X6R5P2_HUMAN Loading...

Astrotactin 2

AlphaFold DB , UniProt , Accession X6R5P2, Species HUMAN (Homo sapiens, Human), Gene ASTN2, Length 194 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M78.6Confident89.6Confident203 Ų20381.4 Ų81.4100%143%0.428SS*.  0129.80-90.9-166.9170.500109
2P93.5Very high89.1Confident52 Ų5283 Ų8334%0.33844%0.444SS..  trans-59.5145.6168.8-24.133.2000112.8I4 T5 Y6 L41P2-I4 VanDerWaalsContact C-N 3.33Å; P2-I4 HydrophobicContact CB-CG2 4.29Å; P2-I4 PolarHBondContact O-N 2.94Å; P2-T5 HydrophobicContact CB-CG2 4.21Å; P2-T5 VanDerWaalsContact CD-OG1 3.25Å; P2-T5 WeakPolarHBondContact CD-OG1 3.39Å; P2-T5 HydrophobicContact CG-CG2 4.29Å; P2-T5 PolarHBondContact O-N 3.04Å; P2-T5 VanDerWaalsContact O-N 3.07Å; P2-T5 PolarHBondContact O-OG1 3.49Å; P2-Y6 PolarHBondContact O-N 2.76Å; P2-Y6 VanDerWaalsContact O-N 3.13Å; P2-L41 HydrophobicContact CG-CD2 3.67Å
3F93.5Very high88.5Confident154 Ų15480 Ų8068%0.67544%0.438SS*.Hα-helixtrans-55.2-45.2-179.3178.5-113.8000112.9T5 Y6 L7F3-T5 VanDerWaalsContact C-N 3.3Å; F3-T5 PolarHBondContact O-N 2.98Å; F3-Y6 WeakPolarHBondContact O-CB 3.31Å; F3-Y6 PolarHBondContact O-N 2.69Å; F3-L7 HydrophobicContact CD1-CD1 4.15Å; F3-L7 HydrophobicContact CE1-CD1 3.48Å; F3-L7 VanDerWaalsContact CE1-CD1 3.48Å; F3-L7 HydrophobicContact CE1-CG 4.28Å; F3-L7 HydrophobicContact CE2-CD1 4.18Å; F3-L7 HydrophobicContact CE2-CD2 4.45Å; F3-L7 HydrophobicContact CE2-CG 4.19Å; F3-L7 HydrophobicContact CZ-CD1 3.5Å; F3-L7 HydrophobicContact CZ-CD2 4.38Å; F3-L7 HydrophobicContact CZ-CG 4.01Å; F3-L7 PolarHBondContact O-N 3.37Å
4I93.8Very high87.3Confident90 Ų9077.4 Ų77.446%0.46242%0.421SS..Hα-helixtrans-60.8-36.6178.1-168.2170.2000112.8P2 S8 I27P2-I4 VanDerWaalsContact C-N 3.33Å; P2-I4 HydrophobicContact CB-CG2 4.29Å; P2-I4 PolarHBondContact O-N 2.94Å; I4-S8 VanDerWaalsContact O-CB 3.31Å; I4-S8 WeakPolarHBondContact O-CB 3.25Å; I4-S8 PolarHBondContact O-N 2.97Å; I4-I27 HydrophobicContact CD1-CG2 3.94Å; I4-I27 HydrophobicContact CG1-CD1 4.26Å; I4-I27 HydrophobicContact CG1-CG2 4.18Å
5T90.8Very high85.6Confident61 Ų6183.8 Ų83.837%0.37445%0.45SS..Hα-helixtrans-73.5-31.8178.758.60000112.3P2 F3 G9P2-T5 HydrophobicContact CB-CG2 4.21Å; P2-T5 VanDerWaalsContact CD-OG1 3.25Å; P2-T5 WeakPolarHBondContact CD-OG1 3.39Å; P2-T5 HydrophobicContact CG-CG2 4.29Å; P2-T5 PolarHBondContact O-N 3.04Å; P2-T5 VanDerWaalsContact O-N 3.07Å; P2-T5 PolarHBondContact O-OG1 3.49Å; F3-T5 VanDerWaalsContact C-N 3.3Å; F3-T5 PolarHBondContact O-N 2.98Å; T5-G9 PolarHBondContact O-N 3.01Å; T5-G9 VanDerWaalsContact O-N 3.07Å
6Y91.4Very high84.5Confident129 Ų12988.6 Ų88.651%0.50648%0.475SS..Hα-helixtrans-64.9-50172.7169.9-101.2000110.9P2 F3 G9 L10P2-Y6 PolarHBondContact O-N 2.76Å; P2-Y6 VanDerWaalsContact O-N 3.13Å; F3-Y6 WeakPolarHBondContact O-CB 3.31Å; F3-Y6 PolarHBondContact O-N 2.69Å; Y6-G9 PolarHBondContact O-N 2.81Å; Y6-L10 HydrophobicContact CD1-CD1 4.21Å; Y6-L10 HydrophobicContact CE1-CD1 3.55Å; Y6-L10 HydrophobicContact CE2-CD1 4.2Å; Y6-L10 HydrophobicContact CE2-CG 4.49Å; Y6-L10 PolarHBondContact O-N 2.99Å; Y6-L10 VanDerWaalsContact O-N 3.14Å
7L90.8Very high83.6Confident35 Ų3586.5 Ų86.518%0.18347%0.469CS..Hα-helixtrans-61.7-45.8176.3-70.2-177.9000112F3 G9 L10 L11 I27F3-L7 HydrophobicContact CD1-CD1 4.15Å; F3-L7 HydrophobicContact CE1-CD1 3.48Å; F3-L7 VanDerWaalsContact CE1-CD1 3.48Å; F3-L7 HydrophobicContact CE1-CG 4.28Å; F3-L7 HydrophobicContact CE2-CD1 4.18Å; F3-L7 HydrophobicContact CE2-CD2 4.45Å; F3-L7 HydrophobicContact CE2-CG 4.19Å; F3-L7 HydrophobicContact CZ-CD1 3.5Å; F3-L7 HydrophobicContact CZ-CD2 4.38Å; F3-L7 HydrophobicContact CZ-CG 4.01Å; F3-L7 PolarHBondContact O-N 3.37Å; L7-G9 VanDerWaalsContact C-N 3.25Å; L7-G9 PolarHBondContact O-N 3.32Å; L7-L10 PolarHBondContact O-N 3.06Å; L7-L10 VanDerWaalsContact O-N 3.14Å; L7-L11 WeakPolarHBondContact O-CD1 3.44Å; L7-L11 PolarHBondContact O-N 2.05Å; L7-I27 HydrophobicContact CB-CD1 4.29Å
8S89.9Confident82.6Confident55 Ų5590.2 Ų90.239%0.38549%0.488SS..Hα-helixtrans-58.1-38.4177.7-177.20000112.3I4 L11 T12I4-S8 VanDerWaalsContact O-CB 3.31Å; I4-S8 WeakPolarHBondContact O-CB 3.25Å; I4-S8 PolarHBondContact O-N 2.97Å; S8-L11 PolarHBondContact O-N 2.9Å; S8-T12 WeakPolarHBondContact O-CG2 3.08Å; S8-T12 PolarHBondContact O-N 3.13Å; S8-T12 PolarHBondContact O-OG1 3.14Å; S8-T12 VanDerWaalsContact O-OG1 3.1Å
9G88.2Confident81.3Confident36 Ų3694.4 Ų94.437%0.37151%0.51SS..Hα-helixtrans-64.1-4517600000112.3T5 Y6 L7 T12 A13T5-G9 PolarHBondContact O-N 3.01Å; T5-G9 VanDerWaalsContact O-N 3.07Å; Y6-G9 PolarHBondContact O-N 2.81Å; L7-G9 VanDerWaalsContact C-N 3.25Å; L7-G9 PolarHBondContact O-N 3.32Å; G9-T12 WeakPolarHBondContact CA-OG1 3.46Å; G9-T12 PolarHBondContact O-N 2.67Å; G9-T12 PolarHBondContact O-OG1 3.07Å; G9-A13 WeakPolarHBondContact O-CB 3.46Å; G9-A13 PolarHBondContact O-N 3.13Å
10L88Confident80.6Confident39 Ų3993.6 Ų93.620%0.20450%0.503CS..Hα-helixtrans-61.7-44.7174.9-70178.8000112.1Y6 L7 T12 A13 Q14 I22Y6-L10 HydrophobicContact CD1-CD1 4.21Å; Y6-L10 HydrophobicContact CE1-CD1 3.55Å; Y6-L10 HydrophobicContact CE2-CD1 4.2Å; Y6-L10 HydrophobicContact CE2-CG 4.49Å; Y6-L10 PolarHBondContact O-N 2.99Å; Y6-L10 VanDerWaalsContact O-N 3.14Å; L7-L10 PolarHBondContact O-N 3.06Å; L7-L10 VanDerWaalsContact O-N 3.14Å; L10-T12 PolarHBondContact O-N 3.27Å; L10-A13 CarbonylContact O-C 3.56Å; L10-A13 PolarHBondContact O-N 3.18Å; L10-A13 VanDerWaalsContact O-N 3.17Å; L10-Q14 PolarHBondContact O-N 3.33Å; L10-I22 HydrophobicContact CB-CD1 3.99Å; L10-I22 HydrophobicContact CB-CG2 4.39Å; L10-I22 HydrophobicContact CD1-CG2 4.23Å
11L87.3Confident80.5Confident41 Ų4197.7 Ų97.722%0.21552%0.524CS..Hα-helixtrans-61.2-42.5176.6-91.471.6000111.9L7 S8 A13 Q14 I22 V25 I27L7-L11 WeakPolarHBondContact O-CD1 3.44Å; L7-L11 PolarHBondContact O-N 2.05Å; S8-L11 PolarHBondContact O-N 2.9Å; L11-A13 VanDerWaalsContact C-N 3.29Å; L11-A13 PolarHBondContact O-N 3.07Å; L11-Q14 WeakPolarHBondContact O-CB 3.41Å; L11-Q14 PolarHBondContact O-N 2.9Å; L11-I22 HydrophobicContact CD1-CB 4.24Å; L11-V25 HydrophobicContact CD1-CB 4.21Å; L11-V25 HydrophobicContact CD1-CG1 4.05Å; L11-V25 HydrophobicContact CD2-CG1 4.37Å; L11-V25 WeakPolarHBondContact CD2-O 3.31Å; L11-I27 HydrophobicContact CD2-CD1 4.42Å; L11-I27 HydrophobicContact CD2-CG1 4.42Å
12T83.9Confident80.7Confident101 Ų10188.6 Ų88.662%0.6248%0.479SS*.Hα-helixtrans-67.6-30.4176.450.80000113S8 G9 L10S8-T12 WeakPolarHBondContact O-CG2 3.08Å; S8-T12 PolarHBondContact O-N 3.13Å; S8-T12 PolarHBondContact O-OG1 3.14Å; S8-T12 VanDerWaalsContact O-OG1 3.1Å; G9-T12 WeakPolarHBondContact CA-OG1 3.46Å; G9-T12 PolarHBondContact O-N 2.67Å; G9-T12 PolarHBondContact O-OG1 3.07Å; L10-T12 PolarHBondContact O-N 3.27Å
13A81.4Confident80.3Confident44 Ų4490.8 Ų90.836%0.36450%0.495SS..Hα-helixtrans-81.7-20.9177.200000112.9G9 L10 L11 M15 L16G9-A13 WeakPolarHBondContact O-CB 3.46Å; G9-A13 PolarHBondContact O-N 3.13Å; L10-A13 CarbonylContact O-C 3.56Å; L10-A13 PolarHBondContact O-N 3.18Å; L10-A13 VanDerWaalsContact O-N 3.17Å; L11-A13 VanDerWaalsContact C-N 3.29Å; L11-A13 PolarHBondContact O-N 3.07Å; A13-M15 PolarHBondContact O-N 3.45Å; A13-M15 VanDerWaalsContact O-N 3.13Å; A13-L16 VanDerWaalsContact O-CB 3.31Å; A13-L16 WeakPolarHBondContact O-CB 3.13Å; A13-L16 PolarHBondContact O-N 2.91Å
14Q70.9Confident79.9Confident43 Ų4387.4 Ų87.420%0.20150%0.504CS..G310 helixtrans-59.5-22.7179.1-164.5177.3-7.500113.3L10 L11 L16 S17 I22L10-Q14 PolarHBondContact O-N 3.33Å; L11-Q14 WeakPolarHBondContact O-CB 3.41Å; L11-Q14 PolarHBondContact O-N 2.9Å; Q14-L16 PolarHBondContact O-N 3.25Å; Q14-S17 CarbonylContact O-C 3.52Å; Q14-S17 PolarHBondContact O-N 3.46Å; Q14-I22 HydrophobicContact CB-CD1 3.75Å; Q14-I22 HydrophobicContact CG-CD1 3.8Å; Q14-I22 HydrophobicContact CG-CG1 4.28Å; Q14-I22 VanDerWaalsContact OE1-CG1 3.3Å
15M61.8Low79.7Confident174 Ų17486 Ų8686%0.85750%0.499SS*.G310 helixtrans-58.9-8171.1-57.4-64.8-86.700113.3A13A13-M15 PolarHBondContact O-N 3.45Å; A13-M15 VanDerWaalsContact O-N 3.13Å
16L67.8Low79.8Confident161 Ų16189.2 Ų89.284%0.84351%0.51SS*.G310 helixtrans-108.9-4.9178.6-56170.3000113.5A13 Q14A13-L16 VanDerWaalsContact O-CB 3.31Å; A13-L16 WeakPolarHBondContact O-CB 3.13Å; A13-L16 PolarHBondContact O-N 2.91Å; Q14-L16 PolarHBondContact O-N 3.25Å
17S68.9Low79.8Confident53 Ų5385.8 Ų85.837%0.37150%0.5SS..  trans-156.4123.8-17861.10000112.6Q14Q14-S17 CarbonylContact O-C 3.52Å; Q14-S17 PolarHBondContact O-N 3.46Å
18D65.7Low80.1Confident153 Ų15393.8 Ų93.882%0.81853%0.528SS*.SBendtrans-79-26.4-170.5-85.6-30.6000115.7
19D58.8Low80.2Confident169 Ų16994 Ų9490%0.90453%0.528SS*.  trans-110.946.1-164.3-78.6-24.6000115.4
20Q67.3Low80.6Confident79 Ų79101.6 Ų101.637%0.36956%0.555SS.*  trans-104.2146.4-178.3-156.8164.512.200113.1I22 S23Q20-I22 HydrophobicContact CB-CD1 4.22Å; Q20-I22 HydrophobicContact CB-CG1 3.84Å; Q20-I22 HydrophobicContact CG-CD1 4.32Å; Q20-I22 HydrophobicContact CG-CG1 4.08Å; Q20-I22 PolarHBondContact O-N 3.34Å; Q20-S23 PolarHBondContact O-N 3.28Å; Q20-S23 VanDerWaalsContact O-N 3.09Å
21L78.2Confident80.8Confident179 Ų179103.2 Ų103.294%0.93756%0.561SS**THydrogen-bonded Turntrans-48.8-7.4179.2-16478.3000115.8
