.8-45173.8177.840.1000112.7I95 S96 Y98 R104 K128 L133I95-D100 HydrophobicContact CG2-CB 4.1Å; S96-D100 PolarHBondContact O-N 3.49Å; Y98-D100 PolarHBondContact O-N 3.02Å; D100-R104 WeakPolarHBondContact O-CA 3.4Å; D100-R104 PolarHBondContact O-N 3.23Å; D100-K128 WeakPolarHBondContact OD2-CE 3.2Å; D100-K128 IonicContact OD2-NZ 2.7Å; D100-K128 PolarHBondContact OD2-NZ 3.38Å; D100-L133 HydrophobicContact CB-CD1 4.25Å; D100-L133 WeakPolarHBondContact OD1-CD1 3.08Å
101H83.6Confident80Confident141 Ų14190 Ų9065%0.65345%0.447SS*.Hα-helixtrans-66-43.4-178.6-169.472.7000112.6T97 Y98 D99T97-H101 WeakPolarHBondContact O-CB 3.29Å; T97-H101 PolarHBondContact O-N 2.95Å; T97-H101 VanDerWaalsContact O-N 3.08Å; Y98-H101 PolarHBondContact O-N 3.36Å; D99-H101 PolarHBondContact O-N 3.36Å
102Y86.3Confident79.5Confident148 Ų14886 Ų8658%0.5843%0.433SS*.Hα-helixtrans-78.9-43.8-175.7-85.5-91.5000113Y98 D99 R104Y98-Y102 HydrophobicContact CD1-CD2 4.18Å; Y98-Y102 AromaticContact CD2-CD2 3.8Å; Y98-Y102 HydrophobicContact CD2-CD2 3.8Å; Y98-Y102 AromaticContact CD2-CE2 3.58Å; Y98-Y102 HydrophobicContact CD2-CE2 3.58Å; Y98-Y102 AromaticContact CE1-CD2 3.91Å; Y98-Y102 HydrophobicContact CE1-CD2 3.91Å; Y98-Y102 HydrophobicContact CE1-CE2 4.26Å; Y98-Y102 HydrophobicContact CE1-CG 4.38Å; Y98-Y102 AromaticContact CE2-CD2 3.53Å; Y98-Y102 HydrophobicContact CE2-CD2 3.53Å; Y98-Y102 AromaticContact CE2-CE2 3.06Å; Y98-Y102 HydrophobicContact CE2-CE2 3.06Å; Y98-Y102 AromaticContact CE2-CZ 3.77Å; Y98-Y102 HydrophobicContact CG-CD2 4.12Å; Y98-Y102 HydrophobicContact CG-CE2 4.35Å; Y98-Y102 AromaticContact CZ-CD2 3.57Å; Y98-Y102 AromaticContact CZ-CE2 3.45Å; Y98-Y102 VanDerWaalsContact CZ-CE2 3.45Å; Y98-Y102 AromaticContact CZ-CZ 3.95Å; Y98-Y102 WeakPolarHBondContact O-CD2 3.29Å; Y98-Y102 PolarHBondContact O-N 2.87Å; D99-Y102 PolarHBondContact O-N 3.31Å; Y102-R104 VanDerWaalsContact C-N 3.27Å; Y102-R104 PolarHBondContact O-N 3.4Å
103N85Confident79Confident57 Ų5785.7 Ų85.731%0.30544%0.443SS..Hα-helixtrans-82.2-8.7-179.9-66.3-43.5000113.2D99 H105 Y140D99-N103 VanDerWaalsContact CG-ND2 3.34Å; D99-N103 WeakPolarHBondContact O-CB 3.45Å; D99-N103 PolarHBondContact O-N 3.19Å; D99-N103 PolarHBondContact O-ND2 3.35Å; D99-N103 PolarHBondContact OD1-ND2 3.43Å; N103-H105 VanDerWaalsContact C-N 3.25Å; N103-H105 PolarHBondContact O-N 3.19Å; N103-Y140 PolarHBondContact ND2-OH 2.96Å; N103-Y140 PolarHBondContact OD1-OH 3.35Å
104R74.3Confident78.8Confident215 Ų21587 Ų8781%0.81146%0.456SS*.THydrogen-bonded Turntrans50.948.2-178.7-55.7179.2177-179.8-1.1110.8D100 Y102 G106D100-R104 WeakPolarHBondContact O-CA 3.4Å; D100-R104 PolarHBondContact O-N 3.23Å; Y102-R104 VanDerWaalsContact C-N 3.27Å; Y102-R104 PolarHBondContact O-N 3.4Å; R104-G106 PolarHBondContact O-N 3.1Å
105H73.4Confident78.7Confident75 Ų7588.4 Ų88.435%0.34746%0.455SS..  trans-53.4-14.6-176.7-77.4-52.1000114.3D99 N103 L133 T138D99-H105 IonicContact OD2-CD2 2.8Å; D99-H105 IonicContact OD2-CE1 3.34Å; D99-H105 IonicContact OD2-NE2 2.8Å; D99-H105 PolarHBondContact OD2-NE2 2.73Å; N103-H105 VanDerWaalsContact C-N 3.25Å; N103-H105 PolarHBondContact O-N 3.19Å; H105-L133 HydrophobicContact CB-CD1 3.81Å; H105-T138 PolarHBondContact CE1-OG1 2.8Å; H105-T138 PolarHBondContact NE2-OG1 3.34Å
106G63.8Low78.8Confident33 Ų3390.4 Ų90.434%0.3447%0.469SS..  trans139.9111.7166.600000106.7R104 N108R104-G106 PolarHBondContact O-N 3.1Å; G106-N108 PolarHBondContact O-N 3.16Å
107Y64.4Low79Confident144 Ų14493.6 Ų93.657%0.56547%0.471SS*.  trans-51.2113.5159.8173.8-102.8000107.2P109Y107-P109 HydrophobicContact CD1-CB 4.22Å; Y107-P109 HydrophobicContact CE1-CB 4.1Å; Y107-P109 WeakPolarHBondContact O-CD 3.43Å; Y107-P109 VanDerWaalsContact O-N 3.17Å
108N69.7Low79.3Confident70 Ų7089.6 Ų89.637%0.37445%0.445SS..  trans-71.8105.2173.4-177.8-10.2000107.1G106 G110 L111G106-N108 PolarHBondContact O-N 3.16Å; N108-G110 PolarHBondContact O-N 3.41Å; N108-G110 VanDerWaalsContact O-N 3.13Å; N108-G110 PolarHBondContact OD1-N 3.41Å; N108-G110 VanDerWaalsContact OD1-N 3.14Å; N108-L111 HydrophobicContact CB-CD1 4.22Å; N108-L111 HydrophobicContact CB-CG 4.41Å; N108-L111 WeakPolarHBondContact ND2-CD1 3.42Å; N108-L111 PolarHBondContact O-N 2.93Å
109P69.4Low79.6Confident109 Ų10985 Ų8571%0.70844%0.442SS*.THydrogen-bonded Turntrans-70.1-12.6-173.332.5-35.6000112.4Y107 L111Y107-P109 HydrophobicContact CD1-CB 4.22Å; Y107-P109 HydrophobicContact CE1-CB 4.1Å; Y107-P109 WeakPolarHBondContact O-CD 3.43Å; Y107-P109 VanDerWaalsContact O-N 3.17Å; P109-L111 VanDerWaalsContact C-N 3.34Å
