A0A077Z650_TRITR Loading...

Protein lin 52

AlphaFold DB , UniProt , Accession A0A077Z650, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 143 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M56.4Low71.7Confident225 Ų225152.6 Ų152.6100%1.10879%0.793SS**  094.90-82-138.8174.700105L3M1-L3 PolarHBondContact O-N 2.86Å; M1-L3 VanDerWaalsContact O-N 3.09Å
2D68.6Low71.9Confident158 Ų158156.1 Ų156.185%0.84579%0.788SS**  trans-74.6102.9-177.8-55.8-34.5000106.1Y4D2-Y4 PolarHBondContact O-N 3.11Å
3L67.7Low72.1Confident157 Ų157158.7 Ų158.782%0.82279%0.791SS**  trans-59.2109.6168.1-87.786.4000105.7M1 P5M1-L3 PolarHBondContact O-N 2.86Å; M1-L3 VanDerWaalsContact O-N 3.09Å; L3-P5 WeakPolarHBondContact O-CD 3.46Å
4Y72.1Confident71.9Confident215 Ų215155.1 Ų155.184%0.84379%0.789SS**  trans-52.3115.3166.5-105.8-101000107D2 C6D2-Y4 PolarHBondContact O-N 3.11Å; Y4-C6 PolarHBondContact O-N 2.84Å; Y4-C6 VanDerWaalsContact O-N 3.17Å
5P75.9Confident71.6Confident100 Ų100151.5 Ų151.565%0.64978%0.78SS**  trans-58.9124171.5-1730.6000106.7L3 D7L3-P5 WeakPolarHBondContact O-CD 3.46Å; P5-D7 PolarHBondContact O-N 3.01Å
6C74.2Confident71.3Confident121 Ų121148.2 Ų148.282%0.81876%0.764SS**  trans-67.692.6166.5-64.30000106.8Y4 E8Y4-C6 PolarHBondContact O-N 2.84Å; Y4-C6 VanDerWaalsContact O-N 3.17Å; C6-E8 PolarHBondContact O-N 3.43Å
7D73.6Confident70.8Confident160 Ų160148.3 Ų148.386%0.85677%0.765SS**  trans-7364.1165.2-82.2-30.4000108.6P5P5-D7 PolarHBondContact O-N 3.01Å
8E77.9Confident70.4Confident149 Ų149148.4 Ų148.470%0.69676%0.755SS**  trans-86106.6167-175.5177-170.800107.9C6 L10C6-E8 PolarHBondContact O-N 3.43Å; E8-L10 PolarHBondContact O-N 3.17Å; E8-L10 VanDerWaalsContact O-N 3.1Å
9D76.9Confident70Confident102 Ų102146.7 Ų146.755%0.54575%0.754SS.*  trans-73.9100.9171.5-170.20.7000109.6N11 R12D9-N11 PolarHBondContact O-N 3.29Å; D9-N11 VanDerWaalsContact O-N 3.13Å; D9-N11 WeakPolarHBondContact OD1-CA 3.47Å; D9-N11 VanDerWaalsContact OD1-CB 3.32Å; D9-N11 WeakPolarHBondContact OD1-CB 3.33Å; D9-N11 PolarHBondContact OD1-N 3.07Å; D9-N11 PolarHBondContact OD1-ND2 2.82Å; D9-R12 VanDerWaalsContact O-CB 3.27Å; D9-R12 WeakPolarHBondContact O-CB 3.48Å; D9-R12 PolarHBondContact O-N 3.43Å
10L71.8Confident69.7Low159 Ų159146.5 Ų146.583%0.83275%0.75SS**THydrogen-bonded Turntrans-60.7-15.7173.3-76.4157.4000112.7E8 R12E8-L10 PolarHBondContact O-N 3.17Å; E8-L10 VanDerWaalsContact O-N 3.1Å; L10-R12 VanDerWaalsContact C-N 3.32Å
11N73.8Confident69.4Low133 Ų133145.4 Ų145.471%0.71174%0.74SS**THydrogen-bonded Turntrans-90.59.7173.2-57.1-70.1000113D9 K13D9-N11 PolarHBondContact O-N 3.29Å; D9-N11 VanDerWaalsContact O-N 3.13Å; D9-N11 WeakPolarHBondContact OD1-CA 3.47Å; D9-N11 VanDerWaalsContact OD1-CB 3.32Å; D9-N11 WeakPolarHBondContact OD1-CB 3.33Å; D9-N11 PolarHBondContact OD1-N 3.07Å; D9-N11 PolarHBondContact OD1-ND2 2.82Å; N11-K13 PolarHBondContact O-N 3.45Å
12R73.7Confident69.8Low194 Ų194138 Ų13873%0.73270%0.704SS**  trans-62.891.9170.4-170.2-179.491.8-151.65.8108.8D9 L10 S14D9-R12 VanDerWaalsContact O-CB 3.27Å; D9-R12 WeakPolarHBondContact O-CB 3.48Å; D9-R12 PolarHBondContact O-N 3.43Å; L10-R12 VanDerWaalsContact C-N 3.32Å; R12-S14 PolarHBondContact O-N 3.2Å
13K74.1Confident69.4Low190 Ų190134.6 Ų134.683%0.82669%0.691SS**PPolyproline II helixtrans-54134.8166.7-63.5-174.6-179-175.20107N11N11-K13 PolarHBondContact O-N 3.45Å
14S70Confident69.3Low108 Ų108132.3 Ų132.376%0.75568%0.684SS**PPolyproline II helixtrans-47.2136.2173.9-58.60000109.1R12R12-S14 PolarHBondContact O-N 3.2Å
15P67.8Low69.1Low102 Ų102125.1 Ų125.166%0.66266%0.662SS**PPolyproline II helixtrans-50.1146.1173.6-23.632.2000110.1L17P15-L17 PolarHBondContact O-N 2.84Å
16D66.2Low68.7Low98 Ų98122.3 Ų122.352%0.52464%0.644SS.*  trans-59.6111.4171.6-1637.3000107.4W18 K21D16-W18 PolarHBondContact O-N 3.45Å; D16-W18 VanDerWaalsContact O-N 3.14Å; D16-K21 IonicContact OD1-NZ 2.75Å; D16-K21 PolarHBondContact OD1-NZ 3.18Å; D16-K21 IonicContact OD2-NZ 2.88Å; D16-K21 PolarHBondContact OD2-NZ 3.03Å
17L62.3Low68.6Low150 Ų150121.5 Ų121.579%0.78563%0.632SS**SBendtrans-58.8-28.2-175.7-78.2161.1000111P15P15-L17 PolarHBondContact O-N 2.84Å
18W64.1Low68.5Low151 Ų151115.5 Ų115.557%0.57261%0.605SS**  trans-138.391.8-178.4-52.495.2000108.4D16 E20D16-W18 PolarHBondContact O-N 3.45Å; D16-W18 VanDerWaalsContact O-N 3.14Å; W18-E20 PolarHBondContact O-N 3.15Å
19P63.2Low68.2Low115 Ų115110.6 Ų110.675%0.74759%0.59SS**SBendtrans-60.4-30175.924.1-32.4000111.1
20E63Low68Low143 Ų143109.9 Ų109.967%0.66859%0.586SS**SBendtrans-80.9119.4170.6-167.5176.8177.100110.3W18 L22W18-E20 PolarHBondContact O-N 3.15Å; E20-L22 PolarHBondContact O-N 2.85Å
21K63.2Low68Low124 Ų124109.2 Ų109.254%0.53958%0.576SS.*  trans-76.889.9176.1-58.6-61.3169-148.20109.1D16 P23D16-K21 IonicContact OD1-NZ 2.75Å; D16-K21 PolarHBondContact OD1-NZ 3.18Å; D16-K21 IonicContact OD2-NZ 2.88Å; D16-K21 PolarHBondContact OD2-NZ 3.03Å; K21-P23 VanDerWaalsContact O-CD 3.26Å; K21-P23 WeakPolarHBondContact O-CD 3.23Å
22L64.8Low67.8Low69 Ų69109.9 Ų109.936%0.36157%0.573SS.*  trans-69.6112.8167.8-66.5174.2000108.1E20 T24 V25 C26E20-L22 PolarHBondContact O-N 2.85Å; L22-T24 PolarHBondContact O-N 2.87Å; L22-V25 HydrophobicContact CB-CB 4.08Å; L22-V25 HydrophobicContact CB-CG2 3.83Å; L22-V25 HydrophobicContact CD1-CG2 3.99Å; L22-V25 PolarHBondContact O-N 3.26Å; L22-C26 PolarHBondContact O-N 3.13Å
23P61.8Low67.7Low86 Ų86106.5 Ų106.556%0.55857%0.569SS**Hα-helixtrans-51.8-37.6-171.1-26.633.6000113K21K21-P23 VanDerWaalsContact O-CD 3.26Å; K21-P23 WeakPolarHBondContact O-CD 3.23Å
24T65.6Low67.5Low110 Ų110104 Ų10468%0.67556%0.558SS**Hα-helixtrans-75.8-36-178.6-46.40000113.7L22 A28L22-T24 PolarHBondContact O-N 2.87Å; T24-A28 WeakPolarHBondContact O-CB 3.4Å; T24-A28 PolarHBondContact O-N 3.44Å; T24-A28 VanDerWaalsContact O-N 3.15Å