22I82.8Confident81.2Confident13 Ų13108.5 Ų108.57%0.06758%0.582CS.*THydrogen-bonded Turntrans-93.21.3-177.753.4173.1000113.1L10 L11 Q14 Q20 G24 V25L10-I22 HydrophobicContact CB-CD1 3.99Å; L10-I22 HydrophobicContact CB-CG2 4.39Å; L10-I22 HydrophobicContact CD1-CG2 4.23Å; L11-I22 HydrophobicContact CD1-CB 4.24Å; Q14-I22 HydrophobicContact CB-CD1 3.75Å; Q14-I22 HydrophobicContact CG-CD1 3.8Å; Q14-I22 HydrophobicContact CG-CG1 4.28Å; Q14-I22 VanDerWaalsContact OE1-CG1 3.3Å; Q20-I22 HydrophobicContact CB-CD1 4.22Å; Q20-I22 HydrophobicContact CB-CG1 3.84Å; Q20-I22 HydrophobicContact CG-CD1 4.32Å; Q20-I22 HydrophobicContact CG-CG1 4.08Å; Q20-I22 PolarHBondContact O-N 3.34Å; I22-G24 PolarHBondContact O-N 3.26Å; I22-V25 WeakPolarHBondContact O-CB 3.39Å; I22-V25 WeakPolarHBondContact O-CG2 3.11Å; I22-V25 PolarHBondContact O-N 3.1Å; I22-V25 VanDerWaalsContact O-N 3.14Å
23S84.6Confident81.7Confident97 Ų97105 Ų10568%0.67857%0.567SS**THydrogen-bonded Turntrans-56.6127.8174-169.70000111.3Q20Q20-S23 PolarHBondContact O-N 3.28Å; Q20-S23 VanDerWaalsContact O-N 3.09Å
24G85.6Confident82.2Confident83 Ų83110.3 Ų110.386%0.85658%0.577SS**THydrogen-bonded Turntrans85.8-2.5-178.400000115.7I22I22-G24 PolarHBondContact O-N 3.26Å
25V90.3Very high83.4Confident60 Ų60108.5 Ų108.536%0.36457%0.569SS.*  trans-76128173.8178.30000109.9L11 I22L11-V25 HydrophobicContact CD1-CB 4.21Å; L11-V25 HydrophobicContact CD1-CG1 4.05Å; L11-V25 HydrophobicContact CD2-CG1 4.37Å; L11-V25 WeakPolarHBondContact CD2-O 3.31Å; I22-V25 WeakPolarHBondContact O-CB 3.39Å; I22-V25 WeakPolarHBondContact O-CG2 3.11Å; I22-V25 PolarHBondContact O-N 3.1Å; I22-V25 VanDerWaalsContact O-N 3.14Å
26E91.8Very high85Confident130 Ų130102.2 Ų102.261%0.60754%0.541SS*.  trans-125.2135.1174.9-166-173.6177.200110.8R28E26-R28 VanDerWaalsContact CD-NH2 3.32Å; E26-R28 HydrophobicContact CG-CG 4.34Å; E26-R28 IonicContact OE1-CZ 3.42Å; E26-R28 IonicContact OE1-NE 3.21Å; E26-R28 PolarHBondContact OE1-NE 3.46Å; E26-R28 IonicContact OE1-NH2 2.88Å; E26-R28 PolarHBondContact OE1-NH2 3Å; E26-R28 IonicContact OE2-CZ 2.82Å; E26-R28 IonicContact OE2-NE 2.91Å; E26-R28 PolarHBondContact OE2-NE 2.88Å; E26-R28 IonicContact OE2-NH2 3.87Å; E26-R28 PolarHBondContact OE2-NH2 3.49Å
27I93.1Very high86.2Confident56 Ų5696.5 Ų96.529%0.28752%0.515SS..  trans-111.4113.9176.1-57.7175000109.2I4 L7 L11I4-I27 HydrophobicContact CD1-CG2 3.94Å; I4-I27 HydrophobicContact CG1-CD1 4.26Å; I4-I27 HydrophobicContact CG1-CG2 4.18Å; L7-I27 HydrophobicContact CB-CD1 4.29Å; L11-I27 HydrophobicContact CD2-CD1 4.42Å; L11-I27 HydrophobicContact CD2-CG1 4.42Å
28R95.1Very high87.3Confident203 Ų20399.8 Ų99.877%0.76653%0.533SS*.  trans-108.6130.1173.7-61.2-174.6-179.7-138-2.8109.9E26E26-R28 VanDerWaalsContact CD-NH2 3.32Å; E26-R28 HydrophobicContact CG-CG 4.34Å; E26-R28 IonicContact OE1-CZ 3.42Å; E26-R28 IonicContact OE1-NE 3.21Å; E26-R28 PolarHBondContact OE1-NE 3.46Å; E26-R28 IonicContact OE1-NH2 2.88Å; E26-R28 PolarHBondContact OE1-NH2 3Å; E26-R28 IonicContact OE2-CZ 2.82Å; E26-R28 IonicContact OE2-NE 2.91Å; E26-R28 PolarHBondContact OE2-NE 2.88Å; E26-R28 IonicContact OE2-NH2 3.87Å; E26-R28 PolarHBondContact OE2-NH2 3.49Å
29C93.6Very high88.7Confident59 Ų5994.6 Ų94.640%0.39951%0.508SS..  trans-127128.3-177.9-56.20000111.4
30E95.5Very high90.3Very high197 Ų19793.3 Ų93.392%0.92150%0.496SS*.  trans-111.7144.9169.4-64.1-177.2175.200109.9
31E93.1Very high91.6Very high73 Ų7396.1 Ų96.134%0.34151%0.513SS..  trans-131.7123.4-174-179.4172.4-159.200110.1G33 R34 C35E31-G33 WeakPolarHBondContact CG-O 3.42Å; E31-R34 WeakPolarHBondContact OE1-CA 3.4Å; E31-C35 PolarHBondContact OE1-N 3.17Å
32K95.1Very high92.3Very high152 Ų15290 Ų9066%0.66149%0.485SS*.SBendtrans-107.198.5174.1-70.8-175.6179179.40109.2L57K32-L57 HydrophobicContact CB-CD2 3.66Å; K32-L57 HydrophobicContact CD-CD2 4.44Å
33G93.4Very high92.8Very high28 Ų2895.9 Ų95.929%0.28951%0.506SS..SBendtrans81.1144.2-169.500000111.9E31 V55E31-G33 WeakPolarHBondContact CG-O 3.42Å; G33-V55 VanDerWaalsContact CA-CG2 3.5Å
34R94Very high93Very high155 Ų15595.6 Ų95.659%0.58549%0.49SS*.PPolyproline II helixtrans-75.3146.7-172.9-74.1176.4173.1-153.1-1.4112.5E31 Q49 P52E31-R34 WeakPolarHBondContact OE1-CA 3.4Å; R34-Q49 HydrophobicContact CB-CB 4.47Å; R34-P52 HydrophobicContact CB-CB 3.94Å; R34-P52 WeakPolarHBondContact O-CB 3.46Å; R34-P52 WeakPolarHBondContact O-CG 3.05Å
35C95.1Very high93.1Very high5 Ų598 Ų983%0.03449%0.491CS..PPolyproline II helixtrans-63.6124.8174.6-175.50000112.3E31 C42 R43 Q49E31-C35 PolarHBondContact OE1-N 3.17Å; C35-C42 HydrophobicContact CB-CB 3.78Å; C35-C42 WeakPolarHBondContact CB-SG 3.45Å; C35-C42 VanDerWaalsContact SG-CA 3.59Å; C35-C42 WeakPolarHBondContact SG-CB 3.15Å; C35-C42 PolarHBondContact SG-O 3.14Å; C35-C42 VanDerWaalsContact SG-O 3.34Å; C35-C42 CovalentContact SG-SG 2.05Å; C35-C42 PolarHBondContact SG-SG 3.34Å; C35-R43 PolarHBondContact SG-N 3.29Å; C35-Q49 PolarHBondContact O-N 2.86Å
36P95.4Very high92.8Very high41 Ų4199.1 Ų99.127%0.26652%0.515SS..BIsolated β-bridgetrans-71.3143.4175.129.3-33.8000111T38 C39 Q49 P52P36-T38 PolarHBondContact O-N 3.26Å; P36-C39 HydrophobicContact CG-CB 3.85Å; P36-C39 PolarHBondContact O-N 3.44Å; P36-Q49 WeakPolarHBondContact CA-O 3.35Å; P36-P52 HydrophobicContact CB-CG 3.88Å
37S92Very high92.6Very high42 Ų4297.7 Ų97.729%0.29451%0.506SS..THydrogen-bonded Turntrans-57.6-20.1177.4480000114.7Q49S37-Q49 PolarHBondContact N-O 2.9Å; S37-Q49 PolarHBondContact OG-O 3.16Å
38T93.8Very high92.2Very high121 Ų12199.1 Ų99.174%0.74251%0.512SS*.THydrogen-bonded Turntrans-77.2-17.717555.10000113.8P36P36-T38 PolarHBondContact O-N 3.26Å
39C94.1Very high92Very high45 Ų4592.6 Ų92.630%0.30449%0.49SS..  trans-102.9116.6-177.8-175.50000111.2P36P36-C39 HydrophobicContact CG-CB 3.85Å; P36-C39 PolarHBondContact O-N 3.44Å
40H93Very high91.8Very high141 Ų14196.4 Ų96.465%0.65351%0.506SS*.SBendtrans-86.1-12.8-180-60.6-44.9000114.3
41L93.7Very high91.5Very high139 Ų13992.1 Ų92.173%0.72850%0.497SS*.SBendtrans-79-34.4-177.2-66.7177.9000113.2P2P2-L41 HydrophobicContact CG-CD2 3.67Å
42C93.5Very high91.5Very high51 Ų5189.9 Ų89.935%0.34549%0.489SS..SBendtrans-94.52.2178.256.80000113.5C35 R44C35-C42 HydrophobicContact CB-CB 3.78Å; C35-C42 WeakPolarHBondContact CB-SG 3.45Å; C35-C42 VanDerWaalsContact SG-CA 3.59Å; C35-C42 WeakPolarHBondContact SG-CB 3.15Å; C35-C42 PolarHBondContact SG-O 3.14Å; C35-C42 VanDerWaalsContact SG-O 3.34Å; C35-C42 CovalentContact SG-SG 2.05Å; C35-C42 PolarHBondContact SG-SG 3.34Å; C42-R44 PolarHBondContact O-N 3.34Å
43R92.8Very high91.5Very high136 Ų13688 Ų8851%0.51349%0.491SS..  trans-64.3124-171.9-169.3177.7-168.8176.41.8110.1C35 E48C35-R43 PolarHBondContact SG-N 3.29Å; R43-E48 IonicContact CZ-OE1 3.92Å; R43-E48 IonicContact CZ-OE2 3.01Å; R43-E48 IonicContact NE-OE2 2.69Å; R43-E48 PolarHBondContact NE-OE2 2.74Å; R43-E48 VanDerWaalsContact NH2-CD 3.28Å; R43-E48 IonicContact NH2-OE1 2.98Å; R43-E48 PolarHBondContact NH2-OE1 2.82Å; R43-E48 IonicContact NH2-OE2 2.76Å; R43-E48 PolarHBondContact NH2-OE2 3.09Å
44R90.3Very high91.6Very high91 Ų9192.8 Ų92.834%0.34352%0.517SS..  trans-121141.1171.7-61.4179.279.6-1787.7109.4C42 G46 K47C42-R44 PolarHBondContact O-N 3.34Å; R44-G46 PolarHBondContact O-N 3.14Å; R44-K47 HydrophobicContact CB-CB 4.25Å; R44-K47 HydrophobicContact CB-CD 4.45Å; R44-K47 PolarHBondContact O-N 3.16Å; R44-K47 VanDerWaalsContact O-N 3.16Å
45P86.3Confident91.7Very high133 Ų13389.1 Ų89.186%0.86451%0.511SS*.THydrogen-bonded Turntrans-54127.8178.9-23.632.7000111.2K47P45-K47 VanDerWaalsContact C-N 3.28Å; P45-K47 PolarHBondContact O-N 2.91Å
46G83.4Confident91.8Very high84 Ų8495 Ų9587%0.86654%0.542SS*.THydrogen-bonded Turntrans73.66.1176.900000116.5R44R44-G46 PolarHBondContact O-N 3.14Å
47K87.6Confident91.9Very high99 Ų9998.3 Ų98.343%0.4356%0.556SS.*  trans-117.53.3179.8-65.1-167.1173.5-166.80114.9R44 P45R44-K47 HydrophobicContact CB-CB 4.25Å; R44-K47 HydrophobicContact CB-CD 4.45Å; R44-K47 PolarHBondContact O-N 3.16Å; R44-K47 VanDerWaalsContact O-N 3.16Å; P45-K47 VanDerWaalsContact C-N 3.28Å; P45-K47 PolarHBondContact O-N 2.91Å
48E86.7Confident92.1Very high86 Ų86103.2 Ų103.240%0.40258%0.575SS.*  trans-73.9143.2179.363.2-171.8170.300112.6R43R43-E48 IonicContact CZ-OE1 3.92Å; R43-E48 IonicContact CZ-OE2 3.01Å; R43-E48 IonicContact NE-OE2 2.69Å; R43-E48 PolarHBondContact NE-OE2 2.74Å; R43-E48 VanDerWaalsContact NH2-CD 3.28Å; R43-E48 IonicContact NH2-OE1 2.98Å; R43-E48 PolarHBondContact NH2-OE1 2.82Å; R43-E48 IonicContact NH2-OE2 2.76Å; R43-E48 PolarHBondContact NH2-OE2 3.09Å
49Q90.1Very high92.3Very high66 Ų66103.3 Ų103.331%0.30857%0.569SS.*BIsolated β-bridgetrans-135.7138.5179.2-178.4160.7-11.900111.5R34 C35 P36 S37 S51 P52R34-Q49 HydrophobicContact CB-CB 4.47Å; C35-Q49 PolarHBondContact O-N 2.86Å; P36-Q49 WeakPolarHBondContact CA-O 3.35Å; S37-Q49 PolarHBondContact N-O 2.9Å; S37-Q49 PolarHBondContact OG-O 3.16Å; Q49-S51 PolarHBondContact O-N 3.06Å; Q49-P52 HydrophobicContact CB-CB 4.38Å; Q49-P52 HydrophobicContact CG-CB 4.32Å
50L89.3Confident92.4Very high140 Ų140107.8 Ų107.873%0.73359%0.591SS**SBendtrans-69.9122.3164.8-85147000108.7
51S89.4Confident92.6Very high106 Ų106112.1 Ų112.174%0.74160%0.601SS**SBendtrans44.967.5176.556.60000114.1Q49Q49-S51 PolarHBondContact O-N 3.06Å
