A0A087Y1G4_POEFO Loading...

T-complex protein 1 subunit beta

Component of the chaperonin-containing T-complex (TRiC), a molecular chaperone complex that assists the folding of actin, tubulin and other proteins upon ATP hydrolysis. The TRiC complex mediates the folding of WRAP53/TCAB1, thereby regulating telomere maintenance. As part of the TRiC complex may play a role in the assembly of BBSome, a complex involved in ciliogenesis regulating transports vesicles to the cilia.

AlphaFold DB , UniProt , Accession A0A087Y1G4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 535 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
1M38.8Very low58.1Low247 Ų247134.9 Ų134.9100%1.21781%0.814SS**  0101.80-67.1-166-157.900107.6
2A43.3Very low60.3Low95 Ų95129.8 Ų129.879%0.78577%0.773SS**  trans-84118.7172.800000107.8L4A2-L4 PolarHBondContact O-N 3.29Å; A2-L4 VanDerWaalsContact O-N 3.07Å
3S48Very low61.9Low117 Ų117133.6 Ų133.682%0.81877%0.774SS**  trans-66.4101.2171.540.80000108.7S5S3-S5 VanDerWaalsContact C-N 3.28Å; S3-S5 PolarHBondContact O-N 2.77Å
4L48.5Very low63.2Low158 Ų158137.8 Ų137.883%0.82778%0.783SS**  trans-63.496.3161.5-94.598.5000107.5A2 M6A2-L4 PolarHBondContact O-N 3.29Å; A2-L4 VanDerWaalsContact O-N 3.07Å; L4-M6 PolarHBondContact O-N 3.29Å; L4-M6 VanDerWaalsContact O-N 3.14Å
5S52.9Low64.3Low104 Ų104132.1 Ų132.173%0.72777%0.767SS**  trans-62.6109.5161.358.60000107.5S3 A7S3-S5 VanDerWaalsContact C-N 3.28Å; S3-S5 PolarHBondContact O-N 2.77Å; S5-A7 PolarHBondContact O-N 3.31Å
6M53.3Low65.6Low187 Ų187125.4 Ų125.492%0.92173%0.731SS**  trans-70.279.7169.6-74.2-153.517200109.1L4L4-M6 PolarHBondContact O-N 3.29Å; L4-M6 VanDerWaalsContact O-N 3.14Å
7A60.6Low66.8Low73 Ų73124 Ų12460%0.60372%0.72SS**  trans-67.8134.3163.400000107.9S5 V9S5-A7 PolarHBondContact O-N 3.31Å; A7-V9 PolarHBondContact O-N 2.98Å
8P59.3Low68.1Low126 Ų126120.7 Ų120.782%0.81870%0.697SS**  trans-59.7123.3178.123.1-31.1000109.6S10P8-S10 PolarHBondContact O-N 3.16Å; P8-S10 VanDerWaalsContact O-N 3.09Å
9V76.1Confident69.2Low133 Ų133117.7 Ų117.781%0.80668%0.676SS**  trans-69.9105.3175.6-179.80000107.8A7 I11A7-V9 PolarHBondContact O-N 2.98Å; V9-I11 PolarHBondContact O-N 3.11Å
10S75.7Confident70.2Confident98 Ų98118.1 Ų118.169%0.68567%0.669SS**  trans-69.9112.9174-174.10000109.6P8 F12P8-S10 PolarHBondContact O-N 3.16Å; P8-S10 VanDerWaalsContact O-N 3.09Å; S10-F12 PolarHBondContact OG-O 3.33Å
11I82.3Confident71Confident146 Ų146114.5 Ų114.575%0.74966%0.655SS**  trans-75.8-34.7178.5-60.1173.4000110.8V9V9-I11 PolarHBondContact O-N 3.11Å
12F84.7Confident73Confident73 Ų73109.9 Ų109.932%0.3263%0.63SS.*SBendtrans-99.8156.6-175.7-56.9-73.1000113S10 A16 E18 I521S10-F12 PolarHBondContact OG-O 3.33Å; F12-A16 HydrophobicContact CB-CB 4.03Å; F12-E18 HydrophobicContact CE2-CB 4.19Å; F12-E18 HydrophobicContact CE2-CG 4.41Å; F12-E18 WeakPolarHBondContact CE2-OE2 3.45Å; F12-E18 HydrophobicContact CZ-CG 4.49Å; F12-I521 HydrophobicContact CD1-CG2 4.46Å; F12-I521 HydrophobicContact CE1-CD1 4.48Å; F12-I521 HydrophobicContact CE1-CG2 3.97Å; F12-I521 HydrophobicContact CZ-CD1 4.47Å
13K81.4Confident75.1Confident180 Ų180109.6 Ų109.678%0.78362%0.619SS**PPolyproline II helixtrans-66.9148.3171.4-68.8-177.7179.3177.40109.9G15 A16K13-G15 PolarHBondContact O-N 3.07Å; K13-A16 WeakPolarHBondContact O-CB 3.46Å; K13-A16 PolarHBondContact O-N 3.28Å; K13-A16 VanDerWaalsContact O-N 3.09Å
14Q79.3Confident77Confident192 Ų192104 Ų10490%0.89758%0.58SS**THydrogen-bonded Turntrans-56.2127.9176-72.2-179.3-8.800111.3
15G80.1Confident78.8Confident53 Ų5399.2 Ų99.255%0.54655%0.551SS.*THydrogen-bonded Turntrans87.76.8-177.600000115.2K13 A524K13-G15 PolarHBondContact O-N 3.07Å; G15-A524 WeakPolarHBondContact O-CA 3.42Å
16A84.7Confident80.4Confident24 Ų2498.9 Ų98.920%0.19854%0.54CS..  trans-88.1139.1164.500000109.7F12 K13 K522F12-A16 HydrophobicContact CB-CB 4.03Å; K13-A16 WeakPolarHBondContact O-CB 3.46Å; K13-A16 PolarHBondContact O-N 3.28Å; K13-A16 VanDerWaalsContact O-N 3.09Å; A16-K522 VanDerWaalsContact CA-O 3.25Å; A16-K522 WeakPolarHBondContact CA-O 2.91Å; A16-K522 WeakPolarHBondContact CB-O 3.2Å
17D86.1Confident82.1Confident102 Ų10291.2 Ų91.255%0.54551%0.505SS..EExtended strand (participates in β ladder)trans-112.3143.4-178.7-63-41.3000110.1K522D17-K522 HydrophobicContact CB-CB 4.35Å; D17-K522 PolarHBondContact N-O 3.07Å; D17-K522 PolarHBondContact O-N 3.3Å
18E90.1Very high83.6Confident64 Ų6487.9 Ų87.930%0.29948%0.477SS..EExtended strand (participates in β ladder)trans-130121.7176.1-176.9-178.4-154.300109.6F12 K20 N519 I520 I521F12-E18 HydrophobicContact CE2-CB 4.19Å; F12-E18 HydrophobicContact CE2-CG 4.41Å; F12-E18 WeakPolarHBondContact CE2-OE2 3.45Å; F12-E18 HydrophobicContact CZ-CG 4.49Å; E18-K20 HydrophobicContact CG-CG 4.03Å; E18-K20 WeakPolarHBondContact OE1-CE 3.41Å; E18-K20 IonicContact OE1-NZ 2.66Å; E18-K20 WeakPolarHBondContact OE2-CE 3.36Å; E18-K20 IonicContact OE2-NZ 3.01Å; E18-K20 PolarHBondContact OE2-NZ 3.28Å; E18-K20 VanDerWaalsContact OE2-NZ 3.1Å; E18-N519 WeakPolarHBondContact CG-OD1 3.34Å; E18-N519 PolarHBondContact OE1-ND2 3.05Å; E18-I520 WeakPolarHBondContact CA-O 2.83Å; E18-I521 HydrophobicContact CG-CG1 4.17Å
19E89.7Confident85.2Confident65 Ų6582.1 Ų82.130%0.30444%0.44SS..EExtended strand (participates in β ladder)trans-105.9117.8171.3-62.1175.2-170.700108.7T23 A24 S27 N519 I520E19-T23 HydrophobicContact CB-CG2 4.27Å; E19-T23 HydrophobicContact CG-CG2 4.33Å; E19-A24 HydrophobicContact CB-CB 4.26Å; E19-A24 VanDerWaalsContact O-CB 3.31Å; E19-A24 WeakPolarHBondContact O-CB 3.46Å; E19-S27 WeakPolarHBondContact OE2-CB 3.39Å; E19-S27 PolarHBondContact OE2-OG 3.22Å; E19-N519 WeakPolarHBondContact O-CA 3.13Å; E19-N519 PolarHBondContact O-OD1 2.97Å; E19-I520 HydrophobicContact CB-CB 4.3Å; E19-I520 PolarHBondContact N-O 3.09Å; E19-I520 PolarHBondContact O-N 3.1Å
20K88.9Confident85.9Confident124 Ų12479.8 Ų79.854%0.53943%0.425SS..EExtended strand (participates in β ladder)trans-101.8144.2-177.1-68.7-173.6-178.6171.60113.3E18 E22 T23E18-K20 HydrophobicContact CG-CG 4.03Å; E18-K20 WeakPolarHBondContact OE1-CE 3.41Å; E18-K20 IonicContact OE1-NZ 2.66Å; E18-K20 WeakPolarHBondContact OE2-CE 3.36Å; E18-K20 IonicContact OE2-NZ 3.01Å; E18-K20 PolarHBondContact OE2-NZ 3.28Å; E18-K20 VanDerWaalsContact OE2-NZ 3.1Å; K20-E22 PolarHBondContact O-N 3.36Å; K20-T23 PolarHBondContact O-N 3.49Å
21A86.9Confident86.7Confident44 Ų4475.5 Ų75.536%0.36440%0.396SS..THydrogen-bonded Turntrans44.6-99.316800000113.8R25 D518A21-R25 WeakPolarHBondContact O-CG 3.47Å; A21-R25 PolarHBondContact O-N 3.08Å; A21-D518 WeakPolarHBondContact CA-O 3.48Å; A21-D518 PolarHBondContact N-O 3.46Å
22E81.6Confident87.2Confident149 Ų14968.5 Ų68.570%0.69636%0.361SS*.Hα-helixtrans-66.5-41.5-175.7-166.8170.2-171.200112.1K20 R25 L26K20-E22 PolarHBondContact O-N 3.36Å; E22-R25 PolarHBondContact O-N 3.11Å; E22-L26 WeakPolarHBondContact O-CB 3.34Å; E22-L26 PolarHBondContact O-N 3.49Å
23T86.1Confident87.7Confident89 Ų8966 Ų6655%0.54635%0.35SS..Hα-helixtrans-65.6-43.7178-47.40000111.4E19 K20 R25 L26 S27E19-T23 HydrophobicContact CB-CG2 4.27Å; E19-T23 HydrophobicContact CG-CG2 4.33Å; K20-T23 PolarHBondContact O-N 3.49Å; T23-R25 VanDerWaalsContact C-N 3.34Å; T23-R25 PolarHBondContact O-N 3.47Å; T23-L26 PolarHBondContact O-N 2.92Å; T23-S27 VanDerWaalsContact O-CB 3.23Å; T23-S27 WeakPolarHBondContact O-CB 3.39Å; T23-S27 PolarHBondContact O-N 3.41Å
24A88.8Confident88.3Confident0 Ų060 Ų600%034%0.335CS..Hα-helixtrans-61.4-41.917600000112.3E19 S28 I520E19-A24 HydrophobicContact CB-CB 4.26Å; E19-A24 VanDerWaalsContact O-CB 3.31Å; E19-A24 WeakPolarHBondContact O-CB 3.46Å; A24-S28 WeakPolarHBondContact O-CB 3.4Å; A24-S28 PolarHBondContact O-N 3.17Å; A24-S28 PolarHBondContact O-OG 3.25Å; A24-I520 HydrophobicContact CB-CD1 4.18Å; A24-I520 HydrophobicContact CB-CG1 3.93Å
25R86.9Confident89Confident57 Ų5751.5 Ų51.522%0.21530%0.295CS..Hα-helixtrans-65.5-46.4177.3-76.1-173.3-65.7-922.4111.6A21 E22 T23 S28 F29A21-R25 WeakPolarHBondContact O-CG 3.47Å; A21-R25 PolarHBondContact O-N 3.08Å; E22-R25 PolarHBondContact O-N 3.11Å; T23-R25 VanDerWaalsContact C-N 3.34Å; T23-R25 PolarHBondContact O-N 3.47Å; R25-S28 WeakPolarHBondContact O-CB 3.29Å; R25-S28 PolarHBondContact O-N 3.12Å; R25-F29 HydrophobicContact CB-CE2 4.09Å; R25-F29 VanDerWaalsContact O-CD2 3.25Å; R25-F29 WeakPolarHBondContact O-CD2 3.41Å; R25-F29 VanDerWaalsContact O-CG 3.3Å; R25-F29 WeakPolarHBondContact O-CG 3.4Å; R25-F29 PolarHBondContact O-N 2.81Å
26L85.9Confident89.6Confident98 Ų9849 Ų4951%0.51327%0.269SS..Hα-helixtrans-61.8-46.8178.2-167.7153.6000110.9E22 T23 S28 F29 V30E22-L26 WeakPolarHBondContact O-CB 3.34Å; E22-L26 PolarHBondContact O-N 3.49Å; T23-L26 PolarHBondContact O-N 2.92Å; L26-S28 VanDerWaalsContact C-N 3.28Å; L26-S28 PolarHBondContact O-N 3.1Å; L26-F29 PolarHBondContact O-N 2.89Å; L26-V30 HydrophobicContact CD2-CG2 3.78Å; L26-V30 WeakPolarHBondContact O-CB 3.37Å; L26-V30 VanDerWaalsContact O-CG2 3.27Å; L26-V30 WeakPolarHBondContact O-CG2 3.05Å; L26-V30 PolarHBondContact O-N 3.22Å
27S89.8Confident90.1Very high26 Ų2651.5 Ų51.518%0.18228%0.279CS..Hα-helixtrans-56.4-42.4174.5-1760000111.8E19 T23 G31 N78E19-S27 WeakPolarHBondContact OE2-CB 3.39Å; E19-S27 PolarHBondContact OE2-OG 3.22Å; T23-S27 VanDerWaalsContact O-CB 3.23Å; T23-S27 WeakPolarHBondContact O-CB 3.39Å; T23-S27 PolarHBondContact O-N 3.41Å; S27-G31 PolarHBondContact O-N 3.29Å; S27-N78 PolarHBondContact O-ND2 3.11Å
28S91.3Very high90.5Very high3 Ų349.9 Ų49.92%0.02127%0.27CS..Hα-helixtrans-66.3-45.5177.4-61.10000112.9A24 R25 L26 G31 A32 A80A24-S28 WeakPolarHBondContact O-CB 3.4Å; A24-S28 PolarHBondContact O-N 3.17Å; A24-S28 PolarHBondContact O-OG 3.25Å; R25-S28 WeakPolarHBondContact O-CB 3.29Å; R25-S28 PolarHBondContact O-N 3.12Å; L26-S28 VanDerWaalsContact C-N 3.28Å; L26-S28 PolarHBondContact O-N 3.1Å; S28-G31 PolarHBondContact O-N 3.47Å; S28-A32 WeakPolarHBondContact O-CB 3.44Å; S28-A32 PolarHBondContact O-N 3.11Å; S28-A80 VanDerWaalsContact O-CB 3.32Å; S28-A80 WeakPolarHBondContact O-CB 3.48Å
29F92.3Very high90.7Very high5 Ų546.8 Ų46.82%0.02226%0.256CS..Hα-helixtrans-65.7-45.9178.2-62.5-34.6000111.7R25 L26 G31 A32 I33 L110 E114 I117 L515R25-F29 HydrophobicContact CB-CE2 4.09Å; R25-F29 VanDerWaalsContact O-CD2 3.25Å; R25-F29 WeakPolarHBondContact O-CD2 3.41Å; R25-F29 VanDerWaalsContact O-CG 3.3Å; R25-F29 WeakPolarHBondContact O-CG 3.4Å; R25-F29 PolarHBondContact O-N 2.81Å; L26-F29 PolarHBondContact O-N 2.89Å; F29-G31 VanDerWaalsContact C-N 3.3Å; F29-G31 PolarHBondContact O-N 2.85Å; F29-A32 PolarHBondContact O-N 3.03Å; F29-I33 HydrophobicContact CB-CD1 4.2Å; F29-I33 VanDerWaalsContact O-CB 3.25Å; F29-I33 WeakPolarHBondContact O-CB 3.37Å; F29-I33 WeakPolarHBondContact O-CD1 3.35Å; F29-I33 WeakPolarHBondContact O-CG1 3.3Å; F29-I33 PolarHBondContact O-N 2.99Å; F29-L110 HydrophobicContact CD1-CB 4.1Å; F29-L110 HydrophobicContact CD1-CD2 4.03Å; F29-L110 HydrophobicContact CE1-CD2 3.81Å; F29-E114 HydrophobicContact CD2-CB 3.85Å; F29-E114 HydrophobicContact CD2-CG 3.99Å; F29-E114 HydrophobicContact CE2-CB 4.2Å; F29-E114 HydrophobicContact CG-CB 4.35Å; F29-I117 HydrophobicContact CE2-CD1 3.7Å; F29-I117 HydrophobicContact CZ-CD1 3.44Å; F29-I117 VanDerWaalsContact CZ-CD1 3.44Å; F29-L515 HydrophobicContact CE1-CD2 4.02Å; F29-L515 HydrophobicContact CZ-CD2 3.85Å
30V91.9Very high90.9Very high83 Ų8344.7 Ų44.750%0.50325%0.246SC..Hα-helixtrans-58.3-44.8177.3171.10000110.9L26 A34L26-V30 HydrophobicContact CD2-CG2 3.78Å; L26-V30 WeakPolarHBondContact O-CB 3.37Å; L26-V30 VanDerWaalsContact O-CG2 3.27Å; L26-V30 WeakPolarHBondContact O-CG2 3.05Å; L26-V30 PolarHBondContact O-N 3.22Å; V30-A34 WeakPolarHBondContact O-CB 3.38Å; V30-A34 PolarHBondContact O-N 2.94Å
31G92.3Very high91.1Very high8 Ų840.1 Ų40.18%0.08223%0.229CC..Hα-helixtrans-61-49.1177.300000113S27 S28 F29 I35S27-G31 PolarHBondContact O-N 3.29Å; S28-G31 PolarHBondContact O-N 3.47Å; F29-G31 VanDerWaalsContact C-N 3.3Å; F29-G31 PolarHBondContact O-N 2.85Å; G31-I35 WeakPolarHBondContact O-CG1 3.2Å; G31-I35 PolarHBondContact O-N 3.47Å
32A93.3Very high91.4Very high0 Ų038 Ų380%021%0.212CC..Hα-helixtrans-65.9-44.2-179.400000112.7S28 F29 I35 G36 L84 L110 I514S28-A32 WeakPolarHBondContact O-CB 3.44Å; S28-A32 PolarHBondContact O-N 3.11Å; F29-A32 PolarHBondContact O-N 3.03Å; A32-I35 PolarHBondContact O-N 3.37Å; A32-G36 PolarHBondContact O-N 2.84Å; A32-L84 HydrophobicContact CB-CD1 3.77Å; A32-L84 HydrophobicContact CB-CG 4.46Å; A32-L84 WeakPolarHBondContact O-CD1 3.38Å; A32-L110 HydrophobicContact CB-CD1 3.41Å; A32-L110 VanDerWaalsContact CB-CD1 3.41Å; A32-I514 HydrophobicContact CB-CD1 4.36Å
33I94.3Very high91.9Very high19 Ų1931.6 Ų31.610%0.09718%0.182CC..Hα-helixtrans-65.8-41.9179.4-66167.4000110.4F29 I35 G36 D37 R111F29-I33 HydrophobicContact CB-CD1 4.2Å; F29-I33 VanDerWaalsContact O-CB 3.25Å; F29-I33 WeakPolarHBondContact O-CB 3.37Å; F29-I33 WeakPolarHBondContact O-CD1 3.35Å; F29-I33 WeakPolarHBondContact O-CG1 3.3Å; F29-I33 PolarHBondContact O-N 2.99Å; I33-I35 VanDerWaalsContact C-N 3.33Å; I33-I35 PolarHBondContact O-N 3.48Å; I33-G36 PolarHBondContact O-N 2.86Å; I33-D37 WeakPolarHBondContact CG2-OD2 3.48Å; I33-D37 WeakPolarHBondContact O-CB 3.49Å; I33-D37 PolarHBondContact O-N 3.11Å; I33-R111 HydrophobicContact CD1-CB 4.03Å; I33-R111 HydrophobicContact CD1-CG 4.37Å; I33-R111 HydrophobicContact CG1-CB 4.26Å
34A93.9Very high92.1Very high55 Ų5528 Ų2846%0.45516%0.163SC..Hα-helixtrans-61.5-40.6177.400000112.4V30 L38V30-A34 WeakPolarHBondContact O-CB 3.38Å; V30-A34 PolarHBondContact O-N 2.94Å; A34-L38 WeakPolarHBondContact O-CB 3.47Å; A34-L38 PolarHBondContact O-N 2.98Å
35I93.5Very high92Very high14 Ų1430.4 Ų30.47%0.07218%0.178CC..Hα-helixtrans-66-43.1174.4-73.6-57.1000111.6G31 A32 I33 L38 V39 L71 V76 A81 L84 T103G31-I35 WeakPolarHBondContact O-CG1 3.2Å; G31-I35 PolarHBondContact O-N 3.47Å; A32-I35 PolarHBondContact O-N 3.37Å; I33-I35 VanDerWaalsContact C-N 3.33Å; I33-I35 PolarHBondContact O-N 3.48Å; I35-L38 WeakPolarHBondContact O-CB 3.37Å; I35-L38 PolarHBondContact O-N 3.46Å; I35-V39 PolarHBondContact O-N 2.94Å; I35-L71 HydrophobicContact CD1-CD2 4.12Å; I35-L71 HydrophobicContact CG2-CD1 4.29Å; I35-L71 HydrophobicContact CG2-CD2 3.58Å; I35-V76 HydrophobicContact CD1-CG2 3.93Å; I35-A81 HydrophobicContact CD1-CB 4.34Å; I35-A81 HydrophobicContact CG1-CB 3.5Å; I35-L84 HydrophobicContact CB-CD1 4.42Å; I35-L84 HydrophobicContact CG2-CB 4.13Å; I35-L84 HydrophobicContact CG2-CD1 4.2Å; I35-T103 HydrophobicContact CG2-CG2 3.64Å
36G94.4Very high92.1Very high0 Ų031.7 Ų31.70%019%0.185CC..Hα-helixtrans-57.6-54.4173.400000111.6A32 I33 L38 V39 K40A32-G36 PolarHBondContact O-N 2.84Å; I33-G36 PolarHBondContact O-N 2.86Å; G36-L38 PolarHBondContact O-N 2.83Å; G36-V39 WeakPolarHBondContact O-CG2 3.44Å; G36-V39 PolarHBondContact O-N 2.95Å; G36-V39 VanDerWaalsContact O-N 3.14Å; G36-K40 VanDerWaalsContact O-CG 3.3Å; G36-K40 WeakPolarHBondContact O-CG 3.43Å; G36-K40 PolarHBondContact O-N 3.1Å
37D94.4Very high92.2Very high76 Ų7627.7 Ų27.741%0.40617%0.168SC..Hα-helixtrans-57.8-34-180-74.2-30.2000112.8I33 K40 R111I33-D37 WeakPolarHBondContact CG2-OD2 3.48Å; I33-D37 WeakPolarHBondContact O-CB 3.49Å; I33-D37 PolarHBondContact O-N 3.11Å; D37-K40 WeakPolarHBondContact OD1-CD 3.4Å; D37-K40 WeakPolarHBondContact OD1-CE 3.36Å; D37-K40 IonicContact OD1-NZ 3.45Å; D37-K40 PolarHBondContact OD1-NZ 3.07Å; D37-R111 VanDerWaalsContact CG-NH2 3.31Å; D37-R111 IonicContact OD1-CZ 2.82Å; D37-R111 IonicContact OD1-NH2 2.74Å; D37-R111 PolarHBondContact OD1-NH2 3.28Å; D37-R111 IonicContact OD2-NH2 2.8Å; D37-R111 PolarHBondContact OD2-NH2 3.23Å
38L94Very high92.2Very high68 Ų6832.5 Ų32.536%0.35619%0.189SC..Hα-helixtrans-62.3-43.9176.7-179.4105.6000112.5A34 I35 G36 K50 I70 L71 I74A34-L38 WeakPolarHBondContact O-CB 3.47Å; A34-L38 PolarHBondContact O-N 2.98Å; I35-L38 WeakPolarHBondContact O-CB 3.37Å; I35-L38 PolarHBondContact O-N 3.46Å; G36-L38 PolarHBondContact O-N 2.83Å; L38-K50 WeakPolarHBondContact O-CE 3.28Å; L38-I70 HydrophobicContact CD2-CG2 3.75Å; L38-L71 HydrophobicContact CD2-CD2 4.17Å; L38-I74 HydrophobicContact CD1-CD1 4.19Å; L38-I74 HydrophobicContact CD2-CD1 3.24Å; L38-I74 HydrophobicContact CG-CD1 4.3Å
39V94.4Very high92.1Very high0 Ų035.1 Ų35.10%020%0.203CC..Hα-helixtrans-91.6-13.1-177.1-59.10000113.6I35 G36 S41 T42 I70 L71 T100 T103 V104I35-V39 PolarHBondContact O-N 2.94Å; G36-V39 WeakPolarHBondContact O-CG2 3.44Å; G36-V39 PolarHBondContact O-N 2.95Å; G36-V39 VanDerWaalsContact O-N 3.14Å; V39-S41 PolarHBondContact O-N 3.19Å; V39-S41 VanDerWaalsContact O-N 3.08Å; V39-T42 PolarHBondContact O-N 3.42Å; V39-T42 PolarHBondContact O-OG1 3.09Å; V39-T42 VanDerWaalsContact O-OG1 3.13Å; V39-I70 HydrophobicContact CG1-CG2 4.21Å; V39-L71 HydrophobicContact CG1-CD1 4.32Å; V39-L71 HydrophobicContact CG1-CD2 3.82Å; V39-L71 HydrophobicContact CG1-CG 3.96Å; V39-T100 HydrophobicContact CB-CG2 4.15Å; V39-T100 HydrophobicContact CG2-CG2 4.08Å; V39-T100 WeakPolarHBondContact O-CG2 3.38Å; V39-T103 HydrophobicContact CG2-CG2 3.88Å; V39-V104 HydrophobicContact CG2-CG2 4.05Å
40K94.1Very high92.1Very high21 Ų2138 Ų389%0.09122%0.216CC..Hα-helixtrans-50.3-39.3-178-88.9176.8-154.3179.90114.1G36 D37 T42 L43 V104 E108 I449 N453G36-K40 VanDerWaalsContact O-CG 3.3Å; G36-K40 WeakPolarHBondContact O-CG 3.43Å; G36-K40 PolarHBondContact O-N 3.1Å; D37-K40 WeakPolarHBondContact OD1-CD 3.4Å; D37-K40 WeakPolarHBondContact OD1-CE 3.36Å; D37-K40 IonicContact OD1-NZ 3.45Å; D37-K40 PolarHBondContact OD1-NZ 3.07Å; K40-T42 PolarHBondContact O-N 3.48Å; K40-L43 WeakPolarHBondContact O-CB 3.38Å; K40-L43 PolarHBondContact O-N 2.95Å; K40-V104 HydrophobicContact CG-CG1 4.09Å; K40-V104 HydrophobicContact CG-CG2 3.78Å; K40-E108 VanDerWaalsContact CE-OE1 3.27Å; K40-E108 WeakPolarHBondContact CE-OE1 3.46Å; K40-E108 IonicContact NZ-OE1 3.65Å; K40-E108 PolarHBondContact NZ-OE1 2.88Å; K40-I449 HydrophobicContact CB-CG2 4.22Å; K40-I449 HydrophobicContact CD-CD1 3.95Å; K40-I449 HydrophobicContact CD-CG1 4.47Å; K40-I449 HydrophobicContact CG-CD1 4.1Å; K40-I449 HydrophobicContact CG-CG2 4.26Å; K40-N453 PolarHBondContact O-ND2 3.44Å
41S93.8Very high92Very high27 Ų2739.8 Ų39.819%0.18922%0.221CC..THydrogen-bonded Turntrans-70.9-10.4-177.476.80000114V39 G47 M48 K50V39-S41 PolarHBondContact O-N 3.19Å; V39-S41 VanDerWaalsContact O-N 3.08Å; S41-G47 CarbonylContact O-C 3.55Å; S41-G47 WeakPolarHBondContact O-CA 3.39Å; S41-M48 PolarHBondContact O-N 3.37Å; S41-K50 WeakPolarHBondContact OG-CE 3.39Å; S41-K50 PolarHBondContact OG-NZ 3.47Å
42T92.3Very high91.9Very high1 Ų140.7 Ų40.71%0.00622%0.224CC..THydrogen-bonded Turntrans-87.3-12176.679.50000112.2V39 K40 K50 N65 I70 T100V39-T42 PolarHBondContact O-N 3.42Å; V39-T42 PolarHBondContact O-OG1 3.09Å; V39-T42 VanDerWaalsContact O-OG1 3.13Å; K40-T42 PolarHBondContact O-N 3.48Å; T42-K50 HydrophobicContact CG2-CG 4.16Å; T42-N65 VanDerWaalsContact CB-O 3.23Å; T42-N65 WeakPolarHBondContact CB-O 3.33Å; T42-N65 PolarHBondContact O-OD1 3.05Å; T42-N65 PolarHBondContact OG1-O 2.71Å; T42-I70 HydrophobicContact CG2-CD1 3.7Å; T42-T100 WeakPolarHBondContact OG1-CG2 3.29Å; T42-T100 PolarHBondContact OG1-OG1 3.21Å
43L92.6Very high91.6Very high13 Ų1346.8 Ų46.87%0.06826%0.255CS..  trans-75.7132.7-176.1-169.867.3000112.5K40 T100 S101 L446 I449 I450 N453K40-L43 WeakPolarHBondContact O-CB 3.38Å; K40-L43 PolarHBondContact O-N 2.95Å; L43-T100 HydrophobicContact CB-CG2 3.97Å; L43-T100 HydrophobicContact CD1-CG2 4.17Å; L43-S101 VanDerWaalsContact CD1-OG 3.29Å; L43-S101 WeakPolarHBondContact CD1-OG 3.49Å; L43-L446 HydrophobicContact CD2-CD2 3.92Å; L43-I449 HydrophobicContact CB-CG2 4.37Å; L43-I449 HydrophobicContact CD2-CB 4.34Å; L43-I449 HydrophobicContact CD2-CG2 4.03Å; L43-I450 HydrophobicContact CD2-CG1 4.07Å; L43-I450 HydrophobicContact CG-CG1 4Å; L43-N453 PolarHBondContact O-ND2 3.42Å
44G90.4Very high91Very high13 Ų1348.8 Ų48.813%0.13427%0.271CS..SBendtrans93.9168.9173.300000114.1K46 G47 S169G44-K46 PolarHBondContact O-N 2.97Å; G44-G47 PolarHBondContact O-N 2.87Å; G44-S169 WeakPolarHBondContact O-CB 3.15Å
45P87.3Confident89.8Confident51 Ų5150.4 Ų50.433%0.33129%0.293SS..THydrogen-bonded Turntrans-68.3-20.8-171.227.1-35.5000114S168 M480P45-S168 CarbonylContact C-O 3.5Å; P45-S168 VanDerWaalsContact CA-O 3.29Å; P45-S168 WeakPolarHBondContact CA-O 3.44Å; P45-M480 HydrophobicContact CG-CB 3.62Å; P45-M480 HydrophobicContact CG-CG 3.68Å
46K88.7Confident88.5Confident84 Ų8453 Ų5337%0.36532%0.317SS..THydrogen-bonded Turntrans-104.725.2172.3-61.8-171.7-171.2167.90111.8G44 A454 Y456 M480G44-K46 PolarHBondContact O-N 2.97Å; K46-A454 HydrophobicContact CB-CB 4.23Å; K46-A454 HydrophobicContact CD-CB 3.84Å; K46-A454 HydrophobicContact CG-CB 4.37Å; K46-Y456 PolarHBondContact NZ-OH 3.38Å; K46-M480 WeakPolarHBondContact CE-O 3.25Å; K46-M480 PolarHBondContact NZ-O 2.81Å
47G87.7Confident86.4Confident14 Ų1463.7 Ų63.714%0.14436%0.363CS..  trans-62.9153.9173.900000112.1S41 G44S41-G47 CarbonylContact O-C 3.55Å; S41-G47 WeakPolarHBondContact O-CA 3.39Å; G44-G47 PolarHBondContact O-N 2.87Å
48M89Confident84.8Confident128 Ų12863.6 Ų63.663%0.63138%0.38SS*.  trans-110.5136.5-176.6-61.7-64.3-67.700111.1S41S41-M48 PolarHBondContact O-N 3.37Å
49D90.1Very high83.3Confident58 Ų5862.5 Ų62.531%0.3139%0.385SS..  trans-72.9155179.4-60.5-16.5000112.8V63 N65D49-V63 HydrophobicContact CB-CG1 3.81Å; D49-N65 VanDerWaalsContact OD1-CB 3.27Å; D49-N65 WeakPolarHBondContact OD1-CB 3.15Å; D49-N65 PolarHBondContact OD1-ND2 3.48Å
50K91.3Very high82.6Confident66 Ų6666.9 Ų66.929%0.28741%0.412SS..EExtended strand (participates in β ladder)trans-107.3139.9173.4-58.7-59-178.6-176.30110.8L38 S41 T42 V63 T64 I70L38-K50 WeakPolarHBondContact O-CE 3.28Å; S41-K50 WeakPolarHBondContact OG-CE 3.39Å; S41-K50 PolarHBondContact OG-NZ 3.47Å; T42-K50 HydrophobicContact CG2-CG 4.16Å; K50-V63 WeakPolarHBondContact O-CA 3.49Å; K50-T64 PolarHBondContact N-O 3.29Å; K50-T64 PolarHBondContact O-N 3.3Å; K50-I70 HydrophobicContact CB-CD1 3.97Å; K50-I70 HydrophobicContact CB-CG1 4.18Å; K50-I70 HydrophobicContact CG-CD1 3.63Å; K50-I70 HydrophobicContact CG-CG1 4.3Å
51I90.4Very high82.1Confident119 Ų11969 Ų6961%0.6143%0.427SS*.EExtended strand (participates in β ladder)trans-96.7117.9171.5-54.1-178.8000108.3V61 V63I51-V61 HydrophobicContact CG2-CG1 3.71Å; I51-V63 HydrophobicContact CG1-CG2 4.17Å
52L89.3Confident81.7Confident27 Ų2769.6 Ų69.614%0.14143%0.43CS..EExtended strand (participates in β ladder)trans-105.8128.2178.8-52.5172.2000108.9T62 T64 I70 A73L52-T62 PolarHBondContact N-O 2.97Å; L52-T62 PolarHBondContact O-N 3.16Å; L52-T64 HydrophobicContact CD1-CG2 3.76Å; L52-I70 HydrophobicContact CD1-CG1 4.32Å; L52-I70 HydrophobicContact CD2-CG2 4.43Å; L52-A73 HydrophobicContact CD1-CB 3.81Å
53L87.1Confident81.6Confident128 Ų12871.4 Ų71.467%0.6744%0.44SS*.EExtended strand (participates in β ladder)trans-117.5115179.5-65.8172.6000109.1V61L53-V61 HydrophobicContact CD2-CB 4.04Å; L53-V61 HydrophobicContact CD2-CG1 3.85Å; L53-V61 HydrophobicContact CD2-CG2 3.52Å
54S82Confident81.4Confident62 Ų6270.8 Ų70.843%0.43444%0.437SS..  trans-78.7127.2174.6-173.10000110.8A56 T60S54-A56 PolarHBondContact O-N 2.97Å; S54-T60 WeakPolarHBondContact CB-OG1 3.36Å; S54-T60 PolarHBondContact N-O 3Å
55G70.1Confident81.3Confident88 Ų8870.3 Ų70.391%0.90743%0.432SS*.  trans-74.91.2-177.900000115.7
56A65.1Low81.3Confident69 Ų6968.3 Ų68.357%0.5742%0.418SS*.SBendtrans-71.8149.8175.300000111.4S54 G58 G59S54-A56 PolarHBondContact O-N 2.97Å; A56-G58 PolarHBondContact O-N 3.17Å; A56-G59 PolarHBondContact O-N 3.31Å
57K49.5Very low81.3Confident224 Ų22464.3 Ų64.397%0.97440%0.401SS*.THydrogen-bonded Turntrans-55.5100.2176.3-74.8-176.8176.7-179.40109.6
58G61.2Low81.4Confident74 Ų7463.7 Ų63.776%0.76339%0.394SS*.THydrogen-bonded Turntrans139.7-15.8-172.800000114.6A56 T60A56-G58 PolarHBondContact O-N 3.17Å; G58-T60 PolarHBondContact O-N 3.34Å
59G63Low81.4Confident45 Ų4559.2 Ų59.246%0.46437%0.374SS..  trans45.758.2164.400000114.9A56 V61A56-G59 PolarHBondContact O-N 3.31Å; G59-V61 PolarHBondContact O-N 2.81Å
60T78.8Confident81.5Confident93 Ų9356.5 Ų56.557%0.57136%0.36SS*.  trans-67.8121.317550.80000109.4S54 G58S54-T60 WeakPolarHBondContact CB-OG1 3.36Å; S54-T60 PolarHBondContact N-O 3Å; G58-T60 PolarHBondContact O-N 3.34Å
61V85.3Confident81.5Confident65 Ų6553.5 Ų53.539%0.39435%0.346SS..EExtended strand (participates in β ladder)trans-95.5119175.9-171.60000108I51 L53 G59I51-V61 HydrophobicContact CG2-CG1 3.71Å; L53-V61 HydrophobicContact CD2-CB 4.04Å; L53-V61 HydrophobicContact CD2-CG1 3.85Å; L53-V61 HydrophobicContact CD2-CG2 3.52Å; G59-V61 PolarHBondContact O-N 2.81Å
62T85.6Confident81.5Confident40 Ų4052.3 Ų52.325%0.24534%0.337CS..EExtended strand (participates in β ladder)trans-115.9126174.8-52.40000108.6L52L52-T62 PolarHBondContact N-O 2.97Å; L52-T62 PolarHBondContact O-N 3.16Å
63V88.7Confident81.4Confident38 Ų3854.1 Ų54.123%0.2336%0.356CS..EExtended strand (participates in β ladder)trans-103.9127.2170.7-173.90000106.8D49 K50 I51 E385 R388D49-V63 HydrophobicContact CB-CG1 3.81Å; K50-V63 WeakPolarHBondContact O-CA 3.49Å; I51-V63 HydrophobicContact CG1-CG2 4.17Å; V63-E385 VanDerWaalsContact O-OE2 3.14Å; V63-R388 PolarHBondContact O-NH2 3.17Å; V63-R388 VanDerWaalsContact O-NH2 3.09Å