25V66.7Low67.3Low64 Ų64102.1 Ų102.139%0.38854%0.542SS..Hα-helixtrans-76.4-41.8-173.6-178.20000110.5L22 A29L22-V25 HydrophobicContact CB-CB 4.08Å; L22-V25 HydrophobicContact CB-CG2 3.83Å; L22-V25 HydrophobicContact CD1-CG2 3.99Å; L22-V25 PolarHBondContact O-N 3.26Å; V25-A29 WeakPolarHBondContact O-CB 3.24Å; V25-A29 PolarHBondContact O-N 3.48Å
26C68Low67Low41 Ų41102 Ų10228%0.27754%0.539SS..Hα-helixtrans-65.1-47.7179-65.60000111.6L22 A28 A29 D30L22-C26 PolarHBondContact O-N 3.13Å; C26-A28 VanDerWaalsContact C-N 3.32Å; C26-A28 PolarHBondContact O-N 3.4Å; C26-A29 PolarHBondContact O-N 2.86Å; C26-D30 PolarHBondContact O-N 3.42Å
27D72.6Confident66.9Low103 Ų103104.2 Ų104.255%0.55155%0.551SS**Hα-helixtrans-64.7-37.7179.8-73.4-11.1000112.3K31D27-K31 WeakPolarHBondContact O-CB 3.01Å; D27-K31 WeakPolarHBondContact O-CG 2.9Å; D27-K31 PolarHBondContact O-N 3.07Å
28A72Confident67Low35 Ų35104.9 Ų104.929%0.28955%0.55SS.*Hα-helixtrans-64.4-50173.700000110.7T24 C26 D30 K31 F32T24-A28 WeakPolarHBondContact O-CB 3.4Å; T24-A28 PolarHBondContact O-N 3.44Å; T24-A28 VanDerWaalsContact O-N 3.15Å; C26-A28 VanDerWaalsContact C-N 3.32Å; C26-A28 PolarHBondContact O-N 3.4Å; A28-D30 VanDerWaalsContact C-N 3.33Å; A28-D30 PolarHBondContact O-N 2.91Å; A28-K31 PolarHBondContact O-N 3.18Å; A28-K31 VanDerWaalsContact O-N 3.16Å; A28-F32 HydrophobicContact CB-CD2 4.34Å; A28-F32 HydrophobicContact CB-CE2 4.35Å; A28-F32 WeakPolarHBondContact O-CD2 3.41Å; A28-F32 PolarHBondContact O-N 2.91Å
29A71.3Confident66.8Low46 Ų46103.6 Ų103.638%0.3855%0.55SS.*Hα-helixtrans-56.8-46179.500000111.6V25 C26 K31 F32 L33V25-A29 WeakPolarHBondContact O-CB 3.24Å; V25-A29 PolarHBondContact O-N 3.48Å; C26-A29 PolarHBondContact O-N 2.86Å; A29-K31 PolarHBondContact O-N 2.94Å; A29-F32 PolarHBondContact O-N 3.2Å; A29-L33 WeakPolarHBondContact O-CB 3.18Å; A29-L33 VanDerWaalsContact O-CG 3.25Å; A29-L33 WeakPolarHBondContact O-CG 2.88Å; A29-L33 PolarHBondContact O-N 3.46Å
30D72Confident66.6Low87 Ų87103.3 Ų103.347%0.46554%0.542SS..Hα-helixtrans-63.7-40.9177.4-79.6-12.5000112.5C26 A28 K34C26-D30 PolarHBondContact O-N 3.42Å; A28-D30 VanDerWaalsContact C-N 3.33Å; A28-D30 PolarHBondContact O-N 2.91Å; D30-K34 WeakPolarHBondContact O-CB 3.43Å; D30-K34 WeakPolarHBondContact O-CG 3.39Å; D30-K34 PolarHBondContact O-N 2.92Å
31K72Confident66.5Low145 Ų145100.5 Ų100.563%0.6354%0.535SS*.Hα-helixtrans-63.3-43.8174.5-80.4172-178.3-78.70111.7D27 A28 A29 K34 T35D27-K31 WeakPolarHBondContact O-CB 3.01Å; D27-K31 WeakPolarHBondContact O-CG 2.9Å; D27-K31 PolarHBondContact O-N 3.07Å; A28-K31 PolarHBondContact O-N 3.18Å; A28-K31 VanDerWaalsContact O-N 3.16Å; A29-K31 PolarHBondContact O-N 2.94Å; K31-K34 PolarHBondContact O-N 3.37Å; K31-T35 WeakPolarHBondContact O-CB 3.48Å; K31-T35 PolarHBondContact O-N 3.19Å; K31-T35 PolarHBondContact O-OG1 3.37Å
32F70.3Confident66.5Low146 Ų146103 Ų10364%0.6454%0.543SS*.Hα-helixtrans-62.8-49.3177.6-83.3-70.5000110.9A28 A29 K34 T35 V36A28-F32 HydrophobicContact CB-CD2 4.34Å; A28-F32 HydrophobicContact CB-CE2 4.35Å; A28-F32 WeakPolarHBondContact O-CD2 3.41Å; A28-F32 PolarHBondContact O-N 2.91Å; A29-F32 PolarHBondContact O-N 3.2Å; F32-K34 VanDerWaalsContact C-N 3.3Å; F32-K34 PolarHBondContact O-N 3.2Å; F32-T35 PolarHBondContact O-N 2.84Å; F32-V36 VanDerWaalsContact O-CG2 3.25Å; F32-V36 WeakPolarHBondContact O-CG2 3.44Å; F32-V36 PolarHBondContact O-N 3.09Å
33L71Confident66.6Low124 Ų124107 Ų10765%0.64956%0.559SS**Hα-helixtrans-60.7-38.2179.2-69.4174.9000112.5A29 N37A29-L33 WeakPolarHBondContact O-CB 3.18Å; A29-L33 VanDerWaalsContact O-CG 3.25Å; A29-L33 WeakPolarHBondContact O-CG 2.88Å; A29-L33 PolarHBondContact O-N 3.46Å; L33-N37 PolarHBondContact O-N 3.21Å
34K70.4Confident67Low136 Ų136108.1 Ų108.159%0.59157%0.569SS**Hα-helixtrans-68-45.5175.2-72.6172.4-174.1179.50112.2D30 K31 F32 V36 N37 E38D30-K34 WeakPolarHBondContact O-CB 3.43Å; D30-K34 WeakPolarHBondContact O-CG 3.39Å; D30-K34 PolarHBondContact O-N 2.92Å; K31-K34 PolarHBondContact O-N 3.37Å; F32-K34 VanDerWaalsContact C-N 3.3Å; F32-K34 PolarHBondContact O-N 3.2Å; K34-V36 VanDerWaalsContact C-N 3.34Å; K34-V36 PolarHBondContact O-N 2.92Å; K34-N37 PolarHBondContact O-N 3Å; K34-E38 PolarHBondContact O-N 3.41Å
35T64.4Low67.5Low69 Ų69109.7 Ų109.742%0.42357%0.572SS.*Hα-helixtrans-63.3-41.2-178.5-52.30000111.5K31 F32 N37 E38 Q39K31-T35 WeakPolarHBondContact O-CB 3.48Å; K31-T35 PolarHBondContact O-N 3.19Å; K31-T35 PolarHBondContact O-OG1 3.37Å; F32-T35 PolarHBondContact O-N 2.84Å; T35-N37 VanDerWaalsContact C-N 3.25Å; T35-N37 PolarHBondContact O-N 3.03Å; T35-E38 PolarHBondContact O-N 3.07Å; T35-Q39 HydrophobicContact CG2-CG 4.34Å; T35-Q39 PolarHBondContact O-N 3.33Å
36V62.3Low68.3Low100 Ų100114.2 Ų114.261%0.60659%0.589SS**Hα-helixtrans-62.8-32178.1172.60000112F32 K34F32-V36 VanDerWaalsContact O-CG2 3.25Å; F32-V36 WeakPolarHBondContact O-CG2 3.44Å; F32-V36 PolarHBondContact O-N 3.09Å; K34-V36 VanDerWaalsContact C-N 3.34Å; K34-V36 PolarHBondContact O-N 2.92Å
37N63.5Low69.2Low145 Ų145116 Ų11678%0.77560%0.595SS**Hα-helixtrans-76.7-25.6179.1-166.839.5000113.2L33 K34 T35L33-N37 PolarHBondContact O-N 3.21Å; K34-N37 PolarHBondContact O-N 3Å; T35-N37 VanDerWaalsContact C-N 3.25Å; T35-N37 PolarHBondContact O-N 3.03Å
38E65.1Low70.2Confident164 Ų164116.2 Ų116.277%0.76659%0.592SS**Hα-helixtrans-95.5-30.9-175.3-68.6-179.9-176.800113.3K34 T35K34-E38 PolarHBondContact O-N 3.41Å; T35-E38 PolarHBondContact O-N 3.07Å
39Q59.9Low71.2Confident123 Ų123120 Ų12058%0.57561%0.614SS**SBendtrans-92.9126.6180-60.7-155.9-53.300110.4T35 V41T35-Q39 HydrophobicContact CG2-CG 4.34Å; T35-Q39 PolarHBondContact O-N 3.33Å; Q39-V41 HydrophobicContact CB-CG2 3.74Å; Q39-V41 WeakPolarHBondContact O-CG2 3.49Å; Q39-V41 PolarHBondContact O-N 3.34Å