52P93.4Very high92.8Very high26 Ų26111.3 Ų111.317%0.16960%0.602CS.*PPolyproline II helixtrans-64.6147176.928.5-33.7000111.3R34 P36 Q49R34-P52 HydrophobicContact CB-CB 3.94Å; R34-P52 WeakPolarHBondContact O-CB 3.46Å; R34-P52 WeakPolarHBondContact O-CG 3.05Å; P36-P52 HydrophobicContact CB-CG 3.88Å; Q49-P52 HydrophobicContact CB-CB 4.38Å; Q49-P52 HydrophobicContact CG-CB 4.32Å
53T94.9Very high93Very high113 Ų113114 Ų11469%0.69362%0.616SS**PPolyproline II helixtrans-68.3127.617549.50000110.3
54P94.8Very high93.2Very high129 Ų129110 Ų11084%0.83861%0.608SS**PPolyproline II helixtrans-57.6142.9176.5-24.433.9000112.3
55V97.2Very high93.4Very high78 Ų78111.2 Ų111.247%0.47362%0.62SS.*  trans-115.5147.9177.3179.50000108.9G33 L57G33-V55 VanDerWaalsContact CA-CG2 3.5Å; V55-L57 PolarHBondContact O-N 2.88Å; V55-L57 VanDerWaalsContact O-N 3.16Å
56L97.4Very high93.9Very high129 Ų129107.4 Ų107.468%0.67559%0.589SS**  trans-61116.9174.3-179.466.4000109.8E58 I59L56-E58 WeakPolarHBondContact CD1-O 3.46Å; L56-I59 HydrophobicContact CD2-CD1 4.44Å; L56-I59 HydrophobicContact CD2-CG1 4.16Å
57L96.5Very high94.5Very high109 Ų109106.6 Ų106.657%0.57157%0.568SS**  trans-96.9-47.6177.6-58.8-177000111.1K32 V55K32-L57 HydrophobicContact CB-CD2 3.66Å; K32-L57 HydrophobicContact CD-CD2 4.44Å; V55-L57 PolarHBondContact O-N 2.88Å; V55-L57 VanDerWaalsContact O-N 3.16Å
58E96.9Very high95Very high146 Ų146108.3 Ų108.368%0.68258%0.581SS**  trans-141.6145.5-170.5-64179.7172.500111.1L56L56-E58 WeakPolarHBondContact CD1-O 3.46Å
59I97.4Very high95.5Very high122 Ų122106.4 Ų106.463%0.62657%0.573SS**  trans-106100.4172.2-58.8174.9000107.3L56 V62L56-I59 HydrophobicContact CD2-CD1 4.44Å; L56-I59 HydrophobicContact CD2-CG1 4.16Å; I59-V62 HydrophobicContact CG2-CG1 3.58Å
60N96.9Very high95.7Very high140 Ų140112.2 Ų112.275%0.74960%0.6SS**  trans-75.4-29.8-173.6-69.5-24.2000113.7
61R97.2Very high96.1Very high231 Ų231109.8 Ų109.887%0.87259%0.588SS**  trans-147.5138.8-176.7-64.4-173.9179.9177.8-0.5109.8
62V97.2Very high96.4Very high123 Ų123110.6 Ų110.675%0.74558%0.584SS**  trans-123.6142.7171.6-64.30000108.9I59I59-V62 HydrophobicContact CG2-CG1 3.58Å
63V97.1Very high96.6Very high106 Ų106111.7 Ų111.764%0.64260%0.6SS**  trans-124127.7174.7-178.60000107.5T67V63-T67 HydrophobicContact CG1-CG2 4.01Å; V63-T67 WeakPolarHBondContact CG1-OG1 3.43Å
64P96.7Very high96.7Very high52 Ų52110 Ų11034%0.33859%0.59SS.*  trans-62.8141.3-179.1-22.332.8000112.5Y66 T67P64-Y66 VanDerWaalsContact C-N 3.28Å; P64-Y66 HydrophobicContact CB-CD1 3.71Å; P64-Y66 HydrophobicContact CB-CD2 4.36Å; P64-Y66 HydrophobicContact CB-CE1 3.25Å; P64-Y66 HydrophobicContact CB-CE2 3.96Å; P64-Y66 HydrophobicContact CB-CG 4.24Å; P64-Y66 HydrophobicContact CG-CE1 4.01Å; P64-Y66 HydrophobicContact CG-CE2 4.41Å; P64-Y66 PolarHBondContact O-N 3.09Å; P64-T67 WeakPolarHBondContact O-CB 3.19Å; P64-T67 VanDerWaalsContact O-CG2 3.32Å; P64-T67 WeakPolarHBondContact O-CG2 3.49Å; P64-T67 PolarHBondContact O-N 3.38Å; P64-T67 VanDerWaalsContact O-N 3.11Å; P64-T67 PolarHBondContact O-OG1 2.88Å
65L96.1Very high96.8Very high117 Ų117106.8 Ų106.861%0.61356%0.562SS**G310 helixtrans-65.6-27.5-175.4-65.7178.9000113.9T67 L68 F78L65-T67 PolarHBondContact O-N 2.58Å; L65-L68 HydrophobicContact CD2-CD1 4.21Å; L65-L68 WeakPolarHBondContact O-CB 3.45Å; L65-L68 PolarHBondContact O-N 3.45Å; L65-F78 HydrophobicContact CB-CE1 4.41Å
66Y95.9Very high96.8Very high53 Ų53107.6 Ų107.621%0.20856%0.561CS.*G310 helixtrans-62.9-13.717659.2-108.7000113.4P64 L68 I69 K75 F78 K79 L82P64-Y66 VanDerWaalsContact C-N 3.28Å; P64-Y66 HydrophobicContact CB-CD1 3.71Å; P64-Y66 HydrophobicContact CB-CD2 4.36Å; P64-Y66 HydrophobicContact CB-CE1 3.25Å; P64-Y66 HydrophobicContact CB-CE2 3.96Å; P64-Y66 HydrophobicContact CB-CG 4.24Å; P64-Y66 HydrophobicContact CG-CE1 4.01Å; P64-Y66 HydrophobicContact CG-CE2 4.41Å; P64-Y66 PolarHBondContact O-N 3.09Å; Y66-L68 PolarHBondContact O-N 3.04Å; Y66-I69 PolarHBondContact O-N 3.26Å; Y66-K75 HydrophobicContact CD2-CG 4.27Å; Y66-K75 WeakPolarHBondContact O-CG 3.44Å; Y66-F78 HydrophobicContact CD1-CD1 4.29Å; Y66-K79 HydrophobicContact CD1-CB 4.07Å; Y66-K79 HydrophobicContact CD1-CG 4.4Å; Y66-K79 HydrophobicContact CE1-CB 4.27Å; Y66-K79 HydrophobicContact CE1-CG 4.09Å; Y66-K79 HydrophobicContact CG-CB 4.34Å; Y66-L82 HydrophobicContact CD1-CD2 4.07Å; Y66-L82 HydrophobicContact CE1-CD2 4.02Å
67T96.4Very high96.7Very high68 Ų68104.3 Ų104.342%0.41755%0.552SS.*G310 helixtrans-68.5-21.4172.562.30000112.9V63 P64 L65 I69V63-T67 HydrophobicContact CG1-CG2 4.01Å; V63-T67 WeakPolarHBondContact CG1-OG1 3.43Å; P64-T67 WeakPolarHBondContact O-CB 3.19Å; P64-T67 VanDerWaalsContact O-CG2 3.32Å; P64-T67 WeakPolarHBondContact O-CG2 3.49Å; P64-T67 PolarHBondContact O-N 3.38Å; P64-T67 VanDerWaalsContact O-N 3.11Å; P64-T67 PolarHBondContact O-OG1 2.88Å; L65-T67 PolarHBondContact O-N 2.58Å; T67-I69 VanDerWaalsContact C-N 3.31Å
68L96.9Very high96.8Very high135 Ų135103.3 Ų103.371%0.70754%0.543SS*.G310 helixtrans-82.3-11176.5-55.9175.1000112.3L65 Y66L65-L68 HydrophobicContact CD2-CD1 4.21Å; L65-L68 WeakPolarHBondContact O-CB 3.45Å; L65-L68 PolarHBondContact O-N 3.45Å; Y66-L68 PolarHBondContact O-N 3.04Å
69I97.3Very high96.7Very high45 Ų45100.1 Ų100.123%0.23153%0.527CS..  trans-85.4122179.3-56.1175000108.7Y66 T67 T74 K75 F78Y66-I69 PolarHBondContact O-N 3.26Å; T67-I69 VanDerWaalsContact C-N 3.31Å; I69-T74 HydrophobicContact CD1-CG2 4.47Å; I69-T74 HydrophobicContact CG2-CG2 4.07Å; I69-K75 HydrophobicContact CB-CB 4.19Å; I69-K75 HydrophobicContact CG2-CB 4.11Å; I69-F78 HydrophobicContact CD1-CB 3.8Å; I69-F78 HydrophobicContact CD1-CD2 4.14Å; I69-F78 HydrophobicContact CD1-CG 3.91Å
70Q95.4Very high96.6Very high189 Ų18997.3 Ų97.388%0.88352%0.518SS*.  trans-81.1-34.1-178.5-63.5-177-0.600113
71D97.4Very high96.6Very high89 Ų8993.3 Ų93.348%0.47651%0.505SS..  trans-75.6124.4178.5174.560.7000111.2G73 T74 K75D71-G73 VanDerWaalsContact C-N 3.34Å; D71-G73 PolarHBondContact O-N 3.35Å; D71-G73 PolarHBondContact OD2-N 2.98Å; D71-T74 VanDerWaalsContact OD2-CB 3.31Å; D71-T74 WeakPolarHBondContact OD2-CB 3.32Å; D71-T74 PolarHBondContact OD2-N 3.05Å; D71-T74 PolarHBondContact OD2-OG1 3.07Å; D71-K75 WeakPolarHBondContact O-CB 3.42Å; D71-K75 PolarHBondContact O-N 2.85Å
72N96.1Very high96.6Very high122 Ų12285.6 Ų85.665%0.65248%0.481SS*.Hα-helixtrans-65.5-35.8-176.6-74.8-23.3000112.6E76N72-E76 PolarHBondContact O-N 3.41Å; N72-E76 VanDerWaalsContact O-N 3.12Å
73G97.6Very high96.5Very high49 Ų4982.7 Ų82.751%0.50546%0.46SS..Hα-helixtrans-65.9-50.7-179.400000111.8D71 K75 E76 A77D71-G73 VanDerWaalsContact C-N 3.34Å; D71-G73 PolarHBondContact O-N 3.35Å; D71-G73 PolarHBondContact OD2-N 2.98Å; G73-K75 VanDerWaalsContact C-N 3.32Å; G73-K75 PolarHBondContact O-N 3.26Å; G73-E76 PolarHBondContact O-N 3.05Å; G73-A77 PolarHBondContact O-N 2.66Å; G73-A77 VanDerWaalsContact O-N 3.08Å
74T96.6Very high96.5Very high78 Ų7878.2 Ų78.248%0.47943%0.433SS..Hα-helixtrans-64.3-37.8177.6-51.90000111.4I69 D71 A77 F78I69-T74 HydrophobicContact CD1-CG2 4.47Å; I69-T74 HydrophobicContact CG2-CG2 4.07Å; D71-T74 VanDerWaalsContact OD2-CB 3.31Å; D71-T74 WeakPolarHBondContact OD2-CB 3.32Å; D71-T74 PolarHBondContact OD2-N 3.05Å; D71-T74 PolarHBondContact OD2-OG1 3.07Å; T74-A77 PolarHBondContact O-N 3.11Å; T74-F78 WeakPolarHBondContact O-CB 3.37Å; T74-F78 PolarHBondContact O-N 3.38Å
75K97.2Very high96.5Very high61 Ų6179 Ų7927%0.26544%0.44SS..Hα-helixtrans-60.4-48.4176.9174.5177.9173.1-173.20112.3Y66 I69 D71 G73 F78 K79Y66-K75 HydrophobicContact CD2-CG 4.27Å; Y66-K75 WeakPolarHBondContact O-CG 3.44Å; I69-K75 HydrophobicContact CB-CB 4.19Å; I69-K75 HydrophobicContact CG2-CB 4.11Å; D71-K75 WeakPolarHBondContact O-CB 3.42Å; D71-K75 PolarHBondContact O-N 2.85Å; G73-K75 VanDerWaalsContact C-N 3.32Å; G73-K75 PolarHBondContact O-N 3.26Å; K75-F78 PolarHBondContact O-N 2.88Å; K75-K79 WeakPolarHBondContact O-CB 3.32Å; K75-K79 PolarHBondContact O-N 3.49Å
76E96.4Very high96.5Very high96 Ų9681.5 Ų81.545%0.44944%0.442SS..Hα-helixtrans-69.7-37.8179.2-69.1-55.4135.400111.9N72 G73 F78 K79 S80N72-E76 PolarHBondContact O-N 3.41Å; N72-E76 VanDerWaalsContact O-N 3.12Å; G73-E76 PolarHBondContact O-N 3.05Å; E76-F78 VanDerWaalsContact C-N 3.35Å; E76-F78 PolarHBondContact O-N 3.27Å; E76-K79 PolarHBondContact O-N 3.38Å; E76-K79 IonicContact OE1-NZ 2.8Å; E76-K79 IonicContact OE2-NZ 2.9Å; E76-K79 PolarHBondContact OE2-NZ 3.02Å; E76-S80 PolarHBondContact O-N 3.07Å; E76-S80 PolarHBondContact O-OG 3.47Å
77A96.1Very high96.5Very high59 Ų5981.7 Ų81.749%0.48844%0.443SS..Hα-helixtrans-63.3-39.117400000112.6G73 T74 S80 A81G73-A77 PolarHBondContact O-N 2.66Å; G73-A77 VanDerWaalsContact O-N 3.08Å; T74-A77 PolarHBondContact O-N 3.11Å; A77-S80 PolarHBondContact O-OG 2.82Å; A77-A81 WeakPolarHBondContact O-CB 3.37Å; A77-A81 PolarHBondContact O-N 3.22Å; A77-A81 VanDerWaalsContact O-N 3.12Å
78F97.1Very high96.5Very high88 Ų8878.4 Ų78.439%0.38642%0.423SS..Hα-helixtrans-67.4-40.1174.8-170.9-80.1000111.3L65 Y66 I69 T74 K75 E76 A81 L82L65-F78 HydrophobicContact CB-CE1 4.41Å; Y66-F78 HydrophobicContact CD1-CD1 4.29Å; I69-F78 HydrophobicContact CD1-CB 3.8Å; I69-F78 HydrophobicContact CD1-CD2 4.14Å; I69-F78 HydrophobicContact CD1-CG 3.91Å; T74-F78 WeakPolarHBondContact O-CB 3.37Å; T74-F78 PolarHBondContact O-N 3.38Å; K75-F78 PolarHBondContact O-N 2.88Å; E76-F78 VanDerWaalsContact C-N 3.35Å; E76-F78 PolarHBondContact O-N 3.27Å; F78-A81 PolarHBondContact O-N 3.24Å; F78-L82 WeakPolarHBondContact O-CB 3.41Å; F78-L82 PolarHBondContact O-N 3.41Å