110G74.1Confident79.9Confident64 Ų6492.8 Ų92.866%0.6648%0.478SS*.THydrogen-bonded Turntrans-82.5-6.1177.400000114.5N108N108-G110 PolarHBondContact O-N 3.41Å; N108-G110 VanDerWaalsContact O-N 3.13Å; N108-G110 PolarHBondContact OD1-N 3.41Å; N108-G110 VanDerWaalsContact OD1-N 3.14Å
111L73.1Confident80.3Confident34 Ų3498.2 Ų98.218%0.17850%0.501CS..SBendtrans-110.6134.1-179.2-65.6177.1000111.5N108 P109 F131N108-L111 HydrophobicContact CB-CD1 4.22Å; N108-L111 HydrophobicContact CB-CG 4.41Å; N108-L111 WeakPolarHBondContact ND2-CD1 3.42Å; N108-L111 PolarHBondContact O-N 2.93Å; P109-L111 VanDerWaalsContact C-N 3.34Å; L111-F131 HydrophobicContact CD1-CB 3.75Å; L111-F131 HydrophobicContact CD1-CD2 3.84Å; L111-F131 HydrophobicContact CD1-CG 4.06Å; L111-F131 HydrophobicContact CD2-CD2 3.81Å; L111-F131 HydrophobicContact CD2-CE2 3.97Å; L111-F131 HydrophobicContact CD2-CG 4.49Å; L111-F131 HydrophobicContact CG-CD2 4.48Å
112P72.1Confident80.8Confident48 Ų4897.7 Ų97.731%0.31250%0.502SS..  trans-64.6137.517427.3-32.6000109.8L114P112-L114 VanDerWaalsContact C-N 3.25Å; P112-L114 PolarHBondContact O-N 3.47Å
113P73.8Confident81.2Confident86 Ų8694.2 Ų94.256%0.55849%0.493SS*.SBendtrans-68-27.2-177.326.2-33.6000112.7
114L81.8Confident81.4Confident126 Ų12698.7 Ų98.766%0.6651%0.505SS*.SBendtrans-123.8149179.7-63.9175.4000110.4P112 T116P112-L114 VanDerWaalsContact C-N 3.25Å; P112-L114 PolarHBondContact O-N 3.47Å; L114-T116 PolarHBondContact O-N 2.84Å
115R88.1Confident82.1Confident117 Ų11790.7 Ų90.744%0.44248%0.478SS..  trans-57.6132.3171.5173.1165.2-75.6164.65.2110.8W124 L125 E127 D130R115-W124 HydrophobicContact CG-CB 3.9Å; R115-W124 HydrophobicContact CG-CD2 4.08Å; R115-W124 HydrophobicContact CG-CE3 3.55Å; R115-W124 HydrophobicContact CG-CG 4.26Å; R115-W124 HydrophobicContact CG-CZ3 4.35Å; R115-L125 WeakPolarHBondContact CG-O 3.35Å; R115-E127 HydrophobicContact CB-CB 4.17Å; R115-D130 IonicContact CZ-OD2 3.93Å; R115-D130 IonicContact NH2-OD1 3.84Å; R115-D130 PolarHBondContact NH2-OD1 3.34Å; R115-D130 IonicContact NH2-OD2 3.51Å; R115-D130 PolarHBondContact NH2-OD2 2.85Å
116T89.8Confident82.6Confident64 Ų6489.4 Ų89.439%0.39348%0.477SS..EExtended strand (participates in β ladder)trans-125140.1-178.649.90000110.8L114 W124 L125L114-T116 PolarHBondContact O-N 2.84Å; T116-W124 VanDerWaalsContact C-CE3 3.46Å; T116-L125 PolarHBondContact O-N 2.85Å
117W91.8Very high83.5Confident131 Ų13190.5 Ų90.550%0.49647%0.473SS..EExtended strand (participates in β ladder)trans-79.4125.5176.4177.3-107000109.9L122 L123 W124W117-L122 HydrophobicContact CH2-CB 4.44Å; W117-L122 WeakPolarHBondContact CH2-O 3.42Å; W117-L122 HydrophobicContact CZ2-CB 4.29Å; W117-L122 HydrophobicContact CZ2-CD2 4.17Å; W117-L123 VanDerWaalsContact CE3-C 3.46Å; W117-L123 VanDerWaalsContact CZ3-C 3.5Å; W117-W124 HydrophobicContact CB-CD2 4.29Å; W117-W124 HydrophobicContact CB-CE3 3.81Å; W117-W124 HydrophobicContact CB-CH2 3.89Å; W117-W124 HydrophobicContact CB-CZ2 4.31Å; W117-W124 HydrophobicContact CB-CZ3 3.63Å; W117-W124 AromaticContact CE3-CD1 3.75Å; W117-W124 AromaticContact CE3-CD2 3.77Å; W117-W124 HydrophobicContact CE3-CD2 3.77Å; W117-W124 AromaticContact CE3-CE2 3.74Å; W117-W124 HydrophobicContact CE3-CE3 4.43Å; W117-W124 AromaticContact CE3-CG 3.8Å; W117-W124 HydrophobicContact CE3-CG 3.8Å; W117-W124 HydrophobicContact CE3-CZ2 4.39Å; W117-W124 AromaticContact CE3-NE1 3.69Å; W117-W124 AromaticContact CZ3-CD1 3.81Å; W117-W124 HydrophobicContact CZ3-CG 4.23Å; W117-W124 AromaticContact CZ3-NE1 3.92Å; W117-W124 VanDerWaalsContact N-CE3 3.33Å; W117-W124 VanDerWaalsContact N-CZ3 3.31Å
118N90.5Very high84.2Confident34 Ų3486.6 Ų86.618%0.18246%0.459CS..EExtended strand (participates in β ladder)trans-101107.9173.8-174.2-33.3000110Q120 K121 L122 L123 L125N118-Q120 VanDerWaalsContact C-N 3.3Å; N118-Q120 PolarHBondContact O-N 3.42Å; N118-Q120 WeakPolarHBondContact OD1-CB 3.32Å; N118-Q120 PolarHBondContact OD1-N 2.89Å; N118-K121 HydrophobicContact CB-CB 4.35Å; N118-K121 PolarHBondContact O-N 2.96Å; N118-K121 PolarHBondContact OD1-N 3.29Å; N118-L122 WeakPolarHBondContact O-CA 3.46Å; N118-L122 PolarHBondContact O-N 2.87Å; N118-L123 PolarHBondContact N-O 3.15Å; N118-L123 PolarHBondContact O-N 3.5Å; N118-L125 HydrophobicContact CB-CD1 4.02Å; N118-L125 HydrophobicContact CB-CD2 4.18Å; N118-L125 HydrophobicContact CB-CG 3.85Å
119G93.9Very high84.7Confident49 Ų4986.5 Ų86.551%0.50546%0.464SS..THydrogen-bonded Turntrans-65.6-26.7-179.300000114.8L122G119-L122 WeakPolarHBondContact O-CD2 3.2Å