40N59.3Low72.3Confident109 Ų109124.7 Ų124.758%0.58363%0.628SS**  trans-7480.8167.2-153-25.4000107.6Y42N40-Y42 HydrophobicContact CB-CD1 4.32Å; N40-Y42 HydrophobicContact CB-CE1 3.74Å; N40-Y42 HydrophobicContact CB-CE2 3.92Å; N40-Y42 VanDerWaalsContact CB-CZ 3.42Å; N40-Y42 WeakPolarHBondContact CB-OH 3.33Å; N40-Y42 VanDerWaalsContact CG-CD1 3.42Å; N40-Y42 WeakPolarHBondContact ND2-CE1 3.48Å; N40-Y42 PolarHBondContact ND2-OH 2.91Å; N40-Y42 WeakPolarHBondContact O-CD2 3.48Å; N40-Y42 VanDerWaalsContact O-CE2 3.24Å; N40-Y42 WeakPolarHBondContact O-CE2 3.4Å; N40-Y42 PolarHBondContact O-N 3Å; N40-Y42 WeakPolarHBondContact OD1-CD1 3.31Å; N40-Y42 WeakPolarHBondContact OD1-CE1 3.45Å
41V61Low73.4Confident85 Ų85123.7 Ų123.752%0.51562%0.623SS.*  trans-76.757.7-177-165.10000109.2Q39 E43Q39-V41 HydrophobicContact CB-CG2 3.74Å; Q39-V41 WeakPolarHBondContact O-CG2 3.49Å; Q39-V41 PolarHBondContact O-N 3.34Å; V41-E43 HydrophobicContact CG1-CB 4.33Å; V41-E43 PolarHBondContact O-N 3.27Å
42Y61.5Low74.5Confident177 Ų177120.8 Ų120.869%0.69461%0.613SS**  trans-86.831.1156.641.4-136.4000110.5N40 S44N40-Y42 HydrophobicContact CB-CD1 4.32Å; N40-Y42 HydrophobicContact CB-CE1 3.74Å; N40-Y42 HydrophobicContact CB-CE2 3.92Å; N40-Y42 VanDerWaalsContact CB-CZ 3.42Å; N40-Y42 WeakPolarHBondContact CB-OH 3.33Å; N40-Y42 VanDerWaalsContact CG-CD1 3.42Å; N40-Y42 WeakPolarHBondContact ND2-CE1 3.48Å; N40-Y42 PolarHBondContact ND2-OH 2.91Å; N40-Y42 WeakPolarHBondContact O-CD2 3.48Å; N40-Y42 VanDerWaalsContact O-CE2 3.24Å; N40-Y42 WeakPolarHBondContact O-CE2 3.4Å; N40-Y42 PolarHBondContact O-N 3Å; N40-Y42 WeakPolarHBondContact OD1-CD1 3.31Å; N40-Y42 WeakPolarHBondContact OD1-CE1 3.45Å; Y42-S44 PolarHBondContact O-N 3.33Å
43E67.1Low75.7Confident152 Ų152116.7 Ų116.771%0.7160%0.603SS**  trans-51.3121.8161.1-77.2-172.3170.200106.5V41 I45V41-E43 HydrophobicContact CG1-CB 4.33Å; V41-E43 PolarHBondContact O-N 3.27Å; E43-I45 PolarHBondContact O-N 3.22Å
44S70.1Confident76.8Confident110 Ų110116.2 Ų116.277%0.76960%0.596SS**  trans-51.8106.4-179.750.60000107.7Y42 H46Y42-S44 PolarHBondContact O-N 3.33Å; S44-H46 VanDerWaalsContact C-N 3.35Å; S44-H46 PolarHBondContact O-N 3.22Å
45I76.5Confident78Confident142 Ų142115.2 Ų115.273%0.72860%0.595SS**  trans-61.6103.8179.4-56.2174.4000105.6E43 L47E43-I45 PolarHBondContact O-N 3.22Å; I45-L47 VanDerWaalsContact C-N 3.35Å; I45-L47 HydrophobicContact CG2-CD2 4.49Å; I45-L47 HydrophobicContact CG2-CG 4.09Å; I45-L47 PolarHBondContact O-N 2.95Å
46H84.6Confident79.4Confident160 Ų160116.4 Ų116.474%0.74160%0.598SS**  trans-76.992.5179.5-177.8-84.7000107.5S44S44-H46 VanDerWaalsContact C-N 3.35Å; S44-H46 PolarHBondContact O-N 3.22Å
47L87Confident80.9Confident79 Ų79116.8 Ų116.841%0.41459%0.593SS.*  trans-80.8125.1176.9-74.2150.6000109.4I45 D51 I52 M55I45-L47 VanDerWaalsContact C-N 3.35Å; I45-L47 HydrophobicContact CG2-CD2 4.49Å; I45-L47 HydrophobicContact CG2-CG 4.09Å; I45-L47 PolarHBondContact O-N 2.95Å; L47-D51 HydrophobicContact CB-CB 4.5Å; L47-D51 HydrophobicContact CD2-CB 3.75Å; L47-I52 HydrophobicContact CB-CD1 4.43Å; L47-I52 HydrophobicContact CB-CG1 4.1Å; L47-M55 HydrophobicContact CD2-SD 4.13Å
48E93.1Very high82.3Confident106 Ų106113.9 Ų113.950%0.49558%0.577SS.*  trans-71.3154.7170.7-64.1-168.9167.400109.9E50 D51 I52E48-E50 PolarHBondContact O-N 3.44Å; E48-E50 VanDerWaalsContact O-N 3.15Å; E48-D51 WeakPolarHBondContact CB-OD2 3.44Å; E48-D51 PolarHBondContact N-OD2 2.98Å; E48-D51 WeakPolarHBondContact O-CB 3.39Å; E48-D51 PolarHBondContact O-N 3.44Å; E48-I52 PolarHBondContact O-N 3.2Å
49P93.1Very high83.6Confident114 Ų114109.3 Ų109.374%0.7457%0.574SS**Hα-helixtrans-58.3-27.8176.323-33.8000112.7S53P49-S53 PolarHBondContact O-N 3.1Å
50E94.8Very high85.3Confident146 Ų146111.1 Ų111.168%0.68258%0.58SS**Hα-helixtrans-65.3-44.5173.3-174.4168.7-173.800111.7E48 I52 S53 F54E48-E50 PolarHBondContact O-N 3.44Å; E48-E50 VanDerWaalsContact O-N 3.15Å; E50-I52 VanDerWaalsContact C-N 3.32Å; E50-I52 PolarHBondContact O-N 3.13Å; E50-S53 WeakPolarHBondContact O-CB 3.46Å; E50-S53 PolarHBondContact O-N 2.94Å; E50-S53 VanDerWaalsContact O-N 3.13Å; E50-F54 WeakPolarHBondContact O-CB 3.45Å; E50-F54 PolarHBondContact O-N 3Å
51D94.5Very high87Confident66 Ų66108.7 Ų108.735%0.35357%0.567SS.*Hα-helixtrans-59.7-44.3176.8-58.2-42.5000111.2L47 E48 S53 F54 M55L47-D51 HydrophobicContact CB-CB 4.5Å; L47-D51 HydrophobicContact CD2-CB 3.75Å; E48-D51 WeakPolarHBondContact CB-OD2 3.44Å; E48-D51 PolarHBondContact N-OD2 2.98Å; E48-D51 WeakPolarHBondContact O-CB 3.39Å; E48-D51 PolarHBondContact O-N 3.44Å; D51-S53 VanDerWaalsContact C-N 3.32Å; D51-S53 PolarHBondContact O-N 2.86Å; D51-F54 PolarHBondContact O-N 2.85Å; D51-M55 WeakPolarHBondContact O-CB 3.42Å; D51-M55 VanDerWaalsContact O-CG 3.31Å; D51-M55 WeakPolarHBondContact O-CG 3.25Å; D51-M55 PolarHBondContact O-N 3.26Å
52I94.9Very high88.7Confident84 Ų84107.9 Ų107.943%0.43156%0.562SS.*Hα-helixtrans-63.4-40.1177.9-60.3171.5000110.4L47 E48 E50 N56L47-I52 HydrophobicContact CB-CD1 4.43Å; L47-I52 HydrophobicContact CB-CG1 4.1Å; E48-I52 PolarHBondContact O-N 3.2Å; E50-I52 VanDerWaalsContact C-N 3.32Å; E50-I52 PolarHBondContact O-N 3.13Å; I52-N56 WeakPolarHBondContact O-CB 3.34Å; I52-N56 PolarHBondContact O-N 2.91Å; I52-N56 VanDerWaalsContact O-N 3.11Å; I52-N56 PolarHBondContact O-ND2 2.94Å
53S95.7Very high90.3Very high59 Ų59104.3 Ų104.341%0.41356%0.561SS.*Hα-helixtrans-62.1-47.9174.8-169.30000111P49 E50 D51 M55 N56 E57P49-S53 PolarHBondContact O-N 3.1Å; E50-S53 WeakPolarHBondContact O-CB 3.46Å; E50-S53 PolarHBondContact O-N 2.94Å; E50-S53 VanDerWaalsContact O-N 3.13Å; D51-S53 VanDerWaalsContact C-N 3.32Å; D51-S53 PolarHBondContact O-N 2.86Å; S53-M55 PolarHBondContact O-N 2.9Å; S53-N56 WeakPolarHBondContact O-CB 3.48Å; S53-N56 PolarHBondContact O-N 3.17Å; S53-E57 WeakPolarHBondContact O-CG 3.17Å; S53-E57 PolarHBondContact O-N 3.44Å