64T88.7Confident81.4Confident0 Ų050.7 Ų50.70%034%0.338CS..EExtended strand (participates in β ladder)trans-154149.2-178.1-167.20000113.8K50 L52 D66 T69 I70 E385K50-T64 PolarHBondContact N-O 3.29Å; K50-T64 PolarHBondContact O-N 3.3Å; L52-T64 HydrophobicContact CD1-CG2 3.76Å; T64-D66 PolarHBondContact OG1-N 3.29Å; T64-T69 HydrophobicContact CG2-CG2 3.92Å; T64-I70 HydrophobicContact CG2-CD1 4.4Å; T64-I70 HydrophobicContact CG2-CG1 3.69Å; T64-E385 VanDerWaalsContact CA-OE2 3.29Å; T64-E385 WeakPolarHBondContact CA-OE2 3.27Å; T64-E385 VanDerWaalsContact CB-OE2 3.26Å; T64-E385 WeakPolarHBondContact CB-OE2 3.29Å; T64-E385 PolarHBondContact OG1-OE1 2.95Å; T64-E385 PolarHBondContact OG1-OE2 3.44Å
65N87.9Confident81.5Confident4 Ų451.7 Ų51.72%0.02136%0.358CS..  trans-94.9-23.6170.7-160.1-92.9000112.8T42 D49 G67 S169 E385T42-N65 VanDerWaalsContact CB-O 3.23Å; T42-N65 WeakPolarHBondContact CB-O 3.33Å; T42-N65 PolarHBondContact O-OD1 3.05Å; T42-N65 PolarHBondContact OG1-O 2.71Å; D49-N65 VanDerWaalsContact OD1-CB 3.27Å; D49-N65 WeakPolarHBondContact OD1-CB 3.15Å; D49-N65 PolarHBondContact OD1-ND2 3.48Å; N65-G67 PolarHBondContact O-N 3.4Å; N65-S169 VanDerWaalsContact CG-O 3.26Å; N65-S169 PolarHBondContact ND2-O 2.97Å; N65-S169 VanDerWaalsContact ND2-O 3.14Å; N65-S169 PolarHBondContact OD1-O 3.43Å; N65-E385 PolarHBondContact N-OE1 3.39Å
66D88Confident82.3Confident9 Ų948.6 Ų48.65%0.04832%0.321CS..  trans-68.2121.5-172.2168.940.5000112T64 A68 T69 I70 T99T64-D66 PolarHBondContact OG1-N 3.29Å; D66-A68 VanDerWaalsContact C-N 3.32Å; D66-A68 PolarHBondContact O-N 3.02Å; D66-A68 PolarHBondContact OD1-N 2.89Å; D66-A68 VanDerWaalsContact OD1-N 3.12Å; D66-T69 PolarHBondContact O-N 2.93Å; D66-T69 VanDerWaalsContact OD2-CB 3.28Å; D66-T69 WeakPolarHBondContact OD2-CB 3.41Å; D66-T69 PolarHBondContact OD2-N 3.48Å; D66-T69 PolarHBondContact OD2-OG1 3.43Å; D66-I70 WeakPolarHBondContact O-CD1 3.37Å; D66-I70 VanDerWaalsContact O-CG1 3.29Å; D66-I70 WeakPolarHBondContact O-CG1 3.29Å; D66-I70 PolarHBondContact O-N 2.83Å; D66-T99 PolarHBondContact OD1-OG1 3.19Å
67G88.8Confident83.4Confident0 Ų051.9 Ų51.90%033%0.329CS..Hα-helixtrans-59.7-38.7-179.900000112.8N65 I70 L71 T99 T100N65-G67 PolarHBondContact O-N 3.4Å; G67-I70 PolarHBondContact O-N 2.87Å; G67-L71 WeakPolarHBondContact O-CB 3.27Å; G67-L71 WeakPolarHBondContact O-CG 2.96Å; G67-L71 PolarHBondContact O-N 3.34Å; G67-T99 PolarHBondContact N-OG1 3.29Å; G67-T100 WeakPolarHBondContact CA-OG1 3.48Å; G67-T100 PolarHBondContact N-OG1 3.01Å
68A90Very high85.3Confident1 Ų142.9 Ų42.91%0.00829%0.291CS..Hα-helixtrans-67.3-44.1-179.700000111.1D66 I70 L71 K72 S88 D92 T99D66-A68 VanDerWaalsContact C-N 3.32Å; D66-A68 PolarHBondContact O-N 3.02Å; D66-A68 PolarHBondContact OD1-N 2.89Å; D66-A68 VanDerWaalsContact OD1-N 3.12Å; A68-I70 PolarHBondContact O-N 3.11Å; A68-L71 PolarHBondContact O-N 3.39Å; A68-K72 VanDerWaalsContact O-CB 3.32Å; A68-K72 WeakPolarHBondContact O-CB 3.31Å; A68-K72 WeakPolarHBondContact O-CD 3.35Å; A68-K72 WeakPolarHBondContact O-CG 3.45Å; A68-K72 PolarHBondContact O-N 2.98Å; A68-S88 WeakPolarHBondContact CA-OG 3.5Å; A68-D92 HydrophobicContact CB-CB 3.84Å; A68-T99 HydrophobicContact CB-CG2 3.68Å; A68-T99 PolarHBondContact N-OG1 2.98Å
69T89.1Confident86.7Confident34 Ų3442.1 Ų42.121%0.20927%0.273CS..Hα-helixtrans-60.9-43.1176.2-60.30000111.9T64 D66 A73T64-T69 HydrophobicContact CG2-CG2 3.92Å; D66-T69 PolarHBondContact O-N 2.93Å; D66-T69 VanDerWaalsContact OD2-CB 3.28Å; D66-T69 WeakPolarHBondContact OD2-CB 3.41Å; D66-T69 PolarHBondContact OD2-N 3.48Å; D66-T69 PolarHBondContact OD2-OG1 3.43Å; T69-A73 WeakPolarHBondContact O-CB 3.24Å; T69-A73 PolarHBondContact O-N 3.34Å
70I92Very high88.1Confident1 Ų140.2 Ų40.21%0.00525%0.253CS..Hα-helixtrans-59.7-49.8175.9-67.1162.4000110.7L38 V39 T42 K50 L52 T64 D66 G67 A68 A73 I74L38-I70 HydrophobicContact CD2-CG2 3.75Å; V39-I70 HydrophobicContact CG1-CG2 4.21Å; T42-I70 HydrophobicContact CG2-CD1 3.7Å; K50-I70 HydrophobicContact CB-CD1 3.97Å; K50-I70 HydrophobicContact CB-CG1 4.18Å; K50-I70 HydrophobicContact CG-CD1 3.63Å; K50-I70 HydrophobicContact CG-CG1 4.3Å; L52-I70 HydrophobicContact CD1-CG1 4.32Å; L52-I70 HydrophobicContact CD2-CG2 4.43Å; T64-I70 HydrophobicContact CG2-CD1 4.4Å; T64-I70 HydrophobicContact CG2-CG1 3.69Å; D66-I70 WeakPolarHBondContact O-CD1 3.37Å; D66-I70 VanDerWaalsContact O-CG1 3.29Å; D66-I70 WeakPolarHBondContact O-CG1 3.29Å; D66-I70 PolarHBondContact O-N 2.83Å; G67-I70 PolarHBondContact O-N 2.87Å; A68-I70 PolarHBondContact O-N 3.11Å; I70-A73 PolarHBondContact O-N 3.3Å; I70-I74 HydrophobicContact CG2-CD1 3.71Å; I70-I74 WeakPolarHBondContact O-CD1 3.29Å; I70-I74 VanDerWaalsContact O-CG1 3.3Å; I70-I74 WeakPolarHBondContact O-CG1 3.46Å; I70-I74 PolarHBondContact O-N 3.43Å
71L91.5Very high88.8Confident2 Ų235.9 Ų35.91%0.0123%0.227CC..Hα-helixtrans-70.8-33.3-175.5-67177.2000113.1I35 L38 V39 G67 A68 A73 V85 T103I35-L71 HydrophobicContact CD1-CD2 4.12Å; I35-L71 HydrophobicContact CG2-CD1 4.29Å; I35-L71 HydrophobicContact CG2-CD2 3.58Å; L38-L71 HydrophobicContact CD2-CD2 4.17Å; V39-L71 HydrophobicContact CG1-CD1 4.32Å; V39-L71 HydrophobicContact CG1-CD2 3.82Å; V39-L71 HydrophobicContact CG1-CG 3.96Å; G67-L71 WeakPolarHBondContact O-CB 3.27Å; G67-L71 WeakPolarHBondContact O-CG 2.96Å; G67-L71 PolarHBondContact O-N 3.34Å; A68-L71 PolarHBondContact O-N 3.39Å; L71-A73 VanDerWaalsContact C-N 3.3Å; L71-A73 PolarHBondContact O-N 3.48Å; L71-V85 HydrophobicContact CB-CB 4.38Å; L71-V85 HydrophobicContact CB-CG1 4.04Å; L71-V85 HydrophobicContact CB-CG2 4.01Å; L71-V85 HydrophobicContact CD2-CG2 4.4Å; L71-T103 HydrophobicContact CD1-CG2 3.9Å
72K89.4Confident89.1Confident95 Ų9537.6 Ų37.641%0.41323%0.229SC..Hα-helixtrans-65.6-32.2173.5-74.2166.6-1761730112.1A68 D92A68-K72 VanDerWaalsContact O-CB 3.32Å; A68-K72 WeakPolarHBondContact O-CB 3.31Å; A68-K72 WeakPolarHBondContact O-CD 3.35Å; A68-K72 WeakPolarHBondContact O-CG 3.45Å; A68-K72 PolarHBondContact O-N 2.98Å; K72-D92 IonicContact NZ-OD2 2.95Å; K72-D92 PolarHBondContact NZ-OD2 3.03Å
73A87.4Confident89.5Confident64 Ų6437.6 Ų37.653%0.52923%0.229SC..Hα-helixtrans-81.3-23-177.300000113.8L52 T69 I70 L71L52-A73 HydrophobicContact CD1-CB 3.81Å; T69-A73 WeakPolarHBondContact O-CB 3.24Å; T69-A73 PolarHBondContact O-N 3.34Å; I70-A73 PolarHBondContact O-N 3.3Å; L71-A73 VanDerWaalsContact C-N 3.3Å; L71-A73 PolarHBondContact O-N 3.48Å
74I86.7Confident89.7Confident57 Ų5735.9 Ų35.929%0.29222%0.218SC..SBendtrans-87.3131.8-173.2-66.3166.2000110.8L38 I70 V76L38-I74 HydrophobicContact CD1-CD1 4.19Å; L38-I74 HydrophobicContact CD2-CD1 3.24Å; L38-I74 HydrophobicContact CG-CD1 4.3Å; I70-I74 HydrophobicContact CG2-CD1 3.71Å; I70-I74 WeakPolarHBondContact O-CD1 3.29Å; I70-I74 VanDerWaalsContact O-CG1 3.3Å; I70-I74 WeakPolarHBondContact O-CG1 3.46Å; I70-I74 PolarHBondContact O-N 3.43Å; I74-V76 HydrophobicContact CG2-CG2 4.02Å; I74-V76 PolarHBondContact O-N 2.86Å
75G84.1Confident89.9Confident83 Ų8336.9 Ų36.986%0.85622%0.224SC*.  trans-73.1105.6171.400000111
76V88.1Confident90.1Very high23 Ų2341.4 Ų41.414%0.13925%0.249CC..  trans-107.4125.9179.9-179.80000110.2I35 I74 A81 K82 V85I35-V76 HydrophobicContact CD1-CG2 3.93Å; I74-V76 HydrophobicContact CG2-CG2 4.02Å; I74-V76 PolarHBondContact O-N 2.86Å; V76-A81 HydrophobicContact CG1-CB 3.27Å; V76-K82 HydrophobicContact CB-CG 4.35Å; V76-K82 HydrophobicContact CG1-CG 4.11Å; V76-K82 WeakPolarHBondContact O-CE 3.18Å; V76-V85 HydrophobicContact CG2-CG2 4.22Å
77D87.8Confident90.3Very high137 Ų13742 Ų4273%0.73325%0.251SS*.  trans-94.8-30.9174.9-79.4-35.5000113.3
78N90.3Very high90.5Very high35 Ų3542 Ų4219%0.18725%0.251CS..  trans-68.9129.6-176.9-177.8-58.7000110.7S27 A80 A81 K82S27-N78 PolarHBondContact O-ND2 3.11Å; N78-A80 WeakPolarHBondContact OD1-CB 3.48Å; N78-A80 PolarHBondContact OD1-N 2.86Å; N78-A81 HydrophobicContact CB-CB 3.89Å; N78-A81 WeakPolarHBondContact O-CB 3.49Å; N78-A81 PolarHBondContact O-N 3.04Å; N78-A81 PolarHBondContact OD1-N 3.44Å; N78-K82 PolarHBondContact O-N 3.22Å; N78-K82 VanDerWaalsContact O-N 3.1Å
79P90.6Very high90.6Very high59 Ų5946.7 Ų46.738%0.38327%0.272SS..Hα-helixtrans-67.2-39.2-17626.1-33.6000113.1A81 K82 V83 I520P79-A81 VanDerWaalsContact C-N 3.31Å; P79-A81 PolarHBondContact O-N 3.27Å; P79-K82 WeakPolarHBondContact O-CB 3.34Å; P79-K82 PolarHBondContact O-N 3.19Å; P79-V83 WeakPolarHBondContact O-CG2 3.12Å; P79-V83 PolarHBondContact O-N 3.02Å; P79-V83 VanDerWaalsContact O-N 3.1Å; P79-I520 HydrophobicContact CG-CD1 4.09Å; P79-I520 HydrophobicContact CG-CG2 4.05Å
80A91.5Very high90.8Very high5 Ų548.1 Ų48.14%0.04128%0.28CS..Hα-helixtrans-66.1-37.9178.400000111.5S28 N78 V83 L84 I514S28-A80 VanDerWaalsContact O-CB 3.32Å; S28-A80 WeakPolarHBondContact O-CB 3.48Å; N78-A80 WeakPolarHBondContact OD1-CB 3.48Å; N78-A80 PolarHBondContact OD1-N 2.86Å; A80-V83 WeakPolarHBondContact O-CB 3.49Å; A80-V83 PolarHBondContact O-N 3.04Å; A80-L84 PolarHBondContact O-N 2.85Å; A80-I514 HydrophobicContact CB-CD1 4.14Å; A80-I514 HydrophobicContact CB-CG1 4.16Å; A80-I514 HydrophobicContact CB-CG2 4.16Å
81A92.8Very high90.9Very high2 Ų248.1 Ų48.12%0.01728%0.28CS..Hα-helixtrans-61.3-42.4172.500000111.7I35 V76 N78 P79 V83 L84 V85I35-A81 HydrophobicContact CD1-CB 4.34Å; I35-A81 HydrophobicContact CG1-CB 3.5Å; V76-A81 HydrophobicContact CG1-CB 3.27Å; N78-A81 HydrophobicContact CB-CB 3.89Å; N78-A81 WeakPolarHBondContact O-CB 3.49Å; N78-A81 PolarHBondContact O-N 3.04Å; N78-A81 PolarHBondContact OD1-N 3.44Å; P79-A81 VanDerWaalsContact C-N 3.31Å; P79-A81 PolarHBondContact O-N 3.27Å; A81-V83 VanDerWaalsContact C-N 3.33Å; A81-V83 PolarHBondContact O-N 2.89Å; A81-L84 WeakPolarHBondContact O-CB 3.45Å; A81-L84 PolarHBondContact O-N 3.46Å; A81-L84 VanDerWaalsContact O-N 3.13Å; A81-V85 WeakPolarHBondContact O-CG2 3.06Å; A81-V85 PolarHBondContact O-N 3.49Å
82K92.4Very high90.8Very high101 Ų10149.1 Ų49.144%0.43929%0.285SS..Hα-helixtrans-60.3-39174-72-177.5-176.9-1800113V76 N78 P79 L84 V85 D86V76-K82 HydrophobicContact CB-CG 4.35Å; V76-K82 HydrophobicContact CG1-CG 4.11Å; V76-K82 WeakPolarHBondContact O-CE 3.18Å; N78-K82 PolarHBondContact O-N 3.22Å; N78-K82 VanDerWaalsContact O-N 3.1Å; P79-K82 WeakPolarHBondContact O-CB 3.34Å; P79-K82 PolarHBondContact O-N 3.19Å; K82-L84 PolarHBondContact O-N 3.21Å; K82-V85 PolarHBondContact O-N 3.12Å; K82-V85 VanDerWaalsContact O-N 3.11Å; K82-D86 PolarHBondContact O-N 3.33Å
83V92.9Very high90.8Very high40 Ų4049.7 Ų49.724%0.24229%0.293CS..Hα-helixtrans-57.6-40.9174.9178.40000111P79 A80 A81 M87 M513 I514P79-V83 WeakPolarHBondContact O-CG2 3.12Å; P79-V83 PolarHBondContact O-N 3.02Å; P79-V83 VanDerWaalsContact O-N 3.1Å; A80-V83 WeakPolarHBondContact O-CB 3.49Å; A80-V83 PolarHBondContact O-N 3.04Å; A81-V83 VanDerWaalsContact C-N 3.33Å; A81-V83 PolarHBondContact O-N 2.89Å; V83-M87 WeakPolarHBondContact O-CB 3.43Å; V83-M87 PolarHBondContact O-N 3.18Å; V83-M513 HydrophobicContact CG1-CE 4.42Å; V83-I514 HydrophobicContact CB-CD1 4.36Å; V83-I514 HydrophobicContact CB-CG1 4.49Å; V83-I514 HydrophobicContact CG1-CD1 4.4Å; V83-I514 HydrophobicContact CG1-CG1 4.45Å
84L92.9Very high90.8Very high1 Ų151.7 Ų51.71%0.00529%0.291CS..Hα-helixtrans-68.9-38.4175.2-66.1-170.7000113A32 I35 A80 A81 K82 M87 S88 T103 A106 A510 I514A32-L84 HydrophobicContact CB-CD1 3.77Å; A32-L84 HydrophobicContact CB-CG 4.46Å; A32-L84 WeakPolarHBondContact O-CD1 3.38Å; I35-L84 HydrophobicContact CB-CD1 4.42Å; I35-L84 HydrophobicContact CG2-CB 4.13Å; I35-L84 HydrophobicContact CG2-CD1 4.2Å; A80-L84 PolarHBondContact O-N 2.85Å; A81-L84 WeakPolarHBondContact O-CB 3.45Å; A81-L84 PolarHBondContact O-N 3.46Å; A81-L84 VanDerWaalsContact O-N 3.13Å; K82-L84 PolarHBondContact O-N 3.21Å; L84-M87 PolarHBondContact O-N 3.28Å; L84-S88 WeakPolarHBondContact O-CB 3.42Å; L84-S88 PolarHBondContact O-N 2.88Å; L84-T103 HydrophobicContact CB-CG2 4.39Å; L84-T103 HydrophobicContact CD1-CG2 4.36Å; L84-A106 HydrophobicContact CD2-CB 3.52Å; L84-A510 HydrophobicContact CD2-CB 4.02Å; L84-I514 HydrophobicContact CD2-CD1 4.3Å; L84-I514 HydrophobicContact CG-CD1 4.4Å
85V93.8Very high90.8Very high21 Ų2149.1 Ų49.113%0.12728%0.278CS..Hα-helixtrans-60.4-47174.4176.90000110.9L71 V76 A81 K82 M87 S88 K89L71-V85 HydrophobicContact CB-CB 4.38Å; L71-V85 HydrophobicContact CB-CG1 4.04Å; L71-V85 HydrophobicContact CB-CG2 4.01Å; L71-V85 HydrophobicContact CD2-CG2 4.4Å; V76-V85 HydrophobicContact CG2-CG2 4.22Å; A81-V85 WeakPolarHBondContact O-CG2 3.06Å; A81-V85 PolarHBondContact O-N 3.49Å; K82-V85 PolarHBondContact O-N 3.12Å; K82-V85 VanDerWaalsContact O-N 3.11Å; V85-M87 VanDerWaalsContact C-N 3.31Å; V85-M87 PolarHBondContact O-N 3.04Å; V85-S88 PolarHBondContact O-N 3.49Å; V85-K89 PolarHBondContact O-N 2.76Å
86D92.5Very high90.8Very high100 Ų10045.1 Ų45.154%0.53524%0.237SC..Hα-helixtrans-64-38.7178.2-69.9-26.3000111.1K82 K89 V90K82-D86 PolarHBondContact O-N 3.33Å; D86-K89 WeakPolarHBondContact O-CB 3.37Å; D86-K89 PolarHBondContact O-N 2.85Å; D86-V90 WeakPolarHBondContact O-CG2 3.49Å; D86-V90 PolarHBondContact O-N 3.36Å
87M92Very high90.9Very high22 Ų2245.3 Ų45.311%0.10824%0.238CC..Hα-helixtrans-66.9-39.2176.9-16860.579.700112.4V83 L84 V85 K89 V90 Q91 V102 S506 E509 A510V83-M87 WeakPolarHBondContact O-CB 3.43Å; V83-M87 PolarHBondContact O-N 3.18Å; L84-M87 PolarHBondContact O-N 3.28Å; V85-M87 VanDerWaalsContact C-N 3.31Å; V85-M87 PolarHBondContact O-N 3.04Å; M87-K89 VanDerWaalsContact C-N 3.3Å; M87-K89 PolarHBondContact O-N 2.97Å; M87-V90 PolarHBondContact O-N 2.65Å; M87-Q91 PolarHBondContact O-N 3.29Å; M87-V102 HydrophobicContact CG-CG1 3.73Å; M87-S506 WeakPolarHBondContact CE-O 2.98Å; M87-S506 WeakPolarHBondContact SD-CB 3.25Å; M87-E509 HydrophobicContact CE-CB 4.33Å; M87-A510 HydrophobicContact CE-CB 3.99Å; M87-A510 HydrophobicContact CG-CB 4.29Å
88S93.8Very high91Very high0 Ų039.1 Ų39.10%021%0.206CC..Hα-helixtrans-62.1-39.4173.1-175.40000111.6A68 L84 V85 Q91 D92A68-S88 WeakPolarHBondContact CA-OG 3.5Å; L84-S88 WeakPolarHBondContact O-CB 3.42Å; L84-S88 PolarHBondContact O-N 2.88Å; V85-S88 PolarHBondContact O-N 3.49Å; S88-Q91 PolarHBondContact O-N 3.31Å; S88-D92 PolarHBondContact O-N 2.98Å; S88-D92 VanDerWaalsContact O-N 3.07Å
89K92Very high91.1Very high99 Ų9937.7 Ų37.743%0.4320%0.198SC..Hα-helixtrans-64.5-41.5173.4-179.6179.6176.1-167.60112.6V85 D86 M87 Q91 D92 D93V85-K89 PolarHBondContact O-N 2.76Å; D86-K89 WeakPolarHBondContact O-CB 3.37Å; D86-K89 PolarHBondContact O-N 2.85Å; M87-K89 VanDerWaalsContact C-N 3.3Å; M87-K89 PolarHBondContact O-N 2.97Å; K89-Q91 VanDerWaalsContact C-N 3.3Å; K89-Q91 PolarHBondContact O-N 2.9Å; K89-D92 WeakPolarHBondContact O-CB 3.48Å; K89-D92 PolarHBondContact O-N 2.82Å; K89-D93 VanDerWaalsContact O-CG 3.28Å; K89-D93 PolarHBondContact O-N 3.14Å
90V92.8Very high91.2Very high64 Ų6435.3 Ų35.339%0.38818%0.183SC..Hα-helixtrans-63.1-38.9176.61700000111.2D86 M87 D92 D93 E94D86-V90 WeakPolarHBondContact O-CG2 3.49Å; D86-V90 PolarHBondContact O-N 3.36Å; M87-V90 PolarHBondContact O-N 2.65Å; V90-D92 VanDerWaalsContact C-N 3.35Å; V90-D93 PolarHBondContact O-N 2.97Å; V90-E94 HydrophobicContact CG1-CG 4.3Å; V90-E94 WeakPolarHBondContact O-CB 3.32Å; V90-E94 WeakPolarHBondContact O-CG 3.41Å; V90-E94 PolarHBondContact O-N 3.43Å
91Q92.9Very high91.4Very high0 Ų035.9 Ų35.90%019%0.187CC..Hα-helixtrans-62.3-43.2175.3-177.46625.700112M87 S88 K89 V95 G96 D97 V102M87-Q91 PolarHBondContact O-N 3.29Å; S88-Q91 PolarHBondContact O-N 3.31Å; K89-Q91 VanDerWaalsContact C-N 3.3Å; K89-Q91 PolarHBondContact O-N 2.9Å; Q91-V95 PolarHBondContact O-N 3.32Å; Q91-G96 PolarHBondContact O-N 2.96Å; Q91-G96 VanDerWaalsContact O-N 3.14Å; Q91-D97 WeakPolarHBondContact CG-O 3.35Å; Q91-D97 PolarHBondContact NE2-O 3.18Å; Q91-V102 HydrophobicContact CB-CG2 4.13Å; Q91-V102 HydrophobicContact CG-CG2 3.75Å
92D91.1Very high91.5Very high24 Ų2435.9 Ų35.913%0.12819%0.186CC..Hα-helixtrans-61.5-47.6175.9-169.941000111.4A68 K72 S88 K89 V90 E94 G96 T99A68-D92 HydrophobicContact CB-CB 3.84Å; K72-D92 IonicContact NZ-OD2 2.95Å; K72-D92 PolarHBondContact NZ-OD2 3.03Å; S88-D92 PolarHBondContact O-N 2.98Å; S88-D92 VanDerWaalsContact O-N 3.07Å; K89-D92 WeakPolarHBondContact O-CB 3.48Å; K89-D92 PolarHBondContact O-N 2.82Å; V90-D92 VanDerWaalsContact C-N 3.35Å; D92-E94 PolarHBondContact O-N 3.43Å; D92-G96 WeakPolarHBondContact O-CA 3.24Å; D92-G96 PolarHBondContact O-N 3.41Å; D92-T99 HydrophobicContact CB-CG2 3.8Å
93D88.6Confident91.7Very high106 Ų10631.1 Ų31.157%0.56717%0.165SC*.Hα-helixtrans-68.3-36-178.4-66.9-18.9000112.6K89 V90K89-D93 VanDerWaalsContact O-CG 3.28Å; K89-D93 PolarHBondContact O-N 3.14Å; V90-D93 PolarHBondContact O-N 2.97Å
94E87.1Confident91.9Very high107 Ų10729.2 Ų29.250%0.515%0.154SC..Hα-helixtrans-85.5-41-176.5-73-68.6147.900113.8V90 D92 Q399V90-E94 HydrophobicContact CG1-CG 4.3Å; V90-E94 WeakPolarHBondContact O-CB 3.32Å; V90-E94 WeakPolarHBondContact O-CG 3.41Å; V90-E94 PolarHBondContact O-N 3.43Å; D92-E94 PolarHBondContact O-N 3.43Å; E94-Q399 PolarHBondContact O-NE2 3.21Å; E94-Q399 VanDerWaalsContact O-NE2 3.07Å
95V87.6Confident92.1Very high2 Ų229.1 Ų29.11%0.01215%0.154CC..THydrogen-bonded Turntrans-126.8-24.7-172.2-155.40000113.4Q91 D97 C395 Q498 V499 Q502Q91-V95 PolarHBondContact O-N 3.32Å; V95-D97 VanDerWaalsContact C-N 3.26Å; V95-D97 PolarHBondContact O-N 2.84Å; V95-C395 WeakPolarHBondContact O-CB 3.48Å; V95-Q498 HydrophobicContact CG1-CG 4.4Å; V95-Q498 HydrophobicContact CG2-CG 4.36Å; V95-V499 HydrophobicContact CB-CG2 4.42Å; V95-V499 HydrophobicContact CG1-CB 4.18Å; V95-V499 HydrophobicContact CG1-CG2 3.31Å; V95-Q502 HydrophobicContact CG2-CB 3.96Å; V95-Q502 HydrophobicContact CG2-CG 4.06Å
96G84.3Confident92.2Very high0 Ų028.1 Ų28.10%015%0.148CC..SBendtrans74.65.1177.100000115.8Q91 D92 D392Q91-G96 PolarHBondContact O-N 2.96Å; Q91-G96 VanDerWaalsContact O-N 3.14Å; D92-G96 WeakPolarHBondContact O-CA 3.24Å; D92-G96 PolarHBondContact O-N 3.41Å; G96-D392 WeakPolarHBondContact O-CA 3.37Å; G96-D392 VanDerWaalsContact O-CB 3.25Å; G96-D392 WeakPolarHBondContact O-CB 3.34Å
97D88.8Confident92.4Very high27 Ų2723.4 Ų23.414%0.14412%0.122CC..SBendtrans-147.7164.1174-167.516.7000110.7Q91 V95 T99 T166 V396Q91-D97 WeakPolarHBondContact CG-O 3.35Å; Q91-D97 PolarHBondContact NE2-O 3.18Å; V95-D97 VanDerWaalsContact C-N 3.26Å; V95-D97 PolarHBondContact O-N 2.84Å; D97-T99 VanDerWaalsContact C-N 3.35Å; D97-T166 HydrophobicContact CB-CG2 4.39Å; D97-T166 VanDerWaalsContact OD2-CG2 3.23Å; D97-T166 WeakPolarHBondContact OD2-CG2 3.24Å; D97-T166 PolarHBondContact OD2-OG1 2.84Å; D97-V396 HydrophobicContact CB-CG2 3.18Å
98G89.7Confident92.6Very high6 Ų622.7 Ų22.76%0.06212%0.119CC..  trans7916.3-176.500000114.1T100 S101 V102G98-T100 VanDerWaalsContact C-N 3.35Å; G98-T100 PolarHBondContact O-N 3.47Å; G98-S101 PolarHBondContact O-N 3.46Å; G98-V102 WeakPolarHBondContact O-CG2 3.31Å; G98-V102 PolarHBondContact O-N 2.91Å
99T92.6Very high92.8Very high5 Ų522.7 Ų22.73%0.03112%0.119CC..Hα-helixtrans-56.7-46.1179.258.20000111.7D66 G67 A68 D92 D97 T103D66-T99 PolarHBondContact OD1-OG1 3.19Å; G67-T99 PolarHBondContact N-OG1 3.29Å; A68-T99 HydrophobicContact CB-CG2 3.68Å; A68-T99 PolarHBondContact N-OG1 2.98Å; D92-T99 HydrophobicContact CB-CG2 3.8Å; D97-T99 VanDerWaalsContact C-N 3.35Å; T99-T103 PolarHBondContact O-N 3.41Å; T99-T103 PolarHBondContact O-OG1 3.06Å
100T93.9Very high92.9Very high10 Ų1018 Ų186%0.06110%0.098CC..Hα-helixtrans-66.7-46.6173.6-560000111.5V39 T42 L43 G67 G98 V102 T103 V104V39-T100 HydrophobicContact CB-CG2 4.15Å; V39-T100 HydrophobicContact CG2-CG2 4.08Å; V39-T100 WeakPolarHBondContact O-CG2 3.38Å; T42-T100 WeakPolarHBondContact OG1-CG2 3.29Å; T42-T100 PolarHBondContact OG1-OG1 3.21Å; L43-T100 HydrophobicContact CB-CG2 3.97Å; L43-T100 HydrophobicContact CD1-CG2 4.17Å; G67-T100 WeakPolarHBondContact CA-OG1 3.48Å; G67-T100 PolarHBondContact N-OG1 3.01Å; G98-T100 VanDerWaalsContact C-N 3.35Å; G98-T100 PolarHBondContact O-N 3.47Å; T100-V102 VanDerWaalsContact C-N 3.32Å; T100-V102 PolarHBondContact O-N 3.36Å; T100-T103 PolarHBondContact O-N 2.9Å; T100-T103 VanDerWaalsContact O-N 3.13Å; T100-V104 HydrophobicContact CG2-CG2 3.93Å; T100-V104 WeakPolarHBondContact O-CB 3.49Å; T100-V104 VanDerWaalsContact O-CG2 3.31Å; T100-V104 WeakPolarHBondContact O-CG2 3.35Å; T100-V104 PolarHBondContact O-N 3.03Å
101S94.8Very high93.1Very high17 Ų1718.7 Ų18.712%0.1199%0.094CC..Hα-helixtrans-59.5-40.6-176.3-51.10000112.5L43 G98 L105 M503L43-S101 VanDerWaalsContact CD1-OG 3.29Å; L43-S101 WeakPolarHBondContact CD1-OG 3.49Å; G98-S101 PolarHBondContact O-N 3.46Å; S101-L105 VanDerWaalsContact O-CB 3.24Å; S101-L105 WeakPolarHBondContact O-CB 3.41Å; S101-L105 PolarHBondContact O-N 3.37Å; S101-M503 WeakPolarHBondContact CB-SD 3.42Å
102V95.8Very high93.2Very high1 Ų120.2 Ų20.21%0.00610%0.101CC..Hα-helixtrans-60-50174.1167.10000111.6M87 Q91 G98 T100 L105 A106 M503M87-V102 HydrophobicContact CG-CG1 3.73Å; Q91-V102 HydrophobicContact CB-CG2 4.13Å; Q91-V102 HydrophobicContact CG-CG2 3.75Å; G98-V102 WeakPolarHBondContact O-CG2 3.31Å; G98-V102 PolarHBondContact O-N 2.91Å; T100-V102 VanDerWaalsContact C-N 3.32Å; T100-V102 PolarHBondContact O-N 3.36Å; V102-L105 PolarHBondContact O-N 2.9Å; V102-A106 WeakPolarHBondContact O-CB 3.2Å; V102-A106 PolarHBondContact O-N 2.92Å; V102-M503 HydrophobicContact CG2-CB 3.92Å; V102-M503 HydrophobicContact CG2-CG 3.79Å
103T95.8Very high93.3Very high1 Ų119.1 Ų19.11%0.00610%0.095CC..Hα-helixtrans-64.8-44.2-176.2-52.80000110.9I35 V39 L71 L84 T99 T100 A107I35-T103 HydrophobicContact CG2-CG2 3.64Å; V39-T103 HydrophobicContact CG2-CG2 3.88Å; L71-T103 HydrophobicContact CD1-CG2 3.9Å; L84-T103 HydrophobicContact CB-CG2 4.39Å; L84-T103 HydrophobicContact CD1-CG2 4.36Å; T99-T103 PolarHBondContact O-N 3.41Å; T99-T103 PolarHBondContact O-OG1 3.06Å; T100-T103 PolarHBondContact O-N 2.9Å; T100-T103 VanDerWaalsContact O-N 3.13Å; T103-A107 WeakPolarHBondContact O-CB 3.36Å; T103-A107 PolarHBondContact O-N 3.1Å
104V96.7Very high93.6Very high0 Ų017.6 Ų17.60%09%0.085CC..Hα-helixtrans-65.5-47.2178.9172.80000110.8V39 K40 T100 A106 A107 E108 L446 I449V39-V104 HydrophobicContact CG2-CG2 4.05Å; K40-V104 HydrophobicContact CG-CG1 4.09Å; K40-V104 HydrophobicContact CG-CG2 3.78Å; T100-V104 HydrophobicContact CG2-CG2 3.93Å; T100-V104 WeakPolarHBondContact O-CB 3.49Å; T100-V104 VanDerWaalsContact O-CG2 3.31Å; T100-V104 WeakPolarHBondContact O-CG2 3.35Å; T100-V104 PolarHBondContact O-N 3.03Å; V104-A106 PolarHBondContact O-N 3.39Å; V104-A107 PolarHBondContact O-N 3.17Å; V104-E108 HydrophobicContact CG1-CG 4.34Å; V104-E108 WeakPolarHBondContact O-CG 3.44Å; V104-E108 PolarHBondContact O-N 3.23Å; V104-L446 HydrophobicContact CB-CD2 4.21Å; V104-L446 HydrophobicContact CG1-CD2 3.84Å; V104-I449 HydrophobicContact CG1-CD1 3.38Å
105L97Very high93.9Very high0 Ų016.6 Ų16.60%08%0.082CC..Hα-helixtrans-61.9-43.2179.3-178.858.3000111.8S101 V102 A107 E108 L109 L443 L446 M503 A507S101-L105 VanDerWaalsContact O-CB 3.24Å; S101-L105 WeakPolarHBondContact O-CB 3.41Å; S101-L105 PolarHBondContact O-N 3.37Å; V102-L105 PolarHBondContact O-N 2.9Å; L105-A107 VanDerWaalsContact C-N 3.34Å; L105-A107 PolarHBondContact O-N 2.92Å; L105-E108 PolarHBondContact O-N 3.17Å; L105-L109 HydrophobicContact CG-CD1 4.4Å; L105-L109 WeakPolarHBondContact O-CG 3.43Å; L105-L109 PolarHBondContact O-N 3.42Å; L105-L443 HydrophobicContact CD1-CD2 3.98Å; L105-L443 HydrophobicContact CD2-CD2 4.17Å; L105-L446 HydrophobicContact CB-CD1 4.23Å; L105-L446 HydrophobicContact CB-CD2 4.47Å; L105-L446 HydrophobicContact CD1-CD1 4.17Å; L105-L446 HydrophobicContact CD2-CD1 4.34Å; L105-L446 HydrophobicContact CG-CD1 4.48Å; L105-M503 HydrophobicContact CD2-CE 4.12Å; L105-M503 HydrophobicContact CD2-CG 4.47Å; L105-A507 HydrophobicContact CB-CB 3.89Å; L105-A507 HydrophobicContact CD2-CB 3.73Å; L105-A507 HydrophobicContact CG-CB 3.74Å
106A96.4Very high94.2Very high0 Ų016.8 Ų16.80%08%0.083CC..Hα-helixtrans-62.6-41.7176.600000111.9L84 V102 V104 L109 L110 A507 A510L84-A106 HydrophobicContact CD2-CB 3.52Å; V102-A106 WeakPolarHBondContact O-CB 3.2Å; V102-A106 PolarHBondContact O-N 2.92Å; V104-A106 PolarHBondContact O-N 3.39Å; A106-L109 PolarHBondContact O-N 3.04Å; A106-L110 VanDerWaalsContact O-CG 3.29Å; A106-L110 WeakPolarHBondContact O-CG 3.27Å; A106-L110 PolarHBondContact O-N 3.02Å; A106-L110 VanDerWaalsContact O-N 3.09Å; A106-A507 HydrophobicContact CB-CB 4.12Å; A106-A510 HydrophobicContact CB-CB 4.33Å
107A96.4Very high94.5Very high1 Ų118.4 Ų18.41%0.0089%0.091CC..Hα-helixtrans-65.8-41.2176.800000112.6T103 V104 L105 L110 R111T103-A107 WeakPolarHBondContact O-CB 3.36Å; T103-A107 PolarHBondContact O-N 3.1Å; V104-A107 PolarHBondContact O-N 3.17Å; L105-A107 VanDerWaalsContact C-N 3.34Å; L105-A107 PolarHBondContact O-N 2.92Å; A107-L110 PolarHBondContact O-N 3.41Å; A107-R111 WeakPolarHBondContact O-CB 3.18Å; A107-R111 PolarHBondContact O-N 3.45Å
108E96.9Very high94.6Very high6 Ų621 Ų213%0.02812%0.117CC..Hα-helixtrans-67.9-37.2176.9-70.5-60.5155.400112.3K40 V104 L105 L110 R111 E112 A442 M445 I449K40-E108 VanDerWaalsContact CE-OE1 3.27Å; K40-E108 WeakPolarHBondContact CE-OE1 3.46Å; K40-E108 IonicContact NZ-OE1 3.65Å; K40-E108 PolarHBondContact NZ-OE1 2.88Å; V104-E108 HydrophobicContact CG1-CG 4.34Å; V104-E108 WeakPolarHBondContact O-CG 3.44Å; V104-E108 PolarHBondContact O-N 3.23Å; L105-E108 PolarHBondContact O-N 3.17Å; E108-L110 VanDerWaalsContact C-N 3.34Å; E108-L110 PolarHBondContact O-N 2.69Å; E108-R111 PolarHBondContact O-N 2.96Å; E108-R111 IonicContact OE1-CZ 3.27Å; E108-R111 IonicContact OE1-NH1 3.22Å; E108-E112 PolarHBondContact O-N 3.48Å; E108-A442 HydrophobicContact CB-CB 4.18Å; E108-M445 HydrophobicContact CB-CB 4.27Å; E108-M445 HydrophobicContact CG-CB 3.75Å; E108-M445 HydrophobicContact CG-CG 4.23Å; E108-I449 HydrophobicContact CG-CD1 4.35Å