120Q94.9Very high85.4Confident184 Ų18484.6 Ų84.686%0.8645%0.448SS*.THydrogen-bonded Turntrans-75-38.2177.6-64.9177.4-17.300111.8N118N118-Q120 VanDerWaalsContact C-N 3.3Å; N118-Q120 PolarHBondContact O-N 3.42Å; N118-Q120 WeakPolarHBondContact OD1-CB 3.32Å; N118-Q120 PolarHBondContact OD1-N 2.89Å
121K92.4Very high85.8Confident134 Ų13486.3 Ų86.358%0.58344%0.437SS*.THydrogen-bonded Turntrans-91.8-9.1-179.6-64.1-175.3178.2-178.90113.4N118 L123N118-K121 HydrophobicContact CB-CB 4.35Å; N118-K121 PolarHBondContact O-N 2.96Å; N118-K121 PolarHBondContact OD1-N 3.29Å; K121-L123 HydrophobicContact CB-CD1 4.42Å; K121-L123 HydrophobicContact CB-CD2 3.68Å; K121-L123 HydrophobicContact CB-CG 3.64Å; K121-L123 HydrophobicContact CD-CD2 4.38Å; K121-L123 PolarHBondContact O-N 3.01Å
122L94.8Very high86.1Confident129 Ų12987.5 Ų87.568%0.67545%0.447SS*.THydrogen-bonded Turntrans50.141.6-174.8-61.1172000112.6W117 N118 G119W117-L122 HydrophobicContact CH2-CB 4.44Å; W117-L122 WeakPolarHBondContact CH2-O 3.42Å; W117-L122 HydrophobicContact CZ2-CB 4.29Å; W117-L122 HydrophobicContact CZ2-CD2 4.17Å; N118-L122 WeakPolarHBondContact O-CA 3.46Å; N118-L122 PolarHBondContact O-N 2.87Å; G119-L122 WeakPolarHBondContact O-CD2 3.2Å
123L93.7Very high86.6Confident75 Ų7587.1 Ų87.139%0.39344%0.442SS..EExtended strand (participates in β ladder)trans-143.7152.2-18062.789.2000111.4W117 N118 K121 L125W117-L123 VanDerWaalsContact CE3-C 3.46Å; W117-L123 VanDerWaalsContact CZ3-C 3.5Å; N118-L123 PolarHBondContact N-O 3.15Å; N118-L123 PolarHBondContact O-N 3.5Å; K121-L123 HydrophobicContact CB-CD1 4.42Å; K121-L123 HydrophobicContact CB-CD2 3.68Å; K121-L123 HydrophobicContact CB-CG 3.64Å; K121-L123 HydrophobicContact CD-CD2 4.38Å; K121-L123 PolarHBondContact O-N 3.01Å; L123-L125 HydrophobicContact CD1-CD2 3.84Å; L123-L125 HydrophobicContact CD1-CG 4.5Å; L123-L125 PolarHBondContact O-N 3.14Å
124W90.3Very high87.1Confident151 Ų15188 Ų8857%0.57244%0.442SS*.EExtended strand (participates in β ladder)trans-71.8121.2167.2-73.8106000109.1R115 T116 W117R115-W124 HydrophobicContact CG-CB 3.9Å; R115-W124 HydrophobicContact CG-CD2 4.08Å; R115-W124 HydrophobicContact CG-CE3 3.55Å; R115-W124 HydrophobicContact CG-CG 4.26Å; R115-W124 HydrophobicContact CG-CZ3 4.35Å; T116-W124 VanDerWaalsContact C-CE3 3.46Å; W117-W124 HydrophobicContact CB-CD2 4.29Å; W117-W124 HydrophobicContact CB-CE3 3.81Å; W117-W124 HydrophobicContact CB-CH2 3.89Å; W117-W124 HydrophobicContact CB-CZ2 4.31Å; W117-W124 HydrophobicContact CB-CZ3 3.63Å; W117-W124 AromaticContact CE3-CD1 3.75Å; W117-W124 AromaticContact CE3-CD2 3.77Å; W117-W124 HydrophobicContact CE3-CD2 3.77Å; W117-W124 AromaticContact CE3-CE2 3.74Å; W117-W124 HydrophobicContact CE3-CE3 4.43Å; W117-W124 AromaticContact CE3-CG 3.8Å; W117-W124 HydrophobicContact CE3-CG 3.8Å; W117-W124 HydrophobicContact CE3-CZ2 4.39Å; W117-W124 AromaticContact CE3-NE1 3.69Å; W117-W124 AromaticContact CZ3-CD1 3.81Å; W117-W124 HydrophobicContact CZ3-CG 4.23Å; W117-W124 AromaticContact CZ3-NE1 3.92Å; W117-W124 VanDerWaalsContact N-CE3 3.33Å; W117-W124 VanDerWaalsContact N-CZ3 3.31Å
125L87.8Confident87.2Confident47 Ų4783.8 Ų83.825%0.24643%0.425CS..EExtended strand (participates in β ladder)trans-68.2141.1174.9-68.7175.3000109.9R115 T116 N118 L123R115-L125 WeakPolarHBondContact CG-O 3.35Å; T116-L125 PolarHBondContact O-N 2.85Å; N118-L125 HydrophobicContact CB-CD1 4.02Å; N118-L125 HydrophobicContact CB-CD2 4.18Å; N118-L125 HydrophobicContact CB-CG 3.85Å; L123-L125 HydrophobicContact CD1-CD2 3.84Å; L123-L125 HydrophobicContact CD1-CG 4.5Å; L123-L125 PolarHBondContact O-N 3.14Å
126P85.2Confident87.1Confident49 Ų4983.2 Ų83.232%0.31844%0.437SS..PPolyproline II helixtrans-61.7145.3177.523.1-31.5000111.4D130 F131P126-D130 WeakPolarHBondContact CA-OD2 3.09Å; P126-D130 HydrophobicContact CB-CB 3.66Å; P126-D130 WeakPolarHBondContact CB-OD2 3.48Å; P126-F131 HydrophobicContact CB-CD2 4.33Å; P126-F131 HydrophobicContact CB-CE2 3.49Å; P126-F131 VanDerWaalsContact CB-CE2 3.49Å; P126-F131 HydrophobicContact CB-CZ 3.85Å; P126-F131 HydrophobicContact CG-CE2 3.43Å; P126-F131 VanDerWaalsContact CG-CE2 3.43Å; P126-F131 HydrophobicContact CG-CZ 3.46Å; P126-F131 VanDerWaalsContact CG-CZ 3.46Å
127E82.8Confident87.1Confident56 Ų5683 Ų8326%0.26244%0.436SS..  trans-97.1179.5178.263.6176-154.700111.4R115 S129 D130 F131R115-E127 HydrophobicContact CB-CB 4.17Å; E127-S129 VanDerWaalsContact CD-OG 3.32Å; E127-S129 VanDerWaalsContact CG-OG 3.24Å; E127-S129 WeakPolarHBondContact CG-OG 3.46Å; E127-S129 PolarHBondContact O-N 3.2Å; E127-S129 WeakPolarHBondContact OE1-CB 3.46Å; E127-S129 PolarHBondContact OE1-OG 3.18Å; E127-D130 PolarHBondContact N-OD2 3.13Å; E127-D130 WeakPolarHBondContact O-CB 3.26Å; E127-D130 PolarHBondContact O-N 3.21Å; E127-D130 VanDerWaalsContact O-N 3.08Å; E127-F131 WeakPolarHBondContact O-CD2 3.4Å