54F94.7Very high91.7Very high115 Ų115103 Ų10350%0.50456%0.559SS.*Hα-helixtrans-63.6-42-179.1-175.6-112.9000112.5E50 D51 N56 E57 L58E50-F54 WeakPolarHBondContact O-CB 3.45Å; E50-F54 PolarHBondContact O-N 3Å; D51-F54 PolarHBondContact O-N 2.85Å; F54-N56 VanDerWaalsContact C-N 3.32Å; F54-N56 PolarHBondContact O-N 3.19Å; F54-E57 WeakPolarHBondContact O-CB 3.32Å; F54-E57 PolarHBondContact O-N 3.33Å; F54-L58 PolarHBondContact O-N 3.42Å
55M94.1Very high92.9Very high115 Ų115102.3 Ų102.357%0.56754%0.543SS*.Hα-helixtrans-59.7-43173.4-73.8179.367.900111.9L47 D51 S53 E57 L58 G59L47-M55 HydrophobicContact CD2-SD 4.13Å; D51-M55 WeakPolarHBondContact O-CB 3.42Å; D51-M55 VanDerWaalsContact O-CG 3.31Å; D51-M55 WeakPolarHBondContact O-CG 3.25Å; D51-M55 PolarHBondContact O-N 3.26Å; S53-M55 PolarHBondContact O-N 2.9Å; M55-E57 VanDerWaalsContact C-N 3.33Å; M55-L58 PolarHBondContact O-N 2.88Å; M55-G59 PolarHBondContact O-N 3.4Å
56N94.9Very high93.9Very high93 Ų9397.9 Ų97.950%0.49752%0.523SS..Hα-helixtrans-67.3-33.4177.1-76.7-48.2000112.4I52 S53 F54 K60I52-N56 WeakPolarHBondContact O-CB 3.34Å; I52-N56 PolarHBondContact O-N 2.91Å; I52-N56 VanDerWaalsContact O-N 3.11Å; I52-N56 PolarHBondContact O-ND2 2.94Å; S53-N56 WeakPolarHBondContact O-CB 3.48Å; S53-N56 PolarHBondContact O-N 3.17Å; F54-N56 VanDerWaalsContact C-N 3.32Å; F54-N56 PolarHBondContact O-N 3.19Å; N56-K60 WeakPolarHBondContact O-CD 3.49Å; N56-K60 WeakPolarHBondContact O-CE 3.49Å; N56-K60 VanDerWaalsContact O-CG 3.23Å; N56-K60 WeakPolarHBondContact O-CG 3.27Å; N56-K60 PolarHBondContact O-N 3.43Å
57E94.3Very high94.5Very high109 Ų10995.1 Ų95.151%0.50951%0.512SS..Hα-helixtrans-66.8-46.2172.7-73.6176-165.700111.3S53 F54 M55 G59 K60S53-E57 WeakPolarHBondContact O-CG 3.17Å; S53-E57 PolarHBondContact O-N 3.44Å; F54-E57 WeakPolarHBondContact O-CB 3.32Å; F54-E57 PolarHBondContact O-N 3.33Å; M55-E57 VanDerWaalsContact C-N 3.33Å; E57-G59 VanDerWaalsContact C-N 3.33Å; E57-G59 PolarHBondContact O-N 3.01Å; E57-K60 PolarHBondContact O-N 2.91Å
58L91.6Very high95Very high84 Ų8495.8 Ų95.844%0.4452%0.515SS..Hα-helixtrans-61.5-40.3177.5-176.457.1000112F54 M55 K60 L61F54-L58 PolarHBondContact O-N 3.42Å; M55-L58 PolarHBondContact O-N 2.88Å; L58-K60 PolarHBondContact O-N 2.71Å; L58-L61 HydrophobicContact CD1-CD1 3.71Å; L58-L61 HydrophobicContact CD1-CG 4.5Å; L58-L61 WeakPolarHBondContact O-CB 3.45Å; L58-L61 WeakPolarHBondContact O-CG 3.31Å; L58-L61 PolarHBondContact O-N 2.87Å
59G93.8Very high95.1Very high68 Ų6893.7 Ų93.770%0.70151%0.505SS*.Hα-helixtrans-68.3-16.7178.100000114.9M55 E57M55-G59 PolarHBondContact O-N 3.4Å; E57-G59 VanDerWaalsContact C-N 3.33Å; E57-G59 PolarHBondContact O-N 3.01Å
60K95.5Very high95.2Very high161 Ų16192 Ų9270%0.749%0.49SS*.THydrogen-bonded Turntrans-87-10.8175.7-70.1164.9-170.6173.40113N56 E57 L58N56-K60 WeakPolarHBondContact O-CD 3.49Å; N56-K60 WeakPolarHBondContact O-CE 3.49Å; N56-K60 VanDerWaalsContact O-CG 3.23Å; N56-K60 WeakPolarHBondContact O-CG 3.27Å; N56-K60 PolarHBondContact O-N 3.43Å; E57-K60 PolarHBondContact O-N 2.91Å; L58-K60 PolarHBondContact O-N 2.71Å
61L95.2Very high95.4Very high57 Ų5790.3 Ų90.330%0.29848%0.48SS..  trans-69.8141.6-177.7-61.7-172.5000111.1L58 Q65 V66 Q69L58-L61 HydrophobicContact CD1-CD1 3.71Å; L58-L61 HydrophobicContact CD1-CG 4.5Å; L58-L61 WeakPolarHBondContact O-CB 3.45Å; L58-L61 WeakPolarHBondContact O-CG 3.31Å; L58-L61 PolarHBondContact O-N 2.87Å; L61-Q65 HydrophobicContact CB-CB 4Å; L61-Q65 HydrophobicContact CD2-CB 4.23Å; L61-Q65 HydrophobicContact CG-CB 4.49Å; L61-V66 HydrophobicContact CB-CG2 3.73Å; L61-V66 HydrophobicContact CD1-CG2 4.43Å; L61-Q69 HydrophobicContact CD1-CG 4.42Å
62T96.1Very high95.5Very high68 Ų6893.7 Ų93.742%0.41749%0.492SS..  trans-72.5160.1168.766.50000110.6D64 Q65 V66T62-D64 PolarHBondContact O-N 3.34Å; T62-Q65 WeakPolarHBondContact O-CB 3.37Å; T62-Q65 PolarHBondContact O-N 3.28Å; T62-Q65 WeakPolarHBondContact OG1-CG 3.07Å; T62-Q65 PolarHBondContact OG1-N 3.45Å; T62-V66 WeakPolarHBondContact O-CG2 3.4Å; T62-V66 PolarHBondContact O-N 2.84Å
63P95.4Very high95.6Very high103 Ų10395.4 Ų95.467%0.66950%0.499SS*.Hα-helixtrans-53-39.8178.4-28.135.9000113.7V66 M67P63-V66 PolarHBondContact O-N 2.74Å; P63-M67 WeakPolarHBondContact O-CG 3.43Å; P63-M67 PolarHBondContact O-N 3.47Å
64D96Very high95.7Very high125 Ų12598.5 Ų98.567%0.66851%0.507SS*.Hα-helixtrans-65-41.3177.1-62.2-26.2000111.8T62 M67 D68T62-D64 PolarHBondContact O-N 3.34Å; D64-M67 WeakPolarHBondContact O-CB 3.25Å; D64-M67 PolarHBondContact O-N 3.01Å; D64-D68 PolarHBondContact O-N 3.22Å
65Q96.3Very high95.9Very high95 Ų9597.9 Ų97.944%0.44451%0.506SS..Hα-helixtrans-66.9-36.9176.3-71.5173.9-22.900112.3L61 T62 M67 D68 Q69L61-Q65 HydrophobicContact CB-CB 4Å; L61-Q65 HydrophobicContact CD2-CB 4.23Å; L61-Q65 HydrophobicContact CG-CB 4.49Å; T62-Q65 WeakPolarHBondContact O-CB 3.37Å; T62-Q65 PolarHBondContact O-N 3.28Å; T62-Q65 WeakPolarHBondContact OG1-CG 3.07Å; T62-Q65 PolarHBondContact OG1-N 3.45Å; Q65-M67 VanDerWaalsContact C-N 3.33Å; Q65-D68 PolarHBondContact O-N 3.47Å; Q65-Q69 PolarHBondContact O-N 3.35Å
66V96.6Very high96.1Very high49 Ų4996.1 Ų96.130%0.29750%0.502SS..Hα-helixtrans-61-45.6173.2173.80000109.8L61 T62 P63 D68 Q69 I70L61-V66 HydrophobicContact CB-CG2 3.73Å; L61-V66 HydrophobicContact CD1-CG2 4.43Å; T62-V66 WeakPolarHBondContact O-CG2 3.4Å; T62-V66 PolarHBondContact O-N 2.84Å; P63-V66 PolarHBondContact O-N 2.74Å; V66-D68 VanDerWaalsContact C-N 3.32Å; V66-D68 PolarHBondContact O-N 2.89Å; V66-Q69 PolarHBondContact O-N 3.34Å; V66-I70 HydrophobicContact CG1-CD1 3.96Å; V66-I70 WeakPolarHBondContact O-CG1 3.21Å; V66-I70 PolarHBondContact O-N 3.1Å