79K96.3Very high96.5Very high79 Ų7975.3 Ų75.334%0.34341%0.412SS..Hα-helixtrans-63.2-43.9178177.1-179.7157.4-153.10111.6Y66 K75 E76 L82 M83Y66-K79 HydrophobicContact CD1-CB 4.07Å; Y66-K79 HydrophobicContact CD1-CG 4.4Å; Y66-K79 HydrophobicContact CE1-CB 4.27Å; Y66-K79 HydrophobicContact CE1-CG 4.09Å; Y66-K79 HydrophobicContact CG-CB 4.34Å; K75-K79 WeakPolarHBondContact O-CB 3.32Å; K75-K79 PolarHBondContact O-N 3.49Å; E76-K79 PolarHBondContact O-N 3.38Å; E76-K79 IonicContact OE1-NZ 2.8Å; E76-K79 IonicContact OE2-NZ 2.9Å; E76-K79 PolarHBondContact OE2-NZ 3.02Å; K79-L82 PolarHBondContact O-N 2.56Å; K79-M83 VanDerWaalsContact O-CG 3.25Å; K79-M83 WeakPolarHBondContact O-CG 3.43Å; K79-M83 PolarHBondContact O-N 3.13Å
80S95.4Very high96.4Very high63 Ų6375.3 Ų75.344%0.44142%0.424SS..Hα-helixtrans-63.8-44175.860.90000111.8E76 A77 L82 M83 S84E76-S80 PolarHBondContact O-N 3.07Å; E76-S80 PolarHBondContact O-OG 3.47Å; A77-S80 PolarHBondContact O-OG 2.82Å; S80-L82 VanDerWaalsContact C-N 3.34Å; S80-L82 PolarHBondContact O-N 3.09Å; S80-M83 PolarHBondContact O-N 3.42Å; S80-S84 WeakPolarHBondContact O-CB 3.4Å; S80-S84 PolarHBondContact O-N 3.41Å
81A96.3Very high96.4Very high57 Ų5771.3 Ų71.347%0.47140%0.403SS..Hα-helixtrans-61.4-40175.900000112.5A77 F78 S84 S85A77-A81 WeakPolarHBondContact O-CB 3.37Å; A77-A81 PolarHBondContact O-N 3.22Å; A77-A81 VanDerWaalsContact O-N 3.12Å; F78-A81 PolarHBondContact O-N 3.24Å; A81-S84 WeakPolarHBondContact O-CB 3.49Å; A81-S84 PolarHBondContact O-N 2.98Å; A81-S85 WeakPolarHBondContact O-CB 3.46Å; A81-S85 PolarHBondContact O-N 2.87Å
82L96.6Very high96.4Very high69 Ų6967.1 Ų67.136%0.36138%0.381SS..Hα-helixtrans-62.8-45.9175.1-17966000111.2Y66 F78 K79 S80 S84 S85 Y86Y66-L82 HydrophobicContact CD1-CD2 4.07Å; Y66-L82 HydrophobicContact CE1-CD2 4.02Å; F78-L82 WeakPolarHBondContact O-CB 3.41Å; F78-L82 PolarHBondContact O-N 3.41Å; K79-L82 PolarHBondContact O-N 2.56Å; S80-L82 VanDerWaalsContact C-N 3.34Å; S80-L82 PolarHBondContact O-N 3.09Å; L82-S84 PolarHBondContact O-N 3.44Å; L82-S85 PolarHBondContact O-N 3.45Å; L82-S85 PolarHBondContact O-OG 3.12Å; L82-Y86 WeakPolarHBondContact O-CB 3.37Å; L82-Y86 PolarHBondContact O-N 3.38Å
83M96.2Very high96.4Very high61 Ų6165.5 Ų65.530%0.337%0.372SS..Hα-helixtrans-62.8-42.3177.8-68-67-75.600111.6K79 S80 Y86 W87 V94 I146K79-M83 VanDerWaalsContact O-CG 3.25Å; K79-M83 WeakPolarHBondContact O-CG 3.43Å; K79-M83 PolarHBondContact O-N 3.13Å; S80-M83 PolarHBondContact O-N 3.42Å; M83-Y86 PolarHBondContact O-N 2.87Å; M83-W87 WeakPolarHBondContact O-CB 2.99Å; M83-W87 PolarHBondContact O-N 2.97Å; M83-V94 HydrophobicContact CB-CB 4.3Å; M83-V94 HydrophobicContact CB-CG2 3.93Å; M83-V94 HydrophobicContact CE-CG1 4.47Å; M83-I146 HydrophobicContact CE-CD1 3.65Å
84S96.4Very high96.3Very high13 Ų1365 Ų659%0.09136%0.359CS..Hα-helixtrans-57.3-47.8173173.80000111.8S80 A81 L82 Y86 C88 S89 G90 G92S80-S84 WeakPolarHBondContact O-CB 3.4Å; S80-S84 PolarHBondContact O-N 3.41Å; A81-S84 WeakPolarHBondContact O-CB 3.49Å; A81-S84 PolarHBondContact O-N 2.98Å; L82-S84 PolarHBondContact O-N 3.44Å; S84-Y86 VanDerWaalsContact C-N 3.32Å; S84-Y86 PolarHBondContact O-N 3.42Å; S84-C88 CarbonylContact O-C 3.56Å; S84-C88 VanDerWaalsContact O-C 3.24Å; S84-C88 WeakPolarHBondContact O-CA 3.2Å; S84-C88 WeakPolarHBondContact O-CB 3.21Å; S84-C88 PolarHBondContact O-N 2.77Å; S84-S89 PolarHBondContact O-N 2.71Å; S84-G90 PolarHBondContact O-N 3.45Å; S84-G92 WeakPolarHBondContact CB-O 3.49Å; S84-G92 PolarHBondContact OG-O 3.27Å
85S96.4Very high96.2Very high67 Ų6764 Ų6447%0.46935%0.351SS..Hα-helixtrans-63.6-37-179.673.20000113.1A81 L82A81-S85 WeakPolarHBondContact O-CB 3.46Å; A81-S85 PolarHBondContact O-N 2.87Å; L82-S85 PolarHBondContact O-N 3.45Å; L82-S85 PolarHBondContact O-OG 3.12Å
86Y96.2Very high95.9Very high171 Ų17168 Ų6867%0.67138%0.375SS*.Hα-helixtrans-83.9-44.3-174.3-170.2-92.3000112.5L82 M83 S84L82-Y86 WeakPolarHBondContact O-CB 3.37Å; L82-Y86 PolarHBondContact O-N 3.38Å; M83-Y86 PolarHBondContact O-N 2.87Å; S84-Y86 VanDerWaalsContact C-N 3.32Å; S84-Y86 PolarHBondContact O-N 3.42Å
87W96.8Very high95.7Very high56 Ų5667.1 Ų67.121%0.21237%0.373CS..Hα-helixtrans-98.3-32.5-173.7-62.2108.8000113.8M83 V94 P144 A145 I146M83-W87 WeakPolarHBondContact O-CB 2.99Å; M83-W87 PolarHBondContact O-N 2.97Å; W87-V94 HydrophobicContact CB-CG2 4.01Å; W87-V94 HydrophobicContact CG-CG2 4.48Å; W87-P144 HydrophobicContact CE3-CB 4.47Å; W87-P144 HydrophobicContact CZ3-CB 4.13Å; W87-A145 HydrophobicContact CH2-CB 3.99Å; W87-A145 HydrophobicContact CZ3-CB 4.39Å; W87-I146 HydrophobicContact CB-CG2 4.18Å; W87-I146 HydrophobicContact CD2-CB 3.7Å; W87-I146 HydrophobicContact CD2-CD1 4.39Å; W87-I146 HydrophobicContact CD2-CG1 4.42Å; W87-I146 HydrophobicContact CD2-CG2 4.28Å; W87-I146 HydrophobicContact CE3-CB 3.89Å; W87-I146 VanDerWaalsContact CE3-O 3.32Å; W87-I146 HydrophobicContact CG-CB 3.98Å; W87-I146 HydrophobicContact CG-CG2 4.02Å; W87-I146 HydrophobicContact CZ2-CD1 4.23Å; W87-I146 HydrophobicContact CZ2-CG1 4.44Å; W87-I146 HydrophobicContact CZ3-CB 4.39Å
88C96.4Very high95.7Very high0 Ų069.9 Ų69.90%037%0.371CS..SBendtrans-115.820.6-172-42.50000112.5S84 G90 K91 G92 V94 C99 C114S84-C88 CarbonylContact O-C 3.56Å; S84-C88 VanDerWaalsContact O-C 3.24Å; S84-C88 WeakPolarHBondContact O-CA 3.2Å; S84-C88 WeakPolarHBondContact O-CB 3.21Å; S84-C88 PolarHBondContact O-N 2.77Å; C88-G90 PolarHBondContact O-N 3.4Å; C88-K91 PolarHBondContact O-N 3.35Å; C88-G92 WeakPolarHBondContact CB-O 3.32Å; C88-V94 WeakPolarHBondContact SG-CG2 3.3Å; C88-C99 VanDerWaalsContact CA-SG 3.51Å; C88-C99 HydrophobicContact CB-CB 3.83Å; C88-C99 WeakPolarHBondContact CB-SG 3.33Å; C88-C99 WeakPolarHBondContact SG-CB 3.31Å; C88-C99 CovalentContact SG-SG 2.04Å; C88-C99 PolarHBondContact SG-SG 2.93Å; C88-C114 CarbonylContact C-O 3.59Å; C88-C114 WeakPolarHBondContact CA-O 3.25Å; C88-C114 HydrophobicContact CB-CB 4.4Å; C88-C114 WeakPolarHBondContact O-CB 3.35Å; C88-C114 VanDerWaalsContact O-O 3.07Å
89S95.7Very high95.6Very high69 Ų6966.4 Ų66.448%0.48336%0.357SS..THydrogen-bonded Turntrans53.323.2-179.6-48.70000114.5S84 K91 C114S84-S89 PolarHBondContact O-N 2.71Å; S89-K91 VanDerWaalsContact C-N 3.28Å; S89-K91 PolarHBondContact O-N 3.03Å; S89-C114 VanDerWaalsContact CB-O 3.27Å; S89-C114 WeakPolarHBondContact CB-O 3.45Å; S89-C114 PolarHBondContact N-O 3Å; S89-C114 PolarHBondContact OG-O 3.41Å
90G95.5Very high95.6Very high46 Ų4670 Ų7047%0.47437%0.369SS..THydrogen-bonded Turntrans70.715.2-17600000115.2S84 C88S84-G90 PolarHBondContact O-N 3.45Å; C88-G90 PolarHBondContact O-N 3.4Å
91K96.3Very high95.7Very high105 Ų10568.1 Ų68.146%0.45736%0.355SS..SBendtrans-121.535.9-179.1-53.7-176.7178.6179.40113.1C88 S89 D102 A105 C114C88-K91 PolarHBondContact O-N 3.35Å; S89-K91 VanDerWaalsContact C-N 3.28Å; S89-K91 PolarHBondContact O-N 3.03Å; K91-D102 PolarHBondContact O-N 3.44Å; K91-A105 HydrophobicContact CB-CB 3.69Å; K91-A105 HydrophobicContact CD-CB 4.01Å; K91-C114 HydrophobicContact CB-CB 4.27Å
92G95.9Very high95.7Very high1 Ų169.2 Ų69.21%0.0135%0.353CS..EExtended strand (participates in β ladder)trans169.8164.2-179.300000112S84 C88 R100S84-G92 WeakPolarHBondContact CB-O 3.49Å; S84-G92 PolarHBondContact OG-O 3.27Å; C88-G92 WeakPolarHBondContact CB-O 3.32Å; G92-R100 CarbonylContact C-O 3.58Å; G92-R100 WeakPolarHBondContact CA-O 3.45Å
93D96.4Very high95.5Very high87 Ų8773.8 Ų73.847%0.46538%0.377SS..EExtended strand (participates in β ladder)trans-100147.3-179.2-69.3-39.6000111.2C99 R100D93-C99 CarbonylContact O-C 3.49Å; D93-R100 PolarHBondContact N-O 2.94Å; D93-R100 PolarHBondContact O-N 2.92Å
94V96.8Very high95.3Very high38 Ų3875.3 Ų75.323%0.2339%0.394CS..EExtended strand (participates in β ladder)trans-84.1123.7172.1178.50000109.2M83 W87 C88 I146M83-V94 HydrophobicContact CB-CB 4.3Å; M83-V94 HydrophobicContact CB-CG2 3.93Å; M83-V94 HydrophobicContact CE-CG1 4.47Å; W87-V94 HydrophobicContact CB-CG2 4.01Å; W87-V94 HydrophobicContact CG-CG2 4.48Å; C88-V94 WeakPolarHBondContact SG-CG2 3.3Å; V94-I146 HydrophobicContact CG1-CG2 3.62Å; V94-I146 HydrophobicContact CG2-CG2 4.32Å
95I93.9Very high95.2Very high59 Ų5975 Ų7530%0.30339%0.392SS..EExtended strand (participates in β ladder)trans-120.5116.6172.7-56.3-179.4000106.9D97 W98 R100I95-D97 PolarHBondContact O-N 2.95Å; I95-W98 HydrophobicContact CB-CZ2 4.1Å; I95-W98 HydrophobicContact CD1-CH2 4.26Å; I95-W98 HydrophobicContact CD1-CZ2 4.09Å; I95-W98 HydrophobicContact CG2-CZ2 4.23Å; I95-W98 PolarHBondContact N-O 3.42Å; I95-W98 PolarHBondContact O-N 3.24Å; I95-W98 PolarHBondContact O-NE1 2.88Å; I95-W98 VanDerWaalsContact O-O 3.1Å; I95-R100 HydrophobicContact CD1-CB 3.81Å; I95-R100 HydrophobicContact CD1-CG 4.35Å; I95-R100 HydrophobicContact CG1-CB 4.29Å
96D91.3Very high95.2Very high143 Ų14375.9 Ų75.977%0.76539%0.388SS*.THydrogen-bonded Turntrans51.4-105.9-172.9-58.1-45.4000112.1