128K79.1Confident86.8Confident62 Ų6278.9 Ų78.927%0.2743%0.425SS..G310 helixtrans-51.6-39.4176-175.2-173.3171.8-166.50112.8D100 D130 F131D100-K128 WeakPolarHBondContact OD2-CE 3.2Å; D100-K128 IonicContact OD2-NZ 2.7Å; D100-K128 PolarHBondContact OD2-NZ 3.38Å; K128-D130 VanDerWaalsContact C-N 3.25Å; K128-D130 PolarHBondContact O-N 3.35Å; K128-F131 PolarHBondContact O-N 3.08Å
129S78.9Confident86.5Confident68 Ų6880.2 Ų80.248%0.47643%0.433SS..G310 helixtrans-66.6-26.6-177.5760000113.3E127 F131E127-S129 VanDerWaalsContact CD-OG 3.32Å; E127-S129 VanDerWaalsContact CG-OG 3.24Å; E127-S129 WeakPolarHBondContact CG-OG 3.46Å; E127-S129 PolarHBondContact O-N 3.2Å; E127-S129 WeakPolarHBondContact OE1-CB 3.46Å; E127-S129 PolarHBondContact OE1-OG 3.18Å; S129-F131 PolarHBondContact O-N 3.42Å
130D84.5Confident86.2Confident69 Ų6985.9 Ų85.937%0.36944%0.44SS..G310 helixtrans-75.7-15.7179.1-62.6-45000111.9R115 P126 E127 K128 P132R115-D130 IonicContact CZ-OD2 3.93Å; R115-D130 IonicContact NH2-OD1 3.84Å; R115-D130 PolarHBondContact NH2-OD1 3.34Å; R115-D130 IonicContact NH2-OD2 3.51Å; R115-D130 PolarHBondContact NH2-OD2 2.85Å; P126-D130 WeakPolarHBondContact CA-OD2 3.09Å; P126-D130 HydrophobicContact CB-CB 3.66Å; P126-D130 WeakPolarHBondContact CB-OD2 3.48Å; E127-D130 PolarHBondContact N-OD2 3.13Å; E127-D130 WeakPolarHBondContact O-CB 3.26Å; E127-D130 PolarHBondContact O-N 3.21Å; E127-D130 VanDerWaalsContact O-N 3.08Å; K128-D130 VanDerWaalsContact C-N 3.25Å; K128-D130 PolarHBondContact O-N 3.35Å; D130-P132 VanDerWaalsContact O-CD 3.29Å; D130-P132 WeakPolarHBondContact O-CD 3.48Å
131F81.8Confident86.1Confident100 Ų10078.3 Ų78.344%0.43941%0.411SS..SBendtrans-116.282.7178.2-63-73.7000111.4L111 P126 E127 K128 S129L111-F131 HydrophobicContact CD1-CB 3.75Å; L111-F131 HydrophobicContact CD1-CD2 3.84Å; L111-F131 HydrophobicContact CD1-CG 4.06Å; L111-F131 HydrophobicContact CD2-CD2 3.81Å; L111-F131 HydrophobicContact CD2-CE2 3.97Å; L111-F131 HydrophobicContact CD2-CG 4.49Å; L111-F131 HydrophobicContact CG-CD2 4.48Å; P126-F131 HydrophobicContact CB-CD2 4.33Å; P126-F131 HydrophobicContact CB-CE2 3.49Å; P126-F131 VanDerWaalsContact CB-CE2 3.49Å; P126-F131 HydrophobicContact CB-CZ 3.85Å; P126-F131 HydrophobicContact CG-CE2 3.43Å; P126-F131 VanDerWaalsContact CG-CE2 3.43Å; P126-F131 HydrophobicContact CG-CZ 3.46Å; P126-F131 VanDerWaalsContact CG-CZ 3.46Å; E127-F131 WeakPolarHBondContact O-CD2 3.4Å; K128-F131 PolarHBondContact O-N 3.08Å; S129-F131 PolarHBondContact O-N 3.42Å
132P80.8Confident86.2Confident58 Ų5876.7 Ų76.738%0.37741%0.409SS..  trans-59142.5175.225.4-36.5000111.8Y93 D130Y93-P132 HydrophobicContact CD1-CB 3.63Å; Y93-P132 HydrophobicContact CD1-CG 3.3Å; Y93-P132 HydrophobicContact CD2-CG 4.47Å; Y93-P132 HydrophobicContact CE1-CB 4.13Å; Y93-P132 HydrophobicContact CE1-CG 3.32Å; Y93-P132 HydrophobicContact CE2-CG 4.49Å; Y93-P132 HydrophobicContact CG-CB 4.2Å; Y93-P132 HydrophobicContact CG-CG 3.91Å; D130-P132 VanDerWaalsContact O-CD 3.29Å; D130-P132 WeakPolarHBondContact O-CD 3.48Å
133L81.3Confident86Confident41 Ų4176.4 Ų76.422%0.21540%0.399CS..  trans-68.4135.7180-68.5-179.9000111.7I95 D100 H105 A135I95-L133 HydrophobicContact CD1-CB 4.41Å; D100-L133 HydrophobicContact CB-CD1 4.25Å; D100-L133 WeakPolarHBondContact OD1-CD1 3.08Å; H105-L133 HydrophobicContact CB-CD1 3.81Å; L133-A135 PolarHBondContact O-N 2.56Å
134L85Confident86.1Confident104 Ų10479.1 Ų79.155%0.54541%0.41SS..  trans-95.377.3175.5-59.9-175.9000109.7R92 Y93R92-L134 HydrophobicContact CG-CD2 3.35Å; Y93-L134 HydrophobicContact CD1-CD2 3.68Å; Y93-L134 HydrophobicContact CE1-CD2 3.44Å; Y93-L134 VanDerWaalsContact CE1-CD2 3.44Å
135A83.8Confident86.3Confident38 Ų3878 Ų7831%0.31441%0.411SS..  trans-136.5157.7175.600000110.6I95 L133I95-A135 HydrophobicContact CD1-CB 3.34Å; L133-A135 PolarHBondContact O-N 2.56Å
136P86.5Confident86.7Confident105 Ų10578.4 Ų78.468%0.68241%0.413SS*.  trans-60.6152.4175.126.8-34.7000110.6
137P88.5Confident87.1Confident59 Ų5980.9 Ų80.938%0.38342%0.419SS..  trans-65.4141.9-177.824.7-30.9000111.3L94 N139L94-P137 HydrophobicContact CB-CB 3.99Å; L94-P137 HydrophobicContact CB-CG 4.25Å; L94-P137 HydrophobicContact CD1-CG 4.12Å; P137-N139 PolarHBondContact O-N 2.9Å; P137-N139 VanDerWaalsContact O-N 3.08Å
