A0A077ZHY2_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZHY2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 119 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
1M38.7Very low62.4Low212 Ų212147.3 Ų147.3100%1.04475%0.753SS**  0790-164.5172.8-166.600107.1I3M1-I3 HydrophobicContact CE-CG2 4.37Å; M1-I3 HydrophobicContact CG-CG1 4.32Å; M1-I3 HydrophobicContact CG-CG2 3.87Å; M1-I3 PolarHBondContact O-N 2.81Å; M1-I3 VanDerWaalsContact O-N 3.12Å
2E56Low63.7Low194 Ų194145.6 Ų145.691%0.90775%0.746SS**  trans-90.361.6-174.5-160.2174.7-146.300108.4W4E2-W4 VanDerWaalsContact C-N 3.26Å; E2-W4 PolarHBondContact O-N 3.46Å
3I57Low65Low107 Ų107149.2 Ų149.255%0.54975%0.753SS.*  trans-71.1-16.8-165.935.5164.6000113.6M1M1-I3 HydrophobicContact CE-CG2 4.37Å; M1-I3 HydrophobicContact CG-CG1 4.32Å; M1-I3 HydrophobicContact CG-CG2 3.87Å; M1-I3 PolarHBondContact O-N 2.81Å; M1-I3 VanDerWaalsContact O-N 3.12Å
4W56.9Low65.8Low182 Ų182142 Ų14269%0.68972%0.717SS**  trans-150.891.2-174.7-55.3101000113.1E2 H6E2-W4 VanDerWaalsContact C-N 3.26Å; E2-W4 PolarHBondContact O-N 3.46Å; W4-H6 VanDerWaalsContact C-N 3.26Å; W4-H6 PolarHBondContact O-N 3.46Å
5G55.2Low66.7Low66 Ų66141.7 Ų141.768%0.6872%0.718SS**THydrogen-bonded Turntrans-67.5-15.6179.800000116
6H64.7Low67.3Low202 Ų202134.3 Ų134.394%0.93568%0.683SS**THydrogen-bonded Turntrans-142.117.5-175.8-68.2-55.1000114.8W4W4-H6 VanDerWaalsContact C-N 3.26Å; W4-H6 PolarHBondContact O-N 3.46Å
7G58.9Low68Low50 Ų50136.5 Ų136.552%0.51570%0.697SS.*  trans-133140.1-176.500000113.1
8L73.8Confident68.8Low138 Ų138131.2 Ų131.272%0.72368%0.676SS**  trans-108.6137.9172.3-179.965.4000109W10L8-W10 HydrophobicContact CD2-CZ2 4.12Å
9V71.8Confident69.4Low108 Ų108128.3 Ų128.366%0.65567%0.674SS**  trans-107.6126.9174.1179.50000108.8I11V9-I11 HydrophobicContact CG1-CG1 4.31Å
10W74.4Confident70.1Confident202 Ų202128.4 Ų128.477%0.76568%0.68SS**  trans-104.6125.3172.1-65.859.3000107.9L8L8-W10 HydrophobicContact CD2-CZ2 4.12Å
11I78.9Confident70.7Confident159 Ų159126 Ų12682%0.81567%0.667SS**  trans-102.7107.6173.9-59.2174.3000107.5V9V9-I11 HydrophobicContact CG1-CG1 4.31Å
12N78.2Confident72.8Confident127 Ų127120.9 Ų120.968%0.67964%0.636SS**PPolyproline II helixtrans-93.8127.1175.3-70.9-0.7000109.8I14N12-I14 PolarHBondContact O-N 3.13Å
13K80.7Confident74.1Confident192 Ų192113.8 Ų113.884%0.83562%0.615SS**PPolyproline II helixtrans-76121.5171.9-173.3-176.7178.9-170.80109.3
14I76.4Confident75.3Confident49 Ų49118.2 Ų118.225%0.25163%0.625SS.*PPolyproline II helixtrans-97.9117.3174.7-57.8174.4000108.4N12 V16 R22 Y25 V26N12-I14 PolarHBondContact O-N 3.13Å; I14-V16 HydrophobicContact CG2-CB 4.45Å; I14-V16 HydrophobicContact CG2-CG2 3.57Å; I14-R22 PolarHBondContact O-NH1 3.3Å; I14-Y25 HydrophobicContact CD1-CD1 4.04Å; I14-Y25 HydrophobicContact CD1-CE1 4.28Å; I14-Y25 HydrophobicContact CG1-CD1 4.38Å; I14-Y25 HydrophobicContact CG1-CE1 4.23Å; I14-Y25 HydrophobicContact CG2-CD1 3.66Å; I14-Y25 HydrophobicContact CG2-CE1 3.87Å; I14-Y25 HydrophobicContact CG2-CG 4.05Å; I14-V26 HydrophobicContact CD1-CG2 3.74Å
15D78.4Confident76.5Confident137 Ų137114 Ų11473%0.73361%0.61SS**  trans-102.499.7174.3-159.813.1000109.7
16V76.4Confident77.8Confident24 Ų24114.1 Ų114.115%0.14560%0.597CS.*  trans-134.1131.3179175.90000107.1I14 A18 N21 R22 Y25I14-V16 HydrophobicContact CG2-CB 4.45Å; I14-V16 HydrophobicContact CG2-CG2 3.57Å; V16-A18 PolarHBondContact O-N 3.47Å; V16-N21 HydrophobicContact CG1-CB 3.47Å; V16-N21 VanDerWaalsContact CG1-CB 3.47Å; V16-R22 HydrophobicContact CB-CG 4.49Å; V16-Y25 HydrophobicContact CG2-CD2 3.63Å; V16-Y25 HydrophobicContact CG2-CE2 4.25Å; V16-Y25 HydrophobicContact CG2-CG 3.93Å
17D79.7Confident78.5Confident172 Ų172108.2 Ų108.292%0.9258%0.578SS**SBendtrans-52.7-31.9-167-56.5-28.8000114.9
18A82.4Confident79.5Confident40 Ų40112.4 Ų112.433%0.33158%0.582SS.*SBendtrans-128.1139.5-178.900000112.2V16 V20 N21V16-A18 PolarHBondContact O-N 3.47Å; A18-V20 PolarHBondContact O-N 3.29Å; A18-N21 PolarHBondContact O-N 3.31Å
19A80Confident79.6Confident77 Ų77110.2 Ų110.264%0.63657%0.565SS**Hα-helixtrans-56.8-35.7178.300000113N21 R22A19-N21 PolarHBondContact O-N 3.04Å; A19-R22 WeakPolarHBondContact O-CB 3.45Å; A19-R22 PolarHBondContact O-N 3Å
20V83Confident79.7Confident130 Ų130111.2 Ų111.279%0.78856%0.561SS**Hα-helixtrans-62.7-31.2178-177.30000112A18 R22A18-V20 PolarHBondContact O-N 3.29Å; V20-R22 VanDerWaalsContact C-N 3.34Å; V20-R22 PolarHBondContact O-N 3.41Å
21N82.9Confident79.4Confident77 Ų77106.4 Ų106.441%0.41255%0.55SS.*Hα-helixtrans-81.6-13.1-177.8-69.4-18.4000113.2V16 A18 A19 G23 R24 Y25V16-N21 HydrophobicContact CG1-CB 3.47Å; V16-N21 VanDerWaalsContact CG1-CB 3.47Å; A18-N21 PolarHBondContact O-N 3.31Å; A19-N21 PolarHBondContact O-N 3.04Å; N21-G23 PolarHBondContact O-N 3.24Å; N21-R24 PolarHBondContact O-N 3.36Å; N21-Y25 PolarHBondContact O-N 3.23Å
22R82.8Confident78.8Confident106 Ų106104.9 Ų104.940%0.454%0.538SS..Hα-helixtrans-63.1-42.7-178.7-64177.5-176.7-83.3-8111.8I14 V16 A19 V20 R24 Y25 V26I14-R22 PolarHBondContact O-NH1 3.3Å; V16-R22 HydrophobicContact CB-CG 4.49Å; A19-R22 WeakPolarHBondContact O-CB 3.45Å; A19-R22 PolarHBondContact O-N 3Å; V20-R22 VanDerWaalsContact C-N 3.34Å; V20-R22 PolarHBondContact O-N 3.41Å; R22-R24 PolarHBondContact O-N 2.99Å; R22-Y25 WeakPolarHBondContact O-CB 3.5Å; R22-Y25 PolarHBondContact O-N 3.21Å; R22-V26 WeakPolarHBondContact O-CG2 3.22Å; R22-V26 PolarHBondContact O-N 3.5Å