97D92.3Very high95Very high78 Ų7870.5 Ų70.542%0.41737%0.37SS..THydrogen-bonded Turntrans-113.812.1-178.577.1-36.4000114.2I95 I146 G147 K149I95-D97 PolarHBondContact O-N 2.95Å; D97-I146 WeakPolarHBondContact O-CA 3.13Å; D97-G147 PolarHBondContact O-N 3.5Å; D97-K149 VanDerWaalsContact OD2-CE 3.24Å; D97-K149 WeakPolarHBondContact OD2-CE 3.39Å; D97-K149 IonicContact OD2-NZ 3.06Å; D97-K149 PolarHBondContact OD2-NZ 3.32Å
98W94.6Very high94.9Very high118 Ų11873 Ų7345%0.44740%0.403SS..EExtended strand (participates in β ladder)trans-131.4160179.367-79.3000113I95 R100I95-W98 HydrophobicContact CB-CZ2 4.1Å; I95-W98 HydrophobicContact CD1-CH2 4.26Å; I95-W98 HydrophobicContact CD1-CZ2 4.09Å; I95-W98 HydrophobicContact CG2-CZ2 4.23Å; I95-W98 PolarHBondContact N-O 3.42Å; I95-W98 PolarHBondContact O-N 3.24Å; I95-W98 PolarHBondContact O-NE1 2.88Å; I95-W98 VanDerWaalsContact O-O 3.1Å; W98-R100 HydrophobicContact CE3-CB 4.46Å; W98-R100 HydrophobicContact CH2-CB 3.97Å; W98-R100 HydrophobicContact CH2-CG 4.28Å; W98-R100 HydrophobicContact CZ3-CB 3.74Å; W98-R100 HydrophobicContact CZ3-CG 4.25Å
99C96.4Very high94.8Very high14 Ų1479.3 Ų79.310%0.09544%0.437CS..EExtended strand (participates in β ladder)trans-98.4120.4178.2-76.70000110.7C88 D93 C101C88-C99 VanDerWaalsContact CA-SG 3.51Å; C88-C99 HydrophobicContact CB-CB 3.83Å; C88-C99 WeakPolarHBondContact CB-SG 3.33Å; C88-C99 WeakPolarHBondContact SG-CB 3.31Å; C88-C99 CovalentContact SG-SG 2.04Å; C88-C99 PolarHBondContact SG-SG 2.93Å; D93-C99 CarbonylContact O-C 3.49Å; C99-C101 PolarHBondContact O-N 3.22Å
100R96.6Very high94.7Very high156 Ų15678.2 Ų78.259%0.58944%0.437SS*.EExtended strand (participates in β ladder)trans-8398.7166.8-176.6-176.7179.6-1751.3109.2G92 D93 I95 W98G92-R100 CarbonylContact C-O 3.58Å; G92-R100 WeakPolarHBondContact CA-O 3.45Å; D93-R100 PolarHBondContact N-O 2.94Å; D93-R100 PolarHBondContact O-N 2.92Å; I95-R100 HydrophobicContact CD1-CB 3.81Å; I95-R100 HydrophobicContact CD1-CG 4.35Å; I95-R100 HydrophobicContact CG1-CB 4.29Å; W98-R100 HydrophobicContact CE3-CB 4.46Å; W98-R100 HydrophobicContact CH2-CB 3.97Å; W98-R100 HydrophobicContact CH2-CG 4.28Å; W98-R100 HydrophobicContact CZ3-CB 3.74Å; W98-R100 HydrophobicContact CZ3-CG 4.25Å
101C96.5Very high94.7Very high22 Ų2281 Ų8115%0.14944%0.44CS..EExtended strand (participates in β ladder)trans-70.9141.8-179.3-55.90000112.9C99 A105 P112 C114C99-C101 PolarHBondContact O-N 3.22Å; C101-A105 HydrophobicContact CB-CB 4.14Å; C101-P112 HydrophobicContact CB-CB 4.24Å; C101-P112 VanDerWaalsContact SG-CB 3.54Å; C101-C114 WeakPolarHBondContact CA-SG 3.44Å; C101-C114 HydrophobicContact CB-CB 3.71Å; C101-C114 WeakPolarHBondContact CB-SG 3.44Å; C101-C114 WeakPolarHBondContact SG-CB 3.36Å; C101-C114 PolarHBondContact SG-N 2.72Å; C101-C114 VanDerWaalsContact SG-N 3.41Å; C101-C114 CovalentContact SG-SG 2.03Å; C101-C114 PolarHBondContact SG-SG 3.41Å
102D95.7Very high94.6Very high80 Ų8080.1 Ų80.143%0.42845%0.445SS..  trans-69.8158.4169-66.6-35000111.1K91 S104 A105 F106K91-D102 PolarHBondContact O-N 3.44Å; D102-S104 PolarHBondContact O-N 3.34Å; D102-A105 WeakPolarHBondContact O-CB 3.48Å; D102-A105 PolarHBondContact O-N 2.76Å; D102-F106 WeakPolarHBondContact O-CD2 3.48Å; D102-F106 WeakPolarHBondContact O-CE2 3.33Å
103L93.3Very high94.6Very high166 Ų16684.8 Ų84.887%0.86947%0.47SS*.G310 helixtrans-58-23.3180-64.8175.5000113.7A105 F106L103-A105 VanDerWaalsContact C-N 3.28Å; L103-A105 PolarHBondContact O-N 2.74Å; L103-F106 HydrophobicContact CD2-CE2 4.31Å
104S92Very high94.6Very high93 Ų9380.6 Ų80.665%0.6545%0.447SS*.G310 helixtrans-80.5-6.1177.662.70000114D102D102-S104 PolarHBondContact O-N 3.34Å
105A94.3Very high94.5Very high7 Ų779.3 Ų79.36%0.05844%0.44CS..G310 helixtrans-107.612.3-174.300000113.7K91 C101 D102 L103 N113 C114K91-A105 HydrophobicContact CB-CB 3.69Å; K91-A105 HydrophobicContact CD-CB 4.01Å; C101-A105 HydrophobicContact CB-CB 4.14Å; D102-A105 WeakPolarHBondContact O-CB 3.48Å; D102-A105 PolarHBondContact O-N 2.76Å; L103-A105 VanDerWaalsContact C-N 3.28Å; L103-A105 PolarHBondContact O-N 2.74Å; A105-N113 CarbonylContact O-C 3.47Å; A105-N113 WeakPolarHBondContact O-CA 3.24Å; A105-N113 VanDerWaalsContact O-CB 3.29Å; A105-N113 WeakPolarHBondContact O-CB 3.49Å; A105-N113 PolarHBondContact O-N 3.3Å; A105-C114 HydrophobicContact CB-CB 3.83Å
106F95.4Very high94.5Very high85 Ų8579.6 Ų79.637%0.37345%0.446SS..BIsolated β-bridgetrans-83.5143.4172.5-69.7-96.9000110.6D102 L103 G110 L111 P112D102-F106 WeakPolarHBondContact O-CD2 3.48Å; D102-F106 WeakPolarHBondContact O-CE2 3.33Å; L103-F106 HydrophobicContact CD2-CE2 4.31Å; F106-G110 VanDerWaalsContact CD1-O 3.32Å; F106-G110 WeakPolarHBondContact CD1-O 3.27Å; F106-L111 CarbonylContact C-O 3.24Å; F106-L111 VanDerWaalsContact CA-O 3.28Å; F106-L111 WeakPolarHBondContact CA-O 3.49Å; F106-P112 HydrophobicContact CD1-CG 4.4Å; F106-P112 HydrophobicContact CE1-CB 4.33Å; F106-P112 HydrophobicContact CE1-CG 3.84Å
107D93.4Very high94.6Very high57 Ų5778.2 Ų78.231%0.30544%0.438SS..  trans-78-175.9176.876.8-2.6000112.4N109 G110 L111 N113D107-N109 PolarHBondContact O-N 3.45Å; D107-N109 VanDerWaalsContact O-N 3.15Å; D107-N109 WeakPolarHBondContact OD1-CA 3.38Å; D107-N109 WeakPolarHBondContact OD1-CB 3.43Å; D107-N109 PolarHBondContact OD1-N 2.89Å; D107-G110 PolarHBondContact O-N 3.35Å; D107-G110 PolarHBondContact OD1-N 3.43Å; D107-L111 PolarHBondContact N-O 3.2Å; D107-L111 PolarHBondContact OD1-N 2.89Å; D107-N113 HydrophobicContact CB-CB 4.2Å
108A94.3Very high94.6Very high108 Ų10879.9 Ų79.989%0.89345%0.446SS*.THydrogen-bonded Turntrans-61.2-21.217900000113.9
109N94.6Very high94.6Very high133 Ų13382.5 Ų82.571%0.71146%0.463SS*.THydrogen-bonded Turntrans-94.80.1179.4-55.7-50.8000112.3D107 L111D107-N109 PolarHBondContact O-N 3.45Å; D107-N109 VanDerWaalsContact O-N 3.15Å; D107-N109 WeakPolarHBondContact OD1-CA 3.38Å; D107-N109 WeakPolarHBondContact OD1-CB 3.43Å; D107-N109 PolarHBondContact OD1-N 2.89Å; N109-L111 VanDerWaalsContact C-N 3.34Å; N109-L111 HydrophobicContact CB-CD1 4.41Å; N109-L111 HydrophobicContact CB-CG 4.25Å
110G93.6Very high94.4Very high47 Ų4784.5 Ų84.549%0.48548%0.476SS..SBendtrans74.324.8-174.900000113.2F106 D107F106-G110 VanDerWaalsContact CD1-O 3.32Å; F106-G110 WeakPolarHBondContact CD1-O 3.27Å; D107-G110 PolarHBondContact O-N 3.35Å; D107-G110 PolarHBondContact OD1-N 3.43Å
111L94.6Very high94.3Very high104 Ų10481.3 Ų81.355%0.54547%0.473SS..  trans-95.4143.9174.6-61.6177.6000111.1F106 D107 N109 N113F106-L111 CarbonylContact C-O 3.24Å; F106-L111 VanDerWaalsContact CA-O 3.28Å; F106-L111 WeakPolarHBondContact CA-O 3.49Å; D107-L111 PolarHBondContact N-O 3.2Å; D107-L111 PolarHBondContact OD1-N 2.89Å; N109-L111 VanDerWaalsContact C-N 3.34Å; N109-L111 HydrophobicContact CB-CD1 4.41Å; N109-L111 HydrophobicContact CB-CG 4.25Å; L111-N113 PolarHBondContact O-N 3.35Å
112P95.3Very high94.1Very high86 Ų8684.6 Ų84.656%0.55849%0.489SS*.BIsolated β-bridgetrans-60.9126.3177.1-18.229000111.7C101 F106C101-P112 HydrophobicContact CB-CB 4.24Å; C101-P112 VanDerWaalsContact SG-CB 3.54Å; F106-P112 HydrophobicContact CD1-CG 4.4Å; F106-P112 HydrophobicContact CE1-CB 4.33Å; F106-P112 HydrophobicContact CE1-CG 3.84Å
113N95.4Very high94Very high99 Ų9989 Ų8953%0.52950%0.5SS..  trans-129.423.1-176.6-165.830.3000113.1A105 D107 L111A105-N113 CarbonylContact O-C 3.47Å; A105-N113 WeakPolarHBondContact O-CA 3.24Å; A105-N113 VanDerWaalsContact O-CB 3.29Å; A105-N113 WeakPolarHBondContact O-CB 3.49Å; A105-N113 PolarHBondContact O-N 3.3Å; D107-N113 HydrophobicContact CB-CB 4.2Å; L111-N113 PolarHBondContact O-N 3.35Å
114C95.4Very high93.9Very high0 Ų085.8 Ų85.80%048%0.483CS..SBendtrans-79-33.617866.70000113C88 S89 K91 C101 A105C88-C114 CarbonylContact C-O 3.59Å; C88-C114 WeakPolarHBondContact CA-O 3.25Å; C88-C114 HydrophobicContact CB-CB 4.4Å; C88-C114 WeakPolarHBondContact O-CB 3.35Å; C88-C114 VanDerWaalsContact O-O 3.07Å; S89-C114 VanDerWaalsContact CB-O 3.27Å; S89-C114 WeakPolarHBondContact CB-O 3.45Å; S89-C114 PolarHBondContact N-O 3Å; S89-C114 PolarHBondContact OG-O 3.41Å; K91-C114 HydrophobicContact CB-CB 4.27Å; C101-C114 WeakPolarHBondContact CA-SG 3.44Å; C101-C114 HydrophobicContact CB-CB 3.71Å; C101-C114 WeakPolarHBondContact CB-SG 3.44Å; C101-C114 WeakPolarHBondContact SG-CB 3.36Å; C101-C114 PolarHBondContact SG-N 2.72Å; C101-C114 VanDerWaalsContact SG-N 3.41Å; C101-C114 CovalentContact SG-SG 2.03Å; C101-C114 PolarHBondContact SG-SG 3.41Å; A105-C114 HydrophobicContact CB-CB 3.83Å
115S96.2Very high93.9Very high10 Ų1081.8 Ų81.87%0.0746%0.455CS..SBendtrans-94.7124.8173.6169.30000109.7L117 T148S115-L117 PolarHBondContact O-N 3.33Å; S115-T148 VanDerWaalsContact CB-OG1 3.25Å; S115-T148 WeakPolarHBondContact CB-OG1 3.47Å; S115-T148 PolarHBondContact O-OG1 3.44Å; S115-T148 VanDerWaalsContact O-OG1 3.07Å; S115-T148 PolarHBondContact OG-N 3.06Å; S115-T148 PolarHBondContact OG-OG1 3.24Å
116P93.4Very high93.8Very high66 Ų6686.9 Ų86.943%0.42949%0.487SS..  trans-70129.6-173.928.1-34000111.7
117L93.1Very high93.7Very high114 Ų11488.5 Ų88.560%0.59751%0.505SS*.  trans-90.9108.9165.9-179.761.2000108.9S115 V142 T148 V150S115-L117 PolarHBondContact O-N 3.33Å; L117-V142 HydrophobicContact CD1-CG2 4.06Å; L117-T148 HydrophobicContact CB-CG2 4.36Å; L117-T148 HydrophobicContact CD1-CG2 4.01Å; L117-V150 HydrophobicContact CD1-CG2 4.27Å