138T86.4Confident87.7Confident44 Ų4484.4 Ų84.427%0.2744%0.435SS..  trans-71.9104.1171.4-40.30000109D99 H105 Y140D99-T138 WeakPolarHBondContact OD1-CB 3.46Å; D99-T138 PolarHBondContact OD1-OG1 2.81Å; D99-T138 WeakPolarHBondContact OD2-CB 3.49Å; D99-T138 PolarHBondContact OD2-OG1 3.44Å; H105-T138 PolarHBondContact CE1-OG1 2.8Å; H105-T138 PolarHBondContact NE2-OG1 3.34Å; T138-Y140 HydrophobicContact CG2-CD1 4.22Å; T138-Y140 HydrophobicContact CG2-CD2 4.09Å; T138-Y140 HydrophobicContact CG2-CE1 3.86Å; T138-Y140 HydrophobicContact CG2-CE2 3.73Å; T138-Y140 HydrophobicContact CG2-CG 4.34Å
139N84.7Confident88.3Confident63 Ų6390.2 Ų90.234%0.33746%0.456SS..  trans-97.3-8.9-170.9-144.9-44.6000113.5P137 G141 L142 Y143P137-N139 PolarHBondContact O-N 2.9Å; P137-N139 VanDerWaalsContact O-N 3.08Å; N139-G141 PolarHBondContact O-N 3.41Å; N139-L142 WeakPolarHBondContact O-CB 3.41Å; N139-L142 PolarHBondContact O-N 3.14Å; N139-Y143 WeakPolarHBondContact ND2-CB 3.12Å; N139-Y143 VanDerWaalsContact OD1-CB 3.26Å; N139-Y143 WeakPolarHBondContact OD1-CB 3.45Å; N139-Y143 PolarHBondContact OD1-N 3.37Å
140Y87.9Confident88.9Confident168 Ų16895.6 Ų95.666%0.65947%0.466SS*.THydrogen-bonded Turntrans39.133.1-177.5-58.3-75.1000115N103 T138 L142N103-Y140 PolarHBondContact ND2-OH 2.96Å; N103-Y140 PolarHBondContact OD1-OH 3.35Å; T138-Y140 HydrophobicContact CG2-CD1 4.22Å; T138-Y140 HydrophobicContact CG2-CD2 4.09Å; T138-Y140 HydrophobicContact CG2-CE1 3.86Å; T138-Y140 HydrophobicContact CG2-CE2 3.73Å; T138-Y140 HydrophobicContact CG2-CG 4.34Å; Y140-L142 VanDerWaalsContact C-N 3.31Å; Y140-L142 PolarHBondContact O-N 3.08Å
141G92.3Very high89.3Confident25 Ų2598.5 Ų98.526%0.25848%0.481SS..THydrogen-bonded Turntrans75.7-1.2-17600000116.9N139 Y143 E144 Q145N139-G141 PolarHBondContact O-N 3.41Å; G141-Y143 PolarHBondContact O-N 2.93Å; G141-E144 WeakPolarHBondContact O-CB 3.45Å; G141-E144 PolarHBondContact O-N 2.77Å; G141-E144 VanDerWaalsContact O-N 3.16Å; G141-Q145 WeakPolarHBondContact O-CG 3.24Å; G141-Q145 PolarHBondContact O-N 2.8Å
142L93.1Very high89.4Confident100 Ų10097.8 Ų97.852%0.52449%0.485SS..Hα-helixtrans-58.1-46.4-179.8175.666.5000112.1N139 Y140 E144 Q145 L146N139-L142 WeakPolarHBondContact O-CB 3.41Å; N139-L142 PolarHBondContact O-N 3.14Å; Y140-L142 VanDerWaalsContact C-N 3.31Å; Y140-L142 PolarHBondContact O-N 3.08Å; L142-E144 VanDerWaalsContact C-N 3.3Å; L142-E144 PolarHBondContact O-N 2.82Å; L142-Q145 PolarHBondContact O-N 3.32Å; L142-L146 HydrophobicContact CD1-CD1 4.21Å; L142-L146 HydrophobicContact CD1-CG 4.27Å; L142-L146 HydrophobicContact CG-CD1 4.1Å; L142-L146 WeakPolarHBondContact O-CG 3.48Å; L142-L146 PolarHBondContact O-N 3.09Å
143Y92.5Very high89.3Confident122 Ų122100.7 Ų100.748%0.47850%0.503SS..Hα-helixtrans-61.4-38.9177.4171.1-102.8000112.4N139 G141 L146 K147N139-Y143 WeakPolarHBondContact ND2-CB 3.12Å; N139-Y143 VanDerWaalsContact OD1-CB 3.26Å; N139-Y143 WeakPolarHBondContact OD1-CB 3.45Å; N139-Y143 PolarHBondContact OD1-N 3.37Å; G141-Y143 PolarHBondContact O-N 2.93Å; Y143-L146 PolarHBondContact O-N 2.6Å; Y143-K147 HydrophobicContact CE1-CD 4.24Å; Y143-K147 WeakPolarHBondContact O-CB 3.49Å; Y143-K147 PolarHBondContact O-N 2.8Å
144E94.7Very high88.9Confident132 Ų132108.6 Ų108.662%0.61754%0.536SS*.Hα-helixtrans-64.9-45177.4-61.8177.9175.700110.6G141 L142 L146 K147 Q148G141-E144 WeakPolarHBondContact O-CB 3.45Å; G141-E144 PolarHBondContact O-N 2.77Å; G141-E144 VanDerWaalsContact O-N 3.16Å; L142-E144 VanDerWaalsContact C-N 3.3Å; L142-E144 PolarHBondContact O-N 2.82Å; E144-L146 PolarHBondContact O-N 3.36Å; E144-K147 PolarHBondContact O-N 3.35Å; E144-Q148 VanDerWaalsContact O-CG 3.32Å; E144-Q148 WeakPolarHBondContact O-CG 3.1Å; E144-Q148 PolarHBondContact O-N 2.7Å
145Q95.3Very high87.9Confident128 Ų128107.1 Ų107.160%0.59854%0.539SS*.Hα-helixtrans-60.9-44.5175.3-69.9179.5-4.900112.4G141 L142 Q148 R149G141-Q145 WeakPolarHBondContact O-CG 3.24Å; G141-Q145 PolarHBondContact O-N 2.8Å; L142-Q145 PolarHBondContact O-N 3.32Å; Q145-Q148 PolarHBondContact O-N 2.99Å; Q145-R149 WeakPolarHBondContact O-CB 3.33Å; Q145-R149 PolarHBondContact O-N 2.88Å