109L96.7Very high94.7Very high0 Ų028.9 Ų28.90%015%0.145CC..Hα-helixtrans-58.2-48170.6-76.3170.5000111L105 A106 R111 E112 A113 W130 F439 A442 A511L105-L109 HydrophobicContact CG-CD1 4.4Å; L105-L109 WeakPolarHBondContact O-CG 3.43Å; L105-L109 PolarHBondContact O-N 3.42Å; A106-L109 PolarHBondContact O-N 3.04Å; L109-R111 VanDerWaalsContact C-N 3.34Å; L109-R111 PolarHBondContact O-N 3.36Å; L109-E112 PolarHBondContact O-N 2.96Å; L109-A113 PolarHBondContact O-N 2.7Å; L109-W130 HydrophobicContact CB-CH2 3.83Å; L109-W130 HydrophobicContact CB-CZ2 4.35Å; L109-W130 HydrophobicContact CB-CZ3 4.15Å; L109-W130 HydrophobicContact CD2-CH2 4.39Å; L109-W130 HydrophobicContact CD2-CZ2 4.19Å; L109-W130 WeakPolarHBondContact O-CH2 3.45Å; L109-W130 WeakPolarHBondContact O-CZ2 3.2Å; L109-F439 HydrophobicContact CD1-CD2 4.44Å; L109-F439 HydrophobicContact CD1-CE2 4Å; L109-F439 HydrophobicContact CD2-CB 4.41Å; L109-F439 HydrophobicContact CD2-CD2 3.34Å; L109-F439 HydrophobicContact CD2-CE2 3.73Å; L109-F439 HydrophobicContact CD2-CG 4.01Å; L109-A442 HydrophobicContact CD2-CB 3.57Å; L109-A442 HydrophobicContact CG-CB 3.88Å; L109-A511 HydrophobicContact CB-CB 3.97Å; L109-A511 HydrophobicContact CD1-CB 4.08Å
110L95.8Very high94.6Very high0 Ų037.6 Ų37.60%018%0.182CC..Hα-helixtrans-66.4-35-179.9-69.5167.3000112.8F29 A32 A106 A107 E108 A113 E114 A511 I514 L515F29-L110 HydrophobicContact CD1-CB 4.1Å; F29-L110 HydrophobicContact CD1-CD2 4.03Å; F29-L110 HydrophobicContact CE1-CD2 3.81Å; A32-L110 HydrophobicContact CB-CD1 3.41Å; A32-L110 VanDerWaalsContact CB-CD1 3.41Å; A106-L110 VanDerWaalsContact O-CG 3.29Å; A106-L110 WeakPolarHBondContact O-CG 3.27Å; A106-L110 PolarHBondContact O-N 3.02Å; A106-L110 VanDerWaalsContact O-N 3.09Å; A107-L110 PolarHBondContact O-N 3.41Å; E108-L110 VanDerWaalsContact C-N 3.34Å; E108-L110 PolarHBondContact O-N 2.69Å; L110-A113 PolarHBondContact O-N 3.31Å; L110-E114 PolarHBondContact O-N 3.41Å; L110-A511 HydrophobicContact CD2-CB 4.27Å; L110-A511 HydrophobicContact CG-CB 4.24Å; L110-I514 HydrophobicContact CD1-CB 4.24Å; L110-I514 HydrophobicContact CD1-CD1 3.61Å; L110-I514 HydrophobicContact CD1-CG2 4.09Å; L110-I514 HydrophobicContact CD2-CB 3.96Å; L110-I514 HydrophobicContact CD2-CG2 3.77Å; L110-L515 HydrophobicContact CD2-CG 4.19Å
111R95.9Very high94.5Very high79 Ų7938 Ų3830%0.29818%0.184SC..Hα-helixtrans-61.3-44.5171.8-174.7177.6-74.5-172.6-5.7111.6I33 D37 A107 E108 L109 A113 E114 L115I33-R111 HydrophobicContact CD1-CB 4.03Å; I33-R111 HydrophobicContact CD1-CG 4.37Å; I33-R111 HydrophobicContact CG1-CB 4.26Å; D37-R111 VanDerWaalsContact CG-NH2 3.31Å; D37-R111 IonicContact OD1-CZ 2.82Å; D37-R111 IonicContact OD1-NH2 2.74Å; D37-R111 PolarHBondContact OD1-NH2 3.28Å; D37-R111 IonicContact OD2-NH2 2.8Å; D37-R111 PolarHBondContact OD2-NH2 3.23Å; A107-R111 WeakPolarHBondContact O-CB 3.18Å; A107-R111 PolarHBondContact O-N 3.45Å; E108-R111 PolarHBondContact O-N 2.96Å; E108-R111 IonicContact OE1-CZ 3.27Å; E108-R111 IonicContact OE1-NH1 3.22Å; L109-R111 VanDerWaalsContact C-N 3.34Å; L109-R111 PolarHBondContact O-N 3.36Å; R111-A113 VanDerWaalsContact C-N 3.34Å; R111-E114 PolarHBondContact O-N 3.36Å; R111-L115 PolarHBondContact O-N 2.94Å
112E95.4Very high94.4Very high33 Ų3343.1 Ų43.115%0.15421%0.206CC..Hα-helixtrans-65.7-36.6173.7-77.4-67.7152.400112.1E108 L109 L115 L116 K441 A442E108-E112 PolarHBondContact O-N 3.48Å; L109-E112 PolarHBondContact O-N 2.96Å; E112-L115 WeakPolarHBondContact O-CB 3.04Å; E112-L115 PolarHBondContact O-N 2.89Å; E112-L116 WeakPolarHBondContact O-CG 3.42Å; E112-L116 PolarHBondContact O-N 3.3Å; E112-L116 VanDerWaalsContact O-N 3.15Å; E112-K441 HydrophobicContact CG-CB 4.45Å; E112-A442 HydrophobicContact CG-CB 4.46Å
113A94.2Very high94.2Very high0 Ų044.1 Ų44.10%021%0.212CC..Hα-helixtrans-67.3-35.5176.700000113.6L109 L110 R111 L115 L116 I117 W130 L515L109-A113 PolarHBondContact O-N 2.7Å; L110-A113 PolarHBondContact O-N 3.31Å; R111-A113 VanDerWaalsContact C-N 3.34Å; A113-L115 VanDerWaalsContact C-N 3.27Å; A113-L115 PolarHBondContact O-N 3.25Å; A113-L116 PolarHBondContact O-N 3.29Å; A113-L116 VanDerWaalsContact O-N 3.16Å; A113-I117 WeakPolarHBondContact O-CB 3.42Å; A113-I117 WeakPolarHBondContact O-CG1 3.43Å; A113-I117 PolarHBondContact O-N 2.92Å; A113-W130 HydrophobicContact CB-CH2 3.58Å; A113-W130 HydrophobicContact CB-CZ2 3.9Å; A113-L515 HydrophobicContact CB-CD1 4.07Å; A113-L515 HydrophobicContact CB-CD2 3.7Å; A113-L515 HydrophobicContact CB-CG 4.29Å
114E93.8Very high94.1Very high74 Ų7448.8 Ų48.835%0.34623%0.234SC..Hα-helixtrans-54.9-46.1172.6-175.4-178.8-166.900110.7F29 L110 R111 L116 I117 A118F29-E114 HydrophobicContact CD2-CB 3.85Å; F29-E114 HydrophobicContact CD2-CG 3.99Å; F29-E114 HydrophobicContact CE2-CB 4.2Å; F29-E114 HydrophobicContact CG-CB 4.35Å; L110-E114 PolarHBondContact O-N 3.41Å; R111-E114 PolarHBondContact O-N 3.36Å; E114-L116 PolarHBondContact O-N 2.82Å; E114-I117 PolarHBondContact O-N 2.65Å; E114-A118 WeakPolarHBondContact O-CB 3.46Å; E114-A118 PolarHBondContact O-N 2.89Å
115L93.6Very high94Very high87 Ų8750.8 Ų50.846%0.45525%0.246SC..Hα-helixtrans-63.1-39.2177.1-61.8176.4000112.6R111 E112 A113 R119R111-L115 PolarHBondContact O-N 2.94Å; E112-L115 WeakPolarHBondContact O-CB 3.04Å; E112-L115 PolarHBondContact O-N 2.89Å; A113-L115 VanDerWaalsContact C-N 3.27Å; A113-L115 PolarHBondContact O-N 3.25Å; L115-R119 WeakPolarHBondContact O-CG 3.43Å; L115-R119 PolarHBondContact O-N 3.34Å
116L93.5Very high93.9Very high5 Ų550.8 Ų50.83%0.02625%0.246CC..Hα-helixtrans-69.7-39.1177.6-65.6-175.9000112.2E112 A113 E114 R119 K120 L121 I126 V434 A435 S438E112-L116 WeakPolarHBondContact O-CG 3.42Å; E112-L116 PolarHBondContact O-N 3.3Å; E112-L116 VanDerWaalsContact O-N 3.15Å; A113-L116 PolarHBondContact O-N 3.29Å; A113-L116 VanDerWaalsContact O-N 3.16Å; E114-L116 PolarHBondContact O-N 2.82Å; L116-R119 CarbonylContact O-C 3.48Å; L116-R119 WeakPolarHBondContact O-CA 3.49Å; L116-R119 WeakPolarHBondContact O-CB 3.25Å; L116-R119 PolarHBondContact O-N 3.05Å; L116-R119 VanDerWaalsContact O-N 3.14Å; L116-K120 PolarHBondContact O-N 3.2Å; L116-L121 HydrophobicContact CB-CB 4.44Å; L116-L121 HydrophobicContact CB-CD1 4.12Å; L116-L121 HydrophobicContact CD2-CD1 4.09Å; L116-L121 WeakPolarHBondContact O-CB 3.46Å; L116-L121 WeakPolarHBondContact O-CD1 2.99Å; L116-L121 PolarHBondContact O-N 2.77Å; L116-L121 VanDerWaalsContact O-N 3.14Å; L116-I126 HydrophobicContact CB-CD1 3.63Å; L116-I126 HydrophobicContact CB-CG1 4.31Å; L116-I126 HydrophobicContact CD1-CD1 4.14Å; L116-I126 HydrophobicContact CD1-CG1 4.08Å; L116-I126 HydrophobicContact CD1-CG2 4.12Å; L116-V434 HydrophobicContact CD2-CG1 3.71Å; L116-A435 HydrophobicContact CD1-CB 4.3Å; L116-S438 WeakPolarHBondContact CD1-OG 3.38Å
117I91.9Very high93.8Very high34 Ų3450.8 Ų50.817%0.17425%0.246CC..Hα-helixtrans-67.6-40.1177.2-71163.6000110.4F29 A113 E114 R119 K120 P123 I126 L515F29-I117 HydrophobicContact CE2-CD1 3.7Å; F29-I117 HydrophobicContact CZ-CD1 3.44Å; F29-I117 VanDerWaalsContact CZ-CD1 3.44Å; A113-I117 WeakPolarHBondContact O-CB 3.42Å; A113-I117 WeakPolarHBondContact O-CG1 3.43Å; A113-I117 PolarHBondContact O-N 2.92Å; E114-I117 PolarHBondContact O-N 2.65Å; I117-R119 PolarHBondContact O-N 2.98Å; I117-K120 WeakPolarHBondContact O-CA 3.46Å; I117-K120 PolarHBondContact O-N 2.82Å; I117-P123 HydrophobicContact CD1-CG 4.32Å; I117-P123 HydrophobicContact CG1-CG 4.44Å; I117-I126 HydrophobicContact CD1-CD1 4.49Å; I117-I126 HydrophobicContact CG1-CD1 3.86Å; I117-L515 HydrophobicContact CD1-CD2 3.77Å
118A90.4Very high93.8Very high82 Ų8252.4 Ų52.468%0.67826%0.258SS*.Hα-helixtrans-58.5-31.7172.200000112.2E114 K120E114-A118 WeakPolarHBondContact O-CB 3.46Å; E114-A118 PolarHBondContact O-N 2.89Å; A118-K120 PolarHBondContact O-N 3.29Å
119R91.4Very high93.7Very high172 Ų17252.1 Ų52.165%0.64926%0.256SS*.THydrogen-bonded Turntrans-79.712171.6-66.5173.2-174.3-168.71.6114.1L115 L116 I117 L121L115-R119 WeakPolarHBondContact O-CG 3.43Å; L115-R119 PolarHBondContact O-N 3.34Å; L116-R119 CarbonylContact O-C 3.48Å; L116-R119 WeakPolarHBondContact O-CA 3.49Å; L116-R119 WeakPolarHBondContact O-CB 3.25Å; L116-R119 PolarHBondContact O-N 3.05Å; L116-R119 VanDerWaalsContact O-N 3.14Å; I117-R119 PolarHBondContact O-N 2.98Å; R119-L121 VanDerWaalsContact C-N 3.32Å; R119-L121 HydrophobicContact CB-CD1 4.03Å; R119-L121 PolarHBondContact O-N 3.08Å
120K89.8Confident93.7Very high187 Ų18752.2 Ų52.281%0.81326%0.257SS*.THydrogen-bonded Turntrans62.431.6178.9-53.5-177.5177.3-177.90114L116 I117 A118L116-K120 PolarHBondContact O-N 3.2Å; I117-K120 WeakPolarHBondContact O-CA 3.46Å; I117-K120 PolarHBondContact O-N 2.82Å; A118-K120 PolarHBondContact O-N 3.29Å
121L92.3Very high93.7Very high20 Ų2057.9 Ų57.911%0.10528%0.278CS..  trans-79.5137.3165.1-77.4115.8000110.6L116 R119 I126 K431L116-L121 HydrophobicContact CB-CB 4.44Å; L116-L121 HydrophobicContact CB-CD1 4.12Å; L116-L121 HydrophobicContact CD2-CD1 4.09Å; L116-L121 WeakPolarHBondContact O-CB 3.46Å; L116-L121 WeakPolarHBondContact O-CD1 2.99Å; L116-L121 PolarHBondContact O-N 2.77Å; L116-L121 VanDerWaalsContact O-N 3.14Å; R119-L121 VanDerWaalsContact C-N 3.32Å; R119-L121 HydrophobicContact CB-CD1 4.03Å; R119-L121 PolarHBondContact O-N 3.08Å; L121-I126 HydrophobicContact CB-CD1 4.3Å; L121-I126 HydrophobicContact CB-CG1 4.28Å; L121-K431 HydrophobicContact CD2-CB 3.75Å; L121-K431 HydrophobicContact CD2-CD 4.2Å; L121-K431 HydrophobicContact CD2-CG 4.14Å
122H92.3Very high93.7Very high124 Ų12458.2 Ų58.257%0.57428%0.282SS*.  trans-73.1133177.9-168.7-80.1000110Q124 T125 I126H122-Q124 VanDerWaalsContact ND1-CB 3.29Å; H122-Q124 WeakPolarHBondContact ND1-CB 3.05Å; H122-Q124 PolarHBondContact ND1-N 2.81Å; H122-Q124 VanDerWaalsContact ND1-N 3.15Å; H122-Q124 PolarHBondContact O-N 2.92Å; H122-Q124 VanDerWaalsContact O-N 3.15Å; H122-T125 WeakPolarHBondContact O-CB 3.48Å; H122-T125 PolarHBondContact O-N 2.97Å; H122-I126 PolarHBondContact O-N 3.27Å
123P92.5Very high93.7Very high22 Ų2256.7 Ų56.714%0.14327%0.274CS..Hα-helixtrans-52.7-39.6-178.3-28.634.8000113.8I117 T125 I126 I127I117-P123 HydrophobicContact CD1-CG 4.32Å; I117-P123 HydrophobicContact CG1-CG 4.44Å; P123-T125 VanDerWaalsContact C-N 3.28Å; P123-T125 PolarHBondContact O-N 3.29Å; P123-I126 WeakPolarHBondContact O-CB 3.4Å; P123-I126 PolarHBondContact O-N 3.17Å; P123-I126 VanDerWaalsContact O-N 3.08Å; P123-I127 WeakPolarHBondContact O-CG1 3.28Å; P123-I127 PolarHBondContact O-N 3.01Å
124Q93.1Very high93.8Very high98 Ų9857.2 Ų57.246%0.45828%0.278SS..Hα-helixtrans-60.2-33.5176.6-1656128.400113.9H122 S128H122-Q124 VanDerWaalsContact ND1-CB 3.29Å; H122-Q124 WeakPolarHBondContact ND1-CB 3.05Å; H122-Q124 PolarHBondContact ND1-N 2.81Å; H122-Q124 VanDerWaalsContact ND1-N 3.15Å; H122-Q124 PolarHBondContact O-N 2.92Å; H122-Q124 VanDerWaalsContact O-N 3.15Å; Q124-S128 PolarHBondContact O-N 3.46Å
125T94.2Very high93.9Very high42 Ų4258.6 Ų58.626%0.25828%0.284SS..Hα-helixtrans-72.3-36.6175.7-53.70000111H122 P123 S128 G129 K431 E432H122-T125 WeakPolarHBondContact O-CB 3.48Å; H122-T125 PolarHBondContact O-N 2.97Å; P123-T125 VanDerWaalsContact C-N 3.28Å; P123-T125 PolarHBondContact O-N 3.29Å; T125-S128 PolarHBondContact O-N 3.39Å; T125-G129 PolarHBondContact O-N 2.99Å; T125-G129 VanDerWaalsContact O-N 3.08Å; T125-K431 HydrophobicContact CG2-CB 3.85Å; T125-E432 HydrophobicContact CG2-CG 4.08Å
126I95.4Very high94Very high0 Ų055.9 Ų55.90%027%0.271CS..Hα-helixtrans-62.3-49.6174.4-57.8172.7000109.5L116 I117 L121 H122 P123 S128 G129 W130 A435 L515L116-I126 HydrophobicContact CB-CD1 3.63Å; L116-I126 HydrophobicContact CB-CG1 4.31Å; L116-I126 HydrophobicContact CD1-CD1 4.14Å; L116-I126 HydrophobicContact CD1-CG1 4.08Å; L116-I126 HydrophobicContact CD1-CG2 4.12Å; I117-I126 HydrophobicContact CD1-CD1 4.49Å; I117-I126 HydrophobicContact CG1-CD1 3.86Å; L121-I126 HydrophobicContact CB-CD1 4.3Å; L121-I126 HydrophobicContact CB-CG1 4.28Å; H122-I126 PolarHBondContact O-N 3.27Å; P123-I126 WeakPolarHBondContact O-CB 3.4Å; P123-I126 PolarHBondContact O-N 3.17Å; P123-I126 VanDerWaalsContact O-N 3.08Å; I126-S128 VanDerWaalsContact C-N 3.32Å; I126-S128 PolarHBondContact O-N 2.95Å; I126-G129 PolarHBondContact O-N 3.5Å; I126-G129 VanDerWaalsContact O-N 3.14Å; I126-W130 HydrophobicContact CG2-CD2 3.85Å; I126-W130 HydrophobicContact CG2-CE3 4.32Å; I126-W130 HydrophobicContact CG2-CG 4.36Å; I126-W130 HydrophobicContact CG2-CH2 4.25Å; I126-W130 HydrophobicContact CG2-CZ2 3.75Å; I126-W130 PolarHBondContact O-N 2.91Å; I126-A435 HydrophobicContact CB-CB 4.45Å; I126-A435 HydrophobicContact CG2-CB 4.28Å; I126-L515 HydrophobicContact CG2-CD1 4.13Å
127I95.4Very high94.1Very high1 Ų155.6 Ų55.61%0.00527%0.27CS..Hα-helixtrans-56.8-44.5176.6-68.2164.5000111.3P123 G129 W130 R131 E512 L515 R516P123-I127 WeakPolarHBondContact O-CG1 3.28Å; P123-I127 PolarHBondContact O-N 3.01Å; I127-G129 PolarHBondContact O-N 2.94Å; I127-W130 PolarHBondContact O-N 3.07Å; I127-R131 HydrophobicContact CG2-CG 4.46Å; I127-R131 VanDerWaalsContact O-CG 3.3Å; I127-R131 WeakPolarHBondContact O-CG 3.47Å; I127-R131 PolarHBondContact O-N 3.13Å; I127-E512 HydrophobicContact CG1-CG 4.45Å; I127-E512 HydrophobicContact CG2-CG 4.03Å; I127-L515 HydrophobicContact CD1-CB 4.01Å; I127-L515 HydrophobicContact CG1-CB 4.15Å; I127-L515 HydrophobicContact CG1-CD1 4.23Å; I127-R516 HydrophobicContact CD1-CG 3.6Å
128S94.6Very high94.3Very high35 Ų3558.7 Ų58.725%0.24528%0.279CS..Hα-helixtrans-59.4-45177.1-173.50000112Q124 T125 I126 K132 E432Q124-S128 PolarHBondContact O-N 3.46Å; T125-S128 PolarHBondContact O-N 3.39Å; I126-S128 VanDerWaalsContact C-N 3.32Å; I126-S128 PolarHBondContact O-N 2.95Å; S128-K132 PolarHBondContact O-N 3.14Å; S128-E432 WeakPolarHBondContact CB-OE1 3.33Å; S128-E432 PolarHBondContact OG-OE1 2.98Å
129G95.3Very high94.6Very high0 Ų057.7 Ų57.70%026%0.261CS..Hα-helixtrans-64.6-44.4177.300000112.6T125 I126 I127 K132 A133 M436T125-G129 PolarHBondContact O-N 2.99Å; T125-G129 VanDerWaalsContact O-N 3.08Å; I126-G129 PolarHBondContact O-N 3.5Å; I126-G129 VanDerWaalsContact O-N 3.14Å; I127-G129 PolarHBondContact O-N 2.94Å; G129-K132 PolarHBondContact O-N 3.26Å; G129-A133 PolarHBondContact O-N 3.17Å; G129-M436 WeakPolarHBondContact O-CG 3.41Å
130W96.4Very high94.7Very high2 Ų250 Ų501%0.00823%0.234CC..Hα-helixtrans-65.8-39.8179-71.7-2.3000113.2L109 A113 I126 I127 K132 A133 T134 A435 S438 F439 A511 L515L109-W130 HydrophobicContact CB-CH2 3.83Å; L109-W130 HydrophobicContact CB-CZ2 4.35Å; L109-W130 HydrophobicContact CB-CZ3 4.15Å; L109-W130 HydrophobicContact CD2-CH2 4.39Å; L109-W130 HydrophobicContact CD2-CZ2 4.19Å; L109-W130 WeakPolarHBondContact O-CH2 3.45Å; L109-W130 WeakPolarHBondContact O-CZ2 3.2Å; A113-W130 HydrophobicContact CB-CH2 3.58Å; A113-W130 HydrophobicContact CB-CZ2 3.9Å; I126-W130 HydrophobicContact CG2-CD2 3.85Å; I126-W130 HydrophobicContact CG2-CE3 4.32Å; I126-W130 HydrophobicContact CG2-CG 4.36Å; I126-W130 HydrophobicContact CG2-CH2 4.25Å; I126-W130 HydrophobicContact CG2-CZ2 3.75Å; I126-W130 PolarHBondContact O-N 2.91Å; I127-W130 PolarHBondContact O-N 3.07Å; W130-K132 VanDerWaalsContact C-N 3.29Å; W130-K132 PolarHBondContact O-N 2.9Å; W130-A133 CarbonylContact O-C 3.56Å; W130-A133 WeakPolarHBondContact O-CA 3.37Å; W130-A133 WeakPolarHBondContact O-CB 3.45Å; W130-A133 PolarHBondContact O-N 3.04Å; W130-T134 PolarHBondContact O-N 2.99Å; W130-T134 PolarHBondContact O-OG1 3.05Å; W130-A435 PolarHBondContact NE1-O 3.48Å; W130-S438 PolarHBondContact NE1-OG 2.87Å; W130-S438 VanDerWaalsContact NE1-OG 3.15Å; W130-F439 HydrophobicContact CB-CD2 4.12Å; W130-F439 AromaticContact CD1-CD2 3.91Å; W130-F439 HydrophobicContact CD2-CD2 4.34Å; W130-F439 AromaticContact CG-CD2 3.89Å; W130-F439 HydrophobicContact CG-CD2 3.89Å; W130-A511 HydrophobicContact CE3-CB 4.35Å; W130-A511 HydrophobicContact CH2-CB 4.5Å; W130-A511 HydrophobicContact CZ3-CB 3.66Å; W130-L515 HydrophobicContact CE3-CD1 3.74Å; W130-L515 HydrophobicContact CH2-CD1 3.59Å; W130-L515 HydrophobicContact CZ3-CD1 3.12Å; W130-L515 HydrophobicContact CZ3-CG 4.36Å
131R96Very high94.9Very high118 Ų11841.1 Ų41.145%0.44520%0.195SC..Hα-helixtrans-55.3-45.2174.7-78171.8172.8-145.6-22112.9I127 Q135 E512 R516I127-R131 HydrophobicContact CG2-CG 4.46Å; I127-R131 VanDerWaalsContact O-CG 3.3Å; I127-R131 WeakPolarHBondContact O-CG 3.47Å; I127-R131 PolarHBondContact O-N 3.13Å; R131-Q135 PolarHBondContact O-N 3.41Å; R131-Q135 VanDerWaalsContact O-N 3.07Å; R131-E512 WeakPolarHBondContact CG-OE1 3.38Å; R131-E512 IonicContact CZ-OE2 3.1Å; R131-E512 IonicContact NE-OE1 2.62Å; R131-E512 PolarHBondContact NE-OE1 2.83Å; R131-E512 IonicContact NE-OE2 3.1Å; R131-E512 PolarHBondContact NE-OE2 2.91Å; R131-E512 IonicContact NH2-OE2 3.56Å; R131-E512 PolarHBondContact NH2-OE2 3.06Å; R131-R516 VanDerWaalsContact CZ-NH2 3.27Å
132K95.6Very high95Very high87 Ų8747 Ų4738%0.37822%0.216SC..Hα-helixtrans-66.5-41.2176.8-67.2176-176.6178.30111S128 G129 W130 Q135 V136 E432 M436S128-K132 PolarHBondContact O-N 3.14Å; G129-K132 PolarHBondContact O-N 3.26Å; W130-K132 VanDerWaalsContact C-N 3.29Å; W130-K132 PolarHBondContact O-N 2.9Å; K132-Q135 PolarHBondContact O-N 3.12Å; K132-V136 PolarHBondContact O-N 3.35Å; K132-V136 VanDerWaalsContact O-N 3.14Å; K132-E432 IonicContact NZ-OE1 2.57Å; K132-E432 IonicContact NZ-OE2 3.53Å; K132-E432 PolarHBondContact NZ-OE2 3.19Å; K132-M436 HydrophobicContact CB-CE 3.45Å; K132-M436 VanDerWaalsContact CB-CE 3.45Å; K132-M436 HydrophobicContact CD-CE 3.58Å; K132-M436 HydrophobicContact CG-CE 4.16Å
133A96Very high95.1Very high0 Ų048.4 Ų48.40%022%0.223CC..Hα-helixtrans-61.3-47.9175.300000112.2G129 W130 Q135 V136 A137 V421 M436 F439G129-A133 PolarHBondContact O-N 3.17Å; W130-A133 CarbonylContact O-C 3.56Å; W130-A133 WeakPolarHBondContact O-CA 3.37Å; W130-A133 WeakPolarHBondContact O-CB 3.45Å; W130-A133 PolarHBondContact O-N 3.04Å; A133-Q135 VanDerWaalsContact C-N 3.33Å; A133-Q135 PolarHBondContact O-N 2.8Å; A133-V136 PolarHBondContact O-N 3.32Å; A133-A137 VanDerWaalsContact O-CB 3.25Å; A133-A137 WeakPolarHBondContact O-CB 3.28Å; A133-A137 PolarHBondContact O-N 3.43Å; A133-V421 HydrophobicContact CB-CG1 3.69Å; A133-V421 HydrophobicContact CB-CG2 4.11Å; A133-M436 HydrophobicContact CB-CG 4.34Å; A133-F439 HydrophobicContact CB-CB 3.99Å; A133-F439 HydrophobicContact CB-CD1 3.75Å; A133-F439 HydrophobicContact CB-CD2 4.28Å; A133-F439 HydrophobicContact CB-CE1 4.29Å; A133-F439 HydrophobicContact CB-CG 3.75Å
134T96.5Very high95Very high12 Ų1249.5 Ų49.57%0.07423%0.234CC..Hα-helixtrans-59.4-42.3177.3-56.20000111.6W130 R138 L504 L505 S508W130-T134 PolarHBondContact O-N 2.99Å; W130-T134 PolarHBondContact O-OG1 3.05Å; T134-R138 VanDerWaalsContact O-CB 3.27Å; T134-R138 WeakPolarHBondContact O-CB 3.44Å; T134-R138 PolarHBondContact O-N 3.32Å; T134-L504 HydrophobicContact CG2-CD2 4.49Å; T134-L504 HydrophobicContact CG2-CG 4.26Å; T134-L505 HydrophobicContact CG2-CD2 4.05Å; T134-S508 WeakPolarHBondContact CG2-OG 3.49Å; T134-S508 WeakPolarHBondContact OG1-CB 3.48Å; T134-S508 PolarHBondContact OG1-OG 2.99Å
135Q96.1Very high95Very high102 Ų10245.9 Ų45.948%0.47722%0.221SC..Hα-helixtrans-61.3-49.2177.5-179.3176.7-6.200111.6R131 K132 A133 R138 E139R131-Q135 PolarHBondContact O-N 3.41Å; R131-Q135 VanDerWaalsContact O-N 3.07Å; K132-Q135 PolarHBondContact O-N 3.12Å; A133-Q135 VanDerWaalsContact C-N 3.33Å; A133-Q135 PolarHBondContact O-N 2.8Å; Q135-R138 WeakPolarHBondContact O-CB 3.45Å; Q135-R138 PolarHBondContact O-N 3.42Å; Q135-E139 WeakPolarHBondContact CG-OE1 3.39Å; Q135-E139 PolarHBondContact NE2-OE1 3.26Å; Q135-E139 WeakPolarHBondContact O-CG 3.32Å; Q135-E139 PolarHBondContact O-N 3Å
136V96.1Very high94.8Very high30 Ų3045.1 Ų45.118%0.18222%0.219CC..Hα-helixtrans-69.9-38.7-177.9170.70000111.8K132 A133 R138 E139 A140 V420 L424K132-V136 PolarHBondContact O-N 3.35Å; K132-V136 VanDerWaalsContact O-N 3.14Å; A133-V136 PolarHBondContact O-N 3.32Å; V136-R138 VanDerWaalsContact C-N 3.32Å; V136-R138 PolarHBondContact O-N 2.68Å; V136-E139 PolarHBondContact O-N 2.69Å; V136-A140 WeakPolarHBondContact O-CB 3.48Å; V136-A140 PolarHBondContact O-N 3.49Å; V136-V420 HydrophobicContact CG1-CB 4.41Å; V136-V420 HydrophobicContact CG1-CG1 3.39Å; V136-L424 HydrophobicContact CB-CD2 4.16Å; V136-L424 HydrophobicContact CG1-CD2 4.44Å; V136-L424 HydrophobicContact CG2-CD2 3.73Å
137A96Very high94.6Very high0 Ų048.9 Ų48.90%024%0.238CC..Hα-helixtrans-60.3-42.3172.800000111.7A133 A140 L141 M417 V421 L504A133-A137 VanDerWaalsContact O-CB 3.25Å; A133-A137 WeakPolarHBondContact O-CB 3.28Å; A133-A137 PolarHBondContact O-N 3.43Å; A137-A140 PolarHBondContact O-N 3.44Å; A137-L141 WeakPolarHBondContact O-CB 3.41Å; A137-L141 PolarHBondContact O-N 3.16Å; A137-M417 HydrophobicContact CB-CB 3.96Å; A137-M417 HydrophobicContact CB-CG 4Å; A137-M417 HydrophobicContact CB-SD 4.06Å; A137-V421 HydrophobicContact CB-CG2 3.98Å; A137-L504 HydrophobicContact CB-CD1 4.19Å; A137-L504 HydrophobicContact CB-CD2 3.8Å
138R95.4Very high94.2Very high98 Ų9851.2 Ų51.237%0.3725%0.249SC..Hα-helixtrans-64.2-40.1176.1-175.7-174.269.8175.31.6112.2T134 Q135 V136 R142 L504T134-R138 VanDerWaalsContact O-CB 3.27Å; T134-R138 WeakPolarHBondContact O-CB 3.44Å; T134-R138 PolarHBondContact O-N 3.32Å; Q135-R138 WeakPolarHBondContact O-CB 3.45Å; Q135-R138 PolarHBondContact O-N 3.42Å; V136-R138 VanDerWaalsContact C-N 3.32Å; V136-R138 PolarHBondContact O-N 2.68Å; R138-R142 WeakPolarHBondContact O-CB 3.25Å; R138-R142 PolarHBondContact O-N 3.35Å; R138-L504 HydrophobicContact CB-CD2 4Å
139E95.8Very high93.7Very high62 Ų6252.2 Ų52.229%0.2926%0.256SS..Hα-helixtrans-64.9-45.9176.8-74.4167.3-166.700110.9Q135 V136 L141 R142 E143Q135-E139 WeakPolarHBondContact CG-OE1 3.39Å; Q135-E139 PolarHBondContact NE2-OE1 3.26Å; Q135-E139 WeakPolarHBondContact O-CG 3.32Å; Q135-E139 PolarHBondContact O-N 3Å; V136-E139 PolarHBondContact O-N 2.69Å; E139-L141 PolarHBondContact O-N 3.37Å; E139-R142 WeakPolarHBondContact O-CB 3.39Å; E139-R142 PolarHBondContact O-N 3.02Å; E139-R142 VanDerWaalsContact O-N 3.14Å; E139-E143 WeakPolarHBondContact O-CG 3.28Å; E139-E143 PolarHBondContact O-N 3.06Å
140A94.4Very high93.2Very high10 Ų1059.7 Ų59.78%0.08330%0.296CS..Hα-helixtrans-59.7-43175.300000112.7V136 A137 R142 E143 A144 V420V136-A140 WeakPolarHBondContact O-CB 3.48Å; V136-A140 PolarHBondContact O-N 3.49Å; A137-A140 PolarHBondContact O-N 3.44Å; A140-R142 VanDerWaalsContact C-N 3.3Å; A140-R142 PolarHBondContact O-N 3.1Å; A140-E143 PolarHBondContact O-N 3.28Å; A140-A144 WeakPolarHBondContact O-CB 3.31Å; A140-A144 PolarHBondContact O-N 3.19Å; A140-V420 HydrophobicContact CB-CB 4.19Å; A140-V420 HydrophobicContact CB-CG1 4.34Å; A140-V420 HydrophobicContact CB-CG2 3.84Å
141L94.3Very high92.9Very high1 Ų162.7 Ų62.71%0.00531%0.312CS..Hα-helixtrans-62.4-38.7176.2-172.870.8000111.7A137 E139 A145 V407 M417 F497 K500 R501A137-L141 WeakPolarHBondContact O-CB 3.41Å; A137-L141 PolarHBondContact O-N 3.16Å; E139-L141 PolarHBondContact O-N 3.37Å; L141-A145 PolarHBondContact O-N 3.49Å; L141-V407 HydrophobicContact CD1-CB 4.44Å; L141-V407 HydrophobicContact CD1-CG1 3.97Å; L141-V407 HydrophobicContact CD1-CG2 4.49Å; L141-V407 HydrophobicContact CG-CG1 4.47Å; L141-M417 HydrophobicContact CB-SD 4.34Å; L141-F497 HydrophobicContact CB-CE2 4.35Å; L141-F497 HydrophobicContact CD2-CD2 4.14Å; L141-F497 HydrophobicContact CD2-CE2 3.95Å; L141-F497 HydrophobicContact CG-CD2 3.93Å; L141-F497 HydrophobicContact CG-CE2 3.78Å; L141-K500 HydrophobicContact CD1-CB 4.16Å; L141-K500 HydrophobicContact CD2-CB 3.78Å; L141-R501 HydrophobicContact CD2-CB 4.14Å
142R94.7Very high92.4Very high142 Ų14261.4 Ų61.454%0.53632%0.32SS..Hα-helixtrans-68.9-37.4178.1-175-176.865.7170.4-0.7112R138 E139 A140 F497R138-R142 WeakPolarHBondContact O-CB 3.25Å; R138-R142 PolarHBondContact O-N 3.35Å; E139-R142 WeakPolarHBondContact O-CB 3.39Å; E139-R142 PolarHBondContact O-N 3.02Å; E139-R142 VanDerWaalsContact O-N 3.14Å; A140-R142 VanDerWaalsContact C-N 3.3Å; A140-R142 PolarHBondContact O-N 3.1Å; R142-F497 HydrophobicContact CB-CE2 4.21Å; R142-F497 HydrophobicContact CB-CZ 4.16Å; R142-F497 HydrophobicContact CG-CZ 4.39Å
143E93.3Very high92Very high155 Ų15563.2 Ų63.272%0.72433%0.333SS*.Hα-helixtrans-72.3-31.9178.4-73177.8-178.400112.7E139 A140 A145E139-E143 WeakPolarHBondContact O-CG 3.28Å; E139-E143 PolarHBondContact O-N 3.06Å; A140-E143 PolarHBondContact O-N 3.28Å; E143-A145 VanDerWaalsContact C-N 3.34Å
144A90.7Very high91.6Very high45 Ų4569.7 Ų69.737%0.37236%0.358SS..SBendtrans-83-8.317700000114.3A140 L416A140-A144 WeakPolarHBondContact O-CB 3.31Å; A140-A144 PolarHBondContact O-N 3.19Å; A144-L416 HydrophobicContact CB-CD2 3.36Å
145A92.9Very high91.2Very high22 Ų2270.4 Ų70.418%0.18236%0.36CS..  trans-72.9133.8-179.500000111.5L141 E143 R405 T406 V407 F497L141-A145 PolarHBondContact O-N 3.49Å; E143-A145 VanDerWaalsContact C-N 3.34Å; A145-R405 HydrophobicContact CB-CB 4.19Å; A145-R405 HydrophobicContact CB-CG 4.46Å; A145-T406 CarbonylContact C-O 3.06Å; A145-T406 VanDerWaalsContact CA-O 3.31Å; A145-T406 WeakPolarHBondContact CA-O 3.49Å; A145-V407 HydrophobicContact CB-CG1 3.93Å; A145-F497 HydrophobicContact CB-CD2 3.88Å; A145-F497 HydrophobicContact CB-CE2 4.43Å; A145-F497 HydrophobicContact CB-CG 4.3Å