118L93.2Very high93.6Very high112 Ų11288.7 Ų88.759%0.58651%0.508SS*.PPolyproline II helixtrans-74.6152.4-179.5-58.8176.7000111.3V142L118-V142 HydrophobicContact CB-CB 4.15Å; L118-V142 HydrophobicContact CB-CG1 4.28Å
119Q93.5Very high93.5Very high174 Ų17492 Ų9281%0.81351%0.505SS*.PPolyproline II helixtrans-76.5124.7176.3-173.517631.900110.5V121Q119-V121 PolarHBondContact O-N 3.09Å
120P93.3Very high93.5Very high55 Ų5589.3 Ų89.336%0.35749%0.494SS..PPolyproline II helixtrans-69.3131.3174.927.1-32.7000110.4V142 Y153P120-V142 HydrophobicContact CB-CG1 3.89Å; P120-Y153 HydrophobicContact CB-CE1 4.03Å; P120-Y153 HydrophobicContact CG-CD1 4.43Å; P120-Y153 HydrophobicContact CG-CE1 4.24Å
121V94.3Very high93.4Very high89 Ų8990 Ų9054%0.53949%0.492SS..  trans-94.4103.9178.4-176.60000109Q119 R123Q119-V121 PolarHBondContact O-N 3.09Å; V121-R123 HydrophobicContact CG1-CG 4.11Å
122L91.8Very high93.1Very high91 Ų9191 Ų9148%0.47651%0.507SS..  trans-74.3129.1175.9-169.166.3000110.5L137 W139 L155L122-L137 HydrophobicContact CD1-CB 4.01Å; L122-L137 HydrophobicContact CD2-CD1 4.35Å; L122-L137 HydrophobicContact CG-CD2 4.47Å; L122-W139 HydrophobicContact CD1-CD2 4.48Å; L122-W139 HydrophobicContact CD1-CE3 3.68Å; L122-W139 HydrophobicContact CD1-CZ3 4.27Å; L122-L155 HydrophobicContact CD1-CD1 4.11Å; L122-L155 HydrophobicContact CD2-CD1 4.16Å
123R93.4Very high92.7Very high174 Ų17492.8 Ų92.866%0.65752%0.517SS*.EExtended strand (participates in β ladder)trans-132.8157.2-179.5-62.5-175.1177.3178.2-0.1111.1V121 L137 E138V121-R123 HydrophobicContact CG1-CG 4.11Å; R123-L137 CarbonylContact O-C 2.94Å; R123-L137 VanDerWaalsContact O-CA 3.32Å; R123-L137 WeakPolarHBondContact O-CA 3.25Å; R123-E138 PolarHBondContact N-O 3.43Å; R123-E138 PolarHBondContact O-N 3.47Å
124L92.4Very high92.3Very high98 Ų9891.9 Ų91.951%0.51352%0.515SS..EExtended strand (participates in β ladder)trans-70145.4164.6-69.5169.2000109.4V135 L137L124-V135 HydrophobicContact CD2-CG1 3.86Å; L124-L137 HydrophobicContact CD2-CD2 3.94Å
125S92Very high92Very high8 Ų896.4 Ų96.46%0.05654%0.542CS..  trans-61.2130.2174-177.50000110.3T127 S136 E138S125-T127 PolarHBondContact O-N 2.8Å; S125-T127 PolarHBondContact OG-N 3Å; S125-T127 PolarHBondContact OG-OG1 3.48Å; S125-T127 VanDerWaalsContact OG-OG1 3.09Å; S125-S136 WeakPolarHBondContact CB-OG 3.16Å; S125-S136 PolarHBondContact N-O 2.93Å; S125-E138 WeakPolarHBondContact CB-OE1 3.49Å; S125-E138 PolarHBondContact OG-OE1 2.99Å
126P92.1Very high91.6Very high114 Ų11497.8 Ų97.874%0.7455%0.552SS**THydrogen-bonded Turntrans-71.6-12176.829.4-34.1000112.9E138P126-E138 WeakPolarHBondContact CD-OE2 3.12Å
127T92.3Very high91.4Very high120 Ų12098 Ų9874%0.73655%0.549SS*.THydrogen-bonded Turntrans-102-16.3-176.863.70000113.7S125S125-T127 PolarHBondContact O-N 2.8Å; S125-T127 PolarHBondContact OG-N 3Å; S125-T127 PolarHBondContact OG-OG1 3.48Å; S125-T127 VanDerWaalsContact OG-OG1 3.09Å
128V91.2Very high91.1Very high61 Ų6195.5 Ų95.537%0.3753%0.534SS..SBendtrans-130.4101.8-176.1-175.50000109.2
129E93.4Very high91.1Very high178 Ų17891 Ų9183%0.83251%0.509SS*.  trans-65.6140.2172.3-68.9-177.6170.800110.6
130P93.6Very high90.9Very high75 Ų7587.6 Ų87.649%0.48750%0.5SS..  trans-66.4140179.927.8-33.9000111V134 V135P130-V134 WeakPolarHBondContact CA-O 3.01Å; P130-V135 HydrophobicContact CB-CG2 4.28Å
131S91.8Very high90.8Very high62 Ų6288 Ų8843%0.43450%0.5SS..  trans-110.4-179.3171.870.60000110.6T133 V134S131-T133 PolarHBondContact O-N 3.24Å; S131-T133 VanDerWaalsContact O-N 3.07Å; S131-T133 PolarHBondContact OG-N 3.44Å; S131-V134 PolarHBondContact N-O 3.29Å; S131-V134 WeakPolarHBondContact OG-CB 3.4Å; S131-V134 PolarHBondContact OG-N 3.29Å
132S89.2Confident90.8Very high125 Ų12584.8 Ų84.887%0.87448%0.48SS*.SBendtrans-60.2-17.7176.355.70000114.3
133T86.8Confident90.9Very high123 Ų12384 Ų8476%0.75547%0.474SS*.SBendtrans-130.2-16.7-175560000114.3S131S131-T133 PolarHBondContact O-N 3.24Å; S131-T133 VanDerWaalsContact O-N 3.07Å; S131-T133 PolarHBondContact OG-N 3.44Å
134V86.2Confident90.9Very high81 Ų8177.3 Ų77.349%0.49145%0.453SS..  trans-124.9127.3-174.4-177.40000110P130 S131P130-V134 WeakPolarHBondContact CA-O 3.01Å; S131-V134 PolarHBondContact N-O 3.29Å; S131-V134 WeakPolarHBondContact OG-CB 3.4Å; S131-V134 PolarHBondContact OG-N 3.29Å
135V88.6Confident90.9Very high94 Ų9476.2 Ų76.257%0.5746%0.458SS*.  trans-129.7129.5172.7-177.80000107.9L124 P130 L137L124-V135 HydrophobicContact CD2-CG1 3.86Å; P130-V135 HydrophobicContact CB-CG2 4.28Å; V135-L137 HydrophobicContact CG1-CD2 4.21Å; V135-L137 HydrophobicContact CG1-CG 4.28Å
136S88.2Confident91.1Very high39 Ų3977.2 Ų77.227%0.27346%0.462SS..  trans-111.9130.3177.1-175.60000109.9S125S125-S136 WeakPolarHBondContact CB-OG 3.16Å; S125-S136 PolarHBondContact N-O 2.93Å
137L88.8Confident91.2Very high70 Ų7072.1 Ų72.137%0.36643%0.431SS..EExtended strand (participates in β ladder)trans-124141.5-175.4-62169.4000110.1L122 R123 L124 V135 L155L122-L137 HydrophobicContact CD1-CB 4.01Å; L122-L137 HydrophobicContact CD2-CD1 4.35Å; L122-L137 HydrophobicContact CG-CD2 4.47Å; R123-L137 CarbonylContact O-C 2.94Å; R123-L137 VanDerWaalsContact O-CA 3.32Å; R123-L137 WeakPolarHBondContact O-CA 3.25Å; L124-L137 HydrophobicContact CD2-CD2 3.94Å; V135-L137 HydrophobicContact CG1-CD2 4.21Å; V135-L137 HydrophobicContact CG1-CG 4.28Å; L137-L155 HydrophobicContact CD1-CD1 4.47Å
138E88.3Confident91.3Very high62 Ų6268.1 Ų68.129%0.2941%0.406SS..EExtended strand (participates in β ladder)trans-133.4148-179.6-67.2176.6-16500110.4R123 S125 P126R123-E138 PolarHBondContact N-O 3.43Å; R123-E138 PolarHBondContact O-N 3.47Å; S125-E138 WeakPolarHBondContact CB-OE1 3.49Å; S125-E138 PolarHBondContact OG-OE1 2.99Å; P126-E138 WeakPolarHBondContact CD-OE2 3.12Å
139W91.5Very high91.4Very high18 Ų1869.6 Ų69.67%0.06841%0.407CS..  trans-149.4151.5169.863.595.7000109.5L122 Y153 F177 M191 T194L122-W139 HydrophobicContact CD1-CD2 4.48Å; L122-W139 HydrophobicContact CD1-CE3 3.68Å; L122-W139 HydrophobicContact CD1-CZ3 4.27Å; W139-Y153 AromaticContact CD1-CE1 3.87Å; W139-Y153 HydrophobicContact CZ2-CG 4.38Å; W139-Y153 AromaticContact NE1-CD1 3.59Å; W139-Y153 AromaticContact NE1-CD2 3.83Å; W139-Y153 AromaticContact NE1-CE1 3.65Å; W139-Y153 AromaticContact NE1-CE2 3.89Å; W139-Y153 AromaticContact NE1-CG 3.68Å; W139-Y153 AromaticContact NE1-CZ 3.81Å; W139-F177 AromaticContact CH2-CD2 3.98Å; W139-F177 HydrophobicContact CH2-CD2 3.98Å; W139-F177 AromaticContact CH2-CE2 3.79Å; W139-F177 HydrophobicContact CH2-CE2 3.79Å; W139-F177 AromaticContact CZ2-CD2 3.56Å; W139-F177 HydrophobicContact CZ2-CD2 3.56Å; W139-F177 AromaticContact CZ2-CE2 3.41Å; W139-F177 HydrophobicContact CZ2-CE2 3.41Å; W139-F177 VanDerWaalsContact CZ2-CE2 3.41Å; W139-M191 HydrophobicContact CH2-CB 4.15Å; W139-M191 HydrophobicContact CH2-CE 4.13Å; W139-M191 HydrophobicContact CH2-CG 4.18Å; W139-M191 HydrophobicContact CH2-SD 3.72Å; W139-T194 PolarHBondContact O-OG1 3.15Å
140V91Very high91.3Very high103 Ų10362.6 Ų62.662%0.62438%0.377SS*.  trans-89.2140.5175.9179.60000108.8V142V140-V142 PolarHBondContact O-N 2.97Å
141D91.1Very high91.2Very high64 Ų6464.1 Ų64.134%0.34239%0.389SS..  trans-59.4129.7177.5-167.94000111Q143 Y153 P193D141-Q143 VanDerWaalsContact C-N 3.32Å; D141-Q143 WeakPolarHBondContact OD1-CB 3.28Å; D141-Q143 PolarHBondContact OD1-N 2.94Å; D141-Q143 VanDerWaalsContact OD1-N 3.09Å; D141-Y153 WeakPolarHBondContact CA-OH 3.49Å; D141-Y153 PolarHBondContact OD1-OH 2.9Å; D141-P193 HydrophobicContact CB-CB 4.35Å
142V93.8Very high91Very high21 Ų2163.4 Ų63.413%0.12738%0.38CS..  trans-88.7-0.9178.7-62.70000112.9L117 L118 P120 V140 P144 V150 Y153L117-V142 HydrophobicContact CD1-CG2 4.06Å; L118-V142 HydrophobicContact CB-CB 4.15Å; L118-V142 HydrophobicContact CB-CG1 4.28Å; P120-V142 HydrophobicContact CB-CG1 3.89Å; V140-V142 PolarHBondContact O-N 2.97Å; V142-P144 VanDerWaalsContact O-CD 3.32Å; V142-P144 WeakPolarHBondContact O-CD 3.13Å; V142-V150 HydrophobicContact CG2-CG2 3.85Å; V142-Y153 HydrophobicContact CG2-CE1 4.33Å; V142-Y153 PolarHBondContact N-OH 3.45Å
143Q93.4Very high90.9Very high75 Ų7559 Ų5935%0.3535%0.345SS..  trans-65.5119.4179.5-171170.8-89.900111.6D141 K149 V150D141-Q143 VanDerWaalsContact C-N 3.32Å; D141-Q143 WeakPolarHBondContact OD1-CB 3.28Å; D141-Q143 PolarHBondContact OD1-N 2.94Å; D141-Q143 VanDerWaalsContact OD1-N 3.09Å; Q143-K149 HydrophobicContact CG-CD 4.27Å; Q143-K149 VanDerWaalsContact OE1-CA 3.29Å; Q143-V150 HydrophobicContact CB-CB 4.4Å; Q143-V150 HydrophobicContact CB-CG2 3.81Å; Q143-V150 HydrophobicContact CG-CG2 4.43Å
144P93.4Very high90.9Very high32 Ų3258.4 Ų58.421%0.20834%0.336CS..  trans-69161.6172.430.3-37000111.8W87 V142 I146 T148W87-P144 HydrophobicContact CE3-CB 4.47Å; W87-P144 HydrophobicContact CZ3-CB 4.13Å; V142-P144 VanDerWaalsContact O-CD 3.32Å; V142-P144 WeakPolarHBondContact O-CD 3.13Å; P144-I146 VanDerWaalsContact C-N 3.28Å; P144-I146 WeakPolarHBondContact CB-O 3.05Å; P144-I146 WeakPolarHBondContact CG-O 3.09Å; P144-I146 PolarHBondContact O-N 2.96Å; P144-T148 VanDerWaalsContact CD-O 3.3Å; P144-T148 WeakPolarHBondContact CD-O 3.3Å; P144-T148 WeakPolarHBondContact CG-O 3.08Å