146L94.7Very high86.9Confident55 Ų55107.7 Ų107.729%0.28855%0.548SS..Hα-helixtrans-66.4-41.2177.7-73.3175.9000111.8L142 Y143 E144 Q148 R149 W150L142-L146 HydrophobicContact CD1-CD1 4.21Å; L142-L146 HydrophobicContact CD1-CG 4.27Å; L142-L146 HydrophobicContact CG-CD1 4.1Å; L142-L146 WeakPolarHBondContact O-CG 3.48Å; L142-L146 PolarHBondContact O-N 3.09Å; Y143-L146 PolarHBondContact O-N 2.6Å; E144-L146 PolarHBondContact O-N 3.36Å; L146-Q148 VanDerWaalsContact C-N 3.33Å; L146-Q148 PolarHBondContact O-N 3.44Å; L146-R149 CarbonylContact O-C 3.59Å; L146-R149 WeakPolarHBondContact O-CB 3.2Å; L146-R149 PolarHBondContact O-N 3.16Å; L146-R149 VanDerWaalsContact O-N 3.15Å; L146-W150 HydrophobicContact CB-CH2 4.45Å; L146-W150 HydrophobicContact CB-CZ2 4.26Å; L146-W150 VanDerWaalsContact O-CG 3.28Å; L146-W150 PolarHBondContact O-N 3.3Å
147K95Very high85.7Confident101 Ų101110.9 Ų110.944%0.43956%0.558SS.*Hα-helixtrans-60.8-44.4176.1-175.4177.8-179.8-179.80110.8Y143 E144 R149 W150 L151Y143-K147 HydrophobicContact CE1-CD 4.24Å; Y143-K147 WeakPolarHBondContact O-CB 3.49Å; Y143-K147 PolarHBondContact O-N 2.8Å; E144-K147 PolarHBondContact O-N 3.35Å; K147-R149 VanDerWaalsContact C-N 3.35Å; K147-R149 PolarHBondContact O-N 2.84Å; K147-W150 PolarHBondContact O-N 2.73Å; K147-L151 HydrophobicContact CG-CD1 4.2Å; K147-L151 WeakPolarHBondContact O-CB 3.39Å; K147-L151 VanDerWaalsContact O-CG 3.29Å; K147-L151 WeakPolarHBondContact O-CG 3.42Å; K147-L151 PolarHBondContact O-N 2.99Å
148Q94.8Very high84.7Confident130 Ų130117.8 Ų117.861%0.60758%0.582SS**Hα-helixtrans-58.6-47.1173-72.8175.31.300111E144 Q145 L146 W150 L151 T152E144-Q148 VanDerWaalsContact O-CG 3.32Å; E144-Q148 WeakPolarHBondContact O-CG 3.1Å; E144-Q148 PolarHBondContact O-N 2.7Å; Q145-Q148 PolarHBondContact O-N 2.99Å; L146-Q148 VanDerWaalsContact C-N 3.33Å; L146-Q148 PolarHBondContact O-N 3.44Å; Q148-W150 VanDerWaalsContact C-N 3.32Å; Q148-W150 PolarHBondContact O-N 3.49Å; Q148-L151 PolarHBondContact O-N 3.48Å; Q148-T152 WeakPolarHBondContact O-CG2 3.44Å; Q148-T152 PolarHBondContact O-N 3.35Å; Q148-T152 PolarHBondContact O-OG1 3.13Å
149R92.4Very high83.9Confident185 Ų185121.2 Ų121.270%0.69860%0.595SS**Hα-helixtrans-62.2-33.3178.3-173.2179.7178.9-1751.2114Q145 L146 K147 T152Q145-R149 WeakPolarHBondContact O-CB 3.33Å; Q145-R149 PolarHBondContact O-N 2.88Å; L146-R149 CarbonylContact O-C 3.59Å; L146-R149 WeakPolarHBondContact O-CB 3.2Å; L146-R149 PolarHBondContact O-N 3.16Å; L146-R149 VanDerWaalsContact O-N 3.15Å; K147-R149 VanDerWaalsContact C-N 3.35Å; K147-R149 PolarHBondContact O-N 2.84Å; R149-T152 VanDerWaalsContact C-OG1 3.26Å; R149-T152 WeakPolarHBondContact CA-OG1 3.32Å; R149-T152 PolarHBondContact O-OG1 3.04Å
150W90.9Very high83.8Confident181 Ų181121 Ų12169%0.68660%0.599SS**Hα-helixtrans-76.3-35.6176.4-64.5-27.4000112.6L146 K147 Q148 T152L146-W150 HydrophobicContact CB-CH2 4.45Å; L146-W150 HydrophobicContact CB-CZ2 4.26Å; L146-W150 VanDerWaalsContact O-CG 3.28Å; L146-W150 PolarHBondContact O-N 3.3Å; K147-W150 PolarHBondContact O-N 2.73Å; Q148-W150 VanDerWaalsContact C-N 3.32Å; Q148-W150 PolarHBondContact O-N 3.49Å; W150-T152 VanDerWaalsContact C-N 3.34Å
151L91.8Very high83.4Confident130 Ų130118.4 Ų118.468%0.68160%0.601SS**Hα-helixtrans-73.1-28.3175.8-68.7174.2000112K147 Q148 P153K147-L151 HydrophobicContact CG-CD1 4.2Å; K147-L151 WeakPolarHBondContact O-CB 3.39Å; K147-L151 VanDerWaalsContact O-CG 3.29Å; K147-L151 WeakPolarHBondContact O-CG 3.42Å; K147-L151 PolarHBondContact O-N 2.99Å; Q148-L151 PolarHBondContact O-N 3.48Å; L151-P153 WeakPolarHBondContact O-CD 3.42Å; L151-P153 VanDerWaalsContact O-N 3.14Å
152T85.9Confident83Confident85 Ų85125.1 Ų125.152%0.52162%0.619SS.*SBendtrans-63.6115.4173.847.60000109.5Q148 R149 W150 K154Q148-T152 WeakPolarHBondContact O-CG2 3.44Å; Q148-T152 PolarHBondContact O-N 3.35Å; Q148-T152 PolarHBondContact O-OG1 3.13Å; R149-T152 VanDerWaalsContact C-OG1 3.26Å; R149-T152 WeakPolarHBondContact CA-OG1 3.32Å; R149-T152 PolarHBondContact O-OG1 3.04Å; W150-T152 VanDerWaalsContact C-N 3.34Å; T152-K154 PolarHBondContact O-N 3.48Å
153P78Confident82.4Confident119 Ų119124.1 Ų124.177%0.77362%0.618SS**PPolyproline II helixtrans-60.5133.7176.524.1-31.1000108.6L151 A155L151-P153 WeakPolarHBondContact O-CD 3.42Å; L151-P153 VanDerWaalsContact O-N 3.14Å; P153-A155 PolarHBondContact O-N 3.4Å
154K71.8Confident81.8Confident207 Ų207121.6 Ų121.690%0.962%0.618SS**PPolyproline II helixtrans-56.1127.3172.8-73.2-177.1178.4178.20108T152 G156T152-K154 PolarHBondContact O-N 3.48Å; K154-G156 PolarHBondContact O-N 3Å
155A64.4Low81.3Confident73 Ų73119 Ų11960%0.60361%0.614SS**PPolyproline II helixtrans-46.6134.817700000109.6P153P153-A155 PolarHBondContact O-N 3.4Å
156G64.3Low80.8Confident49 Ų49120.5 Ų120.551%0.50562%0.616SS.*PPolyproline II helixtrans-49.2155.6-159.300000115.8K154 K158K154-G156 PolarHBondContact O-N 3Å; G156-K158 PolarHBondContact O-N 3.44Å; G156-K158 VanDerWaalsContact O-N 3.1Å