146A90.4Very high90.9Very high26 Ų2669 Ų6922%0.21535%0.353CS..EExtended strand (participates in β ladder)trans-98143.2173.300000110.1R405 T406A146-R405 CarbonylContact O-C 3.6Å; A146-R405 VanDerWaalsContact O-CA 3.29Å; A146-R405 WeakPolarHBondContact O-CA 3.45Å; A146-T406 PolarHBondContact N-O 3.33Å; A146-T406 PolarHBondContact O-N 3.13Å
147D90.9Very high90.6Very high78 Ų7873 Ų7342%0.41737%0.37SS..EExtended strand (participates in β ladder)trans-122.7117.6175.6-174-13.8000109.2S149 R405D147-S149 WeakPolarHBondContact OD1-CB 3.31Å; D147-S149 PolarHBondContact OD1-N 3.39Å; D147-S149 PolarHBondContact OD1-OG 2.8Å; D147-R405 HydrophobicContact CB-CG 4.08Å
148H86.9Confident90.4Very high51 Ų5173.9 Ų73.924%0.23638%0.375CS..  trans-113.617.9178.3-59.4130.7000113N150 D151 R154 D158H148-N150 PolarHBondContact O-N 3.16Å; H148-D151 PolarHBondContact O-N 3.42Å; H148-R154 HydrophobicContact CB-CB 4.35Å; H148-D158 IonicContact CE1-OD2 3.29Å; H148-D158 IonicContact CG-OD2 3.89Å; H148-D158 IonicContact ND1-OD1 2.71Å; H148-D158 IonicContact ND1-OD2 3.78Å; H148-D158 PolarHBondContact ND1-OD2 2.86Å
149S83.1Confident90.2Very high56 Ų5669.3 Ų69.339%0.39236%0.357SS..THydrogen-bonded Turntrans-55.4-25.4-179.851.80000115.2D147 D151D147-S149 WeakPolarHBondContact OD1-CB 3.31Å; D147-S149 PolarHBondContact OD1-N 3.39Å; D147-S149 PolarHBondContact OD1-OG 2.8Å; S149-D151 VanDerWaalsContact C-N 3.33Å
150N86.2Confident90.1Very high157 Ų15768 Ų6884%0.8435%0.352SS*.THydrogen-bonded Turntrans-76.9-17179.7-65.3-48.3000113.9H148H148-N150 PolarHBondContact O-N 3.16Å
151D89.8Confident90Very high64 Ų6468.2 Ų68.234%0.34235%0.352SS..  trans-118.5103.9-178.2-173.5-16.7000109.5H148 S149 D153 R154 F155H148-D151 PolarHBondContact O-N 3.42Å; S149-D151 VanDerWaalsContact C-N 3.33Å; D151-D153 VanDerWaalsContact C-N 3.3Å; D151-D153 PolarHBondContact O-N 2.93Å; D151-D153 PolarHBondContact OD1-N 3.18Å; D151-R154 HydrophobicContact CB-CB 4.07Å; D151-R154 HydrophobicContact CB-CG 4.45Å; D151-R154 PolarHBondContact O-N 3.33Å; D151-R154 WeakPolarHBondContact OD2-CD 3.29Å; D151-R154 WeakPolarHBondContact OD2-CG 3.45Å; D151-F155 VanDerWaalsContact O-CB 3.28Å; D151-F155 WeakPolarHBondContact O-CB 3.24Å; D151-F155 PolarHBondContact O-N 3.19Å
152P84.9Confident90Very high92 Ų9268.3 Ų68.360%0.59735%0.352SS*.Hα-helixtrans-65.4-32.2-172.226.8-34.2000113Q156P152-Q156 WeakPolarHBondContact O-CB 3.14Å; P152-Q156 PolarHBondContact O-N 3.48Å
153D88.1Confident90Very high124 Ų12461.5 Ų61.566%0.66333%0.327SS*.Hα-helixtrans-71.8-45-178.7-68.3-30.1000110.1D151 Q156 E157D151-D153 VanDerWaalsContact C-N 3.3Å; D151-D153 PolarHBondContact O-N 2.93Å; D151-D153 PolarHBondContact OD1-N 3.18Å; D153-Q156 PolarHBondContact O-N 3.06Å; D153-E157 PolarHBondContact O-N 2.96Å; D153-E157 VanDerWaalsContact O-N 3.1Å
154R87Confident89.9Confident137 Ų13757.9 Ų57.952%0.51731%0.307SS..Hα-helixtrans-66-41174.2-76.3-171.2151.8-143.9-6.5112.5H148 D151 Q156 E157 D158H148-R154 HydrophobicContact CB-CB 4.35Å; D151-R154 HydrophobicContact CB-CB 4.07Å; D151-R154 HydrophobicContact CB-CG 4.45Å; D151-R154 PolarHBondContact O-N 3.33Å; D151-R154 WeakPolarHBondContact OD2-CD 3.29Å; D151-R154 WeakPolarHBondContact OD2-CG 3.45Å; R154-Q156 VanDerWaalsContact C-N 3.29Å; R154-Q156 PolarHBondContact O-N 3.49Å; R154-E157 WeakPolarHBondContact O-CB 3.4Å; R154-E157 PolarHBondContact O-N 3.48Å; R154-E157 VanDerWaalsContact O-N 3.17Å; R154-D158 PolarHBondContact O-N 3.25Å
155F88.3Confident90Very high26 Ų2657 Ų5711%0.11430%0.296CS..Hα-helixtrans-62.9-38.8177.5-173.7-113.5000111.6D151 E157 D158 L159 T400 P404D151-F155 VanDerWaalsContact O-CB 3.28Å; D151-F155 WeakPolarHBondContact O-CB 3.24Å; D151-F155 PolarHBondContact O-N 3.19Å; F155-E157 VanDerWaalsContact C-N 3.35Å; F155-D158 PolarHBondContact O-N 3.31Å; F155-L159 HydrophobicContact CD1-CD1 4.01Å; F155-L159 HydrophobicContact CD1-CG 4.41Å; F155-L159 HydrophobicContact CE1-CD1 3.67Å; F155-L159 HydrophobicContact CE1-CD2 4.42Å; F155-L159 HydrophobicContact CE1-CG 4.11Å; F155-L159 HydrophobicContact CZ-CD1 4.2Å; F155-L159 HydrophobicContact CZ-CD2 4.12Å; F155-L159 HydrophobicContact CZ-CG 4.21Å; F155-L159 WeakPolarHBondContact O-CG 3.21Å; F155-L159 PolarHBondContact O-N 3.39Å; F155-T400 HydrophobicContact CE2-CG2 4.45Å; F155-P404 HydrophobicContact CD2-CB 4.39Å; F155-P404 HydrophobicContact CE2-CB 3.64Å; F155-P404 HydrophobicContact CZ-CB 4.22Å
156Q89.1Confident89.9Confident74 Ų7456.3 Ų56.335%0.34629%0.29SS..Hα-helixtrans-65.5-38.1174.3-175.2173.1-10.600112.2P152 D153 R154 L159 L160 V184P152-Q156 WeakPolarHBondContact O-CB 3.14Å; P152-Q156 PolarHBondContact O-N 3.48Å; D153-Q156 PolarHBondContact O-N 3.06Å; R154-Q156 VanDerWaalsContact C-N 3.29Å; R154-Q156 PolarHBondContact O-N 3.49Å; Q156-L159 PolarHBondContact O-N 3.06Å; Q156-L160 WeakPolarHBondContact O-CG 3.44Å; Q156-L160 PolarHBondContact O-N 3.41Å; Q156-V184 HydrophobicContact CG-CG1 4.19Å
157E90.8Very high89.9Confident114 Ų11455.1 Ų55.153%0.53328%0.28SS..Hα-helixtrans-64.3-42.8173.5-172.9172.1-163.800112D153 R154 F155 L159 L160 N161D153-E157 PolarHBondContact O-N 2.96Å; D153-E157 VanDerWaalsContact O-N 3.1Å; R154-E157 WeakPolarHBondContact O-CB 3.4Å; R154-E157 PolarHBondContact O-N 3.48Å; R154-E157 VanDerWaalsContact O-N 3.17Å; F155-E157 VanDerWaalsContact C-N 3.35Å; E157-L159 PolarHBondContact O-N 2.87Å; E157-L160 WeakPolarHBondContact O-CB 3.41Å; E157-L160 PolarHBondContact O-N 2.98Å; E157-N161 PolarHBondContact O-N 2.94Å; E157-N161 PolarHBondContact O-ND2 3.39Å
158D90.6Very high89.7Confident18 Ų1852.3 Ų52.310%0.09627%0.267CS..Hα-helixtrans-59.4-45.7174.1-78.1-10.7000111.7H148 R154 F155 L160 N161 I162 T406H148-D158 IonicContact CE1-OD2 3.29Å; H148-D158 IonicContact CG-OD2 3.89Å; H148-D158 IonicContact ND1-OD1 2.71Å; H148-D158 IonicContact ND1-OD2 3.78Å; H148-D158 PolarHBondContact ND1-OD2 2.86Å; R154-D158 PolarHBondContact O-N 3.25Å; F155-D158 PolarHBondContact O-N 3.31Å; D158-L160 VanDerWaalsContact C-N 3.31Å; D158-L160 PolarHBondContact O-N 2.95Å; D158-N161 PolarHBondContact O-N 3.01Å; D158-I162 VanDerWaalsContact O-CG1 3.28Å; D158-I162 WeakPolarHBondContact O-CG1 3.36Å; D158-I162 PolarHBondContact O-N 3.4Å; D158-T406 HydrophobicContact CB-CG2 4.28Å
159L92.2Very high89.4Confident1 Ų151 Ų511%0.00526%0.263CS..Hα-helixtrans-60.3-40.7175.4-71.7178.4000111.7F155 Q156 E157 I162 A163 V184 M188 L397 T400 V401F155-L159 HydrophobicContact CD1-CD1 4.01Å; F155-L159 HydrophobicContact CD1-CG 4.41Å; F155-L159 HydrophobicContact CE1-CD1 3.67Å; F155-L159 HydrophobicContact CE1-CD2 4.42Å; F155-L159 HydrophobicContact CE1-CG 4.11Å; F155-L159 HydrophobicContact CZ-CD1 4.2Å; F155-L159 HydrophobicContact CZ-CD2 4.12Å; F155-L159 HydrophobicContact CZ-CG 4.21Å; F155-L159 WeakPolarHBondContact O-CG 3.21Å; F155-L159 PolarHBondContact O-N 3.39Å; Q156-L159 PolarHBondContact O-N 3.06Å; E157-L159 PolarHBondContact O-N 2.87Å; L159-I162 PolarHBondContact O-N 2.88Å; L159-A163 WeakPolarHBondContact O-CB 3.14Å; L159-A163 PolarHBondContact O-N 2.89Å; L159-V184 HydrophobicContact CB-CG1 4.28Å; L159-V184 HydrophobicContact CB-CG2 3.95Å; L159-M188 HydrophobicContact CD1-SD 4.12Å; L159-L397 HydrophobicContact CB-CD2 3.86Å; L159-L397 HydrophobicContact CD2-CD2 3.66Å; L159-L397 HydrophobicContact CG-CD2 4.32Å; L159-L397 VanDerWaalsContact O-CD2 3.25Å; L159-L397 WeakPolarHBondContact O-CD2 3.39Å; L159-T400 HydrophobicContact CD2-CG2 3.81Å; L159-V401 HydrophobicContact CD1-CG2 4.49Å
160L93.8Very high89.4Confident34 Ų3449 Ų4918%0.17825%0.247CC..Hα-helixtrans-63.5-41.8175.4-76.1168.9000111.8Q156 E157 D158 A163 R164 K181 V184Q156-L160 WeakPolarHBondContact O-CG 3.44Å; Q156-L160 PolarHBondContact O-N 3.41Å; E157-L160 WeakPolarHBondContact O-CB 3.41Å; E157-L160 PolarHBondContact O-N 2.98Å; D158-L160 VanDerWaalsContact C-N 3.31Å; D158-L160 PolarHBondContact O-N 2.95Å; L160-A163 PolarHBondContact O-N 2.84Å; L160-R164 WeakPolarHBondContact O-CB 3.42Å; L160-R164 VanDerWaalsContact O-CG 3.24Å; L160-R164 WeakPolarHBondContact O-CG 3.23Å; L160-R164 PolarHBondContact O-N 2.84Å; L160-K181 HydrophobicContact CD2-CG 3.99Å; L160-V184 HydrophobicContact CD2-CB 4.11Å; L160-V184 HydrophobicContact CD2-CG2 3.81Å; L160-V184 HydrophobicContact CG-CG2 4.1Å
161N93.1Very high89.2Confident16 Ų1644 Ų449%0.08622%0.22CC..Hα-helixtrans-69.2-37.8179.5-71.8-19.5000112.3E157 D158 R164 T165 G492 T494E157-N161 PolarHBondContact O-N 2.94Å; E157-N161 PolarHBondContact O-ND2 3.39Å; D158-N161 PolarHBondContact O-N 3.01Å; N161-R164 PolarHBondContact O-N 3.06Å; N161-R164 PolarHBondContact OD1-NH1 2.86Å; N161-R164 VanDerWaalsContact OD1-NH1 3.16Å; N161-T165 WeakPolarHBondContact O-CB 3.14Å; N161-T165 PolarHBondContact O-N 2.69Å; N161-T165 PolarHBondContact O-OG1 3.27Å; N161-G492 WeakPolarHBondContact CB-O 3.46Å; N161-T494 WeakPolarHBondContact CB-OG1 3.26Å
162I93.6Very high88.8Confident2 Ų241 Ų411%0.0120%0.204CC..Hα-helixtrans-61.7-49.6171.5-69168000110.6D158 L159 R164 T165 T166 V396 L397 T400 T406 T494D158-I162 VanDerWaalsContact O-CG1 3.28Å; D158-I162 WeakPolarHBondContact O-CG1 3.36Å; D158-I162 PolarHBondContact O-N 3.4Å; L159-I162 PolarHBondContact O-N 2.88Å; I162-R164 VanDerWaalsContact C-N 3.32Å; I162-R164 PolarHBondContact O-N 3.42Å; I162-T165 PolarHBondContact O-N 3.11Å; I162-T165 VanDerWaalsContact O-N 3.12Å; I162-T166 PolarHBondContact O-N 2.92Å; I162-T166 PolarHBondContact O-OG1 3.15Å; I162-V396 HydrophobicContact CG2-CG1 3.41Å; I162-V396 VanDerWaalsContact CG2-CG1 3.41Å; I162-L397 HydrophobicContact CG2-CD2 4.44Å; I162-T400 HydrophobicContact CD1-CG2 3.76Å; I162-T406 HydrophobicContact CD1-CG2 3.81Å; I162-T494 WeakPolarHBondContact CA-O 2.79Å; I162-T494 PolarHBondContact N-OG1 3.15Å
163A93.6Very high88.7Confident0 Ų038.8 Ų38.80%019%0.189CC..Hα-helixtrans-59.5-42.8178.100000112.1L159 L160 T165 L167 V184 L397L159-A163 WeakPolarHBondContact O-CB 3.14Å; L159-A163 PolarHBondContact O-N 2.89Å; L160-A163 PolarHBondContact O-N 2.84Å; A163-T165 VanDerWaalsContact C-N 3.29Å; A163-T165 PolarHBondContact O-N 2.68Å; A163-L167 VanDerWaalsContact O-CB 3.32Å; A163-L167 WeakPolarHBondContact O-CB 3.23Å; A163-L167 WeakPolarHBondContact O-CG 3.39Å; A163-L167 PolarHBondContact O-N 2.81Å; A163-V184 HydrophobicContact CB-CG2 4.41Å; A163-L397 HydrophobicContact CB-CD1 4.14Å; A163-L397 HydrophobicContact CB-CD2 4.29Å
164R92.6Very high88.5Confident79 Ų7941 Ų4130%0.29820%0.195SC..Hα-helixtrans-59.9-40.6175.7-78.2168.4168.8160.8-3.7112.2L160 N161 I162 S168 D177 S180L160-R164 WeakPolarHBondContact O-CB 3.42Å; L160-R164 VanDerWaalsContact O-CG 3.24Å; L160-R164 WeakPolarHBondContact O-CG 3.23Å; L160-R164 PolarHBondContact O-N 2.84Å; N161-R164 PolarHBondContact O-N 3.06Å; N161-R164 PolarHBondContact OD1-NH1 2.86Å; N161-R164 VanDerWaalsContact OD1-NH1 3.16Å; I162-R164 VanDerWaalsContact C-N 3.32Å; I162-R164 PolarHBondContact O-N 3.42Å; R164-S168 WeakPolarHBondContact O-CB 3.24Å; R164-S168 PolarHBondContact O-N 2.98Å; R164-D177 IonicContact CZ-OD1 2.86Å; R164-D177 VanDerWaalsContact CZ-OD1 3.27Å; R164-D177 IonicContact NE-OD1 2.66Å; R164-D177 PolarHBondContact NE-OD1 2.77Å; R164-D177 IonicContact NH2-OD1 3.25Å; R164-D177 PolarHBondContact NH2-OD1 2.97Å; R164-S180 WeakPolarHBondContact CA-OG 3.49Å; R164-S180 WeakPolarHBondContact CG-OG 3.5Å; R164-S180 PolarHBondContact N-OG 3Å
165T91.7Very high88.5Confident25 Ų2537.7 Ų37.715%0.15319%0.185CC..Hα-helixtrans-69.6-50.2-178.7-57.40000110.4N161 I162 A163 L167 S168 I493 T494 E495N161-T165 WeakPolarHBondContact O-CB 3.14Å; N161-T165 PolarHBondContact O-N 2.69Å; N161-T165 PolarHBondContact O-OG1 3.27Å; I162-T165 PolarHBondContact O-N 3.11Å; I162-T165 VanDerWaalsContact O-N 3.12Å; A163-T165 VanDerWaalsContact C-N 3.29Å; A163-T165 PolarHBondContact O-N 2.68Å; T165-L167 VanDerWaalsContact C-N 3.3Å; T165-L167 PolarHBondContact O-N 2.93Å; T165-S168 WeakPolarHBondContact O-CB 3.33Å; T165-S168 PolarHBondContact O-N 3.3Å; T165-S168 VanDerWaalsContact O-N 3.13Å; T165-S168 PolarHBondContact O-OG 2.87Å; T165-I493 HydrophobicContact CG2-CG2 4.06Å; T165-T494 PolarHBondContact OG1-O 3.42Å; T165-E495 HydrophobicContact CG2-CG 3.87Å
166T90.9Very high88.5Confident9 Ų940.1 Ų40.16%0.05520%0.196CC..Hα-helixtrans-61.9-33.8178.2-650000113.1D97 I162 S168 K170 D392 A393D97-T166 HydrophobicContact CB-CG2 4.39Å; D97-T166 VanDerWaalsContact OD2-CG2 3.23Å; D97-T166 WeakPolarHBondContact OD2-CG2 3.24Å; D97-T166 PolarHBondContact OD2-OG1 2.84Å; I162-T166 PolarHBondContact O-N 2.92Å; I162-T166 PolarHBondContact O-OG1 3.15Å; T166-S168 VanDerWaalsContact C-N 3.34Å; T166-K170 WeakPolarHBondContact O-CE 3.31Å; T166-D392 HydrophobicContact CG2-CB 4.4Å; T166-A393 HydrophobicContact CG2-CB 4.43Å
167L90.3Very high88.6Confident0 Ų040.2 Ų40.20%020%0.199CC..Hα-helixtrans-80.9-12.3178.9-68.8173.3000114A163 T165 S169 K170 L172 T173 K176 F179 S389 A393A163-L167 VanDerWaalsContact O-CB 3.32Å; A163-L167 WeakPolarHBondContact O-CB 3.23Å; A163-L167 WeakPolarHBondContact O-CG 3.39Å; A163-L167 PolarHBondContact O-N 2.81Å; T165-L167 VanDerWaalsContact C-N 3.3Å; T165-L167 PolarHBondContact O-N 2.93Å; L167-S169 VanDerWaalsContact C-N 3.34Å; L167-S169 PolarHBondContact O-N 3.44Å; L167-K170 PolarHBondContact O-N 2.97Å; L167-L172 HydrophobicContact CD2-CB 4.29Å; L167-L172 HydrophobicContact CD2-CD1 3.89Å; L167-T173 PolarHBondContact O-OG1 3.34Å; L167-K176 HydrophobicContact CB-CB 4.38Å; L167-F179 HydrophobicContact CD1-CB 3.78Å; L167-S389 WeakPolarHBondContact CD2-O 3.46Å; L167-A393 HydrophobicContact CD1-CB 4.5Å; L167-A393 HydrophobicContact CD2-CB 4.01Å; L167-A393 HydrophobicContact CG-CB 4.12Å
168S86.4Confident88.7Confident20 Ų2038 Ų3814%0.1419%0.188CC..THydrogen-bonded Turntrans-75-14.7-170.169.30000115.7P45 R164 T165 T166 T173P45-S168 CarbonylContact C-O 3.5Å; P45-S168 VanDerWaalsContact CA-O 3.29Å; P45-S168 WeakPolarHBondContact CA-O 3.44Å; R164-S168 WeakPolarHBondContact O-CB 3.24Å; R164-S168 PolarHBondContact O-N 2.98Å; T165-S168 WeakPolarHBondContact O-CB 3.33Å; T165-S168 PolarHBondContact O-N 3.3Å; T165-S168 VanDerWaalsContact O-N 3.13Å; T165-S168 PolarHBondContact O-OG 2.87Å; T166-S168 VanDerWaalsContact C-N 3.34Å; S168-T173 PolarHBondContact O-OG1 3.32Å
169S81.8Confident88.9Confident22 Ų2237.1 Ų37.115%0.15418%0.184CC..THydrogen-bonded Turntrans-96.10.5175.7650000113.4G44 N65 L167G44-S169 WeakPolarHBondContact O-CB 3.15Å; N65-S169 VanDerWaalsContact CG-O 3.26Å; N65-S169 PolarHBondContact ND2-O 2.97Å; N65-S169 VanDerWaalsContact ND2-O 3.14Å; N65-S169 PolarHBondContact OD1-O 3.43Å; L167-S169 VanDerWaalsContact C-N 3.34Å; L167-S169 PolarHBondContact O-N 3.44Å
170K83.3Confident88.9Confident14 Ų1437.1 Ų37.16%0.06118%0.183CC..SBendtrans-116.8174.5-166-55.2-177.9-170.41700111.8T166 L167 L172 T173 S389 D392T166-K170 WeakPolarHBondContact O-CE 3.31Å; L167-K170 PolarHBondContact O-N 2.97Å; K170-L172 PolarHBondContact O-N 3.08Å; K170-T173 PolarHBondContact N-OG1 3.33Å; K170-T173 WeakPolarHBondContact O-CB 3.34Å; K170-T173 PolarHBondContact O-N 2.74Å; K170-T173 PolarHBondContact O-OG1 2.98Å; K170-S389 WeakPolarHBondContact CB-OG 3.27Å; K170-S389 WeakPolarHBondContact CD-OG 3.43Å; K170-D392 VanDerWaalsContact NZ-CG 3.33Å; K170-D392 IonicContact NZ-OD2 3.2Å; K170-D392 PolarHBondContact NZ-OD2 3.14Å
171L81.1Confident88.9Confident53 Ų5341 Ų4128%0.27720%0.199SC..G310 helixtrans-56.7-26.6178.9-170.2136.3000113.4T173 L209 I382 E385L171-T173 PolarHBondContact O-N 3.08Å; L171-L209 HydrophobicContact CD2-CD1 3.62Å; L171-I382 HydrophobicContact CD1-CG1 4.2Å; L171-I382 HydrophobicContact CD2-CG2 3.79Å; L171-E385 HydrophobicContact CB-CG 4.13Å
172L82.3Confident89Confident1 Ų141 Ų411%0.00520%0.199CC..G310 helixtrans-75.3-0.5178.8-61.4-176.9000114.5L167 K170 H174 H175 K176 F179 L209 A386L167-L172 HydrophobicContact CD2-CB 4.29Å; L167-L172 HydrophobicContact CD2-CD1 3.89Å; K170-L172 PolarHBondContact O-N 3.08Å; L172-H174 VanDerWaalsContact C-N 3.31Å; L172-H174 PolarHBondContact O-N 2.71Å; L172-H175 CarbonylContact O-C 3.58Å; L172-H175 VanDerWaalsContact O-C 3.29Å; L172-H175 PolarHBondContact O-N 2.84Å; L172-K176 WeakPolarHBondContact O-CA 3.4Å; L172-K176 PolarHBondContact O-N 3.35Å; L172-F179 HydrophobicContact CB-CD2 4.33Å; L172-F179 HydrophobicContact CD1-CB 4.38Å; L172-F179 HydrophobicContact CD1-CD1 4.02Å; L172-F179 HydrophobicContact CD1-CD2 4.28Å; L172-F179 HydrophobicContact CD1-CE1 4.39Å; L172-F179 HydrophobicContact CD1-CG 3.95Å; L172-F179 HydrophobicContact CD2-CD2 3.86Å; L172-F179 HydrophobicContact CD2-CE1 4.28Å; L172-F179 HydrophobicContact CD2-CE2 3.59Å; L172-F179 HydrophobicContact CD2-CG 4.32Å; L172-F179 HydrophobicContact CD2-CZ 3.81Å; L172-F179 HydrophobicContact CG-CD2 4.39Å; L172-L209 HydrophobicContact CD2-CD1 4.39Å; L172-L209 HydrophobicContact CD2-CD2 4.2Å; L172-A386 HydrophobicContact CD2-CB 3.86Å; L172-A386 HydrophobicContact CG-CB 4.47Å
173T82.3Confident88.9Confident45 Ų4540.9 Ų40.928%0.27620%0.198SC..G310 helixtrans-55.1-40.8-175.8-60.90000113.6L167 S168 K170 L171 H175 K176L167-T173 PolarHBondContact O-OG1 3.34Å; S168-T173 PolarHBondContact O-OG1 3.32Å; K170-T173 PolarHBondContact N-OG1 3.33Å; K170-T173 WeakPolarHBondContact O-CB 3.34Å; K170-T173 PolarHBondContact O-N 2.74Å; K170-T173 PolarHBondContact O-OG1 2.98Å; L171-T173 PolarHBondContact O-N 3.08Å; T173-H175 PolarHBondContact O-N 3.38Å; T173-K176 WeakPolarHBondContact O-CG 3.42Å; T173-K176 PolarHBondContact O-N 3.26Å
174H84.2Confident88.9Confident170 Ų17040.9 Ų40.979%0.78720%0.198SC*.G310 helixtrans-63.6-25.3179.2-69.7-69.1000113.7L172L172-H174 VanDerWaalsContact C-N 3.31Å; L172-H174 PolarHBondContact O-N 2.71Å
175H87.6Confident88.8Confident69 Ų6940.6 Ų40.632%0.31920%0.203SC..G310 helixtrans-123.827.9-178.6-58.9-55000111.8L172 T173 D177 H178 F179 T210L172-H175 CarbonylContact O-C 3.58Å; L172-H175 VanDerWaalsContact O-C 3.29Å; L172-H175 PolarHBondContact O-N 2.84Å; T173-H175 PolarHBondContact O-N 3.38Å; H175-D177 VanDerWaalsContact C-N 3.26Å; H175-D177 PolarHBondContact O-N 3.12Å; H175-H178 WeakPolarHBondContact O-CB 3.39Å; H175-H178 PolarHBondContact O-N 3.24Å; H175-F179 HydrophobicContact CB-CD2 4.09Å; H175-F179 HydrophobicContact CB-CE2 4.16Å; H175-F179 WeakPolarHBondContact O-CD2 3.12Å; H175-F179 PolarHBondContact O-N 3.14Å; H175-T210 WeakPolarHBondContact CE1-CG2 3.23Å; H175-T210 WeakPolarHBondContact ND1-CG2 3.21Å
176K87.9Confident88.8Confident77 Ų7739.4 Ų39.434%0.33520%0.196SC..Hα-helixtrans-57.2-37.1-173.565.9-177.6-179.3177.30113L167 L172 T173 H178 F179 S180L167-K176 HydrophobicContact CB-CB 4.38Å; L172-K176 WeakPolarHBondContact O-CA 3.4Å; L172-K176 PolarHBondContact O-N 3.35Å; T173-K176 WeakPolarHBondContact O-CG 3.42Å; T173-K176 PolarHBondContact O-N 3.26Å; K176-H178 VanDerWaalsContact C-N 3.32Å; K176-H178 PolarHBondContact O-N 3.29Å; K176-F179 PolarHBondContact O-N 3.38Å; K176-S180 WeakPolarHBondContact O-CB 3.41Å; K176-S180 PolarHBondContact O-N 3.33Å; K176-S180 PolarHBondContact O-OG 3.36Å
177D91.2Very high88.8Confident75 Ų7539.3 Ų39.340%0.40120%0.195SC..Hα-helixtrans-64.3-36179-73.5-53000113.1R164 H175 K181R164-D177 IonicContact CZ-OD1 2.86Å; R164-D177 VanDerWaalsContact CZ-OD1 3.27Å; R164-D177 IonicContact NE-OD1 2.66Å; R164-D177 PolarHBondContact NE-OD1 2.77Å; R164-D177 IonicContact NH2-OD1 3.25Å; R164-D177 PolarHBondContact NH2-OD1 2.97Å; H175-D177 VanDerWaalsContact C-N 3.26Å; H175-D177 PolarHBondContact O-N 3.12Å; D177-K181 VanDerWaalsContact O-CG 3.32Å; D177-K181 WeakPolarHBondContact O-CG 3.36Å; D177-K181 PolarHBondContact O-N 3Å
178H92.6Very high88.6Confident68 Ų6843.5 Ų43.532%0.31522%0.215SC..Hα-helixtrans-69.1-53.4177.6-175.462.4000110.5H175 K176 S180 K181 L182 T210 S212H175-H178 WeakPolarHBondContact O-CB 3.39Å; H175-H178 PolarHBondContact O-N 3.24Å; K176-H178 VanDerWaalsContact C-N 3.32Å; K176-H178 PolarHBondContact O-N 3.29Å; H178-S180 VanDerWaalsContact C-N 3.33Å; H178-S180 PolarHBondContact O-N 2.81Å; H178-K181 PolarHBondContact O-N 3.03Å; H178-L182 WeakPolarHBondContact O-CG 3.47Å; H178-L182 PolarHBondContact O-N 3.2Å; H178-T210 PolarHBondContact NE2-O 2.81Å; H178-S212 PolarHBondContact NE2-O 2.79Å
179F93.6Very high88.5Confident0 Ų046 Ų460%022%0.222CC..Hα-helixtrans-66.4-32-179.8-76.6-79.1000113.4L167 L172 H175 K176 L182 A183 L209 L375L167-F179 HydrophobicContact CD1-CB 3.78Å; L172-F179 HydrophobicContact CB-CD2 4.33Å; L172-F179 HydrophobicContact CD1-CB 4.38Å; L172-F179 HydrophobicContact CD1-CD1 4.02Å; L172-F179 HydrophobicContact CD1-CD2 4.28Å; L172-F179 HydrophobicContact CD1-CE1 4.39Å; L172-F179 HydrophobicContact CD1-CG 3.95Å; L172-F179 HydrophobicContact CD2-CD2 3.86Å; L172-F179 HydrophobicContact CD2-CE1 4.28Å; L172-F179 HydrophobicContact CD2-CE2 3.59Å; L172-F179 HydrophobicContact CD2-CG 4.32Å; L172-F179 HydrophobicContact CD2-CZ 3.81Å; L172-F179 HydrophobicContact CG-CD2 4.39Å; H175-F179 HydrophobicContact CB-CD2 4.09Å; H175-F179 HydrophobicContact CB-CE2 4.16Å; H175-F179 WeakPolarHBondContact O-CD2 3.12Å; H175-F179 PolarHBondContact O-N 3.14Å; K176-F179 PolarHBondContact O-N 3.38Å; F179-L182 HydrophobicContact CD1-CD1 4.15Å; F179-L182 HydrophobicContact CE1-CD1 4.38Å; F179-L182 PolarHBondContact O-N 3.24Å; F179-A183 WeakPolarHBondContact O-CB 3.35Å; F179-A183 PolarHBondContact O-N 3.05Å; F179-L209 HydrophobicContact CE2-CB 4.3Å; F179-L209 HydrophobicContact CZ-CB 4.37Å; F179-L209 HydrophobicContact CZ-CD2 4.4Å; F179-L209 WeakPolarHBondContact CZ-O 3.17Å; F179-L375 HydrophobicContact CE1-CD2 3.63Å; F179-L375 HydrophobicContact CZ-CD2 4.4Å
180S93.6Very high88.5Confident0 Ų045.1 Ų45.10%022%0.215CC..Hα-helixtrans-63.4-44.8174.6-59.80000111.2R164 K176 H178 L182 A183 V184R164-S180 WeakPolarHBondContact CA-OG 3.49Å; R164-S180 WeakPolarHBondContact CG-OG 3.5Å; R164-S180 PolarHBondContact N-OG 3Å; K176-S180 WeakPolarHBondContact O-CB 3.41Å; K176-S180 PolarHBondContact O-N 3.33Å; K176-S180 PolarHBondContact O-OG 3.36Å; H178-S180 VanDerWaalsContact C-N 3.33Å; H178-S180 PolarHBondContact O-N 2.81Å; S180-L182 PolarHBondContact O-N 3.48Å; S180-A183 PolarHBondContact O-N 3.25Å; S180-V184 WeakPolarHBondContact O-CB 3.21Å; S180-V184 VanDerWaalsContact O-CG2 3.31Å; S180-V184 WeakPolarHBondContact O-CG2 3.41Å; S180-V184 PolarHBondContact O-N 3.25Å
181K93.9Very high88.1Confident115 Ų11551.6 Ų51.650%0.524%0.244SC..Hα-helixtrans-63.5-41.6175.4-71172.8-175.9179.10111.8L160 D177 H178 N185L160-K181 HydrophobicContact CD2-CG 3.99Å; D177-K181 VanDerWaalsContact O-CG 3.32Å; D177-K181 WeakPolarHBondContact O-CG 3.36Å; D177-K181 PolarHBondContact O-N 3Å; H178-K181 PolarHBondContact O-N 3.03Å; K181-N185 VanDerWaalsContact O-CB 3.24Å; K181-N185 WeakPolarHBondContact O-CB 3.46Å; K181-N185 PolarHBondContact O-N 2.82Å; K181-N185 PolarHBondContact O-ND2 3.2Å
182L93.6Very high87.5Confident16 Ų1651.3 Ų51.38%0.08425%0.253CS..Hα-helixtrans-60.6-48.3176.4-68.5176.8000111.7H178 F179 S180 N185 A186 L214H178-L182 WeakPolarHBondContact O-CG 3.47Å; H178-L182 PolarHBondContact O-N 3.2Å; F179-L182 HydrophobicContact CD1-CD1 4.15Å; F179-L182 HydrophobicContact CE1-CD1 4.38Å; F179-L182 PolarHBondContact O-N 3.24Å; S180-L182 PolarHBondContact O-N 3.48Å; L182-N185 PolarHBondContact O-N 3.4Å; L182-A186 VanDerWaalsContact O-CB 3.31Å; L182-A186 WeakPolarHBondContact O-CB 3.44Å; L182-A186 PolarHBondContact O-N 3.07Å; L182-L214 HydrophobicContact CD2-CB 3.69Å
183A93.3Very high86.8Confident0 Ų054.6 Ų54.60%028%0.276CS..Hα-helixtrans-63.6-47.1-179.300000111.8F179 S180 A186 V187 L390 L394 L397F179-A183 WeakPolarHBondContact O-CB 3.35Å; F179-A183 PolarHBondContact O-N 3.05Å; S180-A183 PolarHBondContact O-N 3.25Å; A183-A186 PolarHBondContact O-N 3.28Å; A183-V187 WeakPolarHBondContact O-CG2 3.39Å; A183-V187 PolarHBondContact O-N 3.34Å; A183-L390 HydrophobicContact CB-CD1 4.02Å; A183-L394 HydrophobicContact CB-CD2 4.05Å; A183-L397 HydrophobicContact CB-CD1 3.65Å
184V92.8Very high86.1Confident1 Ų153.3 Ų53.31%0.00627%0.272CS..Hα-helixtrans-62.7-46.2177.8173.50000111.2Q156 L159 L160 A163 S180 A186 V187 M188 L397Q156-V184 HydrophobicContact CG-CG1 4.19Å; L159-V184 HydrophobicContact CB-CG1 4.28Å; L159-V184 HydrophobicContact CB-CG2 3.95Å; L160-V184 HydrophobicContact CD2-CB 4.11Å; L160-V184 HydrophobicContact CD2-CG2 3.81Å; L160-V184 HydrophobicContact CG-CG2 4.1Å; A163-V184 HydrophobicContact CB-CG2 4.41Å; S180-V184 WeakPolarHBondContact O-CB 3.21Å; S180-V184 VanDerWaalsContact O-CG2 3.31Å; S180-V184 WeakPolarHBondContact O-CG2 3.41Å; S180-V184 PolarHBondContact O-N 3.25Å; V184-A186 VanDerWaalsContact C-N 3.29Å; V184-A186 PolarHBondContact O-N 2.9Å; V184-V187 PolarHBondContact O-N 3.49Å; V184-M188 HydrophobicContact CG1-CG 4.15Å; V184-M188 WeakPolarHBondContact O-CB 3.49Å; V184-M188 VanDerWaalsContact O-CG 3.24Å; V184-M188 WeakPolarHBondContact O-CG 3.33Å; V184-M188 PolarHBondContact O-N 3.1Å; V184-L397 HydrophobicContact CG2-CD1 3.97Å; V184-L397 HydrophobicContact CG2-CD2 4.21Å
185N91.3Very high85.8Confident73 Ų7348.6 Ų48.639%0.3925%0.253SS..Hα-helixtrans-62-38.2177.7-72-18.1000112.1K181 L182 R189 L214K181-N185 VanDerWaalsContact O-CB 3.24Å; K181-N185 WeakPolarHBondContact O-CB 3.46Å; K181-N185 PolarHBondContact O-N 2.82Å; K181-N185 PolarHBondContact O-ND2 3.2Å; L182-N185 PolarHBondContact O-N 3.4Å; N185-R189 WeakPolarHBondContact O-CG 3.38Å; N185-R189 PolarHBondContact O-N 3.06Å; N185-L214 HydrophobicContact CB-CD2 3.64Å