67M96.5Very high96.2Very high102 Ų10294.6 Ų94.650%0.50250%0.502SS..Hα-helixtrans-60.3-41.4176.6-73.5-59.7-61.500112.3P63 D64 Q65 I70 K71P63-M67 WeakPolarHBondContact O-CG 3.43Å; P63-M67 PolarHBondContact O-N 3.47Å; D64-M67 WeakPolarHBondContact O-CB 3.25Å; D64-M67 PolarHBondContact O-N 3.01Å; Q65-M67 VanDerWaalsContact C-N 3.33Å; M67-I70 PolarHBondContact O-N 2.86Å; M67-I70 HydrophobicContact SD-CD1 4.42Å; M67-K71 WeakPolarHBondContact O-CG 3.49Å; M67-K71 PolarHBondContact O-N 2.86Å
68D97.1Very high96.3Very high92 Ų9296.8 Ų96.849%0.49251%0.507SS..Hα-helixtrans-68.7-35.2176.8-74.8-13.9000112.6D64 Q65 V66 K71 K72D64-D68 PolarHBondContact O-N 3.22Å; Q65-D68 PolarHBondContact O-N 3.47Å; V66-D68 VanDerWaalsContact C-N 3.32Å; V66-D68 PolarHBondContact O-N 2.89Å; D68-K71 PolarHBondContact O-N 2.93Å; D68-K71 IonicContact OD1-NZ 3.48Å; D68-K71 PolarHBondContact OD1-NZ 3.44Å; D68-K72 WeakPolarHBondContact O-CB 3.44Å; D68-K72 PolarHBondContact O-N 2.92Å
69Q95.8Very high96.7Very high62 Ų6295.6 Ų95.629%0.2950%0.501SS..Hα-helixtrans-64.4-42.3171.7-121.5-56.839.500111.6L61 Q65 V66 K71 K72 M73L61-Q69 HydrophobicContact CD1-CG 4.42Å; Q65-Q69 PolarHBondContact O-N 3.35Å; V66-Q69 PolarHBondContact O-N 3.34Å; Q69-K71 VanDerWaalsContact C-N 3.34Å; Q69-K71 PolarHBondContact O-N 3.28Å; Q69-K72 PolarHBondContact O-N 3.16Å; Q69-M73 WeakPolarHBondContact O-CB 3.33Å; Q69-M73 PolarHBondContact O-N 3.15Å
70I96.2Very high96.9Very high79 Ų7997.4 Ų97.441%0.40549%0.494SS..Hα-helixtrans-59.8-45.8176.4-68.7165.9000110.5V66 M67 K72 M73 Q74V66-I70 HydrophobicContact CG1-CD1 3.96Å; V66-I70 WeakPolarHBondContact O-CG1 3.21Å; V66-I70 PolarHBondContact O-N 3.1Å; M67-I70 PolarHBondContact O-N 2.86Å; M67-I70 HydrophobicContact SD-CD1 4.42Å; I70-K72 VanDerWaalsContact C-N 3.33Å; I70-K72 PolarHBondContact O-N 3.37Å; I70-M73 WeakPolarHBondContact O-CB 3.32Å; I70-M73 PolarHBondContact O-N 3.42Å; I70-Q74 HydrophobicContact CG2-CG 4.47Å; I70-Q74 VanDerWaalsContact O-CG 3.31Å; I70-Q74 WeakPolarHBondContact O-CG 3.5Å; I70-Q74 PolarHBondContact O-N 3.34Å
71K97.5Very high96.9Very high111 Ų11191.3 Ų91.348%0.48348%0.477SS..Hα-helixtrans-60.1-42.7175.5-68.8172.1-162.2155.60111.9M67 D68 Q69 Q74 Q75M67-K71 WeakPolarHBondContact O-CG 3.49Å; M67-K71 PolarHBondContact O-N 2.86Å; D68-K71 PolarHBondContact O-N 2.93Å; D68-K71 IonicContact OD1-NZ 3.48Å; D68-K71 PolarHBondContact OD1-NZ 3.44Å; Q69-K71 VanDerWaalsContact C-N 3.34Å; Q69-K71 PolarHBondContact O-N 3.28Å; K71-Q74 PolarHBondContact O-N 3.25Å; K71-Q75 WeakPolarHBondContact O-CB 3.32Å; K71-Q75 PolarHBondContact O-N 2.96Å
72K97.3Very high97Very high137 Ų13794.7 Ų94.760%0.59649%0.485SS*.Hα-helixtrans-61.6-44.9176.9-179-177.3175.8-174.50111.2D68 Q69 I70 Q75 T76D68-K72 WeakPolarHBondContact O-CB 3.44Å; D68-K72 PolarHBondContact O-N 2.92Å; Q69-K72 PolarHBondContact O-N 3.16Å; I70-K72 VanDerWaalsContact C-N 3.33Å; I70-K72 PolarHBondContact O-N 3.37Å; K72-Q75 PolarHBondContact O-N 2.87Å; K72-T76 PolarHBondContact O-N 3.38Å; K72-T76 PolarHBondContact O-OG1 3.29Å; K72-T76 VanDerWaalsContact O-OG1 3.1Å
73M98Very high97Very high119 Ų11996 Ų9659%0.58649%0.489SS*.Hα-helixtrans-59.8-46.6175.9-171.570.876.200111.2Q69 I70 Q75 T76 A77Q69-M73 WeakPolarHBondContact O-CB 3.33Å; Q69-M73 PolarHBondContact O-N 3.15Å; I70-M73 WeakPolarHBondContact O-CB 3.32Å; I70-M73 PolarHBondContact O-N 3.42Å; M73-Q75 VanDerWaalsContact C-N 3.33Å; M73-Q75 PolarHBondContact O-N 3.05Å; M73-T76 WeakPolarHBondContact O-CB 3.32Å; M73-T76 PolarHBondContact O-N 3.34Å; M73-A77 WeakPolarHBondContact O-CB 3.4Å; M73-A77 PolarHBondContact O-N 3.03Å
74Q97.6Very high97Very high124 Ų12496.4 Ų96.458%0.57948%0.482SS*.Hα-helixtrans-59.6-43.5175.9-72.7173.5-500111.7I70 K71 T76 A77 Y78I70-Q74 HydrophobicContact CG2-CG 4.47Å; I70-Q74 VanDerWaalsContact O-CG 3.31Å; I70-Q74 WeakPolarHBondContact O-CG 3.5Å; I70-Q74 PolarHBondContact O-N 3.34Å; K71-Q74 PolarHBondContact O-N 3.25Å; Q74-T76 VanDerWaalsContact C-N 3.34Å; Q74-T76 PolarHBondContact O-N 2.91Å; Q74-A77 PolarHBondContact O-N 3.01Å; Q74-Y78 WeakPolarHBondContact O-CB 3.19Å; Q74-Y78 PolarHBondContact O-N 2.96Å
75Q97.7Very high96.9Very high102 Ų10297.1 Ų97.148%0.47748%0.481SS..Hα-helixtrans-62.5-42176.7-172.863.649.200111.7K71 K72 M73 N79K71-Q75 WeakPolarHBondContact O-CB 3.32Å; K71-Q75 PolarHBondContact O-N 2.96Å; K72-Q75 PolarHBondContact O-N 2.87Å; M73-Q75 VanDerWaalsContact C-N 3.33Å; M73-Q75 PolarHBondContact O-N 3.05Å; Q75-N79 PolarHBondContact NE2-OD1 3.45Å; Q75-N79 VanDerWaalsContact O-CB 3.29Å; Q75-N79 WeakPolarHBondContact O-CB 3.29Å; Q75-N79 PolarHBondContact O-N 3.25Å; Q75-N79 PolarHBondContact O-ND2 2.75Å
76T98.3Very high96.8Very high79 Ų7998.9 Ų98.949%0.48549%0.489SS..Hα-helixtrans-62.3-48.1175.4-60.70000111.1K72 M73 Q74 Y78 N79 L80K72-T76 PolarHBondContact O-N 3.38Å; K72-T76 PolarHBondContact O-OG1 3.29Å; K72-T76 VanDerWaalsContact O-OG1 3.1Å; M73-T76 WeakPolarHBondContact O-CB 3.32Å; M73-T76 PolarHBondContact O-N 3.34Å; Q74-T76 VanDerWaalsContact C-N 3.34Å; Q74-T76 PolarHBondContact O-N 2.91Å; T76-Y78 PolarHBondContact O-N 3.49Å; T76-N79 PolarHBondContact O-N 3.25Å; T76-L80 WeakPolarHBondContact O-CB 3.42Å; T76-L80 PolarHBondContact O-N 3.48Å
77A97.6Very high96.7Very high61 Ų61101.8 Ų101.850%0.50450%0.5SS..Hα-helixtrans-61.4-43.7178.200000111.9M73 Q74 L80 G81M73-A77 WeakPolarHBondContact O-CB 3.4Å; M73-A77 PolarHBondContact O-N 3.03Å; Q74-A77 PolarHBondContact O-N 3.01Å; A77-L80 PolarHBondContact O-N 2.84Å; A77-G81 PolarHBondContact O-N 3.29Å
78Y97.3Very high96.4Very high154 Ų154100.9 Ų100.960%0.60450%0.497SS*.Hα-helixtrans-61.8-47.1175.6174.7-99.4000112.2Q74 T76 L80 G81 R82Q74-Y78 WeakPolarHBondContact O-CB 3.19Å; Q74-Y78 PolarHBondContact O-N 2.96Å; T76-Y78 PolarHBondContact O-N 3.49Å; Y78-L80 VanDerWaalsContact C-N 3.32Å; Y78-L80 PolarHBondContact O-N 3.48Å; Y78-G81 PolarHBondContact O-N 3.11Å; Y78-R82 PolarHBondContact O-N 3.41Å