145A93.1Very high90.9Very high75 Ų7555.9 Ų55.962%0.6232%0.32SS*.SBendtrans-62.4-37.2174.200000112.2W87W87-A145 HydrophobicContact CH2-CB 3.99Å; W87-A145 HydrophobicContact CZ3-CB 4.39Å
146I94.8Very high90.6Very high30 Ų3056 Ų5615%0.15431%0.314CS..SBendtrans-129.5137.7178.4-60.5176.2000108.5M83 W87 V94 D97 P144M83-I146 HydrophobicContact CE-CD1 3.65Å; W87-I146 HydrophobicContact CB-CG2 4.18Å; W87-I146 HydrophobicContact CD2-CB 3.7Å; W87-I146 HydrophobicContact CD2-CD1 4.39Å; W87-I146 HydrophobicContact CD2-CG1 4.42Å; W87-I146 HydrophobicContact CD2-CG2 4.28Å; W87-I146 HydrophobicContact CE3-CB 3.89Å; W87-I146 VanDerWaalsContact CE3-O 3.32Å; W87-I146 HydrophobicContact CG-CB 3.98Å; W87-I146 HydrophobicContact CG-CG2 4.02Å; W87-I146 HydrophobicContact CZ2-CD1 4.23Å; W87-I146 HydrophobicContact CZ2-CG1 4.44Å; W87-I146 HydrophobicContact CZ3-CB 4.39Å; V94-I146 HydrophobicContact CG1-CG2 3.62Å; V94-I146 HydrophobicContact CG2-CG2 4.32Å; D97-I146 WeakPolarHBondContact O-CA 3.13Å; P144-I146 VanDerWaalsContact C-N 3.28Å; P144-I146 WeakPolarHBondContact CB-O 3.05Å; P144-I146 WeakPolarHBondContact CG-O 3.09Å; P144-I146 PolarHBondContact O-N 2.96Å
147G94.4Very high90.3Very high7 Ų758.9 Ų58.97%0.07232%0.323CS..SBendtrans111.7-123.217500000112.5D97D97-G147 PolarHBondContact O-N 3.5Å
148T94.4Very high89.9Confident35 Ų3559.2 Ų59.222%0.21532%0.321CS..  trans-58.6136.7-175.9-520000111.2S115 L117 P144S115-T148 VanDerWaalsContact CB-OG1 3.25Å; S115-T148 WeakPolarHBondContact CB-OG1 3.47Å; S115-T148 PolarHBondContact O-OG1 3.44Å; S115-T148 VanDerWaalsContact O-OG1 3.07Å; S115-T148 PolarHBondContact OG-N 3.06Å; S115-T148 PolarHBondContact OG-OG1 3.24Å; L117-T148 HydrophobicContact CB-CG2 4.36Å; L117-T148 HydrophobicContact CD1-CG2 4.01Å; P144-T148 VanDerWaalsContact CD-O 3.3Å; P144-T148 WeakPolarHBondContact CD-O 3.3Å; P144-T148 WeakPolarHBondContact CG-O 3.08Å
149K93.3Very high89.6Confident93 Ų9363.8 Ų63.840%0.40434%0.34SS..  trans-112.1133.3170.9-57.7-61.7-176.3176.30109.3D97 Q143 S151D97-K149 VanDerWaalsContact OD2-CE 3.24Å; D97-K149 WeakPolarHBondContact OD2-CE 3.39Å; D97-K149 IonicContact OD2-NZ 3.06Å; D97-K149 PolarHBondContact OD2-NZ 3.32Å; Q143-K149 HydrophobicContact CG-CD 4.27Å; Q143-K149 VanDerWaalsContact OE1-CA 3.29Å; K149-S151 PolarHBondContact O-N 3.24Å
150V92Very high89.1Confident31 Ų3168.6 Ų68.619%0.18837%0.371CS..  trans-85.1113.3-179.3179.90000107.9L117 V142 Q143 Y153L117-V150 HydrophobicContact CD1-CG2 4.27Å; V142-V150 HydrophobicContact CG2-CG2 3.85Å; Q143-V150 HydrophobicContact CB-CB 4.4Å; Q143-V150 HydrophobicContact CB-CG2 3.81Å; Q143-V150 HydrophobicContact CG-CG2 4.43Å; V150-Y153 HydrophobicContact CG1-CD2 4.12Å; V150-Y153 HydrophobicContact CG1-CE1 4.31Å; V150-Y153 HydrophobicContact CG1-CE2 3.6Å
151S90.3Very high88.5Confident106 Ų10667.4 Ų67.474%0.74136%0.361SS*.  trans-79.7-36.2177.956.60000112.3K149 I178K149-S151 PolarHBondContact O-N 3.24Å; S151-I178 WeakPolarHBondContact O-CD1 3.05Å
152D88.9Confident87.7Confident47 Ų4773.2 Ų73.225%0.25139%0.386SS..  trans-159.7159.2-174.1-167.222.2000112.1T176 F177 I178D152-T176 WeakPolarHBondContact OD2-CB 3.41Å; D152-T176 VanDerWaalsContact OD2-CG2 3.3Å; D152-T176 WeakPolarHBondContact OD2-CG2 3.43Å; D152-F177 PolarHBondContact OD1-N 3.08Å; D152-I178 HydrophobicContact CB-CD1 4.37Å
153Y86.8Confident86.3Confident33 Ų3381.3 Ų81.313%0.12942%0.416CS..  trans-117.3121.5171.4-74.7-82.2000109.2P120 W139 D141 V142 V150 F177P120-Y153 HydrophobicContact CB-CE1 4.03Å; P120-Y153 HydrophobicContact CG-CD1 4.43Å; P120-Y153 HydrophobicContact CG-CE1 4.24Å; W139-Y153 AromaticContact CD1-CE1 3.87Å; W139-Y153 HydrophobicContact CZ2-CG 4.38Å; W139-Y153 AromaticContact NE1-CD1 3.59Å; W139-Y153 AromaticContact NE1-CD2 3.83Å; W139-Y153 AromaticContact NE1-CE1 3.65Å; W139-Y153 AromaticContact NE1-CE2 3.89Å; W139-Y153 AromaticContact NE1-CG 3.68Å; W139-Y153 AromaticContact NE1-CZ 3.81Å; D141-Y153 WeakPolarHBondContact CA-OH 3.49Å; D141-Y153 PolarHBondContact OD1-OH 2.9Å; V142-Y153 HydrophobicContact CG2-CE1 4.33Å; V142-Y153 PolarHBondContact N-OH 3.45Å; V150-Y153 HydrophobicContact CG1-CD2 4.12Å; V150-Y153 HydrophobicContact CG1-CE1 4.31Å; V150-Y153 HydrophobicContact CG1-CE2 3.6Å; Y153-F177 PolarHBondContact O-N 3.15Å
154I87Confident84.8Confident110 Ų11083.4 Ų83.456%0.56443%0.434SS*.EExtended strand (participates in β ladder)trans-98.2116.8179.7-56.2173.8000108.5W174I154-W174 HydrophobicContact CG2-CE3 3.94Å; I154-W174 HydrophobicContact CG2-CZ3 4.2Å
155L85.3Confident82.9Confident29 Ų2988.9 Ų88.915%0.15246%0.462CS..EExtended strand (participates in β ladder)trans-112.5129.5175.8-168.4128.5000110.1L122 L137 I175 M191L122-L155 HydrophobicContact CD1-CD1 4.11Å; L122-L155 HydrophobicContact CD2-CD1 4.16Å; L137-L155 HydrophobicContact CD1-CD1 4.47Å; L155-I175 HydrophobicContact CD2-CD1 4.38Å; L155-I175 PolarHBondContact N-O 3.01Å; L155-I175 PolarHBondContact O-N 3.3Å; L155-M191 HydrophobicContact CB-CE 4.31Å; L155-M191 HydrophobicContact CD1-CE 4.28Å; L155-M191 HydrophobicContact CD2-CE 4.26Å
156Q83.2Confident81.1Confident96 Ų9686.8 Ų86.845%0.44944%0.441SS..EExtended strand (participates in β ladder)trans-118.2129.9176.5-65.5179.6-2.900109W174Q156-W174 HydrophobicContact CG-CD2 4.47Å; Q156-W174 VanDerWaalsContact NE2-CZ3 3.26Å
157H81.8Confident79Confident100 Ų10092 Ų9246%0.46347%0.47SS..EExtended strand (participates in β ladder)trans-127.3142.4172.477.289.4000110.7C173H157-C173 WeakPolarHBondContact NE2-CB 3.33Å
158K80.5Confident76.8Confident76 Ų7699 Ų9933%0.3350%0.504SS..  trans-143.4133.3175.6-177.6-178.6178.8-172.70108.4T166K158-T166 PolarHBondContact NZ-O 3.12Å
159K81.1Confident74.5Confident159 Ų159105.8 Ų105.869%0.69153%0.527SS*.PPolyproline II helixtrans-82.3125.6166.4-172.1-172175.4-135.60107.8D161K159-D161 WeakPolarHBondContact CE-OD1 3.28Å; K159-D161 IonicContact NZ-OD1 3.02Å; K159-D161 PolarHBondContact NZ-OD1 2.58Å
160V80.9Confident72.1Confident118 Ų118104.6 Ų104.672%0.71553%0.528SS*.PPolyproline II helixtrans-92.2120.3175.9-1760000107.4
161D79.9Confident69.9Low78 Ų78108.8 Ų108.842%0.41755%0.553SS.*PPolyproline II helixtrans-98.2155.9174.5-65.3-49.1000109.8K159 Y163K159-D161 WeakPolarHBondContact CE-OD1 3.28Å; K159-D161 IonicContact NZ-OD1 3.02Å; K159-D161 PolarHBondContact NZ-OD1 2.58Å; D161-Y163 PolarHBondContact O-N 2.91Å
162E73Confident68.1Low186 Ų186108.7 Ų108.787%0.86954%0.537SS*.SBendtrans-69.8-15.8-168.1-153.5168.8-165.100114.3
163Y65.8Low66.7Low192 Ų192108.8 Ų108.875%0.75354%0.541SS*.SBendtrans-93.5120.8177.5-61.6-81.2000110.5D161 D165 T166D161-Y163 PolarHBondContact O-N 2.91Å; Y163-D165 PolarHBondContact O-N 2.75Å; Y163-T166 PolarHBondContact O-OG1 2.93Å
164T60.2Low65.4Low119 Ų119114.9 Ų114.973%0.7356%0.564SS**G310 helixtrans-65.611.9-173.649.30000115.9T166T164-T166 PolarHBondContact O-N 2.04Å
165D54.6Low64.5Low147 Ų147110.2 Ų110.279%0.78654%0.54SS*.G310 helixtrans-76.8-2.2171.5-90.3-23.5000112.8Y163Y163-D165 PolarHBondContact O-N 2.75Å
166T54.4Low63.8Low31 Ų31110.4 Ų110.419%0.1954%0.542CS..G310 helixtrans-90.93-177.152.60000114.9K158 Y163 T164 L168 Y169K158-T166 PolarHBondContact NZ-O 3.12Å; Y163-T166 PolarHBondContact O-OG1 2.93Å; T164-T166 PolarHBondContact O-N 2.04Å; T166-L168 PolarHBondContact O-N 3.07Å; T166-Y169 PolarHBondContact O-N 2.97Å
167D51Low62.9Low140 Ų140106.5 Ų106.575%0.74952%0.524SS*.G310 helixtrans-64.6-19.6177.3-80.9-16.4000113.2
168L49.5Very low61.9Low152 Ų152106.2 Ų106.280%0.79653%0.525SS*.SBendtrans-120.1-4.2172.3-79.7137.5000114.2T166 T170T166-L168 PolarHBondContact O-N 3.07Å; L168-T170 PolarHBondContact O-N 3.4Å; L168-T170 PolarHBondContact O-OG1 2.95Å
169Y44.8Very low61Low178 Ų178106.7 Ų106.770%0.69853%0.531SS*.  trans-43.437.9159.6-59-103.6000120.6T166 V171T166-Y169 PolarHBondContact O-N 2.97Å; Y169-V171 VanDerWaalsContact C-N 3.3Å; Y169-V171 PolarHBondContact O-N 2.98Å
170T43.6Very low59.9Low68 Ų68100 Ų10042%0.41750%0.503SS..  trans-85.565.7-166.737.60000113.4L168 Y172L168-T170 PolarHBondContact O-N 3.4Å; L168-T170 PolarHBondContact O-OG1 2.95Å; T170-Y172 VanDerWaalsContact CB-CD2 3.41Å; T170-Y172 HydrophobicContact CG2-CD2 3.67Å; T170-Y172 HydrophobicContact CG2-CE1 4.1Å; T170-Y172 HydrophobicContact CG2-CE2 2.97Å; T170-Y172 HydrophobicContact CG2-CG 4.46Å; T170-Y172 VanDerWaalsContact CG2-OH 3.28Å; T170-Y172 WeakPolarHBondContact CG2-OH 3.29Å; T170-Y172 PolarHBondContact O-N 2.84Å
171V44.9Very low58.8Low120 Ų120103 Ų10373%0.72750%0.501SS*.  trans-75.169.2152.5-171.90000107Y169 C173Y169-V171 VanDerWaalsContact C-N 3.3Å; Y169-V171 PolarHBondContact O-N 2.98Å; V171-C173 PolarHBondContact O-N 3.24Å
172Y52.4Low57.6Low103 Ų103105.3 Ų105.340%0.40451%0.512SS..  trans-69117.7165.9-67.6-65.1000106.8T170 W174T170-Y172 VanDerWaalsContact CB-CD2 3.41Å; T170-Y172 HydrophobicContact CG2-CD2 3.67Å; T170-Y172 HydrophobicContact CG2-CE1 4.1Å; T170-Y172 HydrophobicContact CG2-CE2 2.97Å; T170-Y172 HydrophobicContact CG2-CG 4.46Å; T170-Y172 VanDerWaalsContact CG2-OH 3.28Å; T170-Y172 WeakPolarHBondContact CG2-OH 3.29Å; T170-Y172 PolarHBondContact O-N 2.84Å; Y172-W174 AromaticContact CD2-NE1 3.95Å; Y172-W174 AromaticContact CG-NE1 3.84Å; Y172-W174 PolarHBondContact O-N 3.19Å