23G83.1Confident78Confident45 Ų45103.1 Ų103.146%0.46453%0.528SS..Hα-helixtrans-60-46.7177.200000112.1N21 Y25 V26 S27N21-G23 PolarHBondContact O-N 3.24Å; G23-Y25 VanDerWaalsContact C-N 3.33Å; G23-Y25 PolarHBondContact O-N 3.01Å; G23-V26 PolarHBondContact O-N 3.33Å; G23-S27 PolarHBondContact O-N 3.49Å; G23-S27 PolarHBondContact O-OG 3.23Å
24R82.7Confident77.1Confident200 Ų20097 Ų9776%0.75550%0.504SS*.Hα-helixtrans-61.5-39.5176-172-179.6-179.4-152.41.6112.4N21 R22 K28N21-R24 PolarHBondContact O-N 3.36Å; R22-R24 PolarHBondContact O-N 2.99Å; R24-K28 VanDerWaalsContact O-CB 3.28Å; R24-K28 WeakPolarHBondContact O-CB 3.28Å; R24-K28 PolarHBondContact O-N 3.48Å
25Y82.2Confident76.2Confident94 Ų94100.6 Ų100.637%0.36952%0.524SS..Hα-helixtrans-60.7-50.1174.7-174.9-81.1000110.8I14 V16 N21 R22 G23 K28 Y29I14-Y25 HydrophobicContact CD1-CD1 4.04Å; I14-Y25 HydrophobicContact CD1-CE1 4.28Å; I14-Y25 HydrophobicContact CG1-CD1 4.38Å; I14-Y25 HydrophobicContact CG1-CE1 4.23Å; I14-Y25 HydrophobicContact CG2-CD1 3.66Å; I14-Y25 HydrophobicContact CG2-CE1 3.87Å; I14-Y25 HydrophobicContact CG2-CG 4.05Å; V16-Y25 HydrophobicContact CG2-CD2 3.63Å; V16-Y25 HydrophobicContact CG2-CE2 4.25Å; V16-Y25 HydrophobicContact CG2-CG 3.93Å; N21-Y25 PolarHBondContact O-N 3.23Å; R22-Y25 WeakPolarHBondContact O-CB 3.5Å; R22-Y25 PolarHBondContact O-N 3.21Å; G23-Y25 VanDerWaalsContact C-N 3.33Å; G23-Y25 PolarHBondContact O-N 3.01Å; Y25-K28 PolarHBondContact O-N 3.03Å; Y25-Y29 AromaticContact CD1-CD2 3.76Å; Y25-Y29 HydrophobicContact CD1-CD2 3.76Å; Y25-Y29 HydrophobicContact CD1-CE2 4.29Å; Y25-Y29 AromaticContact CD2-CD2 3.84Å; Y25-Y29 HydrophobicContact CD2-CD2 3.84Å; Y25-Y29 AromaticContact CD2-CE2 3.5Å; Y25-Y29 HydrophobicContact CD2-CE2 3.5Å; Y25-Y29 VanDerWaalsContact CD2-CE2 3.5Å; Y25-Y29 AromaticContact CE1-CD2 3.59Å; Y25-Y29 HydrophobicContact CE1-CD2 3.59Å; Y25-Y29 HydrophobicContact CE1-CE2 4.08Å; Y25-Y29 HydrophobicContact CE1-CG 4.44Å; Y25-Y29 AromaticContact CE2-CD2 3.68Å; Y25-Y29 HydrophobicContact CE2-CD2 3.68Å; Y25-Y29 AromaticContact CE2-CE2 3.25Å; Y25-Y29 HydrophobicContact CE2-CE2 3.25Å; Y25-Y29 AromaticContact CG-CD2 3.87Å; Y25-Y29 HydrophobicContact CG-CD2 3.87Å; Y25-Y29 HydrophobicContact CG-CE2 4.01Å; Y25-Y29 AromaticContact CZ-CD2 3.53Å; Y25-Y29 AromaticContact CZ-CE2 3.55Å; Y25-Y29 VanDerWaalsContact O-CD2 3.22Å; Y25-Y29 WeakPolarHBondContact O-CD2 3.44Å; Y25-Y29 PolarHBondContact O-N 2.75Å; Y25-Y29 VanDerWaalsContact O-N 3.13Å
26V81.7Confident75.3Confident67 Ų67100 Ų10041%0.40652%0.52SS..Hα-helixtrans-58.6-52.2179.2175.10000110.7I14 R22 G23 K28 Y29 F30I14-V26 HydrophobicContact CD1-CG2 3.74Å; R22-V26 WeakPolarHBondContact O-CG2 3.22Å; R22-V26 PolarHBondContact O-N 3.5Å; G23-V26 PolarHBondContact O-N 3.33Å; V26-K28 VanDerWaalsContact C-N 3.31Å; V26-K28 PolarHBondContact O-N 3.32Å; V26-Y29 PolarHBondContact O-N 3.38Å; V26-F30 HydrophobicContact CG1-CB 4.38Å; V26-F30 WeakPolarHBondContact O-CA 3.45Å; V26-F30 WeakPolarHBondContact O-CB 3.43Å; V26-F30 PolarHBondContact O-N 2.86Å
27S81.2Confident74.4Confident78 Ų78106.6 Ų106.655%0.54555%0.546SS..Hα-helixtrans-59.4-40179.3-58.70000113G23 Y29G23-S27 PolarHBondContact O-N 3.49Å; G23-S27 PolarHBondContact O-OG 3.23Å; S27-Y29 PolarHBondContact O-N 2.64Å
28K78.4Confident73.2Confident138 Ų138102.9 Ų102.960%0.652%0.523SS*.Hα-helixtrans-65.2-38.1-179.2-177.7176.3177.7-177.20113.2R24 Y25 V26 K32R24-K28 VanDerWaalsContact O-CB 3.28Å; R24-K28 WeakPolarHBondContact O-CB 3.28Å; R24-K28 PolarHBondContact O-N 3.48Å; Y25-K28 PolarHBondContact O-N 3.03Å; V26-K28 VanDerWaalsContact C-N 3.31Å; V26-K28 PolarHBondContact O-N 3.32Å; K28-K32 WeakPolarHBondContact O-CB 3.4Å
29Y77.4Confident71.9Confident92 Ų92108.2 Ų108.236%0.36154%0.541SS..Hα-helixtrans-99.2-24.6-175.6-66-71.5000113.7Y25 V26 S27 D33Y25-Y29 AromaticContact CD1-CD2 3.76Å; Y25-Y29 HydrophobicContact CD1-CD2 3.76Å; Y25-Y29 HydrophobicContact CD1-CE2 4.29Å; Y25-Y29 AromaticContact CD2-CD2 3.84Å; Y25-Y29 HydrophobicContact CD2-CD2 3.84Å; Y25-Y29 AromaticContact CD2-CE2 3.5Å; Y25-Y29 HydrophobicContact CD2-CE2 3.5Å; Y25-Y29 VanDerWaalsContact CD2-CE2 3.5Å; Y25-Y29 AromaticContact CE1-CD2 3.59Å; Y25-Y29 HydrophobicContact CE1-CD2 3.59Å; Y25-Y29 HydrophobicContact CE1-CE2 4.08Å; Y25-Y29 HydrophobicContact CE1-CG 4.44Å; Y25-Y29 AromaticContact CE2-CD2 3.68Å; Y25-Y29 HydrophobicContact CE2-CD2 3.68Å; Y25-Y29 AromaticContact CE2-CE2 3.25Å; Y25-Y29 HydrophobicContact CE2-CE2 3.25Å; Y25-Y29 AromaticContact CG-CD2 3.87Å; Y25-Y29 HydrophobicContact CG-CD2 3.87Å; Y25-Y29 HydrophobicContact CG-CE2 4.01Å; Y25-Y29 AromaticContact CZ-CD2 3.53Å; Y25-Y29 AromaticContact CZ-CE2 3.55Å; Y25-Y29 VanDerWaalsContact O-CD2 3.22Å; Y25-Y29 WeakPolarHBondContact O-CD2 3.44Å; Y25-Y29 PolarHBondContact O-N 2.75Å; Y25-Y29 VanDerWaalsContact O-N 3.13Å; V26-Y29 PolarHBondContact O-N 3.38Å; S27-Y29 PolarHBondContact O-N 2.64Å; Y29-D33 PolarHBondContact O-N 3.15Å; Y29-D33 VanDerWaalsContact O-N 3.14Å