186A91.4Very high85.6Confident0 Ų047.4 Ų47.40%025%0.248CC..Hα-helixtrans-65.8-44.7177.400000111.9L182 A183 V184 R189 I199 L214 I373 L394L182-A186 VanDerWaalsContact O-CB 3.31Å; L182-A186 WeakPolarHBondContact O-CB 3.44Å; L182-A186 PolarHBondContact O-N 3.07Å; A183-A186 PolarHBondContact O-N 3.28Å; V184-A186 VanDerWaalsContact C-N 3.29Å; V184-A186 PolarHBondContact O-N 2.9Å; A186-R189 WeakPolarHBondContact O-CB 3.33Å; A186-R189 PolarHBondContact O-N 3.42Å; A186-I199 HydrophobicContact CB-CD1 4.02Å; A186-L214 HydrophobicContact CB-CD1 4.06Å; A186-L214 HydrophobicContact CB-CD2 4.3Å; A186-I373 HydrophobicContact CB-CD1 3.9Å; A186-L394 HydrophobicContact CB-CD2 4.19Å
187V89.8Confident85.4Confident6 Ų649.5 Ų49.54%0.03626%0.259CS..Hα-helixtrans-69.8-39.3179.5173.50000111.9A183 V184 R189 L190 I199 L394 L397 V401A183-V187 WeakPolarHBondContact O-CG2 3.39Å; A183-V187 PolarHBondContact O-N 3.34Å; V184-V187 PolarHBondContact O-N 3.49Å; V187-R189 PolarHBondContact O-N 2.82Å; V187-L190 WeakPolarHBondContact O-CB 3.46Å; V187-L190 PolarHBondContact O-N 3.33Å; V187-I199 HydrophobicContact CG2-CD1 4.39Å; V187-L394 HydrophobicContact CG2-CD2 3.74Å; V187-L397 HydrophobicContact CB-CB 4.33Å; V187-L397 HydrophobicContact CG1-CB 4.23Å; V187-L397 HydrophobicContact CG2-CB 3.84Å; V187-L397 HydrophobicContact CG2-CD1 4.31Å; V187-V401 HydrophobicContact CG1-CG2 3.69Å
188M87.4Confident85.2Confident88 Ų8846.1 Ų46.143%0.43324%0.241SC..Hα-helixtrans-62.9-30.2176-71.2-62.4-73.600112.3L159 V184 L190 K191L159-M188 HydrophobicContact CD1-SD 4.12Å; V184-M188 HydrophobicContact CG1-CG 4.15Å; V184-M188 WeakPolarHBondContact O-CB 3.49Å; V184-M188 VanDerWaalsContact O-CG 3.24Å; V184-M188 WeakPolarHBondContact O-CG 3.33Å; V184-M188 PolarHBondContact O-N 3.1Å; M188-L190 VanDerWaalsContact C-N 3.29Å; M188-L190 PolarHBondContact O-N 2.86Å; M188-K191 PolarHBondContact O-N 2.99Å
189R84.6Confident85.1Confident72 Ų7243.3 Ų43.327%0.27223%0.229SC..Hα-helixtrans-67.6-26173.8-76.9-177.9-175.3-175.59.6113.9N185 A186 V187 K191 D215N185-R189 WeakPolarHBondContact O-CG 3.38Å; N185-R189 PolarHBondContact O-N 3.06Å; A186-R189 WeakPolarHBondContact O-CB 3.33Å; A186-R189 PolarHBondContact O-N 3.42Å; V187-R189 PolarHBondContact O-N 2.82Å; R189-K191 PolarHBondContact O-N 3.27Å; R189-D215 PolarHBondContact NH1-O 3Å
190L81.2Confident84.9Confident5 Ų545.3 Ų45.33%0.02624%0.238CC..THydrogen-bonded Turntrans-70.4-9.4178.6-63.8177.6000113.6V187 M188 G192 S193 A198 I199 E369V187-L190 WeakPolarHBondContact O-CB 3.46Å; V187-L190 PolarHBondContact O-N 3.33Å; M188-L190 VanDerWaalsContact C-N 3.29Å; M188-L190 PolarHBondContact O-N 2.86Å; L190-G192 PolarHBondContact O-N 3.43Å; L190-S193 WeakPolarHBondContact O-CB 3.36Å; L190-S193 PolarHBondContact O-N 3.43Å; L190-S193 PolarHBondContact O-OG 2.93Å; L190-A198 HydrophobicContact CD2-CB 3.55Å; L190-I199 HydrophobicContact CD1-CD1 3.74Å; L190-I199 HydrophobicContact CD1-CG1 3.94Å; L190-I199 HydrophobicContact CD2-CG1 4.05Å; L190-I199 HydrophobicContact CG-CD1 4.31Å; L190-I199 HydrophobicContact CG-CG1 4.23Å; L190-E369 VanDerWaalsContact CD2-O 3.27Å; L190-E369 WeakPolarHBondContact CD2-O 3.44Å
191K73.8Confident84.9Confident150 Ų15046.6 Ų46.665%0.65225%0.246SC*.THydrogen-bonded Turntrans47.335.5178.9-63.1178.4-170.7162.30114.3M188 R189M188-K191 PolarHBondContact O-N 2.99Å; R189-K191 PolarHBondContact O-N 3.27Å
192G68.8Low84.8Confident46 Ų4641.4 Ų41.447%0.47422%0.224SC..THydrogen-bonded Turntrans82.18.9176.200000115.8L190 G194L190-G192 PolarHBondContact O-N 3.43Å; G192-G194 PolarHBondContact O-N 3.37Å; G192-G194 VanDerWaalsContact O-N 3.17Å
193S68.3Low84.8Confident70 Ų7043.8 Ų43.849%0.4923%0.233SC..  trans-59.5-25.1171.968.50000112.3L190 N195L190-S193 WeakPolarHBondContact O-CB 3.36Å; L190-S193 PolarHBondContact O-N 3.43Å; L190-S193 PolarHBondContact O-OG 2.93Å; S193-N195 PolarHBondContact O-N 2.61Å
194G67.3Low84.7Confident18 Ų1844.1 Ų44.119%0.18624%0.235CC..  trans61.114.3175.900000113.7G192G192-G194 PolarHBondContact O-N 3.37Å; G192-G194 VanDerWaalsContact O-N 3.17Å
195N78Confident84.7Confident72 Ų7248.8 Ų48.839%0.38526%0.259SS..  trans-97.6105.5176.9-170.60.6000109.3S193 E197 A198S193-N195 PolarHBondContact O-N 2.61Å; N195-E197 PolarHBondContact O-N 2.81Å; N195-E197 WeakPolarHBondContact OD1-CB 3.45Å; N195-E197 WeakPolarHBondContact OD1-CG 3.13Å; N195-E197 PolarHBondContact OD1-N 3.22Å; N195-E197 VanDerWaalsContact OD1-N 3.08Å; N195-A198 WeakPolarHBondContact O-CB 3.24Å; N195-A198 PolarHBondContact O-N 3.47Å
196L82.6Confident84.6Confident44 Ų4446.6 Ų46.623%0.2325%0.254CS..G310 helixtrans-66.5-23.1178.9-68.6155.7000112.3A198 I199 L394 C395 A398L196-A198 PolarHBondContact O-N 2.77Å; L196-A198 VanDerWaalsContact O-N 3.14Å; L196-I199 PolarHBondContact O-N 3.15Å; L196-L394 HydrophobicContact CD2-CB 3.72Å; L196-L394 WeakPolarHBondContact CD2-O 3.37Å; L196-C395 HydrophobicContact CD1-CB 4.29Å; L196-C395 WeakPolarHBondContact CD1-SG 3.23Å; L196-A398 HydrophobicContact CD2-CB 3.9Å; L196-A398 HydrophobicContact CG-CB 4.25Å
197E84.4Confident84.4Confident121 Ų12148.8 Ų48.857%0.56528%0.276SS*.G310 helixtrans-62.8-21.8178.5-62-175.9155.700112.3N195 I199 R322N195-E197 PolarHBondContact O-N 2.81Å; N195-E197 WeakPolarHBondContact OD1-CB 3.45Å; N195-E197 WeakPolarHBondContact OD1-CG 3.13Å; N195-E197 PolarHBondContact OD1-N 3.22Å; N195-E197 VanDerWaalsContact OD1-N 3.08Å; E197-I199 PolarHBondContact O-N 3.36Å; E197-R322 VanDerWaalsContact O-CZ 3.28Å; E197-R322 PolarHBondContact O-NE 2.79Å; E197-R322 PolarHBondContact O-NH2 3Å
198A86.6Confident84.4Confident3 Ų350.9 Ų50.93%0.02529%0.291CS..G310 helixtrans-69.9-20.1174.600000113.2L190 N195 L196 L325 A370 C371L190-A198 HydrophobicContact CD2-CB 3.55Å; N195-A198 WeakPolarHBondContact O-CB 3.24Å; N195-A198 PolarHBondContact O-N 3.47Å; L196-A198 PolarHBondContact O-N 2.77Å; L196-A198 VanDerWaalsContact O-N 3.14Å; A198-L325 HydrophobicContact CB-CD1 4.08Å; A198-A370 HydrophobicContact CB-CB 4.11Å; A198-A370 WeakPolarHBondContact O-CA 3.4Å; A198-A370 WeakPolarHBondContact O-CB 3.46Å; A198-C371 PolarHBondContact O-N 3.46Å
199I90.1Very high84.5Confident10 Ų1047.8 Ų47.85%0.05128%0.276CS..EExtended strand (participates in β ladder)trans-89.5115173-54.4-179.4000108.2A186 V187 L190 L196 E197 I373 L394A186-I199 HydrophobicContact CB-CD1 4.02Å; V187-I199 HydrophobicContact CG2-CD1 4.39Å; L190-I199 HydrophobicContact CD1-CD1 3.74Å; L190-I199 HydrophobicContact CD1-CG1 3.94Å; L190-I199 HydrophobicContact CD2-CG1 4.05Å; L190-I199 HydrophobicContact CG-CD1 4.31Å; L190-I199 HydrophobicContact CG-CG1 4.23Å; L196-I199 PolarHBondContact O-N 3.15Å; E197-I199 PolarHBondContact O-N 3.36Å; I199-I373 HydrophobicContact CG2-CD1 3.83Å; I199-I373 HydrophobicContact CG2-CG1 4.22Å; I199-L394 HydrophobicContact CD1-CD1 4.11Å; I199-L394 HydrophobicContact CD1-CD2 3.72Å; I199-L394 HydrophobicContact CD1-CG 4.4Å; I199-L394 HydrophobicContact CG2-CD1 3.99Å
200H90.6Very high84.8Confident41 Ų4147 Ų4719%0.1928%0.28CS..EExtended strand (participates in β ladder)trans-94.2122.7174.2-171.624.5000110.3I202 F218 R322 C371 T372 I373H200-I202 WeakPolarHBondContact NE2-CG1 3.39Å; H200-F218 HydrophobicContact CB-CE2 4.24Å; H200-R322 VanDerWaalsContact CG-NH1 3.27Å; H200-R322 PolarHBondContact ND1-NH1 2.84Å; H200-C371 PolarHBondContact N-O 3.36Å; H200-T372 HydrophobicContact CB-CG2 4.21Å; H200-T372 CarbonylContact O-C 3.58Å; H200-T372 VanDerWaalsContact O-CA 3.26Å; H200-T372 WeakPolarHBondContact O-CA 3.45Å; H200-T372 WeakPolarHBondContact O-CG2 3.32Å; H200-I373 PolarHBondContact O-N 3.26Å
201V92.8Very high85.3Confident27 Ų2750.8 Ų50.816%0.16430%0.3CS..EExtended strand (participates in β ladder)trans-98.1124170-174.20000108.9I373 L375 E387 L390V201-I373 WeakPolarHBondContact CA-O 3.36Å; V201-L375 HydrophobicContact CG1-CD1 3.43Å; V201-L375 VanDerWaalsContact CG1-CD1 3.43Å; V201-L375 HydrophobicContact CG1-CG 3.73Å; V201-E387 HydrophobicContact CG1-CG 4.17Å; V201-L390 HydrophobicContact CG2-CD2 4.4Å
202I92.3Very high86.3Confident7 Ų743.7 Ų43.74%0.03627%0.269CS..EExtended strand (participates in β ladder)trans-112121.9174.5-59.6-178.8000108.3H200 K204 L219 T372 I373 V374 L375H200-I202 WeakPolarHBondContact NE2-CG1 3.39Å; I202-K204 HydrophobicContact CG2-CD 4.17Å; I202-K204 HydrophobicContact CG2-CG 4Å; I202-L219 HydrophobicContact CD1-CB 4.02Å; I202-T372 HydrophobicContact CB-CG2 4.48Å; I202-T372 HydrophobicContact CD1-CG2 3.56Å; I202-T372 HydrophobicContact CG1-CG2 3.71Å; I202-I373 PolarHBondContact N-O 3.27Å; I202-V374 WeakPolarHBondContact O-CA 3.43Å; I202-L375 PolarHBondContact O-N 2.65Å
203K92.9Very high87.5Confident65 Ų6545.5 Ų45.528%0.28326%0.262SS..EExtended strand (participates in β ladder)trans-93121.6174.8-64.8179.6-68.3-166.70109.6L375 L383 D384 E387K203-L375 HydrophobicContact CG-CB 4.5Å; K203-L383 HydrophobicContact CB-CB 4.41Å; K203-L383 HydrophobicContact CB-CD1 4.31Å; K203-L383 HydrophobicContact CD-CB 4.08Å; K203-L383 HydrophobicContact CG-CB 4.34Å; K203-D384 IonicContact NZ-OD1 3.73Å; K203-D384 PolarHBondContact NZ-OD1 2.85Å; K203-E387 HydrophobicContact CD-CB 4.08Å; K203-E387 VanDerWaalsContact CD-OE2 3.23Å; K203-E387 WeakPolarHBondContact CD-OE2 3.36Å; K203-E387 WeakPolarHBondContact CE-OE2 3.26Å; K203-E387 IonicContact NZ-OE2 3.5Å; K203-E387 PolarHBondContact NZ-OE2 3.22Å
204K92Very high88.7Confident8 Ų843.1 Ų43.14%0.03524%0.244CC..EExtended strand (participates in β ladder)trans-125.3124.9172.6-64.4-60.6-171.5-172.60110I202 D221 I354 D357 L375 R376I202-K204 HydrophobicContact CG2-CD 4.17Å; I202-K204 HydrophobicContact CG2-CG 4Å; K204-D221 VanDerWaalsContact NZ-CG 3.31Å; K204-D221 IonicContact NZ-OD1 3.46Å; K204-D221 PolarHBondContact NZ-OD1 3.42Å; K204-D221 IonicContact NZ-OD2 3.24Å; K204-D221 PolarHBondContact NZ-OD2 3.04Å; K204-I354 HydrophobicContact CB-CG2 4.39Å; K204-I354 HydrophobicContact CG-CG2 4.24Å; K204-D357 HydrophobicContact CD-CB 4.25Å; K204-D357 VanDerWaalsContact CD-OD2 3.31Å; K204-D357 WeakPolarHBondContact CD-OD2 3.47Å; K204-D357 WeakPolarHBondContact CE-OD2 3.41Å; K204-D357 IonicContact NZ-OD2 3.78Å; K204-D357 PolarHBondContact NZ-OD2 2.84Å; K204-L375 PolarHBondContact N-O 3.45Å; K204-R376 VanDerWaalsContact CB-NH1 3.28Å; K204-R376 PolarHBondContact O-NH1 3.22Å
205L91.9Very high89.8Confident98 Ų9842.9 Ų42.951%0.51324%0.239SC..EExtended strand (participates in β ladder)trans-64.9148.2179-73.1163.6000112R376 Q380 L383L205-R376 PolarHBondContact O-NH1 2.9Å; L205-R376 PolarHBondContact O-NH2 3.38Å; L205-Q380 HydrophobicContact CD2-CB 4.29Å; L205-L383 HydrophobicContact CD2-CD1 3.65Å; L205-L383 HydrophobicContact CG-CD1 4Å
206G89.1Confident89.9Confident28 Ų2847.4 Ų47.429%0.28926%0.257SS..BIsolated β-bridgetrans98.2159.2178.600000113.7R376 G377G206-R376 VanDerWaalsContact C-NH2 3.35Å; G206-R376 PolarHBondContact O-NE 2.94Å; G206-R376 PolarHBondContact O-NH2 2.96Å; G206-R376 VanDerWaalsContact O-NH2 3.15Å; G206-G377 PolarHBondContact N-O 3.19Å; G206-G377 PolarHBondContact O-N 3.37Å
207G88.4Confident90Very high45 Ų4545.4 Ų45.446%0.46425%0.247SC..SBendtrans77.1-167.2-175.700000113.7
208S90.4Very high90.3Very high50 Ų5039.7 Ų39.735%0.3522%0.22SC..  trans-99.5159.9176.5177.60000111.1T210 D211 R376S208-T210 WeakPolarHBondContact CB-OG1 3.14Å; S208-T210 PolarHBondContact O-N 3.37Å; S208-T210 PolarHBondContact OG-N 3.15Å; S208-T210 PolarHBondContact OG-OG1 2.95Å; S208-D211 PolarHBondContact N-OD2 2.87Å; S208-D211 WeakPolarHBondContact O-CB 3.43Å; S208-D211 PolarHBondContact O-N 3.42Å; S208-D211 VanDerWaalsContact O-N 3.07Å; S208-R376 WeakPolarHBondContact O-CB 3.47Å
209L89.3Confident90.5Very high23 Ų2339.6 Ų39.612%0.1222%0.22CC..G310 helixtrans-58.8-31171.1-76.9165.8000112.4L171 L172 F179 D211 S212 R376 I382 A386L171-L209 HydrophobicContact CD2-CD1 3.62Å; L172-L209 HydrophobicContact CD2-CD1 4.39Å; L172-L209 HydrophobicContact CD2-CD2 4.2Å; F179-L209 HydrophobicContact CE2-CB 4.3Å; F179-L209 HydrophobicContact CZ-CB 4.37Å; F179-L209 HydrophobicContact CZ-CD2 4.4Å; F179-L209 WeakPolarHBondContact CZ-O 3.17Å; L209-D211 PolarHBondContact O-N 3.02Å; L209-S212 WeakPolarHBondContact O-CB 3.49Å; L209-S212 PolarHBondContact O-N 2.8Å; L209-S212 VanDerWaalsContact O-N 3.15Å; L209-S212 PolarHBondContact O-OG 3.43Å; L209-R376 WeakPolarHBondContact CA-O 3.09Å; L209-R376 WeakPolarHBondContact CD2-O 3.49Å; L209-I382 HydrophobicContact CD1-CG2 3.87Å; L209-I382 HydrophobicContact CD2-CG2 3.86Å; L209-I382 HydrophobicContact CG-CG2 4.03Å; L209-A386 HydrophobicContact CD2-CB 3.95Å
210T90.6Very high90.6Very high57 Ų5739.4 Ų39.435%0.3522%0.219SC..G310 helixtrans-63.9-22.6176.350.90000113.6H175 H178 S208 S212H175-T210 WeakPolarHBondContact CE1-CG2 3.23Å; H175-T210 WeakPolarHBondContact ND1-CG2 3.21Å; H178-T210 PolarHBondContact NE2-O 2.81Å; S208-T210 WeakPolarHBondContact CB-OG1 3.14Å; S208-T210 PolarHBondContact O-N 3.37Å; S208-T210 PolarHBondContact OG-N 3.15Å; S208-T210 PolarHBondContact OG-OG1 2.95Å; T210-S212 PolarHBondContact O-N 3.46Å
211D91.8Very high90.5Very high84 Ų8441 Ų4145%0.44923%0.229SC..G310 helixtrans-79.9-1.9179.4-51.8-23.4000111.6S208 L209 Y213 R376S208-D211 PolarHBondContact N-OD2 2.87Å; S208-D211 WeakPolarHBondContact O-CB 3.43Å; S208-D211 PolarHBondContact O-N 3.42Å; S208-D211 VanDerWaalsContact O-N 3.07Å; L209-D211 PolarHBondContact O-N 3.02Å; D211-Y213 WeakPolarHBondContact O-CD1 3.21Å; D211-R376 HydrophobicContact CB-CB 4.06Å; D211-R376 HydrophobicContact CB-CG 4.14Å
212S93.6Very high90.3Very high1 Ų141.8 Ų41.81%0.00723%0.23CC..  trans-69.7139.9173.7-53.20000110.4H178 L209 T210 V374 R376H178-S212 PolarHBondContact NE2-O 2.79Å; L209-S212 WeakPolarHBondContact O-CB 3.49Å; L209-S212 PolarHBondContact O-N 2.8Å; L209-S212 VanDerWaalsContact O-N 3.15Å; L209-S212 PolarHBondContact O-OG 3.43Å; T210-S212 PolarHBondContact O-N 3.46Å; S212-V374 CarbonylContact C-O 3.29Å; S212-V374 WeakPolarHBondContact CA-O 3.41Å; S212-V374 VanDerWaalsContact CB-O 3.23Å; S212-V374 WeakPolarHBondContact CB-O 3.39Å; S212-R376 PolarHBondContact OG-N 3.34Å
213Y94Very high90Very high84 Ų8448.6 Ų48.633%0.32926%0.259SS..EExtended strand (participates in β ladder)trans-149.4160.3-177.467.7-87.2000112.6D211 D215 I354 V374D211-Y213 WeakPolarHBondContact O-CD1 3.21Å; Y213-D215 HydrophobicContact CE2-CB 4.17Å; Y213-I354 VanDerWaalsContact OH-CD1 3.24Å; Y213-I354 WeakPolarHBondContact OH-CD1 3.47Å; Y213-V374 HydrophobicContact CD1-CB 4.4Å; Y213-V374 HydrophobicContact CE1-CB 4.1Å; Y213-V374 HydrophobicContact CE1-CG1 4.38Å; Y213-V374 HydrophobicContact CE1-CG2 4.38Å; Y213-V374 HydrophobicContact CE2-CG2 4.44Å; Y213-V374 PolarHBondContact N-O 3.26Å; Y213-V374 PolarHBondContact O-N 3.07Å
214L93.4Very high89.7Confident20 Ų2046.6 Ų46.611%0.10525%0.251CS..EExtended strand (participates in β ladder)trans-93.7117171.8173.667.9000107.6L182 N185 A186 C371 I373L182-L214 HydrophobicContact CD2-CB 3.69Å; N185-L214 HydrophobicContact CB-CD2 3.64Å; A186-L214 HydrophobicContact CB-CD1 4.06Å; A186-L214 HydrophobicContact CB-CD2 4.3Å; L214-C371 HydrophobicContact CD1-CB 3.8Å; L214-I373 HydrophobicContact CD1-CG1 3.69Å
215D90.8Very high89.2Confident13 Ų1347 Ų477%0.0726%0.257CS..  trans-70.2137.9178.8-167.971.4000110.6R189 Y213 G217 F218 L219 H361 T372R189-D215 PolarHBondContact NH1-O 3Å; Y213-D215 HydrophobicContact CE2-CB 4.17Å; D215-G217 PolarHBondContact O-N 3.42Å; D215-G217 VanDerWaalsContact OD2-CA 3.29Å; D215-G217 WeakPolarHBondContact OD2-CA 3.35Å; D215-G217 PolarHBondContact OD2-N 3.26Å; D215-F218 PolarHBondContact OD2-N 3.31Å; D215-L219 HydrophobicContact CB-CD1 3.98Å; D215-L219 HydrophobicContact CB-CG 4.32Å; D215-H361 IonicContact OD1-CD2 3.03Å; D215-H361 IonicContact OD1-NE2 3.59Å; D215-H361 PolarHBondContact OD1-NE2 3.43Å; D215-H361 IonicContact OD2-CD2 2.83Å; D215-H361 PolarHBondContact OD2-CD2 3.43Å; D215-H361 VanDerWaalsContact OD2-CD2 3.29Å; D215-H361 IonicContact OD2-NE2 2.9Å; D215-H361 PolarHBondContact OD2-NE2 2.9Å; D215-T372 WeakPolarHBondContact CB-O 3.32Å; D215-T372 PolarHBondContact N-O 3.02Å
216E80.4Confident88.8Confident167 Ų16747.1 Ų47.178%0.7826%0.262SS*.SBendtrans-72.6-11.7177.8-67.6-167.3164.700113.6
217G84.8Confident88.5Confident2 Ų253.2 Ų53.22%0.02129%0.288CS..SBendtrans-117.9-129.2175.300000111.7D215 F362D215-G217 PolarHBondContact O-N 3.42Å; D215-G217 VanDerWaalsContact OD2-CA 3.29Å; D215-G217 WeakPolarHBondContact OD2-CA 3.35Å; D215-G217 PolarHBondContact OD2-N 3.26Å; G217-F362 WeakPolarHBondContact CA-O 3.47Å
218F90.3Very high88.4Confident0 Ų051.7 Ų51.70%027%0.269CS..EExtended strand (participates in β ladder)trans-140.4135.6175.5-172.8-100.4000109.6H200 D215 L220 R322 L323 V326 F362 T372H200-F218 HydrophobicContact CB-CE2 4.24Å; D215-F218 PolarHBondContact OD2-N 3.31Å; F218-L220 HydrophobicContact CE1-CB 4.31Å; F218-L220 HydrophobicContact CE1-CD1 4.2Å; F218-R322 HydrophobicContact CE2-CB 3.58Å; F218-R322 HydrophobicContact CE2-CG 4.21Å; F218-R322 HydrophobicContact CZ-CB 3.54Å; F218-R322 HydrophobicContact CZ-CG 4.34Å; F218-L323 HydrophobicContact CD1-CD2 3.56Å; F218-L323 HydrophobicContact CD1-CG 4.16Å; F218-L323 HydrophobicContact CE1-CD2 3.75Å; F218-L323 HydrophobicContact CE1-CG 3.82Å; F218-V326 HydrophobicContact CB-CB 4.4Å; F218-V326 HydrophobicContact CB-CG1 3.84Å; F218-V326 HydrophobicContact CB-CG2 3.9Å; F218-V326 HydrophobicContact CD2-CG2 3.76Å; F218-V326 HydrophobicContact CG-CG2 3.94Å; F218-F362 HydrophobicContact CB-CB 4.33Å; F218-F362 HydrophobicContact CD1-CD2 4.34Å; F218-F362 PolarHBondContact N-O 3.01Å; F218-F362 VanDerWaalsContact N-O 3.11Å; F218-F362 WeakPolarHBondContact O-CD2 3.31Å; F218-F362 PolarHBondContact O-N 3.07Å; F218-T372 VanDerWaalsContact CD2-OG1 3.23Å; F218-T372 WeakPolarHBondContact CD2-OG1 3.46Å
219L91.7Very high88.1Confident1 Ų151.6 Ų51.61%0.00527%0.267CS..EExtended strand (participates in β ladder)trans-107.7134.4174.3-67.8162.6000109.5I202 D215 I354 L359 I360 H361 T372 V374I202-L219 HydrophobicContact CD1-CB 4.02Å; D215-L219 HydrophobicContact CB-CD1 3.98Å; D215-L219 HydrophobicContact CB-CG 4.32Å; L219-I354 HydrophobicContact CD1-CD1 3.94Å; L219-I354 HydrophobicContact CD2-CD1 4.5Å; L219-L359 HydrophobicContact CD2-CB 4.43Å; L219-I360 WeakPolarHBondContact CA-O 3.31Å; L219-H361 HydrophobicContact CD2-CB 3.65Å; L219-T372 HydrophobicContact CB-CG2 3.92Å; L219-T372 HydrophobicContact CD1-CG2 4.48Å; L219-T372 PolarHBondContact N-OG1 3.3Å; L219-T372 VanDerWaalsContact N-OG1 3.08Å; L219-T372 PolarHBondContact O-OG1 3.47Å; L219-V374 HydrophobicContact CD1-CG2 3.33Å
220L90.7Very high88Confident7 Ų756.9 Ų56.94%0.03729%0.289CS..EExtended strand (participates in β ladder)trans-119.6124.9176.7-174.272.7000110F218 K222 I312 L323 I360 F362F218-L220 HydrophobicContact CE1-CB 4.31Å; F218-L220 HydrophobicContact CE1-CD1 4.2Å; L220-K222 HydrophobicContact CD1-CG 4.42Å; L220-K222 HydrophobicContact CD2-CB 4.1Å; L220-K222 HydrophobicContact CD2-CG 4.03Å; L220-K222 HydrophobicContact CG-CB 4.16Å; L220-K222 HydrophobicContact CG-CG 3.91Å; L220-K222 PolarHBondContact O-N 2.86Å; L220-I312 HydrophobicContact CD2-CG2 3.76Å; L220-L323 HydrophobicContact CD1-CD1 4.43Å; L220-L323 HydrophobicContact CD2-CD1 4.18Å; L220-I360 HydrophobicContact CB-CB 4.46Å; L220-I360 PolarHBondContact N-O 3.41Å; L220-I360 PolarHBondContact O-N 3.14Å; L220-F362 HydrophobicContact CB-CE2 3.95Å; L220-F362 HydrophobicContact CD2-CE2 4.39Å
221D89Confident88.1Confident74 Ų7460.6 Ų60.640%0.39630%0.296SS..  trans-81.466.5177.5-158.62.9000111.8K204 L359K204-D221 VanDerWaalsContact NZ-CG 3.31Å; K204-D221 IonicContact NZ-OD1 3.46Å; K204-D221 PolarHBondContact NZ-OD1 3.42Å; K204-D221 IonicContact NZ-OD2 3.24Å; K204-D221 PolarHBondContact NZ-OD2 3.04Å; D221-L359 HydrophobicContact CB-CD2 3.58Å; D221-L359 VanDerWaalsContact CG-CD2 3.45Å; D221-L359 WeakPolarHBondContact OD1-CD2 3.38Å
222K89.6Confident88Confident44 Ų4457.7 Ų57.719%0.19128%0.281CS..  trans-143.1165.6177-62.4-661581640109.8L220 I312 H314 D316 I360L220-K222 HydrophobicContact CD1-CG 4.42Å; L220-K222 HydrophobicContact CD2-CB 4.1Å; L220-K222 HydrophobicContact CD2-CG 4.03Å; L220-K222 HydrophobicContact CG-CB 4.16Å; L220-K222 HydrophobicContact CG-CG 3.91Å; L220-K222 PolarHBondContact O-N 2.86Å; K222-I312 HydrophobicContact CB-CG2 4.16Å; K222-H314 WeakPolarHBondContact CE-O 3.45Å; K222-H314 PolarHBondContact NZ-O 3.01Å; K222-D316 IonicContact NZ-OD2 3.2Å; K222-D316 PolarHBondContact NZ-OD2 3.44Å; K222-I360 HydrophobicContact CB-CD1 4.42Å; K222-I360 WeakPolarHBondContact O-CD1 3.33Å; K222-I360 WeakPolarHBondContact O-CG1 3.48Å
223K85.9Confident87.9Confident149 Ų14963 Ų6365%0.64831%0.306SS*.  trans-105.5152.1177.7-63.7-177.7-179.7-179.90110.2
224I87Confident87.7Confident24 Ų2465.1 Ų65.112%0.12332%0.323CS..BIsolated β-bridgetrans-79.1147.1172.1-63.3161.1000108.6Q228 M310 E351 I360I224-Q228 HydrophobicContact CG2-CB 3.84Å; I224-M310 HydrophobicContact CD1-CE 3.8Å; I224-M310 HydrophobicContact CD1-SD 4.27Å; I224-M310 HydrophobicContact CG1-CE 4.32Å; I224-M310 HydrophobicContact CG1-CG 4.42Å; I224-M310 HydrophobicContact CG1-SD 4.2Å; I224-M310 HydrophobicContact CG2-CG 3.84Å; I224-E351 HydrophobicContact CD1-CB 4.06Å; I224-I360 HydrophobicContact CD1-CG1 4.36Å; I224-I360 HydrophobicContact CG1-CD1 3.7Å; I224-I360 HydrophobicContact CG1-CG1 3.97Å
225G80.4Confident87.6Confident15 Ų1564.3 Ų64.316%0.15532%0.318CS..PPolyproline II helixtrans-58.9161.1177.100000114.2Q228 E301 A311G225-Q228 PolarHBondContact O-N 3.48Å; G225-E301 WeakPolarHBondContact CA-OE1 3.46Å; G225-A311 PolarHBondContact N-O 3.41Å
226V83.4Confident87.7Confident102 Ų10268.2 Ų68.262%0.61834%0.335SS*.THydrogen-bonded Turntrans-68.3136.6-173.7-170.70000110.8Q228 E301V226-Q228 PolarHBondContact O-N 3.49Å; V226-E301 PolarHBondContact N-OE1 3.46Å
227N82.1Confident88.3Confident155 Ų15560.3 Ų60.383%0.82930%0.298SS*.THydrogen-bonded Turntrans59.923.7-179.6-63.9-32.1000115.6
228Q86.9Confident88.7Confident14 Ų1460.2 Ų60.27%0.06530%0.297CS..SBendtrans-97.4158.1175.3-68.4172.43.900111.5I224 G225 V226 K230 A305 A311I224-Q228 HydrophobicContact CG2-CB 3.84Å; G225-Q228 PolarHBondContact O-N 3.48Å; V226-Q228 PolarHBondContact O-N 3.49Å; Q228-K230 PolarHBondContact O-N 2.88Å; Q228-A305 HydrophobicContact CG-CB 3.97Å; Q228-A311 PolarHBondContact OE1-O 3.08Å
229P85.4Confident88.8Confident47 Ų4760.3 Ų60.331%0.30530%0.297SS..  trans-62.4125.1177.925-33.6000110.3R231 L232 M310P229-R231 VanDerWaalsContact C-N 3.27Å; P229-R231 PolarHBondContact O-N 3.34Å; P229-L232 HydrophobicContact CB-CD2 4.05Å; P229-L232 HydrophobicContact CB-CG 4.44Å; P229-L232 HydrophobicContact CG-CD1 4.46Å; P229-L232 HydrophobicContact CG-CD2 3.75Å; P229-L232 HydrophobicContact CG-CG 4.15Å; P229-M310 WeakPolarHBondContact O-CE 3.38Å
230K87.3Confident88.9Confident135 Ų13560.3 Ų60.359%0.58730%0.297SS*.SBendtrans-76-14.5179.5-67.6-172.7168.1-132.10114.3Q228 E350 E351Q228-K230 PolarHBondContact O-N 2.88Å; K230-E350 WeakPolarHBondContact O-CA 3.44Å; K230-E351 WeakPolarHBondContact CD-OE2 3.27Å; K230-E351 WeakPolarHBondContact CE-OE2 3.47Å; K230-E351 IonicContact NZ-OE2 2.69Å; K230-E351 PolarHBondContact NZ-OE2 3.25Å; K230-E351 PolarHBondContact O-N 3.43Å
231R91.5Very high88.9Confident134 Ų13461.9 Ų61.951%0.50631%0.306SS..EExtended strand (participates in β ladder)trans-138.4130.8179.7178169.9163151.7-6109.6P229 E233 L348 I349 E350P229-R231 VanDerWaalsContact C-N 3.27Å; P229-R231 PolarHBondContact O-N 3.34Å; R231-E233 IonicContact CZ-OE1 2.71Å; R231-E233 IonicContact NE-OE1 3.99Å; R231-E233 IonicContact NH2-OE1 2.92Å; R231-E233 PolarHBondContact NH2-OE1 3.48Å; R231-L348 HydrophobicContact CG-CD1 3.83Å; R231-I349 CarbonylContact C-O 3.59Å; R231-I349 VanDerWaalsContact CA-O 3.27Å; R231-I349 WeakPolarHBondContact CA-O 3.29Å; R231-E350 HydrophobicContact CB-CB 4.35Å; R231-E350 HydrophobicContact CG-CB 4.23Å; R231-E350 IonicContact NH1-OE2 3.41Å; R231-E350 PolarHBondContact NH1-OE2 2.84Å
232L90.5Very high88.9Confident23 Ų2359 Ų5912%0.1229%0.291CS..EExtended strand (participates in β ladder)trans-132.5134.6177.9-72.9176.9000110.5P229 V235 N288 C289 M310 L348 I349P229-L232 HydrophobicContact CB-CD2 4.05Å; P229-L232 HydrophobicContact CB-CG 4.44Å; P229-L232 HydrophobicContact CG-CD1 4.46Å; P229-L232 HydrophobicContact CG-CD2 3.75Å; P229-L232 HydrophobicContact CG-CG 4.15Å; L232-V235 HydrophobicContact CB-CG2 3.53Å; L232-V235 HydrophobicContact CD1-CG1 4.34Å; L232-V235 WeakPolarHBondContact O-CG2 3.46Å; L232-N288 WeakPolarHBondContact CD1-O 3.39Å; L232-C289 HydrophobicContact CD1-CB 4.5Å; L232-M310 HydrophobicContact CB-CE 4.48Å; L232-M310 HydrophobicContact CD1-CB 3.53Å; L232-M310 HydrophobicContact CD1-CE 3.69Å; L232-M310 HydrophobicContact CD1-CG 4.4Å; L232-M310 HydrophobicContact CD1-SD 4.08Å; L232-M310 HydrophobicContact CG-CE 3.86Å; L232-L348 CarbonylContact O-C 3.58Å; L232-L348 WeakPolarHBondContact O-CA 3.26Å; L232-I349 PolarHBondContact N-O 3.26Å; L232-I349 PolarHBondContact O-N 2.87Å
233E91.5Very high88.8Confident114 Ų11458.1 Ų58.153%0.53329%0.294SS..EExtended strand (participates in β ladder)trans-108146176.4-65.3-177.5178.600110.7R231 K347 L348R231-E233 IonicContact CZ-OE1 2.71Å; R231-E233 IonicContact NE-OE1 3.99Å; R231-E233 IonicContact NH2-OE1 2.92Å; R231-E233 PolarHBondContact NH2-OE1 3.48Å; E233-K347 CarbonylContact C-O 3.59Å; E233-K347 WeakPolarHBondContact CA-O 3.48Å; E233-L348 HydrophobicContact CG-CD1 3.79Å