79N98.2Very high96Very high59 Ų59106.3 Ų106.332%0.31651%0.51SS..Hα-helixtrans-62.6-41.1178-74.1-19000111.7Q75 T76 R82 I83Q75-N79 PolarHBondContact NE2-OD1 3.45Å; Q75-N79 VanDerWaalsContact O-CB 3.29Å; Q75-N79 WeakPolarHBondContact O-CB 3.29Å; Q75-N79 PolarHBondContact O-N 3.25Å; Q75-N79 PolarHBondContact O-ND2 2.75Å; T76-N79 PolarHBondContact O-N 3.25Å; N79-R82 PolarHBondContact O-N 3.14Å; N79-I83 WeakPolarHBondContact O-CG1 3.37Å; N79-I83 PolarHBondContact O-N 2.87Å; N79-I83 VanDerWaalsContact O-N 3.12Å
80L98.2Very high95.9Very high107 Ų107110.2 Ų110.256%0.5652%0.522SS*.Hα-helixtrans-61.2-50.2175.7-179.461.4000110.6T76 A77 Y78 R82 I83 E84T76-L80 WeakPolarHBondContact O-CB 3.42Å; T76-L80 PolarHBondContact O-N 3.48Å; A77-L80 PolarHBondContact O-N 2.84Å; Y78-L80 VanDerWaalsContact C-N 3.32Å; Y78-L80 PolarHBondContact O-N 3.48Å; L80-R82 VanDerWaalsContact C-N 3.28Å; L80-R82 PolarHBondContact O-N 3.33Å; L80-I83 PolarHBondContact O-N 2.91Å; L80-I83 VanDerWaalsContact O-N 3.11Å; L80-E84 WeakPolarHBondContact O-CB 3.33Å; L80-E84 PolarHBondContact O-N 3.04Å
81G96.6Very high95.6Very high33 Ų33106.8 Ų106.834%0.3451%0.506SS..Hα-helixtrans-58.4-3817800000113A77 Y78 E84 Q85A77-G81 PolarHBondContact O-N 3.29Å; Y78-G81 PolarHBondContact O-N 3.11Å; G81-E84 PolarHBondContact O-N 3.02Å; G81-Q85 WeakPolarHBondContact O-CB 3.38Å; G81-Q85 PolarHBondContact O-N 3.12Å
82R96.3Very high95.1Very high127 Ų127104.4 Ų104.448%0.47951%0.507SS..Hα-helixtrans-65.2-41.6175.7-171.5179.163.784.82.7112.6Y78 N79 L80 Q86Y78-R82 PolarHBondContact O-N 3.41Å; N79-R82 PolarHBondContact O-N 3.14Å; L80-R82 VanDerWaalsContact C-N 3.28Å; L80-R82 PolarHBondContact O-N 3.33Å; R82-Q86 PolarHBondContact O-N 2.78Å
83I97.6Very high94.7Very high96 Ų96104.8 Ų104.849%0.49252%0.515SS..Hα-helixtrans-68.4-44.9177.6-68.6166.9000109.9N79 L80 Q85 Q86 E87N79-I83 WeakPolarHBondContact O-CG1 3.37Å; N79-I83 PolarHBondContact O-N 2.87Å; N79-I83 VanDerWaalsContact O-N 3.12Å; L80-I83 PolarHBondContact O-N 2.91Å; L80-I83 VanDerWaalsContact O-N 3.11Å; I83-Q85 PolarHBondContact O-N 3Å; I83-Q86 WeakPolarHBondContact O-CB 3.46Å; I83-Q86 PolarHBondContact O-N 2.77Å; I83-E87 PolarHBondContact O-N 3.13Å
84E95Very high94.4Very high112 Ų112103.7 Ų103.752%0.52351%0.511SS..Hα-helixtrans-60.1-45.6177.6-174.8173.8-167.100111.2L80 G81 Q86 E87 L88L80-E84 WeakPolarHBondContact O-CB 3.33Å; L80-E84 PolarHBondContact O-N 3.04Å; G81-E84 PolarHBondContact O-N 3.02Å; E84-Q86 VanDerWaalsContact C-N 3.31Å; E84-Q86 PolarHBondContact O-N 3.22Å; E84-E87 PolarHBondContact O-N 2.97Å; E84-E87 VanDerWaalsContact O-N 3.13Å; E84-L88 HydrophobicContact CG-CD1 4.03Å; E84-L88 HydrophobicContact CG-CG 4.3Å; E84-L88 WeakPolarHBondContact O-CB 3.26Å; E84-L88 VanDerWaalsContact O-CG 3.28Å; E84-L88 WeakPolarHBondContact O-CG 3.5Å; E84-L88 PolarHBondContact O-N 3.48Å
85Q93.1Very high93.9Very high140 Ų140106.3 Ų106.365%0.65452%0.516SS*.Hα-helixtrans-59.3-41.2175.5-174.1-175.6700112.3G81 I83 E87 L88 R89G81-Q85 WeakPolarHBondContact O-CB 3.38Å; G81-Q85 PolarHBondContact O-N 3.12Å; I83-Q85 PolarHBondContact O-N 3Å; Q85-E87 VanDerWaalsContact C-N 3.34Å; Q85-L88 PolarHBondContact O-N 3.41Å; Q85-R89 WeakPolarHBondContact O-CB 3.42Å; Q85-R89 PolarHBondContact O-N 3.49Å
86Q93.9Very high93.4Very high131 Ų131106.1 Ų106.161%0.61252%0.522SS*.Hα-helixtrans-62.9-43.2176.4-179.7177.8-11.700111.2R82 I83 E84 R89 R90R82-Q86 PolarHBondContact O-N 2.78Å; I83-Q86 WeakPolarHBondContact O-CB 3.46Å; I83-Q86 PolarHBondContact O-N 2.77Å; E84-Q86 VanDerWaalsContact C-N 3.31Å; E84-Q86 PolarHBondContact O-N 3.22Å; Q86-R89 PolarHBondContact O-N 3.48Å; Q86-R90 PolarHBondContact O-N 3.38Å
87E94.8Very high92.6Very high111 Ų111104.1 Ų104.152%0.51951%0.508SS..Hα-helixtrans-71.4-36.8179.7-16458.3-15300111.9I83 E84 Q85 R89 R90 G91I83-E87 PolarHBondContact O-N 3.13Å; E84-E87 PolarHBondContact O-N 2.97Å; E84-E87 VanDerWaalsContact O-N 3.13Å; Q85-E87 VanDerWaalsContact C-N 3.34Å; E87-R89 PolarHBondContact O-N 3.35Å; E87-R90 CarbonylContact O-C 3.58Å; E87-R90 WeakPolarHBondContact O-CB 3.28Å; E87-R90 PolarHBondContact O-N 3.2Å; E87-R90 WeakPolarHBondContact OE1-CD 3.41Å; E87-R90 IonicContact OE1-NE 3.66Å; E87-G91 PolarHBondContact O-N 3.18Å
88L90.7Very high91.7Very high83 Ų83106.5 Ų106.544%0.43551%0.509SS..Hα-helixtrans-62.9-40.9172.7-72.7173.7000111.5E84 Q85 R90 G91 A92 L97E84-L88 HydrophobicContact CG-CD1 4.03Å; E84-L88 HydrophobicContact CG-CG 4.3Å; E84-L88 WeakPolarHBondContact O-CB 3.26Å; E84-L88 VanDerWaalsContact O-CG 3.28Å; E84-L88 WeakPolarHBondContact O-CG 3.5Å; E84-L88 PolarHBondContact O-N 3.48Å; Q85-L88 PolarHBondContact O-N 3.41Å; L88-R90 VanDerWaalsContact C-N 3.32Å; L88-R90 PolarHBondContact O-N 2.97Å; L88-G91 CarbonylContact O-C 3.59Å; L88-G91 PolarHBondContact O-N 3.33Å; L88-A92 WeakPolarHBondContact O-CB 3.44Å; L88-A92 PolarHBondContact O-N 3.12Å; L88-L97 HydrophobicContact CD2-CD1 3.96Å
89R89.2Confident90.6Very high205 Ų205106.6 Ų106.677%0.77452%0.519SS*.Hα-helixtrans-62.9-40.6174.6-177.3174.3180158.31.6111.6Q85 Q86 E87 A92 L93Q85-R89 WeakPolarHBondContact O-CB 3.42Å; Q85-R89 PolarHBondContact O-N 3.49Å; Q86-R89 PolarHBondContact O-N 3.48Å; E87-R89 PolarHBondContact O-N 3.35Å; R89-A92 PolarHBondContact O-N 3.11Å; R89-L93 PolarHBondContact O-N 3.18Å; R89-L93 VanDerWaalsContact O-N 3.09Å
90R92.1Very high89.3Confident144 Ų144110.3 Ų110.354%0.54354%0.536SS..Hα-helixtrans-63.8-43.7173175.9-178.5162.579.65.7110.7Q86 E87 L88 A92 L93 L94Q86-R90 PolarHBondContact O-N 3.38Å; E87-R90 CarbonylContact O-C 3.58Å; E87-R90 WeakPolarHBondContact O-CB 3.28Å; E87-R90 PolarHBondContact O-N 3.2Å; E87-R90 WeakPolarHBondContact OE1-CD 3.41Å; E87-R90 IonicContact OE1-NE 3.66Å; L88-R90 VanDerWaalsContact C-N 3.32Å; L88-R90 PolarHBondContact O-N 2.97Å; R90-A92 VanDerWaalsContact C-N 3.34Å; R90-A92 PolarHBondContact O-N 2.96Å; R90-L93 PolarHBondContact O-N 3.22Å; R90-L94 HydrophobicContact CG-CD1 4.01Å; R90-L94 WeakPolarHBondContact O-CG 3.38Å; R90-L94 PolarHBondContact O-N 2.64Å