30F73Confident70.9Confident129 Ų129113.6 Ų113.657%0.56655%0.55SS**Hα-helixtrans-65-50.4177.2-173.8-102.3000111.6V26 K32 L34V26-F30 HydrophobicContact CG1-CB 4.38Å; V26-F30 WeakPolarHBondContact O-CA 3.45Å; V26-F30 WeakPolarHBondContact O-CB 3.43Å; V26-F30 PolarHBondContact O-N 2.86Å; F30-K32 VanDerWaalsContact C-N 3.33Å; F30-K32 PolarHBondContact O-N 3.45Å; F30-L34 HydrophobicContact CD1-CD1 3.63Å; F30-L34 HydrophobicContact CE1-CD1 3.41Å; F30-L34 VanDerWaalsContact CE1-CD1 3.41Å; F30-L34 HydrophobicContact CG-CD1 4.37Å; F30-L34 HydrophobicContact CZ-CD1 3.98Å; F30-L34 WeakPolarHBondContact O-CD1 2.95Å; F30-L34 WeakPolarHBondContact O-CG 3.02Å; F30-L34 PolarHBondContact O-N 2.88Å; F30-L34 VanDerWaalsContact O-N 3.17Å
31D67.7Low69.7Low102 Ų102115.3 Ų115.355%0.54555%0.547SS..Hα-helixtrans-66.7-36177.2-76.6-6.7000111.9D33 L34 D35D31-D33 PolarHBondContact O-N 3.41Å; D31-L34 WeakPolarHBondContact O-CB 3.44Å; D31-L34 PolarHBondContact O-N 3.14Å; D31-D35 PolarHBondContact O-N 3.15Å
32K67Low68.6Low126 Ų126120.2 Ų120.255%0.54857%0.565SS.*Hα-helixtrans-66.3-39.8-177.5-161.7-174.2-177.9-157.60112.4K28 F30 I36K28-K32 WeakPolarHBondContact O-CB 3.4Å; F30-K32 VanDerWaalsContact C-N 3.33Å; F30-K32 PolarHBondContact O-N 3.45Å; K32-I36 WeakPolarHBondContact O-CG1 3.4Å; K32-I36 PolarHBondContact O-N 3.24Å
33D61Low67.4Low90 Ų90118.2 Ų118.248%0.48157%0.571SS.*Hα-helixtrans-75.2-29.5176.2-79.5-9.5000112.1Y29 D31 K37Y29-D33 PolarHBondContact O-N 3.15Å; Y29-D33 VanDerWaalsContact O-N 3.14Å; D31-D33 PolarHBondContact O-N 3.41Å; D33-K37 WeakPolarHBondContact O-CB 3.5Å; D33-K37 WeakPolarHBondContact O-CG 3.45Å; D33-K37 PolarHBondContact O-N 3.2Å; D33-K37 VanDerWaalsContact O-N 3.15Å
34L61.3Low66.3Low63 Ų63121.9 Ų121.933%0.3358%0.575SS.*Hα-helixtrans-61.8-52.5169.7-80.7160.2000110.2F30 D31 I36 K37 E38F30-L34 HydrophobicContact CD1-CD1 3.63Å; F30-L34 HydrophobicContact CE1-CD1 3.41Å; F30-L34 VanDerWaalsContact CE1-CD1 3.41Å; F30-L34 HydrophobicContact CG-CD1 4.37Å; F30-L34 HydrophobicContact CZ-CD1 3.98Å; F30-L34 WeakPolarHBondContact O-CD1 2.95Å; F30-L34 WeakPolarHBondContact O-CG 3.02Å; F30-L34 PolarHBondContact O-N 2.88Å; F30-L34 VanDerWaalsContact O-N 3.17Å; D31-L34 WeakPolarHBondContact O-CB 3.44Å; D31-L34 PolarHBondContact O-N 3.14Å; L34-I36 VanDerWaalsContact C-N 3.27Å; L34-I36 PolarHBondContact O-N 2.91Å; L34-I36 VanDerWaalsContact O-N 3.15Å; L34-K37 PolarHBondContact O-N 2.78Å; L34-K37 VanDerWaalsContact O-N 3.14Å; L34-E38 WeakPolarHBondContact CD2-OE2 3.41Å; L34-E38 WeakPolarHBondContact O-CA 3.4Å; L34-E38 WeakPolarHBondContact O-CB 3.5Å; L34-E38 PolarHBondContact O-N 3.02Å
35D59Low65.5Low126 Ų126122.9 Ų122.967%0.67459%0.585SS**Hα-helixtrans-55.3-39.4-178.3-98-16000113.2D31 H39D31-D35 PolarHBondContact O-N 3.15Å; D35-H39 WeakPolarHBondContact O-CB 3.5Å; D35-H39 PolarHBondContact O-N 3.15Å
36I59.6Low64.6Low125 Ų125126.4 Ų126.464%0.64160%0.602SS**Hα-helixtrans-77.1-37.4-178.6-60.9163.8000111.8K32 L34K32-I36 WeakPolarHBondContact O-CG1 3.4Å; K32-I36 PolarHBondContact O-N 3.24Å; L34-I36 VanDerWaalsContact C-N 3.27Å; L34-I36 PolarHBondContact O-N 2.91Å; L34-I36 VanDerWaalsContact O-N 3.15Å
37K57.2Low64Low161 Ų161126.8 Ų126.870%0.761%0.608SS**Hα-helixtrans-84.6-25-179.6-72.8179.6179.4171.90113.4D33 L34D33-K37 WeakPolarHBondContact O-CB 3.5Å; D33-K37 WeakPolarHBondContact O-CG 3.45Å; D33-K37 PolarHBondContact O-N 3.2Å; D33-K37 VanDerWaalsContact O-N 3.15Å; L34-K37 PolarHBondContact O-N 2.78Å; L34-K37 VanDerWaalsContact O-N 3.14Å
38E54.3Low63.2Low94 Ų94128 Ų12844%0.43961%0.605SS.*Hα-helixtrans-99.4-15.4-169-161.3152-148.400113.3L34 K40 K41L34-E38 WeakPolarHBondContact CD2-OE2 3.41Å; L34-E38 WeakPolarHBondContact O-CA 3.4Å; L34-E38 WeakPolarHBondContact O-CB 3.5Å; L34-E38 PolarHBondContact O-N 3.02Å; E38-K40 PolarHBondContact O-N 3.26Å; E38-K41 PolarHBondContact O-N 3.14Å; E38-K41 VanDerWaalsContact O-N 3.15Å
39H54.9Low63Low152 Ų152129.2 Ų129.270%0.70462%0.618SS**THydrogen-bonded Turntrans-6574.6166.9-167.879.2000110.6D35D35-H39 WeakPolarHBondContact O-CB 3.5Å; D35-H39 PolarHBondContact O-N 3.15Å
40K58.5Low62.8Low191 Ų191130.9 Ų130.983%0.8363%0.632SS**THydrogen-bonded Turntrans139.6-6.1168.5-77.4163.5-171.2-173.70114.8E38E38-K40 PolarHBondContact O-N 3.26Å
41K57Low63.2Low165 Ų165134.7 Ų134.772%0.71765%0.648SS**  trans-10098.9174.1-71.1-168180-177.50109.9E38 A43E38-K41 PolarHBondContact O-N 3.14Å; E38-K41 VanDerWaalsContact O-N 3.15Å; K41-A43 PolarHBondContact O-N 3.17Å; K41-A43 VanDerWaalsContact O-N 3.11Å
42K60.6Low64Low180 Ų180137.6 Ų137.678%0.78366%0.663SS**  trans-57.4115.7173.7-67.4-175.2176.8-177.50109.4F44K42-F44 PolarHBondContact O-N 3.47Å; K42-F44 VanDerWaalsContact O-N 3.13Å
43A58.2Low64.9Low65 Ų65136.1 Ų136.154%0.53767%0.667SS.*  trans-55.3116.8164.500000108.4K41 F45K41-A43 PolarHBondContact O-N 3.17Å; K41-A43 VanDerWaalsContact O-N 3.11Å; A43-F45 PolarHBondContact O-N 2.79Å; A43-F45 VanDerWaalsContact O-N 3.13Å
44F60.1Low66.3Low122 Ų122143.1 Ų143.154%0.53569%0.686SS.*  trans-76.5106-174.2-59.4-71.1000109.7K42 K46 Q48K42-F44 PolarHBondContact O-N 3.47Å; K42-F44 VanDerWaalsContact O-N 3.13Å; F44-K46 VanDerWaalsContact CB-O 3.3Å; F44-K46 WeakPolarHBondContact CB-O 3.32Å; F44-K46 PolarHBondContact O-N 2.8Å; F44-Q48 HydrophobicContact CB-CG 3.94Å; F44-Q48 VanDerWaalsContact CD1-CD 3.45Å; F44-Q48 HydrophobicContact CD1-CG 3.79Å; F44-Q48 VanDerWaalsContact CD2-CD 3.41Å; F44-Q48 HydrophobicContact CD2-CG 3.77Å; F44-Q48 VanDerWaalsContact CE1-CD 3.42Å; F44-Q48 HydrophobicContact CE1-CG 4.27Å; F44-Q48 HydrophobicContact CE2-CG 4.22Å; F44-Q48 VanDerWaalsContact CG-CD 3.47Å; F44-Q48 HydrophobicContact CG-CG 3.53Å; F44-Q48 HydrophobicContact CZ-CG 4.45Å