157L60.6Low80.2Confident172 Ų172122.7 Ų122.790%0.90163%0.633SS**THydrogen-bonded Turntrans-43121.1173.4-99.489.9000109.6
158K66.3Low79.5Confident204 Ų204129.3 Ų129.389%0.88766%0.655SS**THydrogen-bonded Turntrans95.622.1170.7-48.5168.2-176.5-176.50118.2G156G156-K158 PolarHBondContact O-N 3.44Å; G156-K158 VanDerWaalsContact O-N 3.1Å
159Q70.6Confident78.9Confident116 Ų116126.8 Ų126.854%0.54265%0.65SS.*  trans-82.1121.2161-66.6-166.52.600110.3
160S82.1Confident78.5Confident59 Ų59122 Ų12241%0.41364%0.643SS.*  trans-70.2152.7169.777.50000109.8Y162 T163 S164S160-Y162 PolarHBondContact O-N 3.47Å; S160-Y162 VanDerWaalsContact O-N 3.14Å; S160-T163 PolarHBondContact O-N 3.09Å; S160-T163 PolarHBondContact OG-N 3.2Å; S160-T163 PolarHBondContact OG-OG1 2.99Å; S160-S164 PolarHBondContact O-N 2.94Å; S160-S164 VanDerWaalsContact O-N 3.09Å
161T80.3Confident77.9Confident114 Ų114118.4 Ų118.470%0.69965%0.645SS**Hα-helixtrans-53.9-35.1175.6-40.60000111.8S164 S165T161-S164 WeakPolarHBondContact CA-OG 3.33Å; T161-S164 PolarHBondContact O-N 3.03Å; T161-S164 PolarHBondContact O-OG 2.66Å; T161-S165 VanDerWaalsContact O-CB 3.32Å; T161-S165 WeakPolarHBondContact O-CB 3.37Å; T161-S165 PolarHBondContact O-N 2.95Å; T161-S165 PolarHBondContact O-OG 3.2Å
162Y82.7Confident77.2Confident165 Ų165117.5 Ų117.565%0.64765%0.648SS**Hα-helixtrans-63.3-46.2176.2-176.3-97.8000111.8S160 S164 S165 Y166S160-Y162 PolarHBondContact O-N 3.47Å; S160-Y162 VanDerWaalsContact O-N 3.14Å; Y162-S164 VanDerWaalsContact C-N 3.34Å; Y162-S164 PolarHBondContact O-N 3.48Å; Y162-S165 PolarHBondContact O-N 3.05Å; Y162-Y166 AromaticContact CD2-CD2 3.59Å; Y162-Y166 HydrophobicContact CD2-CD2 3.59Å; Y162-Y166 AromaticContact CD2-CE2 3.74Å; Y162-Y166 HydrophobicContact CD2-CE2 3.74Å; Y162-Y166 AromaticContact CE2-CD2 3.53Å; Y162-Y166 HydrophobicContact CE2-CD2 3.53Å; Y162-Y166 AromaticContact CE2-CE2 3.66Å; Y162-Y166 HydrophobicContact CE2-CE2 3.66Å; Y162-Y166 HydrophobicContact CE2-CG 4.44Å; Y162-Y166 HydrophobicContact CG-CD2 4.19Å; Y162-Y166 WeakPolarHBondContact O-CD2 3.34Å; Y162-Y166 PolarHBondContact O-N 3.08Å
163T81.3Confident76.8Confident80 Ų80116.7 Ų116.749%0.49165%0.651SS.*Hα-helixtrans-65.4-35.4179.1-50.30000112.5S160S160-T163 PolarHBondContact O-N 3.09Å; S160-T163 PolarHBondContact OG-N 3.2Å; S160-T163 PolarHBondContact OG-OG1 2.99Å
164S80.6Confident76.8Confident68 Ų68117.1 Ų117.148%0.47664%0.644SS.*Hα-helixtrans-75.5-35.6177.457.40000113.2S160 T161 Y162S160-S164 PolarHBondContact O-N 2.94Å; S160-S164 VanDerWaalsContact O-N 3.09Å; T161-S164 WeakPolarHBondContact CA-OG 3.33Å; T161-S164 PolarHBondContact O-N 3.03Å; T161-S164 PolarHBondContact O-OG 2.66Å; Y162-S164 VanDerWaalsContact C-N 3.34Å; Y162-S164 PolarHBondContact O-N 3.48Å
165S84.6Confident76.8Confident77 Ų77112.9 Ų112.954%0.53864%0.64SS.*Hα-helixtrans-80.2-28.5-177.1-61.90000113T161 Y162 P167T161-S165 VanDerWaalsContact O-CB 3.32Å; T161-S165 WeakPolarHBondContact O-CB 3.37Å; T161-S165 PolarHBondContact O-N 2.95Å; T161-S165 PolarHBondContact O-OG 3.2Å; Y162-S165 PolarHBondContact O-N 3.05Å; S165-P167 VanDerWaalsContact C-CD 3.46Å; S165-P167 WeakPolarHBondContact O-CD 3.36Å
166Y84.3Confident77Confident161 Ų161115 Ų11563%0.63165%0.649SS**SBendtrans-113.578.3177.6-62.1-77.3000110.4Y162Y162-Y166 AromaticContact CD2-CD2 3.59Å; Y162-Y166 HydrophobicContact CD2-CD2 3.59Å; Y162-Y166 AromaticContact CD2-CE2 3.74Å; Y162-Y166 HydrophobicContact CD2-CE2 3.74Å; Y162-Y166 AromaticContact CE2-CD2 3.53Å; Y162-Y166 HydrophobicContact CE2-CD2 3.53Å; Y162-Y166 AromaticContact CE2-CE2 3.66Å; Y162-Y166 HydrophobicContact CE2-CE2 3.66Å; Y162-Y166 HydrophobicContact CE2-CG 4.44Å; Y162-Y166 HydrophobicContact CG-CD2 4.19Å; Y162-Y166 WeakPolarHBondContact O-CD2 3.34Å; Y162-Y166 PolarHBondContact O-N 3.08Å
167P81.1Confident77.2Confident100 Ų100122.3 Ų122.365%0.64966%0.662SS**PPolyproline II helixtrans-62.4145.5173.427.7-33.7000109.8S165S165-P167 VanDerWaalsContact C-CD 3.46Å; S165-P167 WeakPolarHBondContact O-CD 3.36Å
168R80.1Confident77.7Confident240 Ų240123 Ų12391%0.90666%0.66SS**PPolyproline II helixtrans-59.4128.1172-80.4-177.8179.2160.1-0.5108.5
169P82.9Confident78.1Confident78 Ų78122.4 Ų122.451%0.50665%0.654SS.*PPolyproline II helixtrans-60.2153.217527.6-34.4000109.4A173P169-A173 HydrophobicContact CB-CB 4.13Å
170P84.8Confident78.3Confident85 Ų85121.5 Ų121.555%0.55267%0.666SS**PPolyproline II helixtrans-57.5149178.626.7-35.1000110.1C172 A173P170-C172 PolarHBondContact O-N 3.22Å; P170-A173 HydrophobicContact CG-CB 4.3Å; P170-A173 WeakPolarHBondContact O-CB 3.2Å; P170-A173 PolarHBondContact O-N 3.25Å