234N89.7Confident88.8Confident128 Ų12851 Ų5168%0.68426%0.263SS*.EExtended strand (participates in β ladder)trans48.460.3-177.7-64.1-54.9000113.2C346 K347N234-C346 CarbonylContact C-O 3.55Å; N234-K347 PolarHBondContact N-O 2.74Å
235V90.2Very high88.5Confident2 Ų252.5 Ų52.51%0.01227%0.271CS..EExtended strand (participates in β ladder)trans-83.3131-168.6-163.90000111.8L232 I237 N288 C289 R345 C346 I349L232-V235 HydrophobicContact CB-CG2 3.53Å; L232-V235 HydrophobicContact CD1-CG1 4.34Å; L232-V235 WeakPolarHBondContact O-CG2 3.46Å; V235-I237 HydrophobicContact CB-CG1 4.32Å; V235-I237 HydrophobicContact CG1-CG1 3.87Å; V235-N288 HydrophobicContact CG1-CB 3.88Å; V235-C289 HydrophobicContact CG1-CB 3.45Å; V235-C289 VanDerWaalsContact CG1-CB 3.45Å; V235-R345 WeakPolarHBondContact O-CA 3.49Å; V235-C346 PolarHBondContact N-O 3.46Å; V235-C346 PolarHBondContact O-N 2.84Å; V235-C346 VanDerWaalsContact O-N 3.11Å; V235-I349 HydrophobicContact CB-CD1 3.94Å; V235-I349 HydrophobicContact CB-CG1 4.27Å; V235-I349 HydrophobicContact CG1-CD1 3.68Å; V235-I349 HydrophobicContact CG2-CB 4.31Å; V235-I349 HydrophobicContact CG2-CD1 3.89Å; V235-I349 HydrophobicContact CG2-CG1 3.79Å
236K92.7Very high88Confident96 Ų9655 Ų5542%0.41728%0.283SS..EExtended strand (participates in β ladder)trans-94.7118.8162.5-65.3177.5-174.7174.80109.3G286 N288 C289K236-G286 WeakPolarHBondContact CD-O 3.42Å; K236-N288 PolarHBondContact O-N 2.8Å; K236-C289 PolarHBondContact O-N 3.22Å; K236-C289 VanDerWaalsContact O-N 3.11Å
237I93Very high87.2Confident0 Ų053 Ų530%027%0.269CS..EExtended strand (participates in β ladder)trans-108.4128.4-171.9-55.1168.5000108.8V235 I239 C289 I291 T327 G344 C346 I349 F362V235-I237 HydrophobicContact CB-CG1 4.32Å; V235-I237 HydrophobicContact CG1-CG1 3.87Å; I237-I239 HydrophobicContact CG2-CG1 4Å; I237-C289 WeakPolarHBondContact CA-O 3.35Å; I237-C289 HydrophobicContact CG1-CB 4.17Å; I237-I291 HydrophobicContact CG2-CD1 3.55Å; I237-I291 HydrophobicContact CG2-CG1 3.84Å; I237-T327 HydrophobicContact CD1-CG2 3.57Å; I237-G344 PolarHBondContact N-O 3.04Å; I237-G344 PolarHBondContact O-N 3.44Å; I237-C346 HydrophobicContact CD1-CB 3.7Å; I237-I349 HydrophobicContact CD1-CD1 3.96Å; I237-I349 HydrophobicContact CG1-CD1 4.18Å; I237-F362 HydrophobicContact CD1-CD1 4.12Å; I237-F362 HydrophobicContact CD1-CE1 4.1Å
238L93.6Very high86.4Confident1 Ų153.6 Ų53.61%0.00527%0.265CS..EExtended strand (participates in β ladder)trans-103.7121.9166.1-17967.7000109.3I282 I287 C289 F290 I291 F335 V341 L343L238-I282 HydrophobicContact CD2-CG2 3.82Å; L238-I287 HydrophobicContact CB-CB 4.49Å; L238-I287 HydrophobicContact CB-CD1 3.72Å; L238-I287 HydrophobicContact CB-CG2 3.92Å; L238-I287 HydrophobicContact CD2-CD1 4Å; L238-C289 PolarHBondContact N-O 3.41Å; L238-F290 HydrophobicContact CB-CD2 4.28Å; L238-F290 HydrophobicContact CD2-CD2 3.95Å; L238-F290 HydrophobicContact CD2-CE2 4.02Å; L238-F290 HydrophobicContact CG-CD2 4.28Å; L238-F290 HydrophobicContact CG-CE2 4.46Å; L238-I291 PolarHBondContact O-N 2.84Å; L238-F335 HydrophobicContact CD2-CD1 3.96Å; L238-F335 HydrophobicContact CD2-CE1 3.88Å; L238-V341 HydrophobicContact CD1-CG1 3.56Å; L238-L343 HydrophobicContact CB-CD2 4.04Å; L238-L343 HydrophobicContact CD1-CD2 3.64Å; L238-L343 HydrophobicContact CG-CD2 4.43Å
239I93.6Very high85.4Confident2 Ų258 Ų581%0.0129%0.288CS..EExtended strand (participates in β ladder)trans-100.3123.2177.6-57.5177.7000107.9I237 V320 L323 A324 I331 T332I237-I239 HydrophobicContact CG2-CG1 4Å; I239-V320 HydrophobicContact CG2-CB 4.46Å; I239-V320 HydrophobicContact CG2-CG1 3.29Å; I239-L323 HydrophobicContact CD1-CB 3.95Å; I239-A324 HydrophobicContact CD1-CB 4.12Å; I239-I331 HydrophobicContact CG2-CG1 4.11Å; I239-T332 PolarHBondContact O-N 3.43Å; I239-T332 PolarHBondContact O-OG1 2.98Å
240A92.2Very high84.7Confident0 Ų065.5 Ų65.50%032%0.315CS..EExtended strand (participates in β ladder)trans-130.8150.7-170.800000113.9F290 I291 N292 R293 T332 F335A240-F290 HydrophobicContact CB-CE2 3.51Å; A240-F290 HydrophobicContact CB-CZ 3.77Å; A240-I291 PolarHBondContact N-O 3.36Å; A240-N292 WeakPolarHBondContact O-CA 3.23Å; A240-N292 PolarHBondContact O-OD1 3.2Å; A240-N292 VanDerWaalsContact O-OD1 3.13Å; A240-R293 PolarHBondContact O-N 3.01Å; A240-T332 CarbonylContact C-O 3.59Å; A240-T332 WeakPolarHBondContact CA-O 3.41Å; A240-F335 HydrophobicContact CB-CE1 3.96Å; A240-F335 HydrophobicContact CB-CZ 3.79Å
241N92Very high84Confident40 Ų4064.7 Ų64.721%0.21432%0.316CS..  trans-127.371.7167.9-178.916.5000109.5R293 Q294 I331 T332 S333N241-R293 HydrophobicContact CB-CB 4.33Å; N241-R293 PolarHBondContact ND2-NH1 3.07Å; N241-Q294 PolarHBondContact OD1-NE2 3.36Å; N241-I331 HydrophobicContact CB-CG2 4.05Å; N241-T332 PolarHBondContact N-O 3.43Å; N241-S333 PolarHBondContact O-OG 3.14Å
242T88.5Confident82.8Confident15 Ų1568.7 Ų68.79%0.09234%0.338CS..  trans-131.5149.5179.8-158.80000110.7M244 K278 N292 Q294 F335T242-M244 HydrophobicContact CG2-CG 3.96Å; T242-M244 HydrophobicContact CG2-SD 3.72Å; T242-K278 WeakPolarHBondContact OG1-CE 2.86Å; T242-K278 PolarHBondContact OG1-NZ 3.05Å; T242-N292 PolarHBondContact N-OD1 3.2Å; T242-N292 VanDerWaalsContact N-OD1 3.14Å; T242-N292 PolarHBondContact O-ND2 3.14Å; T242-N292 PolarHBondContact O-OD1 3Å; T242-N292 VanDerWaalsContact O-OD1 3.12Å; T242-Q294 WeakPolarHBondContact O-CB 3.39Å; T242-F335 HydrophobicContact CG2-CE2 3.6Å; T242-F335 HydrophobicContact CG2-CZ 3.67Å
243G87.1Confident81.7Confident24 Ų2471 Ų7125%0.24737%0.368CS..  trans-72.8129.5172.100000111.3K278G243-K278 PolarHBondContact O-NZ 3.42Å
244M86Confident80.8Confident1 Ų168.4 Ų68.41%0.00536%0.362CS..BIsolated β-bridgetrans-118.444.2177-64-62.5-65.800110.6T242 K278 V279 I282 F290 I296 Y297 P300 F304T242-M244 HydrophobicContact CG2-CG 3.96Å; T242-M244 HydrophobicContact CG2-SD 3.72Å; M244-K278 HydrophobicContact SD-CD 4.14Å; M244-V279 HydrophobicContact CE-CG2 3.72Å; M244-I282 HydrophobicContact CE-CD1 4.28Å; M244-I282 HydrophobicContact SD-CD1 4.25Å; M244-F290 HydrophobicContact CG-CE1 4.35Å; M244-I296 HydrophobicContact CB-CB 4.33Å; M244-I296 HydrophobicContact CB-CG1 4.18Å; M244-I296 HydrophobicContact CB-CG2 4.24Å; M244-I296 HydrophobicContact CG-CG1 4.34Å; M244-Y297 PolarHBondContact O-N 3.49Å; M244-P300 HydrophobicContact CE-CB 3.72Å; M244-P300 HydrophobicContact CE-CG 4.25Å; M244-F304 HydrophobicContact CE-CE2 3.85Å; M244-F304 HydrophobicContact CE-CZ 4.06Å
245D80.2Confident80Confident55 Ų5572.8 Ų72.829%0.29437%0.369SS..SBendtrans-123.2-101.3177.5173.124.5000108.8Y297D245-Y297 HydrophobicContact CB-CD2 3.43Å; D245-Y297 VanDerWaalsContact CB-CD2 3.43Å; D245-Y297 HydrophobicContact CB-CE2 3.57Å; D245-Y297 HydrophobicContact CB-CG 4.08Å; D245-Y297 WeakPolarHBondContact OD1-CD1 3.47Å; D245-Y297 WeakPolarHBondContact OD1-CE1 3.48Å; D245-Y297 WeakPolarHBondContact OD1-CE2 3.28Å
246T71.1Confident79.3Confident66 Ų6677.4 Ų77.441%0.40540%0.397SS..  trans-118.1126.2177.347.60000108.3K248T246-K248 PolarHBondContact O-N 3.48Å
247D65.9Low78.8Confident61 Ų6183.6 Ų83.633%0.32642%0.417SS..  trans-70.984.3173-87.8-16.4000108.6I249 K274 K278D247-I249 PolarHBondContact O-N 2.91Å; D247-K274 VanDerWaalsContact CB-NZ 3.27Å; D247-K274 WeakPolarHBondContact OD2-CE 3.48Å; D247-K274 IonicContact OD2-NZ 3.31Å; D247-K274 PolarHBondContact OD2-NZ 3.45Å; D247-K278 IonicContact OD1-NZ 3.55Å
248K64.6Low78.4Confident167 Ų16786.2 Ų86.273%0.72643%0.433SS*.  trans-59.5130.2175.5-68.6-176.6-176.4174.80109.3T246 K250T246-K248 PolarHBondContact O-N 3.48Å; K248-K250 PolarHBondContact O-N 3.07Å; K248-K250 VanDerWaalsContact O-N 3.14Å
249I67.9Low78Confident107 Ų10792.9 Ų92.955%0.54947%0.469SS..  trans-60.5119.1170.5-56.1174000106.8D247 I251D247-I249 PolarHBondContact O-N 2.91Å; I249-I251 HydrophobicContact CG2-CB 4.02Å; I249-I251 HydrophobicContact CG2-CD1 4.12Å; I249-I251 HydrophobicContact CG2-CG1 4.06Å; I249-I251 PolarHBondContact O-N 3.45Å
250K69.6Low77.8Confident205 Ų20595.4 Ų95.489%0.89149%0.486SS*.SBendtrans-66.8-2.8-175.9-67.4-173.8178.1-179.60114.1K248 F252K248-K250 PolarHBondContact O-N 3.07Å; K248-K250 VanDerWaalsContact O-N 3.14Å; K250-F252 PolarHBondContact O-N 2.91Å
251I73.3Confident77.6Confident118 Ų118101.4 Ų101.461%0.60552%0.524SS*.SBendtrans-82.4108.8177-56170.1000107.6I249 G253 S254I249-I251 HydrophobicContact CG2-CB 4.02Å; I249-I251 HydrophobicContact CG2-CD1 4.12Å; I249-I251 HydrophobicContact CG2-CG1 4.06Å; I249-I251 PolarHBondContact O-N 3.45Å; I251-G253 PolarHBondContact O-N 3.06Å; I251-S254 WeakPolarHBondContact CB-OG 3.22Å; I251-S254 WeakPolarHBondContact CG2-OG 3.48Å; I251-S254 WeakPolarHBondContact O-CB 3.35Å; I251-S254 PolarHBondContact O-N 2.75Å; I251-S254 PolarHBondContact O-OG 3.27Å
252F64.8Low77.4Confident217 Ų217102.3 Ų102.395%0.95254%0.536SS*.THydrogen-bonded Turntrans-57.5129177.8-96-87.9000110.9K250K250-F252 PolarHBondContact O-N 2.91Å
253G67.9Low77.3Confident73 Ų73105.6 Ų105.675%0.75355%0.549SS*.THydrogen-bonded Turntrans85.43.5177.600000115.3I251 R255I251-G253 PolarHBondContact O-N 3.06Å; G253-R255 PolarHBondContact O-N 3.48Å
254S72.8Confident77.3Confident58 Ų58108.1 Ų108.141%0.40656%0.56SS.*  trans-61.1111.6170.6-70.70000110.7I251I251-S254 WeakPolarHBondContact CB-OG 3.22Å; I251-S254 WeakPolarHBondContact CG2-OG 3.48Å; I251-S254 WeakPolarHBondContact O-CB 3.35Å; I251-S254 PolarHBondContact O-N 2.75Å; I251-S254 PolarHBondContact O-OG 3.27Å
255R73.5Confident77.3Confident220 Ų220110.2 Ų110.283%0.8358%0.577SS**  trans-112.1121.2173-74.5179.8159.4172.6-6.2108.4G253 R257G253-R255 PolarHBondContact O-N 3.48Å; R255-R257 PolarHBondContact O-N 3.35Å
256V76Confident77.7Confident99 Ų99113.7 Ų113.760%0.659%0.592SS**  trans-79.5112.3172.2-1740000107.6I267V256-I267 HydrophobicContact CG1-CD1 3.7Å
257R80.8Confident78.3Confident227 Ų227113.2 Ų113.286%0.85759%0.586SS**  trans-96129.3170.8-72.7-176178.4175.70.2108.2R255R255-R257 PolarHBondContact O-N 3.35Å
258V84.8Confident79.2Confident55 Ų55115 Ų11533%0.33359%0.593SS.*  trans-124.3136.6-177.2-108.30000109.6S260 K263 V264 I267V258-S260 VanDerWaalsContact C-N 3.32Å; V258-K263 HydrophobicContact CB-CB 4.19Å; V258-K263 HydrophobicContact CG1-CB 3.41Å; V258-K263 VanDerWaalsContact CG1-CB 3.41Å; V258-K263 HydrophobicContact CG1-CD 4.13Å; V258-K263 HydrophobicContact CG1-CG 4.43Å; V258-V264 HydrophobicContact CB-CG2 4.27Å; V258-V264 HydrophobicContact CG2-CG2 3.63Å; V258-I267 HydrophobicContact CG1-CD1 3.57Å; V258-I267 HydrophobicContact CG2-CD1 4.35Å
259D85.9Confident80.3Confident141 Ų141112.5 Ų112.575%0.75459%0.587SS**SBendtrans-78.4-16.1-173.4-46.6-53.3000113.2K263D259-K263 IonicContact OD2-NZ 3.49Å; D259-K263 PolarHBondContact OD2-NZ 3.38Å
260S89.8Confident81.2Confident54 Ų54110.3 Ų110.338%0.37859%0.585SS.*SBendtrans-152.3158.2-177.671.20000112.1V258 A262 K263V258-S260 VanDerWaalsContact C-N 3.32Å; S260-A262 VanDerWaalsContact C-N 3.26Å; S260-A262 PolarHBondContact O-N 2.97Å; S260-K263 PolarHBondContact O-N 3.24Å
261T86.9Confident81.9Confident127 Ų127105.7 Ų105.778%0.77957%0.566SS**Hα-helixtrans-64.1-29.3175.549.40000112.8K263 V264 A265T261-K263 PolarHBondContact O-N 3Å; T261-V264 WeakPolarHBondContact O-CB 3.49Å; T261-V264 PolarHBondContact O-N 3.27Å; T261-A265 PolarHBondContact O-N 3.48Å
262A88.6Confident82.6Confident58 Ų58104 Ų10448%0.47956%0.555SS.*Hα-helixtrans-62.3-42.2175.900000112.1S260 V264 A265 E266S260-A262 VanDerWaalsContact C-N 3.26Å; S260-A262 PolarHBondContact O-N 2.97Å; A262-V264 VanDerWaalsContact C-N 3.26Å; A262-V264 PolarHBondContact O-N 3.18Å; A262-A265 WeakPolarHBondContact O-CB 3.46Å; A262-A265 PolarHBondContact O-N 3.09Å; A262-A265 VanDerWaalsContact O-N 3.16Å; A262-E266 PolarHBondContact O-N 3.45Å; A262-E266 VanDerWaalsContact O-N 3.1Å
263K86.6Confident83.8Confident85 Ų8598 Ų9837%0.3753%0.529SS..Hα-helixtrans-66.2-28.2176.1-68.8-172.7178.5-1800112.7V258 D259 S260 T261 E266 I267V258-K263 HydrophobicContact CB-CB 4.19Å; V258-K263 HydrophobicContact CG1-CB 3.41Å; V258-K263 VanDerWaalsContact CG1-CB 3.41Å; V258-K263 HydrophobicContact CG1-CD 4.13Å; V258-K263 HydrophobicContact CG1-CG 4.43Å; D259-K263 IonicContact OD2-NZ 3.49Å; D259-K263 PolarHBondContact OD2-NZ 3.38Å; S260-K263 PolarHBondContact O-N 3.24Å; T261-K263 PolarHBondContact O-N 3Å; K263-E266 PolarHBondContact O-N 3.05Å; K263-I267 WeakPolarHBondContact O-CD1 3.25Å; K263-I267 VanDerWaalsContact O-CG1 3.28Å; K263-I267 WeakPolarHBondContact O-CG1 3.48Å; K263-I267 PolarHBondContact O-N 3.04Å
264V85.6Confident84.7Confident76 Ų7699 Ų9946%0.46151%0.513SS..Hα-helixtrans-63.8-44.3173.1-178.70000110.1V258 T261 A262 E266 I267 E268V258-V264 HydrophobicContact CB-CG2 4.27Å; V258-V264 HydrophobicContact CG2-CG2 3.63Å; T261-V264 WeakPolarHBondContact O-CB 3.49Å; T261-V264 PolarHBondContact O-N 3.27Å; A262-V264 VanDerWaalsContact C-N 3.26Å; A262-V264 PolarHBondContact O-N 3.18Å; V264-E266 VanDerWaalsContact C-N 3.35Å; V264-E266 PolarHBondContact O-N 3.39Å; V264-I267 PolarHBondContact O-N 2.93Å; V264-E268 PolarHBondContact O-N 3.1Å
265A87.1Confident85.5Confident46 Ų4696.8 Ų96.838%0.3850%0.496SS..Hα-helixtrans-65.1-37.2177.400000112.5T261 A262 E268 L269T261-A265 PolarHBondContact O-N 3.48Å; A262-A265 WeakPolarHBondContact O-CB 3.46Å; A262-A265 PolarHBondContact O-N 3.09Å; A262-A265 VanDerWaalsContact O-N 3.16Å; A265-E268 PolarHBondContact O-N 3.37Å; A265-L269 WeakPolarHBondContact O-CG 3.32Å; A265-L269 PolarHBondContact O-N 3.4Å
266E87.4Confident86.3Confident127 Ų12790.2 Ų90.259%0.59347%0.474SS*.Hα-helixtrans-62.4-41.5173.2-70.4173.5-177.300112.2A262 K263 V264 L269 A270A262-E266 PolarHBondContact O-N 3.45Å; A262-E266 VanDerWaalsContact O-N 3.1Å; K263-E266 PolarHBondContact O-N 3.05Å; V264-E266 VanDerWaalsContact C-N 3.35Å; V264-E266 PolarHBondContact O-N 3.39Å; E266-L269 PolarHBondContact O-N 3.26Å; E266-A270 WeakPolarHBondContact O-CB 3.46Å; E266-A270 PolarHBondContact O-N 3.13Å
267I85.3Confident87Confident56 Ų5690.1 Ų90.129%0.28747%0.467SS..Hα-helixtrans-63.8-44.1175.8-68.6161.7000110.6V256 V258 K263 V264 L269 A270 E271V256-I267 HydrophobicContact CG1-CD1 3.7Å; V258-I267 HydrophobicContact CG1-CD1 3.57Å; V258-I267 HydrophobicContact CG2-CD1 4.35Å; K263-I267 WeakPolarHBondContact O-CD1 3.25Å; K263-I267 VanDerWaalsContact O-CG1 3.28Å; K263-I267 WeakPolarHBondContact O-CG1 3.48Å; K263-I267 PolarHBondContact O-N 3.04Å; V264-I267 PolarHBondContact O-N 2.93Å; I267-L269 VanDerWaalsContact C-N 3.32Å; I267-L269 PolarHBondContact O-N 3.28Å; I267-A270 WeakPolarHBondContact O-CB 3.34Å; I267-A270 PolarHBondContact O-N 3.18Å; I267-A270 VanDerWaalsContact O-N 3.17Å; I267-E271 WeakPolarHBondContact O-CG 3.35Å; I267-E271 PolarHBondContact O-N 3.39Å
268E84.6Confident87.4Confident99 Ų9980 Ų8046%0.46343%0.429SS..Hα-helixtrans-61.1-41.7177.9-166.9-167.5149.600111.6V264 A265 E271 K272V264-E268 PolarHBondContact O-N 3.1Å; A265-E268 PolarHBondContact O-N 3.37Å; E268-E271 PolarHBondContact O-N 3.12Å; E268-K272 WeakPolarHBondContact O-CG 3.37Å; E268-K272 PolarHBondContact O-N 3.34Å; E268-K272 WeakPolarHBondContact OE1-CE 3.4Å; E268-K272 IonicContact OE1-NZ 3.81Å; E268-K272 PolarHBondContact OE1-NZ 2.85Å
269L87.7Confident87.7Confident115 Ų11577.3 Ų77.360%0.60241%0.413SS*.Hα-helixtrans-64.3-41.5174.3-76.2168000112A265 E266 I267 K272 Q273A265-L269 WeakPolarHBondContact O-CG 3.32Å; A265-L269 PolarHBondContact O-N 3.4Å; E266-L269 PolarHBondContact O-N 3.26Å; I267-L269 VanDerWaalsContact C-N 3.32Å; I267-L269 PolarHBondContact O-N 3.28Å; L269-K272 PolarHBondContact O-N 3.3Å; L269-Q273 WeakPolarHBondContact O-CB 3.49Å; L269-Q273 PolarHBondContact O-N 2.75Å
270A86.6Confident88Confident61 Ų6173.7 Ų73.750%0.50439%0.393SS..Hα-helixtrans-63.7-39.817700000112E266 I267 Q273 K274E266-A270 WeakPolarHBondContact O-CB 3.46Å; E266-A270 PolarHBondContact O-N 3.13Å; I267-A270 WeakPolarHBondContact O-CB 3.34Å; I267-A270 PolarHBondContact O-N 3.18Å; I267-A270 VanDerWaalsContact O-N 3.17Å; A270-Q273 PolarHBondContact O-N 2.77Å; A270-K274 WeakPolarHBondContact O-CB 3.46Å; A270-K274 PolarHBondContact O-N 3.34Å
271E84.6Confident88Confident107 Ų10775 Ų7550%0.539%0.39SS..Hα-helixtrans-64.6-43.9175.1-74.1-175.1165.800112I267 E268 K274 M275I267-E271 WeakPolarHBondContact O-CG 3.35Å; I267-E271 PolarHBondContact O-N 3.39Å; E268-E271 PolarHBondContact O-N 3.12Å; E271-K274 PolarHBondContact O-N 3.01Å; E271-M275 PolarHBondContact O-N 2.67Å
272K87.1Confident88.2Confident84 Ų8469 Ų6937%0.36535%0.353SS..Hα-helixtrans-60.4-45.8174-74176-173.2165.30111.4E268 L269 K274 M275 K276 Y299E268-K272 WeakPolarHBondContact O-CG 3.37Å; E268-K272 PolarHBondContact O-N 3.34Å; E268-K272 WeakPolarHBondContact OE1-CE 3.4Å; E268-K272 IonicContact OE1-NZ 3.81Å; E268-K272 PolarHBondContact OE1-NZ 2.85Å; L269-K272 PolarHBondContact O-N 3.3Å; K272-K274 VanDerWaalsContact C-N 3.35Å; K272-K274 PolarHBondContact O-N 3.2Å; K272-M275 PolarHBondContact O-N 2.75Å; K272-K276 PolarHBondContact O-N 3.48Å; K272-Y299 HydrophobicContact CB-CE1 4.05Å; K272-Y299 HydrophobicContact CG-CE1 4.37Å; K272-Y299 WeakPolarHBondContact O-CE1 3.31Å
273Q89.9Confident88.3Confident91 Ų9168.4 Ų68.443%0.42534%0.342SS..Hα-helixtrans-62.7-42179.1-176.958.726.300111.6L269 A270 M275 K276 E277L269-Q273 WeakPolarHBondContact O-CB 3.49Å; L269-Q273 PolarHBondContact O-N 2.75Å; A270-Q273 PolarHBondContact O-N 2.77Å; Q273-M275 VanDerWaalsContact C-N 3.33Å; Q273-M275 PolarHBondContact O-N 3.05Å; Q273-K276 WeakPolarHBondContact O-CB 3.09Å; Q273-K276 PolarHBondContact O-N 3.36Å; Q273-E277 PolarHBondContact NE2-OE1 2.84Å; Q273-E277 WeakPolarHBondContact O-CG 2.92Å; Q273-E277 PolarHBondContact O-N 2.89Å
274K87.5Confident88.5Confident94 Ų9472 Ų7241%0.40936%0.358SS..Hα-helixtrans-61.4-39.9175-171-175.1-178.1-164.30112.3D247 A270 E271 K272 E277 K278D247-K274 VanDerWaalsContact CB-NZ 3.27Å; D247-K274 WeakPolarHBondContact OD2-CE 3.48Å; D247-K274 IonicContact OD2-NZ 3.31Å; D247-K274 PolarHBondContact OD2-NZ 3.45Å; A270-K274 WeakPolarHBondContact O-CB 3.46Å; A270-K274 PolarHBondContact O-N 3.34Å; E271-K274 PolarHBondContact O-N 3.01Å; K272-K274 VanDerWaalsContact C-N 3.35Å; K272-K274 PolarHBondContact O-N 3.2Å; K274-E277 PolarHBondContact O-N 3.01Å; K274-K278 PolarHBondContact O-N 3.34Å
275M88.6Confident88.5Confident11 Ų1169.4 Ų69.45%0.05434%0.34CS..Hα-helixtrans-65.2-42.4173.3-87.8-57.194.700112.6E271 K272 Q273 E277 K278 V279 Y299 P300E271-M275 PolarHBondContact O-N 2.67Å; K272-M275 PolarHBondContact O-N 2.75Å; Q273-M275 VanDerWaalsContact C-N 3.33Å; Q273-M275 PolarHBondContact O-N 3.05Å; M275-E277 PolarHBondContact O-N 3.32Å; M275-K278 HydrophobicContact CE-CB 4.03Å; M275-K278 HydrophobicContact CE-CD 3.41Å; M275-K278 VanDerWaalsContact CE-CD 3.41Å; M275-K278 HydrophobicContact CE-CG 4.37Å; M275-K278 WeakPolarHBondContact O-CB 3.42Å; M275-K278 PolarHBondContact O-N 2.9Å; M275-K278 HydrophobicContact SD-CD 4.27Å; M275-V279 WeakPolarHBondContact O-CG2 3.37Å; M275-V279 PolarHBondContact O-N 3.34Å; M275-Y299 HydrophobicContact CB-CD1 4.28Å; M275-Y299 HydrophobicContact CB-CE1 4.34Å; M275-P300 HydrophobicContact SD-CG 4.3Å
276K91.3Very high88.6Confident82 Ų8269.1 Ų69.136%0.35734%0.342SS..Hα-helixtrans-58.8-47.1174.6-169.8-179.2177.7-1780111.7K272 Q273 K278 V279 D280 L303K272-K276 PolarHBondContact O-N 3.48Å; Q273-K276 WeakPolarHBondContact O-CB 3.09Å; Q273-K276 PolarHBondContact O-N 3.36Å; K276-K278 VanDerWaalsContact C-N 3.27Å; K276-K278 PolarHBondContact O-N 3.48Å; K276-V279 PolarHBondContact O-N 2.99Å; K276-V279 VanDerWaalsContact O-N 3.16Å; K276-D280 WeakPolarHBondContact O-CB 3.27Å; K276-D280 VanDerWaalsContact O-CG 3.24Å; K276-D280 PolarHBondContact O-N 3.04Å; K276-L303 HydrophobicContact CB-CD1 4.14Å; K276-L303 HydrophobicContact CG-CD1 4.09Å; K276-L303 HydrophobicContact CG-CD2 4.47Å
277E90.7Very high88.8Confident97 Ų9763.5 Ų63.545%0.45332%0.316SS..Hα-helixtrans-61.5-33.5176.5-72.9169.7-167.600113.2Q273 K274 M275 R281Q273-E277 PolarHBondContact NE2-OE1 2.84Å; Q273-E277 WeakPolarHBondContact O-CG 2.92Å; Q273-E277 PolarHBondContact O-N 2.89Å; K274-E277 PolarHBondContact O-N 3.01Å; M275-E277 PolarHBondContact O-N 3.32Å; E277-R281 WeakPolarHBondContact O-CB 3.37Å; E277-R281 WeakPolarHBondContact O-CG 3.23Å; E277-R281 PolarHBondContact O-N 3.24Å; E277-R281 PolarHBondContact O-NE 2.66Å
278K89.7Confident89.1Confident13 Ų1363.8 Ų63.86%0.05732%0.318CS..Hα-helixtrans-68.5-44.5174.4-170.1178.1-176.3175.40111.5T242 G243 M244 D247 K274 M275 K276 R281 I282T242-K278 WeakPolarHBondContact OG1-CE 2.86Å; T242-K278 PolarHBondContact OG1-NZ 3.05Å; G243-K278 PolarHBondContact O-NZ 3.42Å; M244-K278 HydrophobicContact SD-CD 4.14Å; D247-K278 IonicContact OD1-NZ 3.55Å; K274-K278 PolarHBondContact O-N 3.34Å; M275-K278 HydrophobicContact CE-CB 4.03Å; M275-K278 HydrophobicContact CE-CD 3.41Å; M275-K278 VanDerWaalsContact CE-CD 3.41Å; M275-K278 HydrophobicContact CE-CG 4.37Å; M275-K278 WeakPolarHBondContact O-CB 3.42Å; M275-K278 PolarHBondContact O-N 2.9Å; M275-K278 HydrophobicContact SD-CD 4.27Å; K276-K278 VanDerWaalsContact C-N 3.27Å; K276-K278 PolarHBondContact O-N 3.48Å; K278-R281 WeakPolarHBondContact O-CB 3.21Å; K278-R281 PolarHBondContact O-N 3.39Å; K278-I282 WeakPolarHBondContact O-CG1 3.31Å; K278-I282 PolarHBondContact O-N 2.71Å; K278-I282 VanDerWaalsContact O-N 3.17Å
279V90.8Very high89.5Confident0 Ų059.1 Ų59.10%030%0.296CS..Hα-helixtrans-63.4-44.6174.4175.10000110.6M244 M275 K276 R281 I282 L283 P300 L303 F304M244-V279 HydrophobicContact CE-CG2 3.72Å; M275-V279 WeakPolarHBondContact O-CG2 3.37Å; M275-V279 PolarHBondContact O-N 3.34Å; K276-V279 PolarHBondContact O-N 2.99Å; K276-V279 VanDerWaalsContact O-N 3.16Å; V279-R281 VanDerWaalsContact C-N 3.27Å; V279-R281 PolarHBondContact O-N 3.21Å; V279-I282 CarbonylContact O-C 3.6Å; V279-I282 WeakPolarHBondContact O-CA 3.41Å; V279-I282 WeakPolarHBondContact O-CB 3.27Å; V279-I282 PolarHBondContact O-N 2.94Å; V279-L283 HydrophobicContact CG1-CD1 3.95Å; V279-L283 HydrophobicContact CG1-CG 4.16Å; V279-L283 WeakPolarHBondContact O-CG 3.48Å; V279-L283 PolarHBondContact O-N 3.27Å; V279-P300 HydrophobicContact CG2-CB 4.05Å; V279-L303 HydrophobicContact CB-CB 4.46Å; V279-L303 HydrophobicContact CB-CD1 4.19Å; V279-L303 HydrophobicContact CG1-CB 3.87Å; V279-L303 HydrophobicContact CG1-CD1 4.47Å; V279-L303 HydrophobicContact CG2-CB 4.5Å; V279-L303 HydrophobicContact CG2-CD1 4.1Å; V279-F304 HydrophobicContact CG1-CD1 4.05Å; V279-F304 HydrophobicContact CG1-CE1 3.79Å; V279-F304 HydrophobicContact CG1-CZ 4.06Å; V279-F304 HydrophobicContact CG2-CE2 4.26Å; V279-F304 HydrophobicContact CG2-CZ 4.17Å
280D91.5Very high89.7Confident65 Ų6553.6 Ų53.635%0.34827%0.267SS..Hα-helixtrans-60.2-37.7177.3-69.7-21.2000111.7K276 I282 L283 K284K276-D280 WeakPolarHBondContact O-CB 3.27Å; K276-D280 VanDerWaalsContact O-CG 3.24Å; K276-D280 PolarHBondContact O-N 3.04Å; D280-I282 VanDerWaalsContact C-N 3.33Å; D280-I282 PolarHBondContact O-N 2.84Å; D280-L283 PolarHBondContact O-N 3.46Å; D280-K284 WeakPolarHBondContact O-CG 3.37Å; D280-K284 PolarHBondContact O-N 2.95Å; D280-K284 VanDerWaalsContact O-N 3.07Å
281R90.1Very high90.1Very high82 Ų8250.7 Ų50.731%0.30924%0.243SC..Hα-helixtrans-61.3-40.1171.8-81.9-175.7-72.6169.7-4112.4E277 K278 V279 H285 D336E277-R281 WeakPolarHBondContact O-CB 3.37Å; E277-R281 WeakPolarHBondContact O-CG 3.23Å; E277-R281 PolarHBondContact O-N 3.24Å; E277-R281 PolarHBondContact O-NE 2.66Å; K278-R281 WeakPolarHBondContact O-CB 3.21Å; K278-R281 PolarHBondContact O-N 3.39Å; V279-R281 VanDerWaalsContact C-N 3.27Å; V279-R281 PolarHBondContact O-N 3.21Å; R281-H285 PolarHBondContact O-CD2 3.47Å; R281-H285 PolarHBondContact O-NE2 3.49Å; R281-D336 IonicContact CZ-OD1 2.71Å; R281-D336 IonicContact NH1-OD1 2.64Å; R281-D336 PolarHBondContact NH1-OD1 3.02Å
282I90.8Very high90.5Very high0 Ų045.6 Ų45.60%022%0.22CC..Hα-helixtrans-67.8-42.9176.4-68.1164.3000110.8L238 M244 K278 V279 D280 K284 H285 I287 F290 F304 F335L238-I282 HydrophobicContact CD2-CG2 3.82Å; M244-I282 HydrophobicContact CE-CD1 4.28Å; M244-I282 HydrophobicContact SD-CD1 4.25Å; K278-I282 WeakPolarHBondContact O-CG1 3.31Å; K278-I282 PolarHBondContact O-N 2.71Å; K278-I282 VanDerWaalsContact O-N 3.17Å; V279-I282 CarbonylContact O-C 3.6Å; V279-I282 WeakPolarHBondContact O-CA 3.41Å; V279-I282 WeakPolarHBondContact O-CB 3.27Å; V279-I282 PolarHBondContact O-N 2.94Å; D280-I282 VanDerWaalsContact C-N 3.33Å; D280-I282 PolarHBondContact O-N 2.84Å; I282-K284 VanDerWaalsContact C-N 3.27Å; I282-K284 PolarHBondContact O-N 3.02Å; I282-H285 WeakPolarHBondContact O-CB 3.23Å; I282-H285 PolarHBondContact O-CD2 3.41Å; I282-H285 VanDerWaalsContact O-CD2 3.29Å; I282-H285 PolarHBondContact O-N 2.95Å; I282-H285 VanDerWaalsContact O-N 3.16Å; I282-I287 HydrophobicContact CG2-CD1 3.54Å; I282-F290 HydrophobicContact CD1-CE2 3.95Å; I282-F290 HydrophobicContact CD1-CZ 3.91Å; I282-F290 HydrophobicContact CG2-CD2 3.82Å; I282-F290 HydrophobicContact CG2-CE2 4.05Å; I282-F290 HydrophobicContact CG2-CG 4.44Å; I282-F304 HydrophobicContact CB-CE1 4.47Å; I282-F304 HydrophobicContact CD1-CZ 4.16Å; I282-F304 HydrophobicContact CG2-CE1 3.94Å; I282-F304 HydrophobicContact CG2-CZ 4.28Å; I282-F335 HydrophobicContact CD1-CD2 4.32Å; I282-F335 HydrophobicContact CD1-CE2 4.24Å; I282-F335 HydrophobicContact CD1-CZ 4.39Å; I282-F335 HydrophobicContact CG1-CB 4.35Å; I282-F335 HydrophobicContact CG1-CD1 3.97Å; I282-F335 HydrophobicContact CG1-CD2 4.01Å; I282-F335 HydrophobicContact CG1-CE1 4.29Å; I282-F335 HydrophobicContact CG1-CE2 4.34Å; I282-F335 HydrophobicContact CG1-CG 3.82Å; I282-F335 HydrophobicContact CG1-CZ 4.46Å