45F65.2Low67.8Low220 Ų220147.1 Ų147.197%0.96570%0.703SS**SBendtrans-62.6-3.7171.8-68.5-77.5000114.2A43A43-F45 PolarHBondContact O-N 2.79Å; A43-F45 VanDerWaalsContact O-N 3.13Å
46K62.9Low69.5Low168 Ų168145.8 Ų145.873%0.7370%0.7SS**SBendtrans-131.2142.6173.162.3-175.9-177.9-179.10108.1F44 Q48F44-K46 VanDerWaalsContact CB-O 3.3Å; F44-K46 WeakPolarHBondContact CB-O 3.32Å; F44-K46 PolarHBondContact O-N 2.8Å; K46-Q48 PolarHBondContact O-N 2.97Å
47S69.6Low71.1Confident76 Ų76148.8 Ų148.853%0.53171%0.708SS.*  trans-53.8117.8170.3470000109.5L50S47-L50 WeakPolarHBondContact OG-CD1 3.4Å
48Q65.1Low72.8Confident104 Ų104151.7 Ų151.749%0.48672%0.715SS.*THydrogen-bonded Turntrans-71.4136.4166.3-62.6-160.6-45.300107.9F44 K46 L50F44-Q48 HydrophobicContact CB-CG 3.94Å; F44-Q48 VanDerWaalsContact CD1-CD 3.45Å; F44-Q48 HydrophobicContact CD1-CG 3.79Å; F44-Q48 VanDerWaalsContact CD2-CD 3.41Å; F44-Q48 HydrophobicContact CD2-CG 3.77Å; F44-Q48 VanDerWaalsContact CE1-CD 3.42Å; F44-Q48 HydrophobicContact CE1-CG 4.27Å; F44-Q48 HydrophobicContact CE2-CG 4.22Å; F44-Q48 VanDerWaalsContact CG-CD 3.47Å; F44-Q48 HydrophobicContact CG-CG 3.53Å; F44-Q48 HydrophobicContact CZ-CG 4.45Å; K46-Q48 PolarHBondContact O-N 2.97Å; Q48-L50 PolarHBondContact O-N 3.11Å
49N72.4Confident74.6Confident163 Ų163155.8 Ų155.887%0.87274%0.739SS**THydrogen-bonded Turntrans74.58.4172.8-45.2-40000117.6
50L74.8Confident76.3Confident126 Ų126152.8 Ų152.866%0.6673%0.731SS**PPolyproline II helixtrans-82.9136.8165.6-67.4-173.2000110.9S47 Q48 L52S47-L50 WeakPolarHBondContact OG-CD1 3.4Å; Q48-L50 PolarHBondContact O-N 3.11Å; L50-L52 PolarHBondContact O-N 2.9Å
51K80.1Confident77.9Confident209 Ų209153.4 Ų153.491%0.90974%0.737SS**PPolyproline II helixtrans-69.3118.6173-68-179.7-179.8176.60109
52L84Confident79.4Confident163 Ų163153.9 Ų153.985%0.85374%0.739SS**PPolyproline II helixtrans-62145.1173.4-74.6158.7000110.5L50L50-L52 PolarHBondContact O-N 2.9Å
53P86.4Confident80.6Confident96 Ų96155.2 Ų155.262%0.62375%0.745SS**PPolyproline II helixtrans-65.2147.6174.528.6-34.1000110.8E55P53-E55 PolarHBondContact O-N 2.83Å
54R90.9Very high81.9Confident236 Ų236158.2 Ų158.289%0.89175%0.751SS**  trans-82.1114.4174.1-173.9179.373-177.73.8109.4
55E93.1Very high83Confident148 Ų148156.3 Ų156.369%0.69275%0.746SS**  trans-103.4139.3176.3-64.2-177.4-17300111P53P53-E55 PolarHBondContact O-N 2.83Å
56T93.3Very high83.9Confident97 Ų97149.4 Ų149.460%0.59572%0.716SS**  trans-138.1128.2174.4-57.40000109R58T56-R58 HydrophobicContact CG2-CG 4.31Å
57K94.2Very high84.9Confident188 Ų188149.2 Ų149.282%0.81772%0.717SS**  trans-111.6132.8179-60178.5-175.8176.50108.4
58R92Very high85.6Confident222 Ų222152.4 Ų152.484%0.83873%0.728SS**  trans-135.1138.8178.8-66.5-175.7178.2-178.1-1.6109.4T56T56-R58 HydrophobicContact CG2-CG 4.31Å
59L93Very high86.7Confident180 Ų180152.3 Ų152.394%0.94273%0.726SS**  trans-96.9124.1169.7-176.465000107.9
60T91.3Very high87.6Confident89 Ų89148.2 Ų148.255%0.54671%0.705SS.*  trans-143136.8-176.9-47.50000108.9K62T60-K62 HydrophobicContact CG2-CB 4.21Å; T60-K62 WeakPolarHBondContact CG2-O 3.39Å
61E91Very high88.4Confident205 Ų205144.9 Ų144.996%0.95869%0.689SS**SBendtrans-74.7-35.4174.1-62.7174.7179.900112
62K89.2Confident89Confident175 Ų175139.4 Ų139.476%0.76167%0.669SS**SBendtrans-79.8141.8178-61.5-175-178.5-178.30111.3T60T60-K62 HydrophobicContact CG2-CB 4.21Å; T60-K62 WeakPolarHBondContact CG2-O 3.39Å
63K85.8Confident89.5Confident207 Ų207137 Ų13790%0.965%0.653SS**PPolyproline II helixtrans-64.3138.2169.8-68.5179.6-178.2173.10109.6N65K63-N65 PolarHBondContact O-N 3.47Å
64I84.8Confident89.9Confident129 Ų129135.2 Ų135.266%0.66264%0.642SS**PPolyproline II helixtrans-67.1122.5175.1-60.5173000108K66I64-K66 PolarHBondContact O-N 3.13Å
65N84.1Confident90.1Very high82 Ų82126 Ų12644%0.43961%0.612SS.*PPolyproline II helixtrans-67127.4170.5-167.60.3000109K63 E67K63-N65 PolarHBondContact O-N 3.47Å; N65-E67 PolarHBondContact ND2-OE2 3.13Å; N65-E67 WeakPolarHBondContact OD1-CB 3.2Å; N65-E67 VanDerWaalsContact OD1-CD 3.28Å; N65-E67 WeakPolarHBondContact OD1-CG 3.4Å; N65-E67 PolarHBondContact OD1-N 3Å; N65-E67 PolarHBondContact OD1-OE2 2.87Å
66K83.4Confident90.3Very high75 Ų75122.9 Ų122.933%0.32660%0.6SS.*  trans-107.4-1.5-179.6-64.7177.4-175176.80113I64 D68 F69 T108I64-K66 PolarHBondContact O-N 3.13Å; K66-D68 VanDerWaalsContact C-N 3.27Å; K66-D68 PolarHBondContact O-N 2.88Å; K66-F69 PolarHBondContact O-N 2.85Å; K66-F69 VanDerWaalsContact O-N 3.17Å; K66-T108 HydrophobicContact CD-CG2 4.28Å; K66-T108 PolarHBondContact NZ-OG1 3.34Å
67E83.7Confident90.5Very high164 Ų164123.9 Ų123.977%0.76659%0.594SS**THydrogen-bonded Turntrans-60.7-35.4-175.9-70.5163.4179.500112.6N65 F69N65-E67 PolarHBondContact ND2-OE2 3.13Å; N65-E67 WeakPolarHBondContact OD1-CB 3.2Å; N65-E67 VanDerWaalsContact OD1-CD 3.28Å; N65-E67 WeakPolarHBondContact OD1-CG 3.4Å; N65-E67 PolarHBondContact OD1-N 3Å; N65-E67 PolarHBondContact OD1-OE2 2.87Å; E67-F69 VanDerWaalsContact C-N 3.26Å; E67-F69 PolarHBondContact O-N 3.45Å