91G90.1Very high87.5Confident7 Ų7111.1 Ų111.17%0.07254%0.541CS..Hα-helixtrans-60.6-41.4176.900000112.8E87 L88 L94 R95 V96E87-G91 PolarHBondContact O-N 3.18Å; L88-G91 CarbonylContact O-C 3.59Å; L88-G91 PolarHBondContact O-N 3.33Å; G91-L94 CarbonylContact O-C 3.46Å; G91-L94 PolarHBondContact O-N 3.47Å; G91-R95 PolarHBondContact O-N 3.41Å; G91-V96 WeakPolarHBondContact O-CG2 3.45Å; G91-V96 PolarHBondContact O-N 3.47Å; G91-V96 VanDerWaalsContact O-N 3.12Å
92A87.6Confident85.7Confident61 Ų61116.7 Ų116.750%0.50456%0.558SS.*Hα-helixtrans-63.8-43.4175.200000112L88 R89 R90 L94 R95L88-A92 WeakPolarHBondContact O-CB 3.44Å; L88-A92 PolarHBondContact O-N 3.12Å; R89-A92 PolarHBondContact O-N 3.11Å; R90-A92 VanDerWaalsContact C-N 3.34Å; R90-A92 PolarHBondContact O-N 2.96Å; A92-L94 VanDerWaalsContact C-N 3.27Å; A92-L94 PolarHBondContact O-N 2.97Å; A92-R95 PolarHBondContact O-N 3.28Å; A92-R95 VanDerWaalsContact O-N 3.14Å
93L88.9Confident83.7Confident146 Ų146116.7 Ų116.776%0.76457%0.574SS**Hα-helixtrans-62.6-36.4175.6-178.562.8000112.2R89 R90 R95R89-L93 PolarHBondContact O-N 3.18Å; R89-L93 VanDerWaalsContact O-N 3.09Å; R90-L93 PolarHBondContact O-N 3.22Å; L93-R95 VanDerWaalsContact C-N 3.29Å
94L92.3Very high81.6Confident96 Ų96116.3 Ų116.350%0.50358%0.58SS.*THydrogen-bonded Turntrans-85.91.3178.2-64176.3000113.5R90 G91 A92 V96R90-L94 HydrophobicContact CG-CD1 4.01Å; R90-L94 WeakPolarHBondContact O-CG 3.38Å; R90-L94 PolarHBondContact O-N 2.64Å; G91-L94 CarbonylContact O-C 3.46Å; G91-L94 PolarHBondContact O-N 3.47Å; A92-L94 VanDerWaalsContact C-N 3.27Å; A92-L94 PolarHBondContact O-N 2.97Å; L94-V96 HydrophobicContact CB-CG1 4.14Å; L94-V96 PolarHBondContact O-N 3.02Å; L94-V96 VanDerWaalsContact O-N 3.11Å
95R86.8Confident79.4Confident178 Ų178119.3 Ų119.367%0.67259%0.594SS**THydrogen-bonded Turntrans52.727.3-178.8-56.6-175-177.2-171.1-2114.6G91 A92 L93 L97 E98G91-R95 PolarHBondContact O-N 3.41Å; A92-R95 PolarHBondContact O-N 3.28Å; A92-R95 VanDerWaalsContact O-N 3.14Å; L93-R95 VanDerWaalsContact C-N 3.29Å; R95-L97 PolarHBondContact O-N 3.18Å; R95-E98 HydrophobicContact CB-CB 4.43Å; R95-E98 WeakPolarHBondContact CD-OE2 3.36Å; R95-E98 PolarHBondContact O-N 3.27Å
96V87.7Confident77.1Confident99 Ų99118.3 Ų118.360%0.660%0.602SS**THydrogen-bonded Turntrans-78.3-11176.5-60.20000112.6G91 L94G91-V96 WeakPolarHBondContact O-CG2 3.45Å; G91-V96 PolarHBondContact O-N 3.47Å; G91-V96 VanDerWaalsContact O-N 3.12Å; L94-V96 HydrophobicContact CB-CG1 4.14Å; L94-V96 PolarHBondContact O-N 3.02Å; L94-V96 VanDerWaalsContact O-N 3.11Å
97L80.6Confident75.1Confident37 Ų37119.2 Ų119.219%0.19461%0.61CS.*THydrogen-bonded Turntrans-100.51.2177.5-52.7178.1000112.3L88 R95 D99 M100 L101L88-L97 HydrophobicContact CD2-CD1 3.96Å; R95-L97 PolarHBondContact O-N 3.18Å; L97-D99 VanDerWaalsContact C-N 3.28Å; L97-D99 PolarHBondContact O-N 3.46Å; L97-M100 HydrophobicContact CD2-CE 4.2Å; L97-M100 HydrophobicContact CD2-SD 3.61Å; L97-M100 WeakPolarHBondContact O-CB 3.44Å; L97-M100 PolarHBondContact O-N 3.06Å; L97-L101 PolarHBondContact O-N 3.19Å
98E79.3Confident72.5Confident111 Ų111118.9 Ų118.952%0.51962%0.618SS.*THydrogen-bonded Turntrans-62.3-36.8-174.2-164.7162.4-163.100111.4R95 M100 L101R95-E98 HydrophobicContact CB-CB 4.43Å; R95-E98 WeakPolarHBondContact CD-OE2 3.36Å; R95-E98 PolarHBondContact O-N 3.27Å; E98-M100 VanDerWaalsContact C-N 3.26Å; E98-M100 PolarHBondContact O-N 3.42Å; E98-L101 PolarHBondContact O-N 3.34Å
99D74.4Confident70.3Confident155 Ų155124.1 Ų124.183%0.82964%0.639SS**THydrogen-bonded Turntrans-74.4-14.5175.3-58-17.2000113.4L97L97-D99 VanDerWaalsContact C-N 3.28Å; L97-D99 PolarHBondContact O-N 3.46Å
100M69.9Low68Low137 Ų137123.3 Ų123.368%0.67564%0.644SS**THydrogen-bonded Turntrans-88.7-24.4176.3-67.4176.840.300112.6L97 E98 E102L97-M100 HydrophobicContact CD2-CE 4.2Å; L97-M100 HydrophobicContact CD2-SD 3.61Å; L97-M100 WeakPolarHBondContact O-CB 3.44Å; L97-M100 PolarHBondContact O-N 3.06Å; E98-M100 VanDerWaalsContact C-N 3.26Å; E98-M100 PolarHBondContact O-N 3.42Å; M100-E102 VanDerWaalsContact C-N 3.31Å; M100-E102 PolarHBondContact O-N 3.5Å
101L61Low65.4Low124 Ų124124.6 Ų124.665%0.64966%0.657SS**SBendtrans-85.182.6169.1-72.7141.6000106.2L97 E98 P103L97-L101 PolarHBondContact O-N 3.19Å; E98-L101 PolarHBondContact O-N 3.34Å; L101-P103 VanDerWaalsContact O-N 3.15Å
102E59Low62.9Low151 Ų151129.7 Ų129.771%0.70669%0.691SS**  trans-43.4129.4158.5-74.9-67.1157.500107.1M100 S104M100-E102 VanDerWaalsContact C-N 3.31Å; M100-E102 PolarHBondContact O-N 3.5Å; E102-S104 PolarHBondContact O-N 2.81Å
103P52.7Low60.5Low126 Ų126132.6 Ų132.682%0.81870%0.702SS**  trans-69.676.1-167.823.9-30.7000110.7L101 E105L101-P103 VanDerWaalsContact O-N 3.15Å; P103-E105 PolarHBondContact O-N 3.09Å
104S53.9Low58.1Low88 Ų88133.8 Ų133.862%0.61570%0.704SS**  trans-85.6107.7169.260.70000107.5E102E102-S104 PolarHBondContact O-N 2.81Å
105E49Very low55.5Low175 Ų175137.4 Ų137.482%0.81872%0.716SS**  trans16113.2155.9-65179.2159.100116.7P103 I107P103-E105 PolarHBondContact O-N 3.09Å; E105-I107 PolarHBondContact O-N 3Å
106S45.5Very low53.1Low119 Ų119135.8 Ų135.883%0.83272%0.721SS**  trans-24102.9167.654.40000114.7P108S106-P108 WeakPolarHBondContact O-CD 3.42Å
107I52Low50.8Low150 Ų150138.5 Ų138.577%0.76973%0.726SS**  trans-81.5119.2163.7-57.5175.8000106.7E105 H109E105-I107 PolarHBondContact O-N 3Å; I107-H109 PolarHBondContact O-N 3.47Å
108P40Very low48.9Very low105 Ų105142.4 Ų142.468%0.68275%0.754SS**  trans-56.9133.2175.3-23.834.4000110.5S106 E110S106-P108 WeakPolarHBondContact O-CD 3.42Å; P108-E110 PolarHBondContact O-N 3.04Å