171S77.4Confident77.9Confident104 Ų104126 Ų12673%0.72768%0.684SS**G310 helixtrans-56.2-28-176.352.60000113.4A173 M174S171-A173 PolarHBondContact O-N 3.12Å; S171-M174 PolarHBondContact O-N 3.35Å; S171-M174 VanDerWaalsContact O-N 3.12Å
172C76.8Confident77.5Confident111 Ų111126.1 Ų126.175%0.7569%0.687SS**G310 helixtrans-67.3-18.9175.260.30000114.6P170 M174P170-C172 PolarHBondContact O-N 3.22Å; C172-M174 VanDerWaalsContact C-N 3.34Å
173A77.4Confident77.2Confident69 Ų69124.2 Ų124.257%0.5769%0.692SS**G310 helixtrans-84.6-11.4173.600000112.5P169 P170 S171P169-A173 HydrophobicContact CB-CB 4.13Å; P170-A173 HydrophobicContact CG-CB 4.3Å; P170-A173 WeakPolarHBondContact O-CB 3.2Å; P170-A173 PolarHBondContact O-N 3.25Å; S171-A173 PolarHBondContact O-N 3.12Å
174M77.8Confident76.7Confident127 Ų127125.3 Ų125.363%0.62670%0.7SS**SBendtrans-87130.6173.3-61.7-138.3-87.300109S171 C172 C176S171-M174 PolarHBondContact O-N 3.35Å; S171-M174 VanDerWaalsContact O-N 3.12Å; C172-M174 VanDerWaalsContact C-N 3.34Å; M174-C176 PolarHBondContact O-N 2.87Å
175S71.9Confident76.3Confident118 Ų118127.7 Ų127.783%0.82571%0.714SS**PPolyproline II helixtrans-62.4123.8176.250.50000110.1R177S175-R177 PolarHBondContact O-N 3.44Å
176C68.6Low75.4Confident118 Ų118132.7 Ų132.780%0.79773%0.729SS**PPolyproline II helixtrans-66.8117.2169.7-68.30000108.1M174 E178M174-C176 PolarHBondContact O-N 2.87Å; C176-E178 PolarHBondContact O-N 3.05Å; C176-E178 VanDerWaalsContact O-N 3.13Å
177R69.9Low74.5Confident203 Ų203136.1 Ų136.177%0.76674%0.741SS**  trans-75103.7174.6-155.4178.9-172.5-169.60.9107.8S175 Y179S175-R177 PolarHBondContact O-N 3.44Å; R177-Y179 PolarHBondContact O-N 3.34Å
178E70.1Confident73.6Confident185 Ų185139.5 Ų139.586%0.86475%0.752SS**PPolyproline II helixtrans-70121.7171.9-64.6-178.4175.700108.6C176C176-E178 PolarHBondContact O-N 3.05Å; C176-E178 VanDerWaalsContact O-N 3.13Å
179Y74.7Confident72.7Confident192 Ų192136.3 Ų136.375%0.75375%0.747SS**PPolyproline II helixtrans-87.2138.8172.1-65.3-82.9000109R177 I181R177-Y179 PolarHBondContact O-N 3.34Å; Y179-I181 PolarHBondContact O-N 3.47Å
180A75.2Confident71.9Confident97 Ų97138.4 Ų138.480%0.80276%0.761SS**PPolyproline II helixtrans-60.3136.7173.700000110.2
181I74.1Confident70.5Confident155 Ų155140.4 Ų140.480%0.79577%0.771SS**PPolyproline II helixtrans-60.1123.9176.9-59169.6000107.9Y179 V183Y179-I181 PolarHBondContact O-N 3.47Å; I181-V183 PolarHBondContact O-N 3.18Å
182P70.9Confident69.7Low115 Ų115140 Ų14075%0.74777%0.767SS**PPolyproline II helixtrans-64.9120.9178.725.4-31.8000109.3P184P182-P184 WeakPolarHBondContact O-CD 3.47Å
183V76.4Confident68.3Low126 Ų126143.8 Ų143.876%0.76477%0.773SS**PPolyproline II helixtrans-69.6122174.9179.80000108I181I181-V183 PolarHBondContact O-N 3.18Å
184P71.5Confident67.1Low102 Ų102153.2 Ų153.266%0.66280%0.801SS**PPolyproline II helixtrans-66.7139.317925.9-31.7000110.1P182P182-P184 WeakPolarHBondContact O-CD 3.47Å
185P71.7Confident66.5Low119 Ų119154.6 Ų154.677%0.77381%0.81SS**PPolyproline II helixtrans-66143.4-17926.7-33.5000111.4R187P185-R187 PolarHBondContact O-N 3.4Å
186H66.6Low66.3Low181 Ų181156.5 Ų156.584%0.83881%0.809SS**PPolyproline II helixtrans-61.5125.7179.1-66.9-71.5000111L188H186-L188 PolarHBondContact O-N 3.13Å
187R63.7Low66.1Low233 Ų233158.6 Ų158.688%0.87981%0.81SS**PPolyproline II helixtrans-71117.9177.9-66.6-176.8179.9-179.80.1109.4P185 H189P185-R187 PolarHBondContact O-N 3.4Å; R187-H189 PolarHBondContact O-N 3.49Å
188L63.8Low65.9Low171 Ų171156 Ų15690%0.89581%0.813SS**PPolyproline II helixtrans-70.7125.7169.5-64.3174.3000108.8H186H186-L188 PolarHBondContact O-N 3.13Å
189H61.6Low65.6Low173 Ų173154.2 Ų154.280%0.80181%0.809SS**PPolyproline II helixtrans-71.6141176.2-73-81.1000110.6R187R187-H189 PolarHBondContact O-N 3.49Å
190P64.7Low65Low123 Ų123151.7 Ų151.780%0.79981%0.813SS**PPolyproline II helixtrans-71.9137.9178.128.9-32.2000111.1
191V56.5Low64.3Low126 Ų126155.6 Ų155.676%0.76481%0.814SS**PPolyproline II helixtrans-74.1134.3177.3-177.80000109.2H193V191-H193 PolarHBondContact O-N 3.33Å
192P59.7Low63.6Low97 Ų97155.6 Ų155.663%0.6382%0.816SS**PPolyproline II helixtrans-71.6128178.128.4-31.4000110.2
193H48Very low63Low190 Ų190159 Ų15988%0.8882%0.821SS**PPolyproline II helixtrans-78.1124.2167.8-81.2-32.6000109.5V191V191-H193 PolarHBondContact O-N 3.33Å
194F51.3Low61.7Low267 Ų267162 Ų162100%1.17183%0.826SS**  trans-94.10163.9-76.1-78.9000109.5

Retrieved 194 of 194 residues in 33 ms (Link to these results)