68D84.9Confident90.6Very high142 Ų142120.7 Ų120.776%0.75958%0.584SS**THydrogen-bonded Turntrans-78.2-4.3-179.7-59.4-36.7000114K66K66-D68 VanDerWaalsContact C-N 3.27Å; K66-D68 PolarHBondContact O-N 2.88Å
69F88.3Confident90.8Very high102 Ų102116.5 Ų116.545%0.44757%0.569SS.*SBendtrans-109.5138.3-173.6-65.3-78.9000112.2K66 E67 V71 I110K66-F69 PolarHBondContact O-N 2.85Å; K66-F69 VanDerWaalsContact O-N 3.17Å; E67-F69 VanDerWaalsContact C-N 3.26Å; E67-F69 PolarHBondContact O-N 3.45Å; F69-V71 HydrophobicContact CB-CG2 4.49Å; F69-V71 PolarHBondContact O-N 2.76Å; F69-I110 HydrophobicContact CB-CD1 4.03Å; F69-I110 HydrophobicContact CB-CG1 4.23Å; F69-I110 HydrophobicContact CB-CG2 3.88Å; F69-I110 HydrophobicContact CD1-CD1 4.06Å; F69-I110 HydrophobicContact CD1-CG2 3.94Å; F69-I110 HydrophobicContact CD2-CD1 4.45Å; F69-I110 HydrophobicContact CG-CD1 3.93Å; F69-I110 HydrophobicContact CG-CG2 4.28Å
70D90.9Very high90.9Very high77 Ų77114.3 Ų114.341%0.41255%0.551SS.*  trans-73.192.2169-176.32.9000110.2L72 I110 K111D70-L72 PolarHBondContact O-N 2.83Å; D70-I110 CarbonylContact O-C 3.59Å; D70-I110 WeakPolarHBondContact O-CA 3.35Å; D70-K111 HydrophobicContact CB-CB 4.06Å; D70-K111 PolarHBondContact O-N 2.99Å; D70-K111 WeakPolarHBondContact OD2-CD 2.97Å; D70-K111 IonicContact OD2-NZ 3.47Å
71V92Very high91.1Very high56 Ų56112.4 Ų112.434%0.33954%0.54SS..EExtended strand (participates in β ladder)trans-81.1111.7-179.4176.10000110.4F69 T108 I110F69-V71 HydrophobicContact CB-CG2 4.49Å; F69-V71 PolarHBondContact O-N 2.76Å; V71-T108 HydrophobicContact CB-CG2 4.25Å; V71-T108 HydrophobicContact CG1-CG2 3.48Å; V71-T108 VanDerWaalsContact CG1-CG2 3.48Å; V71-T108 HydrophobicContact CG2-CG2 3.77Å; V71-I110 HydrophobicContact CG2-CG1 4.42Å
72L92.9Very high91.3Very high94 Ų94106 Ų10649%0.49252%0.516SS..EExtended strand (participates in β ladder)trans-77.6-35.9175.9-63176.9000112.8D70 K109 K111D70-L72 PolarHBondContact O-N 2.83Å; L72-K109 HydrophobicContact CB-CG 4.41Å; L72-K109 HydrophobicContact CD1-CD 4.45Å; L72-K109 HydrophobicContact CD1-CG 4.39Å; L72-K109 PolarHBondContact N-O 3.01Å; L72-K111 HydrophobicContact CD1-CB 3.93Å; L72-K111 HydrophobicContact CD1-CG 4.25Å; L72-K111 HydrophobicContact CD2-CB 3.97Å; L72-K111 HydrophobicContact CD2-CD 4.27Å; L72-K111 HydrophobicContact CD2-CG 4.28Å; L72-K111 HydrophobicContact CG-CB 3.84Å; L72-K111 HydrophobicContact CG-CG 4.48Å
73F93.6Very high91.5Very high114 Ų114102.2 Ų102.250%0.550%0.5SS..EExtended strand (participates in β ladder)trans-157.6141.7-175.6-179.3-105.8000110.4T75 T108 K109F73-T75 WeakPolarHBondContact CE1-OG1 3.3Å; F73-T75 WeakPolarHBondContact CZ-OG1 3.45Å; F73-T108 CarbonylContact O-C 3.57Å; F73-T108 WeakPolarHBondContact O-CA 3.17Å; F73-K109 HydrophobicContact CB-CB 4.07Å; F73-K109 PolarHBondContact N-O 3.39Å; F73-K109 PolarHBondContact O-N 3.17Å
74S95.1Very high91.8Very high58 Ų5899.4 Ų99.441%0.40649%0.488SS..EExtended strand (participates in β ladder)trans-143.3129.5174-168.80000110T106 Y107 T108S74-T106 WeakPolarHBondContact OG-CG2 3.2Å; S74-Y107 CarbonylContact C-O 3.57Å; S74-Y107 VanDerWaalsContact CA-O 3.29Å; S74-Y107 WeakPolarHBondContact CA-O 3.42Å; S74-T108 PolarHBondContact OG-OG1 2.84Å; S74-T108 VanDerWaalsContact OG-OG1 3.11Å
75T96.2Very high92.1Very high42 Ų4295.5 Ų95.526%0.25847%0.468SS..EExtended strand (participates in β ladder)trans-142.5144.8178.4-69.50000111F73 Y77 Y107F73-T75 WeakPolarHBondContact CE1-OG1 3.3Å; F73-T75 WeakPolarHBondContact CZ-OG1 3.45Å; T75-Y77 HydrophobicContact CG2-CD2 4.11Å; T75-Y77 HydrophobicContact CG2-CE1 4.33Å; T75-Y77 HydrophobicContact CG2-CE2 3.5Å; T75-Y107 PolarHBondContact N-O 3.33Å; T75-Y107 PolarHBondContact O-N 3.2Å
76N96.8Very high92.4Very high82 Ų8296.1 Ų96.144%0.43948%0.475SS..EExtended strand (participates in β ladder)trans-97.6138.6178.9-61.7-52.7000110.1K104 V105 T106N76-K104 HydrophobicContact CB-CG 4.45Å; N76-K104 VanDerWaalsContact CG-CE 3.44Å; N76-V105 CarbonylContact C-O 3.57Å; N76-V105 WeakPolarHBondContact CA-O 3.43Å; N76-T106 WeakPolarHBondContact OD1-CB 2.84Å; N76-T106 WeakPolarHBondContact OD1-CG2 3.4Å; N76-T106 PolarHBondContact OD1-OG1 3.34Å
77Y96.6Very high92.8Very high119 Ų11995.2 Ų95.247%0.46748%0.476SS..EExtended strand (participates in β ladder)trans-129.7153.8176.1-62-96.1000109.4T75 V105 Y107T75-Y77 HydrophobicContact CG2-CD2 4.11Å; T75-Y77 HydrophobicContact CG2-CE1 4.33Å; T75-Y77 HydrophobicContact CG2-CE2 3.5Å; Y77-V105 PolarHBondContact N-O 2.78Å; Y77-V105 WeakPolarHBondContact O-CG2 3.45Å; Y77-V105 PolarHBondContact O-N 3.43Å; Y77-Y107 AromaticContact CD2-CD2 3.43Å; Y77-Y107 HydrophobicContact CD2-CD2 3.43Å; Y77-Y107 VanDerWaalsContact CD2-CD2 3.43Å; Y77-Y107 HydrophobicContact CD2-CE2 4Å; Y77-Y107 HydrophobicContact CD2-CG 4.29Å; Y77-Y107 AromaticContact CE2-CD2 3.85Å; Y77-Y107 HydrophobicContact CE2-CD2 3.85Å; Y77-Y107 HydrophobicContact CE2-CG 4.29Å; Y77-Y107 HydrophobicContact CG-CD2 4.3Å; Y77-Y107 HydrophobicContact CG-CE2 4.47Å
78I97.1Very high93.1Very high120 Ų12091.9 Ų91.962%0.61546%0.462SS*.EExtended strand (participates in β ladder)trans-91.6122170.8-58.8173.5000107.1E102I78-E102 HydrophobicContact CG2-CB 3.93Å; I78-E102 HydrophobicContact CG2-CG 3.94Å