283L90.4Very high90.7Very high46 Ų4646.1 Ų46.124%0.24122%0.219CC..Hα-helixtrans-64.2-30.7179.3-66.9175.5000112.8V279 D280 H285 G286 F304 A307 V309V279-L283 HydrophobicContact CG1-CD1 3.95Å; V279-L283 HydrophobicContact CG1-CG 4.16Å; V279-L283 WeakPolarHBondContact O-CG 3.48Å; V279-L283 PolarHBondContact O-N 3.27Å; D280-L283 PolarHBondContact O-N 3.46Å; L283-H285 PolarHBondContact O-N 3.32Å; L283-H285 VanDerWaalsContact O-N 3.11Å; L283-G286 PolarHBondContact O-N 3.05Å; L283-F304 HydrophobicContact CD2-CD1 4.19Å; L283-F304 HydrophobicContact CD2-CE1 4.44Å; L283-A307 HydrophobicContact CD1-CB 3.67Å; L283-A307 HydrophobicContact CD2-CB 3.68Å; L283-A307 HydrophobicContact CG-CB 4.35Å; L283-V309 HydrophobicContact CD2-CB 4.3Å; L283-V309 HydrophobicContact CD2-CG2 3.54Å
284K90.8Very high90.7Very high161 Ų16145.7 Ų45.770%0.722%0.217SC*.THydrogen-bonded Turntrans-59.1-20.2174.6-76.9173.5-173.9179.60114.1D280 I282 G286D280-K284 WeakPolarHBondContact O-CG 3.37Å; D280-K284 PolarHBondContact O-N 2.95Å; D280-K284 VanDerWaalsContact O-N 3.07Å; I282-K284 VanDerWaalsContact C-N 3.27Å; I282-K284 PolarHBondContact O-N 3.02Å; K284-G286 PolarHBondContact O-N 3.42Å
285H87.1Confident90.8Very high20 Ų2045.5 Ų45.59%0.09322%0.22CC..THydrogen-bonded Turntrans-72-9.4174.9-65-100.9000112.8R281 I282 L283 I287 F335 P338R281-H285 PolarHBondContact O-CD2 3.47Å; R281-H285 PolarHBondContact O-NE2 3.49Å; I282-H285 WeakPolarHBondContact O-CB 3.23Å; I282-H285 PolarHBondContact O-CD2 3.41Å; I282-H285 VanDerWaalsContact O-CD2 3.29Å; I282-H285 PolarHBondContact O-N 2.95Å; I282-H285 VanDerWaalsContact O-N 3.16Å; L283-H285 PolarHBondContact O-N 3.32Å; L283-H285 VanDerWaalsContact O-N 3.11Å; H285-I287 HydrophobicContact CB-CG2 3.79Å; H285-F335 PolarHBondContact NE2-O 2.91Å; H285-F335 VanDerWaalsContact NE2-O 3.11Å; H285-P338 WeakPolarHBondContact CE1-CA 3.35Å; H285-P338 WeakPolarHBondContact ND1-CA 3.33Å
286G87.8Confident90.9Very high41 Ų4145.2 Ų45.242%0.42322%0.219SC..  trans66.744.9178.600000112.5K236 L283 K284K236-G286 WeakPolarHBondContact CD-O 3.42Å; L283-G286 PolarHBondContact O-N 3.05Å; K284-G286 PolarHBondContact O-N 3.42Å
287I91.4Very high90.8Very high9 Ų947.1 Ų47.15%0.04622%0.224CC..  trans-95.8154.2-176.162.4166.3000111.2L238 I282 H285 F290 V309 L343L238-I287 HydrophobicContact CB-CB 4.49Å; L238-I287 HydrophobicContact CB-CD1 3.72Å; L238-I287 HydrophobicContact CB-CG2 3.92Å; L238-I287 HydrophobicContact CD2-CD1 4Å; I282-I287 HydrophobicContact CG2-CD1 3.54Å; H285-I287 HydrophobicContact CB-CG2 3.79Å; I287-F290 HydrophobicContact CD1-CB 3.94Å; I287-F290 HydrophobicContact CD1-CD2 4.13Å; I287-F290 HydrophobicContact CD1-CG 4.48Å; I287-V309 HydrophobicContact CD1-CG1 4.44Å; I287-V309 HydrophobicContact CG1-CG1 4.42Å; I287-V309 WeakPolarHBondContact O-CG2 3.25Å; I287-L343 HydrophobicContact CG2-CD1 4.03Å; I287-L343 HydrophobicContact CG2-CD2 3.76Å
288N91.7Very high90.8Very high62 Ų6248.5 Ų48.533%0.33224%0.235SC..SBendtrans-109.9-24.6178-6653.2000111.5L232 V235 K236 M310L232-N288 WeakPolarHBondContact CD1-O 3.39Å; V235-N288 HydrophobicContact CG1-CB 3.88Å; K236-N288 PolarHBondContact O-N 2.8Å; N288-M310 PolarHBondContact O-N 2.88Å
289C92.9Very high90.8Very high0 Ų051.7 Ų51.70%025%0.247CC..EExtended strand (participates in β ladder)trans-134131.6176.41800000110.2L232 V235 K236 I237 L238 M310 I349L232-C289 HydrophobicContact CD1-CB 4.5Å; V235-C289 HydrophobicContact CG1-CB 3.45Å; V235-C289 VanDerWaalsContact CG1-CB 3.45Å; K236-C289 PolarHBondContact O-N 3.22Å; K236-C289 VanDerWaalsContact O-N 3.11Å; I237-C289 WeakPolarHBondContact CA-O 3.35Å; I237-C289 HydrophobicContact CG1-CB 4.17Å; L238-C289 PolarHBondContact N-O 3.41Å; C289-M310 CarbonylContact C-O 3.6Å; C289-M310 VanDerWaalsContact CA-O 3.3Å; C289-M310 WeakPolarHBondContact CA-O 3.36Å; C289-M310 HydrophobicContact CB-CB 4.44Å; C289-I349 HydrophobicContact CB-CD1 4.08Å
290F93.4Very high90.8Very high0 Ų051.9 Ų51.90%025%0.249CC..EExtended strand (participates in β ladder)trans-114.2118.5175.4179.2-112.7000108.9L238 A240 M244 I282 I287 N292 I296 F304 V309 M310 A311 I312L238-F290 HydrophobicContact CB-CD2 4.28Å; L238-F290 HydrophobicContact CD2-CD2 3.95Å; L238-F290 HydrophobicContact CD2-CE2 4.02Å; L238-F290 HydrophobicContact CG-CD2 4.28Å; L238-F290 HydrophobicContact CG-CE2 4.46Å; A240-F290 HydrophobicContact CB-CE2 3.51Å; A240-F290 HydrophobicContact CB-CZ 3.77Å; M244-F290 HydrophobicContact CG-CE1 4.35Å; I282-F290 HydrophobicContact CD1-CE2 3.95Å; I282-F290 HydrophobicContact CD1-CZ 3.91Å; I282-F290 HydrophobicContact CG2-CD2 3.82Å; I282-F290 HydrophobicContact CG2-CE2 4.05Å; I282-F290 HydrophobicContact CG2-CG 4.44Å; I287-F290 HydrophobicContact CD1-CB 3.94Å; I287-F290 HydrophobicContact CD1-CD2 4.13Å; I287-F290 HydrophobicContact CD1-CG 4.48Å; F290-N292 HydrophobicContact CD1-CB 4.5Å; F290-N292 HydrophobicContact CE1-CB 3.75Å; F290-N292 HydrophobicContact CZ-CB 4.03Å; F290-I296 HydrophobicContact CD1-CD1 3.83Å; F290-I296 HydrophobicContact CE1-CD1 3.82Å; F290-F304 HydrophobicContact CB-CE1 4.39Å; F290-F304 HydrophobicContact CD1-CE1 4.23Å; F290-F304 AromaticContact CD1-CE2 3.76Å; F290-F304 HydrophobicContact CD1-CE2 3.76Å; F290-F304 AromaticContact CD1-CZ 3.6Å; F290-F304 HydrophobicContact CD1-CZ 3.6Å; F290-F304 AromaticContact CE1-CE2 3.99Å; F290-F304 HydrophobicContact CE1-CE2 3.99Å; F290-F304 AromaticContact CE1-CZ 3.85Å; F290-F304 HydrophobicContact CE1-CZ 3.85Å; F290-F304 HydrophobicContact CG-CE1 4.27Å; F290-F304 HydrophobicContact CG-CZ 4.03Å; F290-F304 HydrophobicContact CZ-CZ 4.49Å; F290-V309 HydrophobicContact CB-CG1 4.18Å; F290-M310 PolarHBondContact N-O 2.89Å; F290-A311 CarbonylContact O-C 3.57Å; F290-A311 WeakPolarHBondContact O-CA 3.39Å; F290-I312 PolarHBondContact O-N 2.91Å
291I93.6Very high90.7Very high0 Ų050.3 Ų50.30%024%0.239CC..EExtended strand (participates in β ladder)trans-113.3121.2178.1-51.7-177000107.8I237 L238 A240 I312 A315 L323 F362I237-I291 HydrophobicContact CG2-CD1 3.55Å; I237-I291 HydrophobicContact CG2-CG1 3.84Å; L238-I291 PolarHBondContact O-N 2.84Å; A240-I291 PolarHBondContact N-O 3.36Å; I291-I312 WeakPolarHBondContact CA-O 3.07Å; I291-I312 HydrophobicContact CD1-CD1 4.19Å; I291-I312 HydrophobicContact CG1-CB 4.23Å; I291-I312 HydrophobicContact CG1-CD1 4.11Å; I291-I312 HydrophobicContact CG2-CB 4.3Å; I291-I312 HydrophobicContact CG2-CG2 4.41Å; I291-A315 HydrophobicContact CG2-CB 4.02Å; I291-L323 HydrophobicContact CD1-CD1 3.85Å; I291-L323 HydrophobicContact CD1-CD2 4.4Å; I291-L323 HydrophobicContact CG2-CD1 3.92Å; I291-F362 HydrophobicContact CD1-CE1 3.89Å; I291-F362 HydrophobicContact CD1-CZ 3.86Å
292N92.6Very high90.8Very high0 Ų051.4 Ų51.40%025%0.248CC..EExtended strand (participates in β ladder)trans-117138.4179.1-166.331.2000111.2A240 T242 F290 Q294 I296 I312 E313 H314 A315A240-N292 WeakPolarHBondContact O-CA 3.23Å; A240-N292 PolarHBondContact O-OD1 3.2Å; A240-N292 VanDerWaalsContact O-OD1 3.13Å; T242-N292 PolarHBondContact N-OD1 3.2Å; T242-N292 VanDerWaalsContact N-OD1 3.14Å; T242-N292 PolarHBondContact O-ND2 3.14Å; T242-N292 PolarHBondContact O-OD1 3Å; T242-N292 VanDerWaalsContact O-OD1 3.12Å; F290-N292 HydrophobicContact CD1-CB 4.5Å; F290-N292 HydrophobicContact CE1-CB 3.75Å; F290-N292 HydrophobicContact CZ-CB 4.03Å; N292-Q294 VanDerWaalsContact C-N 3.3Å; N292-Q294 PolarHBondContact ND2-O 3.05Å; N292-I296 HydrophobicContact CB-CD1 4Å; N292-I296 HydrophobicContact CB-CG1 4.1Å; N292-I312 PolarHBondContact N-O 2.61Å; N292-E313 CarbonylContact O-C 3.59Å; N292-H314 PolarHBondContact O-N 2.98Å; N292-H314 VanDerWaalsContact O-N 3.17Å; N292-A315 PolarHBondContact O-N 3.04Å
293R91.1Very high90.8Very high95 Ų9552.3 Ų52.336%0.35825%0.252SS..SBendtrans-63-40.8170.7-175.1-174.7151.2-172.5-1.4111.8A240 N241 H314 A315 V320A240-R293 PolarHBondContact O-N 3.01Å; N241-R293 HydrophobicContact CB-CB 4.33Å; N241-R293 PolarHBondContact ND2-NH1 3.07Å; R293-H314 WeakPolarHBondContact O-CA 3.4Å; R293-A315 VanDerWaalsContact CA-O 3.28Å; R293-A315 WeakPolarHBondContact CA-O 3.5Å; R293-A315 WeakPolarHBondContact CG-O 3.34Å; R293-V320 HydrophobicContact CB-CG2 3.97Å; R293-V320 HydrophobicContact CG-CG2 4.34Å
294Q89.8Confident90.9Very high82 Ų8250.1 Ų50.138%0.38324%0.241SC..SBendtrans-87.9165.5-177.9-52.3-171.917.100110.4N241 T242 N292 H314N241-Q294 PolarHBondContact OD1-NE2 3.36Å; T242-Q294 WeakPolarHBondContact O-CB 3.39Å; N292-Q294 VanDerWaalsContact C-N 3.3Å; N292-Q294 PolarHBondContact ND2-O 3.05Å; Q294-H314 PolarHBondContact O-N 3.26Å
295L90.1Very high90.9Very high89 Ų8943.7 Ų43.747%0.46622%0.218SC..  trans-61.6149.8173.5-68.4157.5000110.6H314L295-H314 HydrophobicContact CD2-CB 3.88Å; L295-H314 HydrophobicContact CG-CB 4.42Å
296I90.3Very high91Very high5 Ų549.3 Ų49.33%0.02624%0.244CC..BIsolated β-bridgetrans-114.5112.3175-57.3176000106.9M244 F290 N292 P300 E301 F304 A311 E313M244-I296 HydrophobicContact CB-CB 4.33Å; M244-I296 HydrophobicContact CB-CG1 4.18Å; M244-I296 HydrophobicContact CB-CG2 4.24Å; M244-I296 HydrophobicContact CG-CG1 4.34Å; F290-I296 HydrophobicContact CD1-CD1 3.83Å; F290-I296 HydrophobicContact CE1-CD1 3.82Å; N292-I296 HydrophobicContact CB-CD1 4Å; N292-I296 HydrophobicContact CB-CG1 4.1Å; I296-P300 HydrophobicContact CG2-CB 3.94Å; I296-E301 HydrophobicContact CG2-CB 4.12Å; I296-F304 HydrophobicContact CG2-CD2 4.47Å; I296-F304 HydrophobicContact CG2-CE2 4.41Å; I296-A311 HydrophobicContact CD1-CB 3.94Å; I296-E313 HydrophobicContact CB-CB 4.02Å; I296-E313 HydrophobicContact CD1-CB 3.97Å; I296-E313 HydrophobicContact CG1-CB 3.75Å; I296-E313 PolarHBondContact N-OE2 3.43Å
297Y89.9Confident91.1Very high122 Ų12249.8 Ų49.848%0.47824%0.244SC..  trans-69.5160.5179.3-93.9-118.5000112.1M244 D245 Y299 P300 E301M244-Y297 PolarHBondContact O-N 3.49Å; D245-Y297 HydrophobicContact CB-CD2 3.43Å; D245-Y297 VanDerWaalsContact CB-CD2 3.43Å; D245-Y297 HydrophobicContact CB-CE2 3.57Å; D245-Y297 HydrophobicContact CB-CG 4.08Å; D245-Y297 WeakPolarHBondContact OD1-CD1 3.47Å; D245-Y297 WeakPolarHBondContact OD1-CE1 3.48Å; D245-Y297 WeakPolarHBondContact OD1-CE2 3.28Å; Y297-Y299 PolarHBondContact O-N 2.91Å; Y297-P300 WeakPolarHBondContact O-CD 3.45Å; Y297-E301 WeakPolarHBondContact O-CB 3.14Å; Y297-E301 PolarHBondContact O-N 2.84Å
298N90Very high91Very high127 Ų12751.4 Ų51.468%0.67926%0.263SS*.Hα-helixtrans-51.1-36.9-174.6-56.1-1.5000114.2Q302N298-Q302 WeakPolarHBondContact O-CB 3.38Å; N298-Q302 PolarHBondContact O-N 3.49Å
299Y89.8Confident90.9Very high80 Ų8048.8 Ų48.831%0.31425%0.249SC..Hα-helixtrans-71-53.6-177.5179.9-111000112.4K272 M275 Y297 E301 Q302 L303K272-Y299 HydrophobicContact CB-CE1 4.05Å; K272-Y299 HydrophobicContact CG-CE1 4.37Å; K272-Y299 WeakPolarHBondContact O-CE1 3.31Å; M275-Y299 HydrophobicContact CB-CD1 4.28Å; M275-Y299 HydrophobicContact CB-CE1 4.34Å; Y297-Y299 PolarHBondContact O-N 2.91Å; Y299-E301 VanDerWaalsContact C-N 3.31Å; Y299-E301 PolarHBondContact O-N 3.3Å; Y299-Q302 PolarHBondContact O-N 3.16Å; Y299-L303 HydrophobicContact CD1-CD1 4.41Å; Y299-L303 HydrophobicContact CE1-CD1 3.97Å; Y299-L303 WeakPolarHBondContact O-CG 3.41Å; Y299-L303 PolarHBondContact O-N 3.05Å
300P91.1Very high90.9Very high4 Ų448.8 Ų48.83%0.02625%0.249CC..Hα-helixtrans-55.5-40.8167.9-29.434.7000114.7M244 M275 V279 I296 Y297 Q302 L303 F304M244-P300 HydrophobicContact CE-CB 3.72Å; M244-P300 HydrophobicContact CE-CG 4.25Å; M275-P300 HydrophobicContact SD-CG 4.3Å; V279-P300 HydrophobicContact CG2-CB 4.05Å; I296-P300 HydrophobicContact CG2-CB 3.94Å; Y297-P300 WeakPolarHBondContact O-CD 3.45Å; P300-Q302 VanDerWaalsContact C-N 3.33Å; P300-Q302 PolarHBondContact O-N 3.04Å; P300-L303 WeakPolarHBondContact O-CB 3.37Å; P300-L303 PolarHBondContact O-N 2.85Å; P300-L303 VanDerWaalsContact O-N 3.14Å; P300-F304 HydrophobicContact CB-CE2 4.48Å; P300-F304 WeakPolarHBondContact O-CD2 3.49Å; P300-F304 PolarHBondContact O-N 3.46Å
301E90.7Very high90.8Very high31 Ų3149 Ų4915%0.14525%0.251CS..Hα-helixtrans-59.6-43.5178.5-169.3-170.7-17900111.7G225 V226 I296 Y297 Y299 L303 F304 A305G225-E301 WeakPolarHBondContact CA-OE1 3.46Å; V226-E301 PolarHBondContact N-OE1 3.46Å; I296-E301 HydrophobicContact CG2-CB 4.12Å; Y297-E301 WeakPolarHBondContact O-CB 3.14Å; Y297-E301 PolarHBondContact O-N 2.84Å; Y299-E301 VanDerWaalsContact C-N 3.31Å; Y299-E301 PolarHBondContact O-N 3.3Å; E301-L303 VanDerWaalsContact C-N 3.32Å; E301-L303 PolarHBondContact O-N 3.5Å; E301-F304 PolarHBondContact O-N 3.23Å; E301-A305 PolarHBondContact O-N 3.4Å
302Q90.9Very high90.7Very high106 Ų10649 Ų4950%0.49525%0.251SS..Hα-helixtrans-61-39.7175.1-174.3-177.11700112N298 Y299 P300 A305 Q306N298-Q302 WeakPolarHBondContact O-CB 3.38Å; N298-Q302 PolarHBondContact O-N 3.49Å; Y299-Q302 PolarHBondContact O-N 3.16Å; P300-Q302 VanDerWaalsContact C-N 3.33Å; P300-Q302 PolarHBondContact O-N 3.04Å; Q302-A305 PolarHBondContact O-N 3.01Å; Q302-Q306 WeakPolarHBondContact O-CG 3.27Å; Q302-Q306 PolarHBondContact O-N 3.41Å
303L92.2Very high90.7Very high18 Ų1852.4 Ų52.49%0.09427%0.267CS..Hα-helixtrans-66.2-40.3178-67.4173.1000111.7K276 V279 Y299 P300 E301 Q306 A307K276-L303 HydrophobicContact CB-CD1 4.14Å; K276-L303 HydrophobicContact CG-CD1 4.09Å; K276-L303 HydrophobicContact CG-CD2 4.47Å; V279-L303 HydrophobicContact CB-CB 4.46Å; V279-L303 HydrophobicContact CB-CD1 4.19Å; V279-L303 HydrophobicContact CG1-CB 3.87Å; V279-L303 HydrophobicContact CG1-CD1 4.47Å; V279-L303 HydrophobicContact CG2-CB 4.5Å; V279-L303 HydrophobicContact CG2-CD1 4.1Å; Y299-L303 HydrophobicContact CD1-CD1 4.41Å; Y299-L303 HydrophobicContact CE1-CD1 3.97Å; Y299-L303 WeakPolarHBondContact O-CG 3.41Å; Y299-L303 PolarHBondContact O-N 3.05Å; P300-L303 WeakPolarHBondContact O-CB 3.37Å; P300-L303 PolarHBondContact O-N 2.85Å; P300-L303 VanDerWaalsContact O-N 3.14Å; E301-L303 VanDerWaalsContact C-N 3.32Å; E301-L303 PolarHBondContact O-N 3.5Å; L303-Q306 PolarHBondContact O-N 3.32Å; L303-A307 PolarHBondContact O-N 3.46Å; L303-A307 VanDerWaalsContact O-N 3.09Å
304F91.8Very high90.5Very high0 Ų051.9 Ų51.90%027%0.268CS..Hα-helixtrans-64-42173.3-71.2-60.3000112.1M244 V279 I282 L283 F290 I296 P300 E301 Q306 A307 G308 V309 A311M244-F304 HydrophobicContact CE-CE2 3.85Å; M244-F304 HydrophobicContact CE-CZ 4.06Å; V279-F304 HydrophobicContact CG1-CD1 4.05Å; V279-F304 HydrophobicContact CG1-CE1 3.79Å; V279-F304 HydrophobicContact CG1-CZ 4.06Å; V279-F304 HydrophobicContact CG2-CE2 4.26Å; V279-F304 HydrophobicContact CG2-CZ 4.17Å; I282-F304 HydrophobicContact CB-CE1 4.47Å; I282-F304 HydrophobicContact CD1-CZ 4.16Å; I282-F304 HydrophobicContact CG2-CE1 3.94Å; I282-F304 HydrophobicContact CG2-CZ 4.28Å; L283-F304 HydrophobicContact CD2-CD1 4.19Å; L283-F304 HydrophobicContact CD2-CE1 4.44Å; F290-F304 HydrophobicContact CB-CE1 4.39Å; F290-F304 HydrophobicContact CD1-CE1 4.23Å; F290-F304 AromaticContact CD1-CE2 3.76Å; F290-F304 HydrophobicContact CD1-CE2 3.76Å; F290-F304 AromaticContact CD1-CZ 3.6Å; F290-F304 HydrophobicContact CD1-CZ 3.6Å; F290-F304 AromaticContact CE1-CE2 3.99Å; F290-F304 HydrophobicContact CE1-CE2 3.99Å; F290-F304 AromaticContact CE1-CZ 3.85Å; F290-F304 HydrophobicContact CE1-CZ 3.85Å; F290-F304 HydrophobicContact CG-CE1 4.27Å; F290-F304 HydrophobicContact CG-CZ 4.03Å; F290-F304 HydrophobicContact CZ-CZ 4.49Å; I296-F304 HydrophobicContact CG2-CD2 4.47Å; I296-F304 HydrophobicContact CG2-CE2 4.41Å; P300-F304 HydrophobicContact CB-CE2 4.48Å; P300-F304 WeakPolarHBondContact O-CD2 3.49Å; P300-F304 PolarHBondContact O-N 3.46Å; E301-F304 PolarHBondContact O-N 3.23Å; F304-Q306 PolarHBondContact O-N 3.12Å; F304-A307 CarbonylContact O-C 3.49Å; F304-A307 PolarHBondContact O-N 3Å; F304-G308 PolarHBondContact O-N 2.78Å; F304-G308 VanDerWaalsContact O-N 3.1Å; F304-V309 CarbonylContact C-O 3.51Å; F304-V309 HydrophobicContact CB-CB 4.49Å; F304-V309 HydrophobicContact CD1-CB 4.24Å; F304-V309 HydrophobicContact CD1-CG1 4.16Å; F304-V309 PolarHBondContact O-N 3.46Å; F304-A311 HydrophobicContact CB-CB 4.23Å; F304-A311 HydrophobicContact CD2-CB 4.08Å; F304-A311 HydrophobicContact CG-CB 4.31Å
305A90.1Very high90.3Very high26 Ų2648 Ų4822%0.21525%0.25CC..Hα-helixtrans-61.9-42176.300000112.2Q228 E301 Q302 A307 G308Q228-A305 HydrophobicContact CG-CB 3.97Å; E301-A305 PolarHBondContact O-N 3.4Å; Q302-A305 PolarHBondContact O-N 3.01Å; A305-A307 VanDerWaalsContact C-N 3.3Å; A305-A307 PolarHBondContact O-N 3.29Å; A305-G308 PolarHBondContact O-N 3.27Å; A305-G308 VanDerWaalsContact O-N 3.07Å
306Q90.5Very high89.9Confident138 Ų13848 Ų4865%0.64525%0.25SS*.Hα-helixtrans-63.3-34.6175.1-74.3175.99.300112.9Q302 L303 F304 G308Q302-Q306 WeakPolarHBondContact O-CG 3.27Å; Q302-Q306 PolarHBondContact O-N 3.41Å; L303-Q306 PolarHBondContact O-N 3.32Å; F304-Q306 PolarHBondContact O-N 3.12Å; Q306-G308 PolarHBondContact O-N 2.86Å
307A89.1Confident89.6Confident51 Ų5152.7 Ų52.742%0.42127%0.271SS..THydrogen-bonded Turntrans-79.2-5.1175.400000113.5L283 L303 F304 A305 V309L283-A307 HydrophobicContact CD1-CB 3.67Å; L283-A307 HydrophobicContact CD2-CB 3.68Å; L283-A307 HydrophobicContact CG-CB 4.35Å; L303-A307 PolarHBondContact O-N 3.46Å; L303-A307 VanDerWaalsContact O-N 3.09Å; F304-A307 CarbonylContact O-C 3.49Å; F304-A307 PolarHBondContact O-N 3Å; A305-A307 VanDerWaalsContact C-N 3.3Å; A305-A307 PolarHBondContact O-N 3.29Å; A307-V309 VanDerWaalsContact C-N 3.28Å; A307-V309 HydrophobicContact CB-CG2 4.27Å; A307-V309 PolarHBondContact O-N 2.65Å
308G88.6Confident89.5Confident43 Ų4348.5 Ų48.544%0.44326%0.262SS..THydrogen-bonded Turntrans7119.8-176.200000114.2F304 A305 Q306F304-G308 PolarHBondContact O-N 2.78Å; F304-G308 VanDerWaalsContact O-N 3.1Å; A305-G308 PolarHBondContact O-N 3.27Å; A305-G308 VanDerWaalsContact O-N 3.07Å; Q306-G308 PolarHBondContact O-N 2.86Å
309V91.1Very high89.3Confident7 Ų742.8 Ų42.84%0.04223%0.233CC..  trans-94130.4178.1177.10000109.4L283 I287 F290 F304 A307 A311L283-V309 HydrophobicContact CD2-CB 4.3Å; L283-V309 HydrophobicContact CD2-CG2 3.54Å; I287-V309 HydrophobicContact CD1-CG1 4.44Å; I287-V309 HydrophobicContact CG1-CG1 4.42Å; I287-V309 WeakPolarHBondContact O-CG2 3.25Å; F290-V309 HydrophobicContact CB-CG1 4.18Å; F304-V309 CarbonylContact C-O 3.51Å; F304-V309 HydrophobicContact CB-CB 4.49Å; F304-V309 HydrophobicContact CD1-CB 4.24Å; F304-V309 HydrophobicContact CD1-CG1 4.16Å; F304-V309 PolarHBondContact O-N 3.46Å; A307-V309 VanDerWaalsContact C-N 3.28Å; A307-V309 HydrophobicContact CB-CG2 4.27Å; A307-V309 PolarHBondContact O-N 2.65Å; V309-A311 PolarHBondContact O-N 3.45Å
310M91.8Very high89.3Confident0 Ų039 Ų390%022%0.218CC..EExtended strand (participates in β ladder)trans-73.6124.6173.5177.5-170.4-73.900109.5I224 P229 L232 N288 C289 F290 I312 I349I224-M310 HydrophobicContact CD1-CE 3.8Å; I224-M310 HydrophobicContact CD1-SD 4.27Å; I224-M310 HydrophobicContact CG1-CE 4.32Å; I224-M310 HydrophobicContact CG1-CG 4.42Å; I224-M310 HydrophobicContact CG1-SD 4.2Å; I224-M310 HydrophobicContact CG2-CG 3.84Å; P229-M310 WeakPolarHBondContact O-CE 3.38Å; L232-M310 HydrophobicContact CB-CE 4.48Å; L232-M310 HydrophobicContact CD1-CB 3.53Å; L232-M310 HydrophobicContact CD1-CE 3.69Å; L232-M310 HydrophobicContact CD1-CG 4.4Å; L232-M310 HydrophobicContact CD1-SD 4.08Å; L232-M310 HydrophobicContact CG-CE 3.86Å; N288-M310 PolarHBondContact O-N 2.88Å; C289-M310 CarbonylContact C-O 3.6Å; C289-M310 VanDerWaalsContact CA-O 3.3Å; C289-M310 WeakPolarHBondContact CA-O 3.36Å; C289-M310 HydrophobicContact CB-CB 4.44Å; F290-M310 PolarHBondContact N-O 2.89Å; M310-I312 HydrophobicContact CG-CG1 4.36Å; M310-I312 HydrophobicContact SD-CD1 4.24Å; M310-I312 HydrophobicContact SD-CG1 4.42Å; M310-I349 HydrophobicContact CE-CG2 4.1Å; M310-I349 HydrophobicContact SD-CG2 3.83Å
311A92.3Very high89.2Confident4 Ų442.1 Ų42.13%0.03323%0.232CC..EExtended strand (participates in β ladder)trans-108.3125.817500000109.8G225 Q228 F290 I296 F304 V309G225-A311 PolarHBondContact N-O 3.41Å; Q228-A311 PolarHBondContact OE1-O 3.08Å; F290-A311 CarbonylContact O-C 3.57Å; F290-A311 WeakPolarHBondContact O-CA 3.39Å; I296-A311 HydrophobicContact CD1-CB 3.94Å; F304-A311 HydrophobicContact CB-CB 4.23Å; F304-A311 HydrophobicContact CD2-CB 4.08Å; F304-A311 HydrophobicContact CG-CB 4.31Å; V309-A311 PolarHBondContact O-N 3.45Å
312I91.9Very high89.2Confident0 Ų042.4 Ų42.40%023%0.232CC..EExtended strand (participates in β ladder)trans-114.3117.9173.1-57.1173.8000106.8L220 K222 F290 I291 N292 M310 I360 F362L220-I312 HydrophobicContact CD2-CG2 3.76Å; K222-I312 HydrophobicContact CB-CG2 4.16Å; F290-I312 PolarHBondContact O-N 2.91Å; I291-I312 WeakPolarHBondContact CA-O 3.07Å; I291-I312 HydrophobicContact CD1-CD1 4.19Å; I291-I312 HydrophobicContact CG1-CB 4.23Å; I291-I312 HydrophobicContact CG1-CD1 4.11Å; I291-I312 HydrophobicContact CG2-CB 4.3Å; I291-I312 HydrophobicContact CG2-CG2 4.41Å; N292-I312 PolarHBondContact N-O 2.61Å; M310-I312 HydrophobicContact CG-CG1 4.36Å; M310-I312 HydrophobicContact SD-CD1 4.24Å; M310-I312 HydrophobicContact SD-CG1 4.42Å; I312-I360 HydrophobicContact CD1-CD1 3.64Å; I312-I360 HydrophobicContact CD1-CG2 4.24Å; I312-I360 HydrophobicContact CG1-CD1 3.87Å; I312-I360 HydrophobicContact CG2-CD1 4.1Å; I312-F362 HydrophobicContact CD1-CZ 3.82Å
313E90.8Very high89.2Confident72 Ų7237.4 Ų37.434%0.33621%0.209SC..  trans-101.7163.4-178.865.5167.3-179.800112.9N292 I296 A315N292-E313 CarbonylContact O-C 3.59Å; I296-E313 HydrophobicContact CB-CB 4.02Å; I296-E313 HydrophobicContact CD1-CB 3.97Å; I296-E313 HydrophobicContact CG1-CB 3.75Å; I296-E313 PolarHBondContact N-OE2 3.43Å; E313-A315 PolarHBondContact O-N 3.42Å; E313-A315 VanDerWaalsContact O-N 3.12Å
314H87.8Confident89.1Confident84 Ų8437.3 Ų37.339%0.38921%0.21SC..  trans52.938170.2-160.347.9000114.1K222 N292 R293 Q294 L295 D316K222-H314 WeakPolarHBondContact CE-O 3.45Å; K222-H314 PolarHBondContact NZ-O 3.01Å; N292-H314 PolarHBondContact O-N 2.98Å; N292-H314 VanDerWaalsContact O-N 3.17Å; R293-H314 WeakPolarHBondContact O-CA 3.4Å; Q294-H314 PolarHBondContact O-N 3.26Å; L295-H314 HydrophobicContact CD2-CB 3.88Å; L295-H314 HydrophobicContact CG-CB 4.42Å; H314-D316 PolarHBondContact O-N 2.93Å
315A84.8Confident88.9Confident0 Ų040.4 Ų40.40%023%0.227CC..  trans-69.1121.2166.300000108.1I291 N292 R293 E313 V320I291-A315 HydrophobicContact CG2-CB 4.02Å; N292-A315 PolarHBondContact O-N 3.04Å; R293-A315 VanDerWaalsContact CA-O 3.28Å; R293-A315 WeakPolarHBondContact CA-O 3.5Å; R293-A315 WeakPolarHBondContact CG-O 3.34Å; E313-A315 PolarHBondContact O-N 3.42Å; E313-A315 VanDerWaalsContact O-N 3.12Å; A315-V320 HydrophobicContact CB-CG2 3.54Å; A315-V320 WeakPolarHBondContact O-CG2 3.25Å
316D82.8Confident88.8Confident89 Ų8939.2 Ų39.248%0.47622%0.217SC..  trans-60.1160.2-179.8-63.6-56.5000111.1K222 H314 A318 G319 V320K222-D316 IonicContact NZ-OD2 3.2Å; K222-D316 PolarHBondContact NZ-OD2 3.44Å; H314-D316 PolarHBondContact O-N 2.93Å; D316-A318 VanDerWaalsContact C-N 3.3Å; D316-A318 PolarHBondContact O-N 3.26Å; D316-G319 CarbonylContact O-C 3.5Å; D316-G319 WeakPolarHBondContact O-CA 3.48Å; D316-G319 PolarHBondContact O-N 2.9Å; D316-V320 WeakPolarHBondContact O-CG2 3.37Å; D316-V320 PolarHBondContact O-N 3.02Å
317F84.8Confident88.8Confident104 Ų10432.8 Ų32.846%0.45619%0.187SC..Hα-helixtrans-51.6-49.2-175.8-176.1-97.4000112.3G319 V320 E321F317-G319 VanDerWaalsContact C-N 3.31Å; F317-G319 PolarHBondContact O-N 3.33Å; F317-V320 PolarHBondContact O-N 3.43Å; F317-E321 HydrophobicContact CE1-CG 4.23Å; F317-E321 WeakPolarHBondContact CE1-OE1 3.47Å; F317-E321 WeakPolarHBondContact CE1-OE2 3.37Å; F317-E321 HydrophobicContact CZ-CG 4.41Å; F317-E321 WeakPolarHBondContact CZ-OE1 3.43Å; F317-E321 PolarHBondContact O-N 2.74Å; F317-E321 VanDerWaalsContact O-N 3.07Å
318A85.9Confident88.7Confident34 Ų3430.9 Ų30.928%0.28117%0.172SC..Hα-helixtrans-62.6-35174.900000112.9D316 R322D316-A318 VanDerWaalsContact C-N 3.3Å; D316-A318 PolarHBondContact O-N 3.26Å; A318-R322 WeakPolarHBondContact O-CB 3.43Å; A318-R322 VanDerWaalsContact O-CD 3.31Å; A318-R322 WeakPolarHBondContact O-CD 3.34Å; A318-R322 WeakPolarHBondContact O-CG 3.29Å; A318-R322 PolarHBondContact O-N 3.06Å
319G86.9Confident88.8Confident7 Ų729.2 Ų29.27%0.07216%0.155CC..Hα-helixtrans-64.9-42176.400000112.4D316 F317 R322 L323D316-G319 CarbonylContact O-C 3.5Å; D316-G319 WeakPolarHBondContact O-CA 3.48Å; D316-G319 PolarHBondContact O-N 2.9Å; F317-G319 VanDerWaalsContact C-N 3.31Å; F317-G319 PolarHBondContact O-N 3.33Å; G319-R322 PolarHBondContact O-N 3.39Å; G319-L323 WeakPolarHBondContact O-CB 3.41Å; G319-L323 WeakPolarHBondContact O-CD1 3.31Å; G319-L323 VanDerWaalsContact O-CG 3.25Å; G319-L323 WeakPolarHBondContact O-CG 3.42Å; G319-L323 PolarHBondContact O-N 3.44Å
320V89.9Confident88.8Confident2 Ų234.1 Ų34.11%0.01218%0.178CC..Hα-helixtrans-67.6-41.9178.31770000111.3I239 R293 A315 D316 F317 L323 A324 I331I239-V320 HydrophobicContact CG2-CB 4.46Å; I239-V320 HydrophobicContact CG2-CG1 3.29Å; R293-V320 HydrophobicContact CB-CG2 3.97Å; R293-V320 HydrophobicContact CG-CG2 4.34Å; A315-V320 HydrophobicContact CB-CG2 3.54Å; A315-V320 WeakPolarHBondContact O-CG2 3.25Å; D316-V320 WeakPolarHBondContact O-CG2 3.37Å; D316-V320 PolarHBondContact O-N 3.02Å; F317-V320 PolarHBondContact O-N 3.43Å; V320-L323 PolarHBondContact O-N 2.85Å; V320-A324 PolarHBondContact O-N 3.44Å; V320-I331 HydrophobicContact CG1-CD1 3.74Å; V320-I331 HydrophobicContact CG1-CG1 3.85Å; V320-I331 HydrophobicContact CG1-CG2 3.99Å