109H44.7Very low47.3Very low192 Ų192146 Ų14689%0.88977%0.773SS**  trans-54.298.9170.6-68.9-74.9000109.6I107 E111I107-H109 PolarHBondContact O-N 3.47Å; H109-E111 PolarHBondContact O-N 3.34Å
110E40.8Very low45.7Very low188 Ų188145.7 Ų145.788%0.87977%0.771SS**  trans-73.891.7160-69.9-147157.500107.3P108 S112P108-E110 PolarHBondContact O-N 3.04Å; E110-S112 VanDerWaalsContact C-N 3.33Å; E110-S112 PolarHBondContact O-N 2.86Å
111E37.2Very low44.2Very low171 Ų171143.8 Ų143.880%0.79977%0.771SS**  trans-55.398.8160.2-176.9175.2-175.200107.5H109 V113H109-E111 PolarHBondContact O-N 3.34Å; E111-V113 VanDerWaalsContact C-N 3.26Å; E111-V113 PolarHBondContact O-N 3.38Å
112S37.6Very low43Very low114 Ų114141.8 Ų141.880%0.79777%0.773SS**  trans-63.694.617045.10000108E110 E114E110-S112 VanDerWaalsContact C-N 3.33Å; E110-S112 PolarHBondContact O-N 2.86Å; S112-E114 PolarHBondContact O-N 2.98Å; S112-E114 VanDerWaalsContact O-N 3.08Å
113V37.2Very low42.4Very low122 Ų122141 Ų14174%0.73978%0.78SS**  trans-42.1112.1169.3171.10000108.8E111 K115E111-V113 VanDerWaalsContact C-N 3.26Å; E111-V113 PolarHBondContact O-N 3.38Å; V113-K115 PolarHBondContact O-N 2.9Å
114E37.5Very low41.8Very low171 Ų171141.2 Ų141.280%0.79978%0.78SS**  trans-54.2101.1167.4-174163.1172.500108.1S112 D116S112-E114 PolarHBondContact O-N 2.98Å; S112-E114 VanDerWaalsContact O-N 3.08Å; E114-D116 VanDerWaalsContact C-N 3.31Å; E114-D116 PolarHBondContact O-N 2.94Å
115K38.5Very low40.8Very low172 Ų172144 Ų14475%0.74879%0.788SS**  trans-74.493.3173.3-119.3178.9-177.4175.40107V113 H117V113-K115 PolarHBondContact O-N 2.9Å; K115-H117 PolarHBondContact O-N 2.9Å; K115-H117 PolarHBondContact O-ND1 3.14Å
116D36.1Very low40.4Very low145 Ų145140.8 Ų140.878%0.77578%0.784SS**  trans-41.1100.4164.3-81.6-52.6000109.8E114E114-D116 VanDerWaalsContact C-N 3.31Å; E114-D116 PolarHBondContact O-N 2.94Å
117H38.8Very low40Very low155 Ų155141 Ų14172%0.71878%0.781SS**  trans-93.3114.7160-70.974.8000105.5K115 M119K115-H117 PolarHBondContact O-N 2.9Å; K115-H117 PolarHBondContact O-ND1 3.14Å; H117-M119 PolarHBondContact O-N 2.88Å; H117-M119 VanDerWaalsContact O-N 3.14Å
118P42.7Very low39.5Very low119 Ų119138.7 Ų138.777%0.77379%0.785SS**  trans-60124179.324.2-31000108D120P118-D120 PolarHBondContact O-N 3.39Å
119M45.3Very low39.4Very low188 Ų188142.5 Ų142.593%0.92679%0.793SS**  trans-50.2101.2168-77.3-79-178.900108.3H117 S121H117-M119 PolarHBondContact O-N 2.88Å; H117-M119 VanDerWaalsContact O-N 3.14Å; M119-S121 PolarHBondContact O-N 3.39Å
120D40Very low39Very low147 Ų147141.9 Ų141.979%0.78679%0.791SS**  trans-66.8127.7168.4-160.4-4.1000107.5P118 A122P118-D120 PolarHBondContact O-N 3.39Å; D120-A122 PolarHBondContact O-N 3.14Å
121S39.5Very low39.1Very low97 Ų97138.4 Ų138.468%0.67878%0.784SS**  trans-37.9121.1-171.626.70000114.3M119M119-S121 PolarHBondContact O-N 3.39Å
122A35.7Very low39.4Very low82 Ų82135.8 Ų135.868%0.67879%0.785SS**  trans-55.2131166.700000110.3D120 T124D120-A122 PolarHBondContact O-N 3.14Å; A122-T124 PolarHBondContact O-N 3.01Å
123P45.8Very low39.6Very low134 Ų134136.8 Ų136.887%0.8779%0.787SS**  trans-68.7101.2165.6-9.224.8000108
124T39.2Very low40.3Very low131 Ų131136.9 Ų136.980%0.80479%0.79SS**  trans-68.4141.615546.60000108.6A122A122-T124 PolarHBondContact O-N 3.01Å
125D34.5Very low40.6Very low148 Ų148134 Ų13479%0.79179%0.789SS**  trans102.793.7162.4-157.628.4000116.4
126S39.5Very low40.6Very low106 Ų106132 Ų13274%0.74179%0.791SS**  -168.6113.6110.1-135.90000110.8A128S126-A128 PolarHBondContact O-N 2.82Å
127T37Very low41Very low124 Ų124134 Ų13476%0.76180%0.795SS**  trans-7.9102.3143.7-560000114.5
128A41.2Very low41.1Very low102 Ų102131 Ų13184%0.84380%0.798SS**  trans-101.8103.9162.300000108S126 E130S126-A128 PolarHBondContact O-N 2.82Å; A128-E130 PolarHBondContact O-N 3.08Å
129E39.4Very low40.9Very low185 Ų185132.4 Ų132.486%0.86480%0.804SS**  trans-65.3106.4176.4-159.9179.2151.800109.8
130E35.6Very low40.9Very low179 Ų179127.7 Ų127.784%0.83680%0.795SS**  trans-74.6151146.8-95-168.9143.200107.5A128A128-E130 PolarHBondContact O-N 3.08Å
131P41.8Very low41Very low115 Ų115128.1 Ų128.175%0.74780%0.797SS**  cis-140.8161.41737.7-18.3000114.7
132S44.5Very low41Very low116 Ų116129.6 Ų129.681%0.81181%0.806SS**  trans-159.3113.2143.646.10000111.3P134S132-P134 WeakPolarHBondContact O-CD 3.42Å
133T41.1Very low41.4Very low135 Ų135138.8 Ų138.883%0.82883%0.83SS**PPolyproline II helixtrans-67.4125.4166.944.70000110
134P51.7Low41.2Very low124 Ų124139 Ų13981%0.80583%0.828SS**PPolyproline II helixtrans-84.311715728-20.4000108.7S132S132-P134 WeakPolarHBondContact O-CD 3.42Å
135S44.2Very low41.3Very low111 Ų111139.4 Ų139.478%0.77683%0.83SS**PPolyproline II helixtrans-51.4136164.2-80.50000111.6
136T38.6Very low41.7Very low129 Ų129138.9 Ų138.979%0.79183%0.832SS**  trans8.6117.9131-50.60000116.7
137E45.1Very low41.8Very low186 Ų186140.9 Ų140.987%0.86984%0.837SS**  trans-177.1110.5138.1-102.1167.1-161.500107.7
138A39.9Very low42.1Very low93 Ų93141.9 Ų141.977%0.76984%0.842SS**  98.9115.189.500000111.7
139V39.4Very low42.2Very low149 Ų149144.6 Ų144.690%0.90384%0.842SS**  trans-46.6125.9170.1178.40000111.6
140A45.4Very low42.4Very low89 Ų89141.7 Ų141.774%0.73684%0.84SS**  trans-142.891161.900000110.7C142A140-C142 PolarHBondContact O-N 2.99Å
141N41Very low42.9Very low155 Ų155138.8 Ų138.883%0.82984%0.841SS**  trans-3.7110.8145.5-158.635.1000116.2
142C40.9Very low43Very low129 Ų129140.8 Ų140.887%0.87285%0.848SS**  trans-101.4115.3160.6-87.50000108.9A140A140-C142 PolarHBondContact O-N 2.99Å
143K44.5Very low42.9Very low274 Ų274143.1 Ų143.1100%1.19185%0.852SS**  trans-25.60171-104.9167.9169.2178.10117.3

Retrieved 143 of 143 residues in 123.6 ms (Link to these results)