79R95.7Very high93.3Very high134 Ų13487.9 Ų87.951%0.50644%0.441SS..EExtended strand (participates in β ladder)trans-106.2120.3174.6179-167.466.2-179.63108.7T81 S103 V105R79-T81 PolarHBondContact NE-OG1 3.06Å; R79-S103 PolarHBondContact N-O 3.47Å; R79-S103 PolarHBondContact NE-OG 3.27Å; R79-S103 PolarHBondContact NH2-OG 3.01Å; R79-S103 PolarHBondContact O-N 3.41Å; R79-S103 PolarHBondContact O-OG 3.32Å; R79-V105 HydrophobicContact CB-CG1 3.84Å; R79-V105 HydrophobicContact CB-CG2 4.07Å
80K96.1Very high93.4Very high134 Ų13490.7 Ų90.758%0.58346%0.461SS*.EExtended strand (participates in β ladder)trans-83.4122.4168.8-70.1-179.3176.1-169.30109.4F100 E101 E102K80-F100 HydrophobicContact CB-CB 4.39Å; K80-F100 HydrophobicContact CB-CD1 4Å; K80-E101 CarbonylContact C-O 3.53Å; K80-E101 WeakPolarHBondContact CA-O 3.42Å; K80-E102 WeakPolarHBondContact CE-OE1 3.43Å; K80-E102 HydrophobicContact CG-CG 3.92Å; K80-E102 IonicContact NZ-OE1 3.63Å; K80-E102 PolarHBondContact NZ-OE1 2.84Å
81T94.1Very high93.4Very high50 Ų5092.9 Ų92.931%0.30747%0.469SS..EExtended strand (participates in β ladder)trans-113.3130.4176.1-47.40000108.1R79 K83 F100 E101R79-T81 PolarHBondContact NE-OG1 3.06Å; T81-K83 PolarHBondContact O-N 3Å; T81-F100 WeakPolarHBondContact O-CA 3.29Å; T81-E101 PolarHBondContact N-O 2.83Å; T81-E101 PolarHBondContact O-N 3.42Å
82P95.6Very high93.1Very high71 Ų7196.3 Ų96.346%0.46149%0.485SS..EExtended strand (participates in β ladder)trans-66133.2175.528.2-33.9000110F84 E99 F100P82-F84 HydrophobicContact CB-CE2 4.26Å; P82-F84 HydrophobicContact CB-CZ 4.21Å; P82-E99 CarbonylContact C-O 3.57Å; P82-E99 WeakPolarHBondContact CA-O 3.45Å; P82-F100 HydrophobicContact CB-CD1 4.46Å; P82-F100 HydrophobicContact CB-CE1 4.19Å
83K93.5Very high93Very high95 Ų9599.5 Ų99.541%0.41349%0.49SS..EExtended strand (participates in β ladder)trans-121.2121.6174.7-171.4179.9-172.7-178.70107.9T81 L85 E99T81-K83 PolarHBondContact O-N 3Å; K83-L85 HydrophobicContact CD-CD2 4.07Å; K83-L85 HydrophobicContact CD-CG 4.49Å; K83-L85 HydrophobicContact CG-CD2 4.19Å; K83-L85 HydrophobicContact CG-CG 4.4Å; K83-E99 PolarHBondContact N-O 3.32Å; K83-E99 PolarHBondContact O-N 2.97Å
84F92.7Very high92.8Very high147 Ų147101.5 Ų101.565%0.64550%0.499SS*.EExtended strand (participates in β ladder)trans-96.7115.3177.4-58.4-77.7000108.4P82P82-F84 HydrophobicContact CB-CE2 4.26Å; P82-F84 HydrophobicContact CB-CZ 4.21Å
85L90.6Very high92.6Very high48 Ų48102.6 Ų102.625%0.25150%0.498SS..EExtended strand (participates in β ladder)trans-104.5143.5178.4-63.9173.6000109.1K83 V87 Q96 V97 E99K83-L85 HydrophobicContact CD-CD2 4.07Å; K83-L85 HydrophobicContact CD-CG 4.49Å; K83-L85 HydrophobicContact CG-CD2 4.19Å; K83-L85 HydrophobicContact CG-CG 4.4Å; L85-V87 HydrophobicContact CB-CG1 4.18Å; L85-Q96 CarbonylContact O-C 3.58Å; L85-Q96 VanDerWaalsContact O-CA 3.32Å; L85-Q96 WeakPolarHBondContact O-CA 3.35Å; L85-V97 PolarHBondContact N-O 2.7Å; L85-V97 PolarHBondContact O-N 2.83Å; L85-E99 HydrophobicContact CD1-CG 4.22Å; L85-E99 WeakPolarHBondContact CD1-OE2 2.9Å
86T90.8Very high92.3Very high94 Ų94108.1 Ų108.158%0.57752%0.521SS*.EExtended strand (participates in β ladder)trans-98.8110.7166.9-54.70000107.4F94 E95T86-F94 HydrophobicContact CG2-CB 3.73Å; T86-F94 HydrophobicContact CG2-CD1 3.79Å; T86-F94 HydrophobicContact CG2-CG 4.08Å; T86-E95 WeakPolarHBondContact CA-O 3.35Å
87V91.6Very high92Very high57 Ų57106.8 Ų106.835%0.34552%0.516SS..EExtended strand (participates in β ladder)trans-113.2151.2-179.1-61.50000109.7L85 F94 E95 V97L85-V87 HydrophobicContact CB-CG1 4.18Å; V87-F94 CarbonylContact O-C 3.58Å; V87-F94 WeakPolarHBondContact O-CA 3.44Å; V87-E95 PolarHBondContact N-O 2.92Å; V87-E95 PolarHBondContact O-N 2.78Å; V87-V97 HydrophobicContact CG2-CB 4.23Å; V87-V97 HydrophobicContact CG2-CG2 3.46Å; V87-V97 VanDerWaalsContact CG2-CG2 3.46Å
88L91Very high91.7Very high93 Ų93103.6 Ų103.649%0.48752%0.519SS..EExtended strand (participates in β ladder)trans-85.2120.8172.7-161.180.1000108N92 F94L88-N92 HydrophobicContact CD2-CB 4.48Å; L88-N92 WeakPolarHBondContact CD2-OD1 3.38Å; L88-F94 HydrophobicContact CD1-CD1 3.99Å; L88-F94 HydrophobicContact CD1-CE1 3.85Å; L88-F94 HydrophobicContact CD1-CE2 4.41Å; L88-F94 HydrophobicContact CD1-CG 4.36Å; L88-F94 HydrophobicContact CD1-CZ 4.07Å
89N88.1Confident91.5Very high59 Ų59102.8 Ų102.832%0.31651%0.512SS..  trans-81.6171.5174.8-161.26.9000110.9E91 N92 R93 E95N89-E91 PolarHBondContact O-N 2.78Å; N89-N92 PolarHBondContact O-N 3.3Å; N89-R93 PolarHBondContact N-O 3.28Å; N89-E95 HydrophobicContact CB-CG 4.15Å; N89-E95 PolarHBondContact ND2-OE1 2.87Å; N89-E95 PolarHBondContact ND2-OE2 3.11Å
90D90.6Very high91.4Very high161 Ų161103.3 Ų103.386%0.86152%0.519SS*.THydrogen-bonded Turntrans-55.8-24-178.4-66.2-26000113.5N92D90-N92 VanDerWaalsContact C-N 3.27Å; D90-N92 PolarHBondContact O-N 3.46Å
91E91.3Very high91.3Very high123 Ų123102.1 Ų102.158%0.57552%0.515SS*.THydrogen-bonded Turntrans-84.311.2175.5-58.8-170.4164.400114.2N89 R93N89-E91 PolarHBondContact O-N 2.78Å; E91-R93 HydrophobicContact CB-CG 4.29Å; E91-R93 PolarHBondContact O-N 3.12Å; E91-R93 IonicContact OE2-CZ 3.35Å; E91-R93 IonicContact OE2-NE 3.76Å; E91-R93 IonicContact OE2-NH1 2.81Å; E91-R93 PolarHBondContact OE2-NH1 2.87Å