173C60.2Low56.6Low50 Ų50101.2 Ų101.234%0.33850%0.496SS..EExtended strand (participates in β ladder)trans-77.6105.9160.5-165.40000106.5H157 V171H157-C173 WeakPolarHBondContact NE2-CB 3.33Å; V171-C173 PolarHBondContact O-N 3.24Å
174W59Low55.9Low160 Ų16099.2 Ų99.261%0.60650%0.498SS*.EExtended strand (participates in β ladder)trans-86115.9172.1-70.271.5000107.4I154 Q156 Y172I154-W174 HydrophobicContact CG2-CE3 3.94Å; I154-W174 HydrophobicContact CG2-CZ3 4.2Å; Q156-W174 HydrophobicContact CG-CD2 4.47Å; Q156-W174 VanDerWaalsContact NE2-CZ3 3.26Å; Y172-W174 AromaticContact CD2-NE1 3.95Å; Y172-W174 AromaticContact CG-NE1 3.84Å; Y172-W174 PolarHBondContact O-N 3.19Å
175I68.3Low55.7Low13 Ų1397.4 Ų97.47%0.06748%0.482CS..EExtended strand (participates in β ladder)trans-118115.6-178.7-63.5171.3000106.6L155 L180 I188 M191L155-I175 HydrophobicContact CD2-CD1 4.38Å; L155-I175 PolarHBondContact N-O 3.01Å; L155-I175 PolarHBondContact O-N 3.3Å; I175-L180 HydrophobicContact CG2-CD1 3.05Å; I175-L180 HydrophobicContact CG2-CD2 4.03Å; I175-L180 HydrophobicContact CG2-CG 3.44Å; I175-L180 VanDerWaalsContact CG2-CG 3.44Å; I175-I188 HydrophobicContact CD1-CD1 3.63Å; I175-I188 HydrophobicContact CG1-CD1 4.42Å; I175-M191 HydrophobicContact CG2-CE 4.06Å
176T71.3Confident55.7Low32 Ų3296.4 Ų96.420%0.19648%0.483CS..EExtended strand (participates in β ladder)trans-92.3147.2165.969.20000108.9D152 I178 D179 L180D152-T176 WeakPolarHBondContact OD2-CB 3.41Å; D152-T176 VanDerWaalsContact OD2-CG2 3.3Å; D152-T176 WeakPolarHBondContact OD2-CG2 3.43Å; T176-I178 VanDerWaalsContact C-N 3.29Å; T176-I178 PolarHBondContact O-N 2.77Å; T176-D179 PolarHBondContact O-N 2.62Å; T176-D179 WeakPolarHBondContact OG1-CB 3.32Å; T176-D179 PolarHBondContact OG1-N 2.98Å; T176-D179 VanDerWaalsContact OG1-N 3.15Å; T176-D179 PolarHBondContact OG1-OD2 2.03Å; T176-L180 PolarHBondContact O-N 3.33Å
177F63.3Low55.8Low14 Ų14100.3 Ų100.36%0.06151%0.511CS..Hα-helixtrans-69.2-34.6-178.9-159.3-82.1000111.6W139 D152 Y153 R181 M191 P193W139-F177 AromaticContact CH2-CD2 3.98Å; W139-F177 HydrophobicContact CH2-CD2 3.98Å; W139-F177 AromaticContact CH2-CE2 3.79Å; W139-F177 HydrophobicContact CH2-CE2 3.79Å; W139-F177 AromaticContact CZ2-CD2 3.56Å; W139-F177 HydrophobicContact CZ2-CD2 3.56Å; W139-F177 AromaticContact CZ2-CE2 3.41Å; W139-F177 HydrophobicContact CZ2-CE2 3.41Å; W139-F177 VanDerWaalsContact CZ2-CE2 3.41Å; D152-F177 PolarHBondContact OD1-N 3.08Å; Y153-F177 PolarHBondContact O-N 3.15Å; F177-R181 HydrophobicContact CE1-CG 4.46Å; F177-R181 PolarHBondContact O-N 2.93Å; F177-M191 HydrophobicContact CD2-CB 3.59Å; F177-M191 HydrophobicContact CD2-CG 4.27Å; F177-M191 HydrophobicContact CD2-SD 3.59Å; F177-M191 VanDerWaalsContact CD2-SD 3.59Å; F177-M191 HydrophobicContact CE1-CB 4.36Å; F177-M191 HydrophobicContact CE2-CB 3.06Å; F177-M191 HydrophobicContact CE2-CG 4.13Å; F177-M191 HydrophobicContact CE2-SD 4.02Å; F177-M191 HydrophobicContact CG-CB 4.48Å; F177-M191 HydrophobicContact CG-SD 4.44Å; F177-M191 HydrophobicContact CZ-CB 3.48Å; F177-M191 VanDerWaalsContact CZ-CB 3.48Å; F177-M191 WeakPolarHBondContact CZ-O 3.4Å; F177-P193 HydrophobicContact CZ-CG 4.13Å
178I61.8Low56.3Low94 Ų9495.9 Ų95.948%0.48249%0.486SS..Hα-helixtrans-63.7-45.7176.8-65.6176.8000110.5S151 D152 T176 L180 R181 I182S151-I178 WeakPolarHBondContact O-CD1 3.05Å; D152-I178 HydrophobicContact CB-CD1 4.37Å; T176-I178 VanDerWaalsContact C-N 3.29Å; T176-I178 PolarHBondContact O-N 2.77Å; I178-L180 VanDerWaalsContact C-N 3.35Å; I178-L180 PolarHBondContact O-N 3.41Å; I178-R181 PolarHBondContact O-N 2.87Å; I178-I182 HydrophobicContact CG2-CD1 4.41Å
179D60.3Low56.3Low86 Ų8693.7 Ų93.746%0.4648%0.481SS..Hα-helixtrans-68.6-33.9-177.7-65.1-32.3000112.1T176 I182 L183T176-D179 PolarHBondContact O-N 2.62Å; T176-D179 WeakPolarHBondContact OG1-CB 3.32Å; T176-D179 PolarHBondContact OG1-N 2.98Å; T176-D179 VanDerWaalsContact OG1-N 3.15Å; T176-D179 PolarHBondContact OG1-OD2 2.03Å; D179-I182 PolarHBondContact O-N 3.33Å; D179-L183 PolarHBondContact O-N 3.27Å; D179-L183 VanDerWaalsContact O-N 3.09Å
180L58Low56.8Low20 Ų2088.5 Ų88.511%0.10548%0.482CS..Hα-helixtrans-66.4-36.6177.3-82177.1000114.2I175 T176 I178 I182 L183 N184 I188 M191I175-L180 HydrophobicContact CG2-CD1 3.05Å; I175-L180 HydrophobicContact CG2-CD2 4.03Å; I175-L180 HydrophobicContact CG2-CG 3.44Å; I175-L180 VanDerWaalsContact CG2-CG 3.44Å; T176-L180 PolarHBondContact O-N 3.33Å; I178-L180 VanDerWaalsContact C-N 3.35Å; I178-L180 PolarHBondContact O-N 3.41Å; L180-I182 PolarHBondContact O-N 2.92Å; L180-L183 PolarHBondContact O-N 3.49Å; L180-N184 PolarHBondContact O-N 2.92Å; L180-I188 HydrophobicContact CD1-CG2 3.83Å; L180-I188 HydrophobicContact CD2-CB 3.93Å; L180-I188 HydrophobicContact CD2-CD1 4.06Å; L180-I188 HydrophobicContact CD2-CG2 3.79Å; L180-I188 HydrophobicContact CG-CG2 4.5Å; L180-M191 HydrophobicContact CD1-CE 3.64Å; L180-M191 HydrophobicContact CD1-CG 3.69Å; L180-M191 HydrophobicContact CD1-SD 3.2Å; L180-M191 WeakPolarHBondContact CD1-SD 3.36Å
181R57.7Low57.2Low179 Ų17987.1 Ų87.168%0.67547%0.471SS*.Hα-helixtrans-61.5-30.5174.8-78.1-165.1-178.2-167.17.1111.9F177 I178F177-R181 HydrophobicContact CE1-CG 4.46Å; F177-R181 PolarHBondContact O-N 2.93Å; I178-R181 PolarHBondContact O-N 2.87Å
182I55.1Low57.3Low127 Ų12789.5 Ų89.565%0.65147%0.472SS*.Hα-helixtrans-81.1-35.8-178.4-61169000110.6I178 D179 L180I178-I182 HydrophobicContact CG2-CD1 4.41Å; D179-I182 PolarHBondContact O-N 3.33Å; L180-I182 PolarHBondContact O-N 2.92Å
183L53Low57.1Low101 Ų10186.8 Ų86.853%0.52947%0.467SS..Hα-helixtrans-91.4-7.8-167.8-76.2163.1000116D179 L180 Q185D179-L183 PolarHBondContact O-N 3.27Å; D179-L183 VanDerWaalsContact O-N 3.09Å; L180-L183 PolarHBondContact O-N 3.49Å; L183-Q185 HydrophobicContact CB-CG 3.76Å; L183-Q185 WeakPolarHBondContact O-CG 3.43Å; L183-Q185 PolarHBondContact O-N 3.04Å
184N51.3Low56.5Low149 Ų14990.7 Ų90.780%0.79749%0.489SS*.  trans33.448.3176.6-158.230.4000113.6L180L180-N184 PolarHBondContact O-N 2.92Å
185Q56Low56.4Low82 Ų8287.2 Ų87.238%0.38348%0.483SS..  trans-77.2136.6-168.9-64.6-165.5-28.700110.5L183 C187 I188L183-Q185 HydrophobicContact CB-CG 3.76Å; L183-Q185 WeakPolarHBondContact O-CG 3.43Å; L183-Q185 PolarHBondContact O-N 3.04Å; Q185-C187 PolarHBondContact O-N 2.84Å; Q185-C187 VanDerWaalsContact O-N 3.13Å; Q185-I188 CarbonylContact O-C 3.52Å; Q185-I188 PolarHBondContact O-N 3.07Å
186P54.1Low55.8Low125 Ų12591.1 Ų91.181%0.81251%0.505SS*.THydrogen-bonded Turntrans-63.7-21.9-17824.9-33.5000113.2
187C56.3Low54.9Low114 Ų11494.4 Ų94.477%0.7752%0.522SS*.THydrogen-bonded Turntrans-90-16.8-177.5-54.20000114Q185Q185-C187 PolarHBondContact O-N 2.84Å; Q185-C187 VanDerWaalsContact O-N 3.13Å
188I62.2Low54.4Low47 Ų4799.1 Ų99.124%0.24155%0.549CS..SBendtrans-135.874.2179.1-53.4162.4000108.2I175 L180 Q185 G190I175-I188 HydrophobicContact CD1-CD1 3.63Å; I175-I188 HydrophobicContact CG1-CD1 4.42Å; L180-I188 HydrophobicContact CD1-CG2 3.83Å; L180-I188 HydrophobicContact CD2-CB 3.93Å; L180-I188 HydrophobicContact CD2-CD1 4.06Å; L180-I188 HydrophobicContact CD2-CG2 3.79Å; L180-I188 HydrophobicContact CG-CG2 4.5Å; Q185-I188 CarbonylContact O-C 3.52Å; Q185-I188 PolarHBondContact O-N 3.07Å; I188-G190 PolarHBondContact O-N 3.04Å
189P49.6Very low53.9Low106 Ų10699.4 Ų99.469%0.68855%0.554SS**  trans-76.4120.8-178.628.4-31.2000110.9
190G54.8Low53.5Low69 Ų69100.3 Ų100.371%0.71156%0.56SS**  trans6079155.300000115.9I188I188-G190 PolarHBondContact O-N 3.04Å
191M51.7Low53.2Low39 Ų39106.1 Ų106.119%0.19259%0.592CS.*  trans-72.2131.3159.8-59.5-174.8155.300109.3W139 L155 I175 F177 L180W139-M191 HydrophobicContact CH2-CB 4.15Å; W139-M191 HydrophobicContact CH2-CE 4.13Å; W139-M191 HydrophobicContact CH2-CG 4.18Å; W139-M191 HydrophobicContact CH2-SD 3.72Å; L155-M191 HydrophobicContact CB-CE 4.31Å; L155-M191 HydrophobicContact CD1-CE 4.28Å; L155-M191 HydrophobicContact CD2-CE 4.26Å; I175-M191 HydrophobicContact CG2-CE 4.06Å; F177-M191 HydrophobicContact CD2-CB 3.59Å; F177-M191 HydrophobicContact CD2-CG 4.27Å; F177-M191 HydrophobicContact CD2-SD 3.59Å; F177-M191 VanDerWaalsContact CD2-SD 3.59Å; F177-M191 HydrophobicContact CE1-CB 4.36Å; F177-M191 HydrophobicContact CE2-CB 3.06Å; F177-M191 HydrophobicContact CE2-CG 4.13Å; F177-M191 HydrophobicContact CE2-SD 4.02Å; F177-M191 HydrophobicContact CG-CB 4.48Å; F177-M191 HydrophobicContact CG-SD 4.44Å; F177-M191 HydrophobicContact CZ-CB 3.48Å; F177-M191 VanDerWaalsContact CZ-CB 3.48Å; F177-M191 WeakPolarHBondContact CZ-O 3.4Å; L180-M191 HydrophobicContact CD1-CE 3.64Å; L180-M191 HydrophobicContact CD1-CG 3.69Å; L180-M191 HydrophobicContact CD1-SD 3.2Å; L180-M191 WeakPolarHBondContact CD1-SD 3.36Å
192K46.4Very low52.9Low170 Ų170100.5 Ų100.574%0.73959%0.586SS**  trans-131.8129.3169.4-77-176179.8176.70107.8T194K192-T194 PolarHBondContact O-N 2.87Å
193P49.4Very low52.7Low46 Ų4698.3 Ų98.330%0.29958%0.58SS.*  trans-64.5135.3162-2.622000106.7D141 F177D141-P193 HydrophobicContact CB-CB 4.35Å; F177-P193 HydrophobicContact CZ-CG 4.13Å
194T47.3Very low52.6Low131 Ų13198 Ų9880%0.80459%0.585SS**  trans-80.40170.435.10000111.7W139 K192W139-T194 PolarHBondContact O-OG1 3.15Å; K192-T194 PolarHBondContact O-N 2.87Å

Retrieved 194 of 194 residues in 96.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).