92N85.9Confident91.5Very high128 Ų128105.3 Ų105.368%0.68453%0.527SS*.SBendtrans5629.4-171.5-67-42.3000113.9L88 N89 D90L88-N92 HydrophobicContact CD2-CB 4.48Å; L88-N92 WeakPolarHBondContact CD2-OD1 3.38Å; N89-N92 PolarHBondContact O-N 3.3Å; D90-N92 VanDerWaalsContact C-N 3.27Å; D90-N92 PolarHBondContact O-N 3.46Å
93R90.1Very high91.4Very high160 Ų160103.4 Ų103.460%0.60452%0.515SS*.  trans-104.3140.6175.7-67.6-179.6178.6156.74.4110N89 E91 E95N89-R93 PolarHBondContact N-O 3.28Å; E91-R93 HydrophobicContact CB-CG 4.29Å; E91-R93 PolarHBondContact O-N 3.12Å; E91-R93 IonicContact OE2-CZ 3.35Å; E91-R93 IonicContact OE2-NE 3.76Å; E91-R93 IonicContact OE2-NH1 2.81Å; E91-R93 PolarHBondContact OE2-NH1 2.87Å; R93-E95 PolarHBondContact O-N 2.83Å
94F90Very high91.4Very high157 Ų157106.3 Ų106.369%0.68953%0.528SS*.EExtended strand (participates in β ladder)trans-76.1120.7173.8-68.7-70.6000110.1T86 V87 L88T86-F94 HydrophobicContact CG2-CB 3.73Å; T86-F94 HydrophobicContact CG2-CD1 3.79Å; T86-F94 HydrophobicContact CG2-CG 4.08Å; V87-F94 CarbonylContact O-C 3.58Å; V87-F94 WeakPolarHBondContact O-CA 3.44Å; L88-F94 HydrophobicContact CD1-CD1 3.99Å; L88-F94 HydrophobicContact CD1-CE1 3.85Å; L88-F94 HydrophobicContact CD1-CE2 4.41Å; L88-F94 HydrophobicContact CD1-CG 4.36Å; L88-F94 HydrophobicContact CD1-CZ 4.07Å
95E90Very high91.5Very high81 Ų81100.8 Ų100.838%0.37951%0.506SS..EExtended strand (participates in β ladder)trans-116.5144.5174.8-70-176.4-17400110.6T86 V87 N89 R93T86-E95 WeakPolarHBondContact CA-O 3.35Å; V87-E95 PolarHBondContact N-O 2.92Å; V87-E95 PolarHBondContact O-N 2.78Å; N89-E95 HydrophobicContact CB-CG 4.15Å; N89-E95 PolarHBondContact ND2-OE1 2.87Å; N89-E95 PolarHBondContact ND2-OE2 3.11Å; R93-E95 PolarHBondContact O-N 2.83Å
96Q90.2Very high91.7Very high157 Ų157101.7 Ų101.773%0.73451%0.513SS*.EExtended strand (participates in β ladder)trans-87.7116.5172.1-71.5-172.42000109.7L85L85-Q96 CarbonylContact O-C 3.58Å; L85-Q96 VanDerWaalsContact O-CA 3.32Å; L85-Q96 WeakPolarHBondContact O-CA 3.35Å
97V90.7Very high91.8Very high55 Ų55104.4 Ų104.433%0.33351%0.514SS..EExtended strand (participates in β ladder)trans-106.8129.8174.1177.50000108.8L85 V87 E99L85-V97 PolarHBondContact N-O 2.7Å; L85-V97 PolarHBondContact O-N 2.83Å; V87-V97 HydrophobicContact CG2-CB 4.23Å; V87-V97 HydrophobicContact CG2-CG2 3.46Å; V87-V97 VanDerWaalsContact CG2-CG2 3.46Å; V97-E99 HydrophobicContact CG1-CG 4.19Å
98G91.1Very high91.9Very high52 Ų52103.6 Ų103.654%0.53651%0.509SS..EExtended strand (participates in β ladder)trans-90.4110.8173.100000110.3
99E92.3Very high92Very high102 Ų102105.6 Ų105.648%0.47751%0.514SS..EExtended strand (participates in β ladder)trans-106.5167.6170-66.6-172.4176.300110.6P82 K83 L85 V97P82-E99 CarbonylContact C-O 3.57Å; P82-E99 WeakPolarHBondContact CA-O 3.45Å; K83-E99 PolarHBondContact N-O 3.32Å; K83-E99 PolarHBondContact O-N 2.97Å; L85-E99 HydrophobicContact CD1-CG 4.22Å; L85-E99 WeakPolarHBondContact CD1-OE2 2.9Å; V97-E99 HydrophobicContact CG1-CG 4.19Å
100F94Very high92.3Very high145 Ų145106.3 Ų106.364%0.63652%0.517SS*.EExtended strand (participates in β ladder)trans-113.5125.8171.5-73.4-88.4000109.8K80 T81 P82K80-F100 HydrophobicContact CB-CB 4.39Å; K80-F100 HydrophobicContact CB-CD1 4Å; T81-F100 WeakPolarHBondContact O-CA 3.29Å; P82-F100 HydrophobicContact CB-CD1 4.46Å; P82-F100 HydrophobicContact CB-CE1 4.19Å
101E94.3Very high92.3Very high110 Ų110103.5 Ų103.551%0.51450%0.497SS..EExtended strand (participates in β ladder)trans-93.6129170.5-175.5173.1-157.200109.8K80 T81K80-E101 CarbonylContact C-O 3.53Å; K80-E101 WeakPolarHBondContact CA-O 3.42Å; T81-E101 PolarHBondContact N-O 2.83Å; T81-E101 PolarHBondContact O-N 3.42Å
102E96.7Very high92.1Very high116 Ų116106.1 Ų106.154%0.54251%0.507SS..EExtended strand (participates in β ladder)trans-86.5130.5174.3-71.2-169.8173.300110.8I78 K80I78-E102 HydrophobicContact CG2-CB 3.93Å; I78-E102 HydrophobicContact CG2-CG 3.94Å; K80-E102 WeakPolarHBondContact CE-OE1 3.43Å; K80-E102 HydrophobicContact CG-CG 3.92Å; K80-E102 IonicContact NZ-OE1 3.63Å; K80-E102 PolarHBondContact NZ-OE1 2.84Å
103S94.1Very high91.7Very high31 Ų31106.2 Ų106.222%0.21751%0.507CS..EExtended strand (participates in β ladder)trans-132.8140.9178.555.80000110.2R79R79-S103 PolarHBondContact N-O 3.47Å; R79-S103 PolarHBondContact NE-OG 3.27Å; R79-S103 PolarHBondContact NH2-OG 3.01Å; R79-S103 PolarHBondContact O-N 3.41Å; R79-S103 PolarHBondContact O-OG 3.32Å
104K94.7Very high90.5Very high157 Ų157108 Ų10868%0.68352%0.52SS*.EExtended strand (participates in β ladder)trans-83.9126177.5-170.6174.4-177.9175.10109.9N76N76-K104 HydrophobicContact CB-CG 4.45Å; N76-K104 VanDerWaalsContact CG-CE 3.44Å
105V93.6Very high88.8Confident31 Ų31108.9 Ų108.919%0.18852%0.523CS..EExtended strand (participates in β ladder)trans-118.4139.2175-62.10000110N76 Y77 R79 Y107N76-V105 CarbonylContact C-O 3.57Å; N76-V105 WeakPolarHBondContact CA-O 3.43Å; Y77-V105 PolarHBondContact N-O 2.78Å; Y77-V105 WeakPolarHBondContact O-CG2 3.45Å; Y77-V105 PolarHBondContact O-N 3.43Å; R79-V105 HydrophobicContact CB-CG1 3.84Å; R79-V105 HydrophobicContact CB-CG2 4.07Å; V105-Y107 HydrophobicContact CB-CE2 4.46Å; V105-Y107 HydrophobicContact CG2-CD2 4.2Å; V105-Y107 HydrophobicContact CG2-CE2 3.65Å
106T94Very high87Confident66 Ų66110.9 Ų110.941%0.40554%0.543SS..EExtended strand (participates in β ladder)trans-109.6117.6176.8-53.70000109.2S74 N76S74-T106 WeakPolarHBondContact OG-CG2 3.2Å; N76-T106 WeakPolarHBondContact OD1-CB 2.84Å; N76-T106 WeakPolarHBondContact OD1-CG2 3.4Å; N76-T106 PolarHBondContact OD1-OG1 3.34Å
107Y94.2Very high84.9Confident152 Ų152108.5 Ų108.560%0.59654%0.539SS*.EExtended strand (participates in β ladder)trans-91.2130.7169.5-73.4-98.7000108.8S74 T75 Y77 V105S74-Y107 CarbonylContact C-O 3.57Å; S74-Y107 VanDerWaalsContact CA-O 3.29Å; S74-Y107 WeakPolarHBondContact CA-O 3.42Å; T75-Y107 PolarHBondContact N-O 3.33Å; T75-Y107 PolarHBondContact O-N 3.2Å; Y77-Y107 AromaticContact CD2-CD2 3.43Å; Y77-Y107 HydrophobicContact CD2-CD2 3.43Å; Y77-Y107 VanDerWaalsContact CD2-CD2 3.43Å; Y77-Y107 HydrophobicContact CD2-CE2 4Å; Y77-Y107 HydrophobicContact CD2-CG 4.29Å; Y77-Y107 AromaticContact CE2-CD2 3.85Å; Y77-Y107 HydrophobicContact CE2-CD2 3.85Å; Y77-Y107 HydrophobicContact CE2-CG 4.29Å; Y77-Y107 HydrophobicContact CG-CD2 4.3Å; Y77-Y107 HydrophobicContact CG-CE2 4.47Å; V105-Y107 HydrophobicContact CB-CE2 4.46Å; V105-Y107 HydrophobicContact CG2-CD2 4.2Å; V105-Y107 HydrophobicContact CG2-CE2 3.65Å
108T93.1Very high82.8Confident40 Ų40110.8 Ų110.825%0.24556%0.564CS.*EExtended strand (participates in β ladder)trans-131.3123.1179.8-57.90000109.2K66 V71 F73 S74 I110K66-T108 HydrophobicContact CD-CG2 4.28Å; K66-T108 PolarHBondContact NZ-OG1 3.34Å; V71-T108 HydrophobicContact CB-CG2 4.25Å; V71-T108 HydrophobicContact CG1-CG2 3.48Å; V71-T108 VanDerWaalsContact CG1-CG2 3.48Å; V71-T108 HydrophobicContact CG2-CG2 3.77Å; F73-T108 CarbonylContact O-C 3.57Å; F73-T108 WeakPolarHBondContact O-CA 3.17Å; S74-T108 PolarHBondContact OG-OG1 2.84Å; S74-T108 VanDerWaalsContact OG-OG1 3.11Å; T108-I110 HydrophobicContact CG2-CG1 4.07Å
109K94.3Very high80.7Confident134 Ų134119.5 Ų119.558%0.58359%0.59SS**EExtended strand (participates in β ladder)trans-92.7118.7172.4-172.6179.4-179.6178.50108.2L72 F73L72-K109 HydrophobicContact CB-CG 4.41Å; L72-K109 HydrophobicContact CD1-CD 4.45Å; L72-K109 HydrophobicContact CD1-CG 4.39Å; L72-K109 PolarHBondContact N-O 3.01Å; F73-K109 HydrophobicContact CB-CB 4.07Å; F73-K109 PolarHBondContact N-O 3.39Å; F73-K109 PolarHBondContact O-N 3.17Å
110I92.6Very high80.1Confident75 Ų75120.4 Ų120.439%0.38560%0.596SS.*EExtended strand (participates in β ladder)trans-106.3136.8179.8-62.3167.4000108.1F69 D70 V71 T108F69-I110 HydrophobicContact CB-CD1 4.03Å; F69-I110 HydrophobicContact CB-CG1 4.23Å; F69-I110 HydrophobicContact CB-CG2 3.88Å; F69-I110 HydrophobicContact CD1-CD1 4.06Å; F69-I110 HydrophobicContact CD1-CG2 3.94Å; F69-I110 HydrophobicContact CD2-CD1 4.45Å; F69-I110 HydrophobicContact CG-CD1 3.93Å; F69-I110 HydrophobicContact CG-CG2 4.28Å; D70-I110 CarbonylContact O-C 3.59Å; D70-I110 WeakPolarHBondContact O-CA 3.35Å; V71-I110 HydrophobicContact CG2-CG1 4.42Å; T108-I110 HydrophobicContact CG2-CG1 4.07Å
111K91.7Very high79.4Confident102 Ų102119.1 Ų119.144%0.44359%0.594SS.*PPolyproline II helixtrans-67.7134.3173.2-163.7-177.4-175.21760108.6D70 L72 D113D70-K111 HydrophobicContact CB-CB 4.06Å; D70-K111 PolarHBondContact O-N 2.99Å; D70-K111 WeakPolarHBondContact OD2-CD 2.97Å; D70-K111 IonicContact OD2-NZ 3.47Å; L72-K111 HydrophobicContact CD1-CB 3.93Å; L72-K111 HydrophobicContact CD1-CG 4.25Å; L72-K111 HydrophobicContact CD2-CB 3.97Å; L72-K111 HydrophobicContact CD2-CD 4.27Å; L72-K111 HydrophobicContact CD2-CG 4.28Å; L72-K111 HydrophobicContact CG-CB 3.84Å; L72-K111 HydrophobicContact CG-CG 4.48Å; K111-D113 PolarHBondContact O-N 2.92Å
112K86.8Confident78.5Confident178 Ų178119.6 Ų119.677%0.77460%0.598SS**PPolyproline II helixtrans-68125.8169.8-171.6-178.8-179.9-177.60107.7K114K112-K114 PolarHBondContact O-N 3.11Å
113D78Confident77.5Confident129 Ų129119.8 Ų119.869%0.6960%0.601SS**PPolyproline II helixtrans-51.9129.4169.4-63.8-41.1000108.6K111 K115K111-D113 PolarHBondContact O-N 2.92Å; D113-K115 VanDerWaalsContact C-N 3.28Å; D113-K115 PolarHBondContact O-N 2.87Å
114K63.5Low76.4Confident199 Ų199125.4 Ų125.487%0.86563%0.625SS**  trans-61.2104.1162.9-74.2-173.5178.4-177.50104.3K112K112-K114 PolarHBondContact O-N 3.11Å
115K55.7Low75.2Confident175 Ų175123.3 Ų123.376%0.76162%0.622SS**  trans-46.6132.2164.7-78.2-170.5171.7-168.60106.3D113 T117D113-K115 VanDerWaalsContact C-N 3.28Å; D113-K115 PolarHBondContact O-N 2.87Å; K115-T117 PolarHBondContact O-N 3.35Å; K115-T117 VanDerWaalsContact O-N 3.11Å
116P50.8Low73.9Confident122 Ų122129.9 Ų129.979%0.79265%0.653SS**  trans-53.8127.117321.8-30.2000106.8A118P116-A118 PolarHBondContact O-N 2.9Å
117T46Very low72.3Confident108 Ų108134.8 Ų134.866%0.66367%0.672SS**  trans-53.3108.6173.3-43.80000106.2K115 H119K115-T117 PolarHBondContact O-N 3.35Å; K115-T117 VanDerWaalsContact O-N 3.11Å; T117-H119 VanDerWaalsContact C-N 3.32Å; T117-H119 PolarHBondContact O-N 3.01Å
118A47.6Very low70.5Confident102 Ų102133.3 Ų133.384%0.84368%0.678SS**  trans-67.6102.4165.400000105.2P116P116-A118 PolarHBondContact O-N 2.9Å
119H46.2Very low68.5Low236 Ų236141.8 Ų141.8100%1.09372%0.717SS**  trans-81.80163.3-78.4-65.2000108.9T117T117-H119 VanDerWaalsContact C-N 3.32Å; T117-H119 PolarHBondContact O-N 3.01Å

Retrieved 119 of 119 residues in 115.8 ms (Link to these results)