321E89.6Confident88.8Confident69 Ų6936.8 Ų36.832%0.32219%0.191SC..Hα-helixtrans-64.1-44.5175-73-176.1152.500112.2F317 L323 A324 L325 I331F317-E321 HydrophobicContact CE1-CG 4.23Å; F317-E321 WeakPolarHBondContact CE1-OE1 3.47Å; F317-E321 WeakPolarHBondContact CE1-OE2 3.37Å; F317-E321 HydrophobicContact CZ-CG 4.41Å; F317-E321 WeakPolarHBondContact CZ-OE1 3.43Å; F317-E321 PolarHBondContact O-N 2.74Å; F317-E321 VanDerWaalsContact O-N 3.07Å; E321-L323 VanDerWaalsContact C-N 3.35Å; E321-L323 PolarHBondContact O-N 3.21Å; E321-A324 WeakPolarHBondContact O-CB 3.38Å; E321-A324 PolarHBondContact O-N 3.44Å; E321-L325 WeakPolarHBondContact O-CG 3.36Å; E321-L325 PolarHBondContact O-N 3.06Å; E321-I331 HydrophobicContact CG-CD1 3.82Å
322R89.9Confident88.7Confident37 Ų3737.2 Ų37.214%0.1419%0.193CC..Hα-helixtrans-60.1-45.3174-70.7163.4-175.1156.15.7111.5E197 H200 F218 A318 G319 A324 L325 V326 A370E197-R322 VanDerWaalsContact O-CZ 3.28Å; E197-R322 PolarHBondContact O-NE 2.79Å; E197-R322 PolarHBondContact O-NH2 3Å; H200-R322 VanDerWaalsContact CG-NH1 3.27Å; H200-R322 PolarHBondContact ND1-NH1 2.84Å; F218-R322 HydrophobicContact CE2-CB 3.58Å; F218-R322 HydrophobicContact CE2-CG 4.21Å; F218-R322 HydrophobicContact CZ-CB 3.54Å; F218-R322 HydrophobicContact CZ-CG 4.34Å; A318-R322 WeakPolarHBondContact O-CB 3.43Å; A318-R322 VanDerWaalsContact O-CD 3.31Å; A318-R322 WeakPolarHBondContact O-CD 3.34Å; A318-R322 WeakPolarHBondContact O-CG 3.29Å; A318-R322 PolarHBondContact O-N 3.06Å; G319-R322 PolarHBondContact O-N 3.39Å; R322-A324 VanDerWaalsContact C-N 3.26Å; R322-A324 PolarHBondContact O-N 3.3Å; R322-L325 PolarHBondContact O-N 2.86Å; R322-L325 VanDerWaalsContact O-N 3.12Å; R322-V326 WeakPolarHBondContact O-CB 3.44Å; R322-V326 VanDerWaalsContact O-CG2 3.24Å; R322-V326 WeakPolarHBondContact O-CG2 3.14Å; R322-V326 PolarHBondContact O-N 3.38Å; R322-A370 HydrophobicContact CB-CB 4.32Å
323L90.3Very high88.5Confident0 Ų040.3 Ų40.30%022%0.215CC..Hα-helixtrans-60.7-36.7176.8-76.3166.4000112.1F218 L220 I239 I291 G319 V320 E321 V326 T327 F362F218-L323 HydrophobicContact CD1-CD2 3.56Å; F218-L323 HydrophobicContact CD1-CG 4.16Å; F218-L323 HydrophobicContact CE1-CD2 3.75Å; F218-L323 HydrophobicContact CE1-CG 3.82Å; L220-L323 HydrophobicContact CD1-CD1 4.43Å; L220-L323 HydrophobicContact CD2-CD1 4.18Å; I239-L323 HydrophobicContact CD1-CB 3.95Å; I291-L323 HydrophobicContact CD1-CD1 3.85Å; I291-L323 HydrophobicContact CD1-CD2 4.4Å; I291-L323 HydrophobicContact CG2-CD1 3.92Å; G319-L323 WeakPolarHBondContact O-CB 3.41Å; G319-L323 WeakPolarHBondContact O-CD1 3.31Å; G319-L323 VanDerWaalsContact O-CG 3.25Å; G319-L323 WeakPolarHBondContact O-CG 3.42Å; G319-L323 PolarHBondContact O-N 3.44Å; V320-L323 PolarHBondContact O-N 2.85Å; E321-L323 VanDerWaalsContact C-N 3.35Å; E321-L323 PolarHBondContact O-N 3.21Å; L323-V326 PolarHBondContact O-N 2.93Å; L323-T327 VanDerWaalsContact O-CB 3.29Å; L323-T327 WeakPolarHBondContact O-CB 3.04Å; L323-T327 VanDerWaalsContact O-CG2 3.29Å; L323-T327 WeakPolarHBondContact O-CG2 3.42Å; L323-T327 PolarHBondContact O-N 3.1Å; L323-T327 PolarHBondContact O-OG1 3.13Å; L323-F362 HydrophobicContact CD2-CD1 4.36Å; L323-F362 HydrophobicContact CD2-CD2 4.21Å; L323-F362 HydrophobicContact CD2-CE1 4.07Å; L323-F362 HydrophobicContact CD2-CE2 3.92Å; L323-F362 HydrophobicContact CD2-CG 4.43Å; L323-F362 HydrophobicContact CD2-CZ 3.85Å
324A90.4Very high88.2Confident16 Ų1641.3 Ų41.313%0.13223%0.227CC..Hα-helixtrans-62.2-45.6173.900000111.3I239 V320 E321 R322 G328 G329 I331I239-A324 HydrophobicContact CD1-CB 4.12Å; V320-A324 PolarHBondContact O-N 3.44Å; E321-A324 WeakPolarHBondContact O-CB 3.38Å; E321-A324 PolarHBondContact O-N 3.44Å; R322-A324 VanDerWaalsContact C-N 3.26Å; R322-A324 PolarHBondContact O-N 3.3Å; A324-G328 CarbonylContact O-C 3.57Å; A324-G328 WeakPolarHBondContact O-CA 3.49Å; A324-G328 PolarHBondContact O-N 3.37Å; A324-G329 VanDerWaalsContact CB-O 3.31Å; A324-G329 WeakPolarHBondContact CB-O 3.4Å; A324-G329 PolarHBondContact O-N 3.4Å; A324-I331 HydrophobicContact CB-CG1 4.15Å
325L87.9Confident88Confident66 Ų6637.8 Ų37.835%0.34621%0.21SC..Hα-helixtrans-65.3-38.4176.6-66.3174.2000113.2A198 E321 R322 M367 A370A198-L325 HydrophobicContact CB-CD1 4.08Å; E321-L325 WeakPolarHBondContact O-CG 3.36Å; E321-L325 PolarHBondContact O-N 3.06Å; R322-L325 PolarHBondContact O-N 2.86Å; R322-L325 VanDerWaalsContact O-N 3.12Å; L325-M367 VanDerWaalsContact O-CB 3.29Å; L325-M367 WeakPolarHBondContact O-CB 3.39Å; L325-A370 HydrophobicContact CB-CB 4.05Å
326V88.6Confident87.9Confident0 Ų041.7 Ų41.70%023%0.231CC..Hα-helixtrans-70.7-52.1179.6171.30000111F218 R322 L323 V365 A366 M367 A370F218-V326 HydrophobicContact CB-CB 4.4Å; F218-V326 HydrophobicContact CB-CG1 3.84Å; F218-V326 HydrophobicContact CB-CG2 3.9Å; F218-V326 HydrophobicContact CD2-CG2 3.76Å; F218-V326 HydrophobicContact CG-CG2 3.94Å; R322-V326 WeakPolarHBondContact O-CB 3.44Å; R322-V326 VanDerWaalsContact O-CG2 3.24Å; R322-V326 WeakPolarHBondContact O-CG2 3.14Å; R322-V326 PolarHBondContact O-N 3.38Å; L323-V326 PolarHBondContact O-N 2.93Å; V326-V365 HydrophobicContact CG1-CB 3.45Å; V326-V365 VanDerWaalsContact CG1-CB 3.45Å; V326-V365 HydrophobicContact CG1-CG1 3.2Å; V326-V365 HydrophobicContact CG1-CG2 3.88Å; V326-A366 PolarHBondContact O-N 3.33Å; V326-M367 PolarHBondContact O-N 2.85Å; V326-A370 HydrophobicContact CG2-CB 3.51Å
327T89.3Confident87.8Confident3 Ų344 Ų442%0.01824%0.238CC..Hα-helixtrans-86.2-14.3-17267.60000113.2I237 L323 G329 G344 R345I237-T327 HydrophobicContact CD1-CG2 3.57Å; L323-T327 VanDerWaalsContact O-CB 3.29Å; L323-T327 WeakPolarHBondContact O-CB 3.04Å; L323-T327 VanDerWaalsContact O-CG2 3.29Å; L323-T327 WeakPolarHBondContact O-CG2 3.42Å; L323-T327 PolarHBondContact O-N 3.1Å; L323-T327 PolarHBondContact O-OG1 3.13Å; T327-G329 VanDerWaalsContact C-N 3.26Å; T327-G329 PolarHBondContact O-N 3.19Å; T327-G329 PolarHBondContact OG1-N 3.42Å; T327-G344 WeakPolarHBondContact O-CA 3.43Å; T327-R345 PolarHBondContact O-N 3.34Å
328G88Confident87.6Confident11 Ų1141.8 Ų41.811%0.11324%0.235CC..  trans74.69.8-176.200000114.7A324 K342A324-G328 CarbonylContact O-C 3.57Å; A324-G328 WeakPolarHBondContact O-CA 3.49Å; A324-G328 PolarHBondContact O-N 3.37Å; G328-K342 WeakPolarHBondContact O-CD 3.46Å; G328-K342 WeakPolarHBondContact O-CE 3.5Å; G328-K342 PolarHBondContact O-NZ 2.91Å
329G89.4Confident87.2Confident9 Ų949.4 Ų49.49%0.09327%0.265CS..  trans-82.6164.4178.300000113.2A324 T327 K342A324-G329 VanDerWaalsContact CB-O 3.31Å; A324-G329 WeakPolarHBondContact CB-O 3.4Å; A324-G329 PolarHBondContact O-N 3.4Å; T327-G329 VanDerWaalsContact C-N 3.26Å; T327-G329 PolarHBondContact O-N 3.19Å; T327-G329 PolarHBondContact OG1-N 3.42Å; G329-K342 WeakPolarHBondContact CA-O 3.48Å
330E90.8Very high87Confident110 Ų11056.5 Ų56.551%0.51430%0.298SS..  trans-104.3146.1176.9-172.6176178.200111.5T332 K342E330-T332 PolarHBondContact O-N 3.02Å; E330-K342 HydrophobicContact CB-CB 4.12Å; E330-K342 PolarHBondContact N-O 3.27Å
331I92.1Very high86.8Confident56 Ų5657.4 Ų57.429%0.28730%0.303SS..EExtended strand (participates in β ladder)trans-77.8110.2176-52176.9000108.9I239 N241 V320 E321 A324I239-I331 HydrophobicContact CG2-CG1 4.11Å; N241-I331 HydrophobicContact CB-CG2 4.05Å; V320-I331 HydrophobicContact CG1-CD1 3.74Å; V320-I331 HydrophobicContact CG1-CG1 3.85Å; V320-I331 HydrophobicContact CG1-CG2 3.99Å; E321-I331 HydrophobicContact CG-CD1 3.82Å; A324-I331 HydrophobicContact CB-CG1 4.15Å
332T90.4Very high86.8Confident12 Ų1259.4 Ų59.47%0.07431%0.311CS..EExtended strand (participates in β ladder)trans-105.7144.1-17657.10000113I239 A240 N241 E330 V341I239-T332 PolarHBondContact O-N 3.43Å; I239-T332 PolarHBondContact O-OG1 2.98Å; A240-T332 CarbonylContact C-O 3.59Å; A240-T332 WeakPolarHBondContact CA-O 3.41Å; N241-T332 PolarHBondContact N-O 3.43Å; E330-T332 PolarHBondContact O-N 3.02Å; T332-V341 HydrophobicContact CG2-CB 4.27Å; T332-V341 HydrophobicContact CG2-CG1 3.56Å; T332-V341 HydrophobicContact CG2-CG2 3.94Å
333S87.9Confident86.8Confident66 Ų6659.8 Ų59.846%0.46232%0.315SS..SBendtrans-115.1-18.6173.7-59.50000112.7N241N241-S333 PolarHBondContact O-OG 3.14Å
334T84.7Confident86.9Confident93 Ų9359.8 Ų59.857%0.57132%0.315SS*.  trans-121.4138.3-176.5-50.40000109.2D336T334-D336 HydrophobicContact CG2-CB 4.41Å; T334-D336 WeakPolarHBondContact CG2-OD2 3.27Å
335F84.1Confident86.9Confident9 Ų967.3 Ų67.34%0.03934%0.34CS..  trans-120.99-171.3-50.1-72.5000113.8L238 A240 T242 I282 H285 H337L238-F335 HydrophobicContact CD2-CD1 3.96Å; L238-F335 HydrophobicContact CD2-CE1 3.88Å; A240-F335 HydrophobicContact CB-CE1 3.96Å; A240-F335 HydrophobicContact CB-CZ 3.79Å; T242-F335 HydrophobicContact CG2-CE2 3.6Å; T242-F335 HydrophobicContact CG2-CZ 3.67Å; I282-F335 HydrophobicContact CD1-CD2 4.32Å; I282-F335 HydrophobicContact CD1-CE2 4.24Å; I282-F335 HydrophobicContact CD1-CZ 4.39Å; I282-F335 HydrophobicContact CG1-CB 4.35Å; I282-F335 HydrophobicContact CG1-CD1 3.97Å; I282-F335 HydrophobicContact CG1-CD2 4.01Å; I282-F335 HydrophobicContact CG1-CE1 4.29Å; I282-F335 HydrophobicContact CG1-CE2 4.34Å; I282-F335 HydrophobicContact CG1-CG 3.82Å; I282-F335 HydrophobicContact CG1-CZ 4.46Å; H285-F335 PolarHBondContact NE2-O 2.91Å; H285-F335 VanDerWaalsContact NE2-O 3.11Å; F335-H337 PolarHBondContact O-N 3.44Å
336D81.9Confident87.1Confident83 Ų8364.5 Ų64.544%0.44433%0.326SS..SBendtrans-72.3-29.4-170.7-62.5-42.1000113.3R281 T334R281-D336 IonicContact CZ-OD1 2.71Å; R281-D336 IonicContact NH1-OD1 2.64Å; R281-D336 PolarHBondContact NH1-OD1 3.02Å; T334-D336 HydrophobicContact CG2-CB 4.41Å; T334-D336 WeakPolarHBondContact CG2-OD2 3.27Å
337H81.8Confident87.3Confident136 Ų13671.2 Ų71.263%0.6336%0.355SS*.  trans-120.698.6-178.8-62.2-60.2000111.1F335 E339 M340F335-H337 PolarHBondContact O-N 3.44Å; H337-E339 VanDerWaalsContact C-N 3.25Å; H337-E339 PolarHBondContact O-N 2.71Å; H337-M340 HydrophobicContact CB-CB 4.48Å; H337-M340 HydrophobicContact CB-CG 4.17Å; H337-M340 PolarHBondContact O-N 2.64Å
338P78.9Confident87.4Confident59 Ų5972.5 Ų72.538%0.38336%0.362SS..G310 helixtrans-59.8-31.5178.8-25.735.1000115.1H285 M340 V341H285-P338 WeakPolarHBondContact CE1-CA 3.35Å; H285-P338 WeakPolarHBondContact ND1-CA 3.33Å; P338-M340 PolarHBondContact O-N 2.9Å; P338-V341 PolarHBondContact O-N 2.83Å
339E78.8Confident87.7Confident194 Ų19472 Ų7291%0.90736%0.356SS*.G310 helixtrans-67.9-24.1-175.8-56.6-176.1-165.500113.4H337H337-E339 VanDerWaalsContact C-N 3.25Å; H337-E339 PolarHBondContact O-N 2.71Å
340M82.3Confident87.8Confident156 Ų15673.8 Ų73.877%0.76836%0.363SS*.G310 helixtrans-89.3-6.4-177.8-63.2-67.6-72.700112.7H337 P338H337-M340 HydrophobicContact CB-CB 4.48Å; H337-M340 HydrophobicContact CB-CG 4.17Å; H337-M340 PolarHBondContact O-N 2.64Å; P338-M340 PolarHBondContact O-N 2.9Å
341V84.8Confident87.8Confident20 Ų2070.9 Ų70.912%0.12135%0.349CS..  trans-99.9118.9-172.5175.10000110.9L238 T332 P338 L343L238-V341 HydrophobicContact CD1-CG1 3.56Å; T332-V341 HydrophobicContact CG2-CB 4.27Å; T332-V341 HydrophobicContact CG2-CG1 3.56Å; T332-V341 HydrophobicContact CG2-CG2 3.94Å; P338-V341 PolarHBondContact O-N 2.83Å; V341-L343 HydrophobicContact CG1-CD2 4.07Å; V341-L343 PolarHBondContact O-N 2.93Å
342K89.7Confident87.8Confident112 Ų11270.1 Ų70.149%0.48735%0.347SS..  trans-80.6105.5172.5-166.4-176.4-178.9-156.40110.7G328 G329 E330G328-K342 WeakPolarHBondContact O-CD 3.46Å; G328-K342 WeakPolarHBondContact O-CE 3.5Å; G328-K342 PolarHBondContact O-NZ 2.91Å; G329-K342 WeakPolarHBondContact CA-O 3.48Å; E330-K342 HydrophobicContact CB-CB 4.12Å; E330-K342 PolarHBondContact N-O 3.27Å
343L91.2Very high87.7Confident44 Ų4476.7 Ų76.723%0.2338%0.378CS..  trans-75139.8175.5-60.4176.8000111.7L238 I287 V341L238-L343 HydrophobicContact CB-CD2 4.04Å; L238-L343 HydrophobicContact CD1-CD2 3.64Å; L238-L343 HydrophobicContact CG-CD2 4.43Å; I287-L343 HydrophobicContact CG2-CD1 4.03Å; I287-L343 HydrophobicContact CG2-CD2 3.76Å; V341-L343 HydrophobicContact CG1-CD2 4.07Å; V341-L343 PolarHBondContact O-N 2.93Å
344G91.6Very high87.7Confident0 Ų074.2 Ų74.20%036%0.36CS..EExtended strand (participates in β ladder)trans-74.3154.5170.600000111.8I237 T327I237-G344 PolarHBondContact N-O 3.04Å; I237-G344 PolarHBondContact O-N 3.44Å; T327-G344 WeakPolarHBondContact O-CA 3.43Å
345R91.7Very high87.6Confident174 Ų17472 Ų7266%0.65736%0.356SS*.EExtended strand (participates in β ladder)trans-130.3138.4178.5-65.7-178178.4170.7-0.3111.3V235 T327V235-R345 WeakPolarHBondContact O-CA 3.49Å; T327-R345 PolarHBondContact O-N 3.34Å
346C91.5Very high87.7Confident7 Ų780.8 Ų80.85%0.04740%0.397CS..EExtended strand (participates in β ladder)trans-143.8145.4176.3-168.60000110N234 V235 I237 L348 I349 S363N234-C346 CarbonylContact C-O 3.55Å; V235-C346 PolarHBondContact N-O 3.46Å; V235-C346 PolarHBondContact O-N 2.84Å; V235-C346 VanDerWaalsContact O-N 3.11Å; I237-C346 HydrophobicContact CD1-CB 3.7Å; C346-L348 PolarHBondContact SG-O 3.33Å; C346-I349 HydrophobicContact CB-CG1 4.44Å; C346-S363 PolarHBondContact SG-O 2.78Å
347K92.2Very high87.9Confident142 Ų14280.5 Ų80.562%0.61740%0.395SS*.EExtended strand (participates in β ladder)trans-75.1-41.3178.7-70-178.6-168.9173.50112.4E233 N234 S363 G364E233-K347 CarbonylContact C-O 3.59Å; E233-K347 WeakPolarHBondContact CA-O 3.48Å; N234-K347 PolarHBondContact N-O 2.74Å; K347-S363 WeakPolarHBondContact CB-O 3.42Å; K347-S363 PolarHBondContact N-O 3.19Å; K347-G364 WeakPolarHBondContact CG-O 3.29Å; K347-G364 PolarHBondContact N-O 3.16Å
348L92.1Very high88.3Confident29 Ų2975.6 Ų75.615%0.15238%0.375CS..EExtended strand (participates in β ladder)trans-142.9134.5-176.5-177.469.4000109.7R231 L232 E233 C346 E350 S363R231-L348 HydrophobicContact CG-CD1 3.83Å; L232-L348 CarbonylContact O-C 3.58Å; L232-L348 WeakPolarHBondContact O-CA 3.26Å; E233-L348 HydrophobicContact CG-CD1 3.79Å; C346-L348 PolarHBondContact SG-O 3.33Å; L348-E350 HydrophobicContact CD2-CG 4.34Å; L348-E350 HydrophobicContact CG-CG 4.49Å; L348-S363 PolarHBondContact N-O 2.89Å; L348-S363 VanDerWaalsContact N-O 3.1Å; L348-S363 PolarHBondContact O-N 2.9Å
349I93.3Very high88.9Confident0 Ų072.8 Ų72.80%036%0.357CS..EExtended strand (participates in β ladder)trans-120.6125.4164-58178.4000107.1R231 L232 V235 I237 C289 M310 C346 I360 H361 F362R231-I349 CarbonylContact C-O 3.59Å; R231-I349 VanDerWaalsContact CA-O 3.27Å; R231-I349 WeakPolarHBondContact CA-O 3.29Å; L232-I349 PolarHBondContact N-O 3.26Å; L232-I349 PolarHBondContact O-N 2.87Å; V235-I349 HydrophobicContact CB-CD1 3.94Å; V235-I349 HydrophobicContact CB-CG1 4.27Å; V235-I349 HydrophobicContact CG1-CD1 3.68Å; V235-I349 HydrophobicContact CG2-CB 4.31Å; V235-I349 HydrophobicContact CG2-CD1 3.89Å; V235-I349 HydrophobicContact CG2-CG1 3.79Å; I237-I349 HydrophobicContact CD1-CD1 3.96Å; I237-I349 HydrophobicContact CG1-CD1 4.18Å; C289-I349 HydrophobicContact CB-CD1 4.08Å; M310-I349 HydrophobicContact CE-CG2 4.1Å; M310-I349 HydrophobicContact SD-CG2 3.83Å; C346-I349 HydrophobicContact CB-CG1 4.44Å; I349-I360 HydrophobicContact CG2-CG2 3.47Å; I349-I360 VanDerWaalsContact CG2-CG2 3.47Å; I349-H361 WeakPolarHBondContact CA-O 3.26Å; I349-F362 HydrophobicContact CD1-CD1 3.72Å; I349-F362 HydrophobicContact CD1-CE1 3.5Å; I349-F362 VanDerWaalsContact CD1-CE1 3.5Å; I349-F362 HydrophobicContact CD1-CZ 4.47Å; I349-F362 HydrophobicContact CG1-CD1 3.66Å; I349-F362 HydrophobicContact CG1-CE1 3.92Å; I349-F362 HydrophobicContact CG1-CG 4.43Å; I349-F362 HydrophobicContact CG2-CE1 4.33Å
350E92.4Very high89.5Confident48 Ų4863.6 Ų63.622%0.22431%0.314CS..EExtended strand (participates in β ladder)trans-143.1153.2175.964.9-176.5175.100112.6K230 R231 L348 V352 H361K230-E350 WeakPolarHBondContact O-CA 3.44Å; R231-E350 HydrophobicContact CB-CB 4.35Å; R231-E350 HydrophobicContact CG-CB 4.23Å; R231-E350 IonicContact NH1-OE2 3.41Å; R231-E350 PolarHBondContact NH1-OE2 2.84Å; L348-E350 HydrophobicContact CD2-CG 4.34Å; L348-E350 HydrophobicContact CG-CG 4.49Å; E350-V352 HydrophobicContact CG-CG2 3.88Å; E350-H361 HydrophobicContact CG-CB 4.41Å; E350-H361 PolarHBondContact N-O 3.07Å; E350-H361 PolarHBondContact O-N 3.02Å; E350-H361 IonicContact OE1-ND1 3.69Å
351E91.1Very high90Very high48 Ų4857.6 Ų57.622%0.22428%0.284CS..EExtended strand (participates in β ladder)trans-81.5118.2170.9-167.3176-159.600109.7I224 K230 T358 L359I224-E351 HydrophobicContact CD1-CB 4.06Å; K230-E351 WeakPolarHBondContact CD-OE2 3.27Å; K230-E351 WeakPolarHBondContact CE-OE2 3.47Å; K230-E351 IonicContact NZ-OE2 2.69Å; K230-E351 PolarHBondContact NZ-OE2 3.25Å; K230-E351 PolarHBondContact O-N 3.43Å; E351-T358 HydrophobicContact CG-CG2 4.32Å; E351-T358 VanDerWaalsContact OE1-CB 3.23Å; E351-T358 WeakPolarHBondContact OE1-CB 3.45Å; E351-T358 PolarHBondContact OE1-OG1 3.29Å; E351-T358 VanDerWaalsContact OE1-OG1 3.11Å; E351-L359 CarbonylContact C-O 3.54Å; E351-L359 WeakPolarHBondContact CA-O 3.25Å
352V91.5Very high90.4Very high40 Ų4056.7 Ų56.724%0.24228%0.278CS..EExtended strand (participates in β ladder)trans-113.6138.5178.8-176.50000109.3E350 I354 L359 H361E350-V352 HydrophobicContact CG-CG2 3.88Å; V352-I354 HydrophobicContact CG1-CG1 4.34Å; V352-L359 PolarHBondContact N-O 2.96Å; V352-L359 PolarHBondContact O-N 2.72Å; V352-H361 HydrophobicContact CB-CB 4.39Å; V352-H361 HydrophobicContact CG2-CB 3.56Å
353M89.3Confident90.4Very high150 Ų15052.5 Ų52.574%0.73926%0.263SS*.EExtended strand (participates in β ladder)trans-90.6121.9171.8-76.5-177.3-7200110.2D357 T358M353-D357 WeakPolarHBondContact CA-O 3.28Å; M353-T358 HydrophobicContact CG-CG2 3.63Å; M353-T358 HydrophobicContact SD-CG2 4.41Å
354I87.3Confident90.2Very high14 Ų1452 Ų527%0.07227%0.269CS..EExtended strand (participates in β ladder)trans-117.4105.4172.3-57.1-168.1000108.3K204 Y213 L219 V352 E356 D357 L359 V374K204-I354 HydrophobicContact CB-CG2 4.39Å; K204-I354 HydrophobicContact CG-CG2 4.24Å; Y213-I354 VanDerWaalsContact OH-CD1 3.24Å; Y213-I354 WeakPolarHBondContact OH-CD1 3.47Å; L219-I354 HydrophobicContact CD1-CD1 3.94Å; L219-I354 HydrophobicContact CD2-CD1 4.5Å; V352-I354 HydrophobicContact CG1-CG1 4.34Å; I354-E356 PolarHBondContact O-N 3.12Å; I354-D357 PolarHBondContact N-O 3.5Å; I354-D357 PolarHBondContact O-N 2.64Å; I354-L359 HydrophobicContact CB-CD1 3.93Å; I354-L359 HydrophobicContact CD1-CD1 3.58Å; I354-L359 HydrophobicContact CG1-CD1 3.83Å; I354-V374 HydrophobicContact CD1-CG1 4.48Å; I354-V374 HydrophobicContact CD1-CG2 4.24Å; I354-V374 HydrophobicContact CG2-CG1 4.19Å
355G83.3Confident89.8Confident47 Ų4753.5 Ų53.549%0.48528%0.278SS..THydrogen-bonded Turntrans69.7-117.6-170.100000110.3
356E85.4Confident89.1Confident193 Ų19348.6 Ų48.690%0.90227%0.274SS*.THydrogen-bonded Turntrans-101.5-12.9179.1-61.7-177.5176.900113I354I354-E356 PolarHBondContact O-N 3.12Å
357D87.1Confident88.3Confident78 Ų7852.3 Ų52.342%0.41729%0.292SS..EExtended strand (participates in β ladder)trans-95.1143.3-175.9-68.6-34.7000111.8K204 M353 I354K204-D357 HydrophobicContact CD-CB 4.25Å; K204-D357 VanDerWaalsContact CD-OD2 3.31Å; K204-D357 WeakPolarHBondContact CD-OD2 3.47Å; K204-D357 WeakPolarHBondContact CE-OD2 3.41Å; K204-D357 IonicContact NZ-OD2 3.78Å; K204-D357 PolarHBondContact NZ-OD2 2.84Å; M353-D357 WeakPolarHBondContact CA-O 3.28Å; I354-D357 PolarHBondContact N-O 3.5Å; I354-D357 PolarHBondContact O-N 2.64Å
358T88.7Confident87.5Confident33 Ų3346.6 Ų46.620%0.20227%0.274CS..EExtended strand (participates in β ladder)trans-91.9128.516957.60000110.5E351 M353E351-T358 HydrophobicContact CG-CG2 4.32Å; E351-T358 VanDerWaalsContact OE1-CB 3.23Å; E351-T358 WeakPolarHBondContact OE1-CB 3.45Å; E351-T358 PolarHBondContact OE1-OG1 3.29Å; E351-T358 VanDerWaalsContact OE1-OG1 3.11Å; M353-T358 HydrophobicContact CG-CG2 3.63Å; M353-T358 HydrophobicContact SD-CG2 4.41Å
359L91.9Very high87Confident0 Ų048 Ų480%028%0.279CS..EExtended strand (participates in β ladder)trans-122.1155.3179.1-62.4172000109.4L219 D221 E351 V352 I354L219-L359 HydrophobicContact CD2-CB 4.43Å; D221-L359 HydrophobicContact CB-CD2 3.58Å; D221-L359 VanDerWaalsContact CG-CD2 3.45Å; D221-L359 WeakPolarHBondContact OD1-CD2 3.38Å; E351-L359 CarbonylContact C-O 3.54Å; E351-L359 WeakPolarHBondContact CA-O 3.25Å; V352-L359 PolarHBondContact N-O 2.96Å; V352-L359 PolarHBondContact O-N 2.72Å; I354-L359 HydrophobicContact CB-CD1 3.93Å; I354-L359 HydrophobicContact CD1-CD1 3.58Å; I354-L359 HydrophobicContact CG1-CD1 3.83Å
360I92.2Very high86.6Confident0 Ų048 Ų480%028%0.28CS..EExtended strand (participates in β ladder)trans-97.5120.1174.1-56.7168.9000108.3L219 L220 K222 I224 I312 I349 F362L219-I360 WeakPolarHBondContact CA-O 3.31Å; L220-I360 HydrophobicContact CB-CB 4.46Å; L220-I360 PolarHBondContact N-O 3.41Å; L220-I360 PolarHBondContact O-N 3.14Å; K222-I360 HydrophobicContact CB-CD1 4.42Å; K222-I360 WeakPolarHBondContact O-CD1 3.33Å; K222-I360 WeakPolarHBondContact O-CG1 3.48Å; I224-I360 HydrophobicContact CD1-CG1 4.36Å; I224-I360 HydrophobicContact CG1-CD1 3.7Å; I224-I360 HydrophobicContact CG1-CG1 3.97Å; I312-I360 HydrophobicContact CD1-CD1 3.64Å; I312-I360 HydrophobicContact CD1-CG2 4.24Å; I312-I360 HydrophobicContact CG1-CD1 3.87Å; I312-I360 HydrophobicContact CG2-CD1 4.1Å; I349-I360 HydrophobicContact CG2-CG2 3.47Å; I349-I360 VanDerWaalsContact CG2-CG2 3.47Å; I360-F362 HydrophobicContact CB-CE2 4.11Å; I360-F362 HydrophobicContact CG2-CD2 4.12Å; I360-F362 HydrophobicContact CG2-CE2 3.53Å; I360-F362 HydrophobicContact CG2-CZ 3.9Å
361H92.8Very high86.5Confident31 Ų3145.8 Ų45.814%0.14427%0.269CS..EExtended strand (participates in β ladder)trans-100.4125.5179.1179.6-139.6000110.5D215 L219 I349 E350 V352 S363D215-H361 IonicContact OD1-CD2 3.03Å; D215-H361 IonicContact OD1-NE2 3.59Å; D215-H361 PolarHBondContact OD1-NE2 3.43Å; D215-H361 IonicContact OD2-CD2 2.83Å; D215-H361 PolarHBondContact OD2-CD2 3.43Å; D215-H361 VanDerWaalsContact OD2-CD2 3.29Å; D215-H361 IonicContact OD2-NE2 2.9Å; D215-H361 PolarHBondContact OD2-NE2 2.9Å; L219-H361 HydrophobicContact CD2-CB 3.65Å; I349-H361 WeakPolarHBondContact CA-O 3.26Å; E350-H361 HydrophobicContact CG-CB 4.41Å; E350-H361 PolarHBondContact N-O 3.07Å; E350-H361 PolarHBondContact O-N 3.02Å; E350-H361 IonicContact OE1-ND1 3.69Å; V352-H361 HydrophobicContact CB-CB 4.39Å; V352-H361 HydrophobicContact CG2-CB 3.56Å; H361-S363 PolarHBondContact CE1-OG 3.18Å; H361-S363 PolarHBondContact ND1-OG 3.4Å; H361-S363 VanDerWaalsContact ND1-OG 3.11Å; H361-S363 PolarHBondContact NE2-OG 2.7Å
362F92.2Very high86.5Confident0 Ų043.5 Ų43.50%026%0.259CS..EExtended strand (participates in β ladder)trans-107.7103.5177.2-65.5-102.7000109.3G217 F218 L220 I237 I291 I312 L323 I349 I360 V365G217-F362 WeakPolarHBondContact CA-O 3.47Å; F218-F362 HydrophobicContact CB-CB 4.33Å; F218-F362 HydrophobicContact CD1-CD2 4.34Å; F218-F362 PolarHBondContact N-O 3.01Å; F218-F362 VanDerWaalsContact N-O 3.11Å; F218-F362 WeakPolarHBondContact O-CD2 3.31Å; F218-F362 PolarHBondContact O-N 3.07Å; L220-F362 HydrophobicContact CB-CE2 3.95Å; L220-F362 HydrophobicContact CD2-CE2 4.39Å; I237-F362 HydrophobicContact CD1-CD1 4.12Å; I237-F362 HydrophobicContact CD1-CE1 4.1Å; I291-F362 HydrophobicContact CD1-CE1 3.89Å; I291-F362 HydrophobicContact CD1-CZ 3.86Å; I312-F362 HydrophobicContact CD1-CZ 3.82Å; L323-F362 HydrophobicContact CD2-CD1 4.36Å; L323-F362 HydrophobicContact CD2-CD2 4.21Å; L323-F362 HydrophobicContact CD2-CE1 4.07Å; L323-F362 HydrophobicContact CD2-CE2 3.92Å; L323-F362 HydrophobicContact CD2-CG 4.43Å; L323-F362 HydrophobicContact CD2-CZ 3.85Å; I349-F362 HydrophobicContact CD1-CD1 3.72Å; I349-F362 HydrophobicContact CD1-CE1 3.5Å; I349-F362 VanDerWaalsContact CD1-CE1 3.5Å; I349-F362 HydrophobicContact CD1-CZ 4.47Å; I349-F362 HydrophobicContact CG1-CD1 3.66Å; I349-F362 HydrophobicContact CG1-CE1 3.92Å; I349-F362 HydrophobicContact CG1-CG 4.43Å; I349-F362 HydrophobicContact CG2-CE1 4.33Å; I360-F362 HydrophobicContact CB-CE2 4.11Å; I360-F362 HydrophobicContact CG2-CD2 4.12Å; I360-F362 HydrophobicContact CG2-CE2 3.53Å; I360-F362 HydrophobicContact CG2-CZ 3.9Å; F362-V365 HydrophobicContact CB-CG1 4.38Å; F362-V365 WeakPolarHBondContact O-CG1 3.22Å
363S90.6Very high86.7Confident25 Ų2541.6 Ų41.618%0.17525%0.247CC..EExtended strand (participates in β ladder)trans-104.5146.5-176.7-32.90000113.2C346 K347 L348 H361C346-S363 PolarHBondContact SG-O 2.78Å; K347-S363 WeakPolarHBondContact CB-O 3.42Å; K347-S363 PolarHBondContact N-O 3.19Å; L348-S363 PolarHBondContact N-O 2.89Å; L348-S363 VanDerWaalsContact N-O 3.1Å; L348-S363 PolarHBondContact O-N 2.9Å; H361-S363 PolarHBondContact CE1-OG 3.18Å; H361-S363 PolarHBondContact ND1-OG 3.4Å; H361-S363 VanDerWaalsContact ND1-OG 3.11Å; H361-S363 PolarHBondContact NE2-OG 2.7Å
364G85.4Confident86.9Confident34 Ų3434.4 Ų34.435%0.35121%0.212SC..EExtended strand (participates in β ladder)trans69.455.3176.600000112.4K347K347-G364 WeakPolarHBondContact CG-O 3.29Å; K347-G364 PolarHBondContact N-O 3.16Å
365V84.2Confident87.3Confident30 Ų3033.8 Ų33.818%0.18221%0.208CC..EExtended strand (participates in β ladder)trans-82.1152.8-174.2-62.40000111.4V326 F362V326-V365 HydrophobicContact CG1-CB 3.45Å; V326-V365 VanDerWaalsContact CG1-CB 3.45Å; V326-V365 HydrophobicContact CG1-CG1 3.2Å; V326-V365 HydrophobicContact CG1-CG2 3.88Å; F362-V365 HydrophobicContact CB-CG1 4.38Å; F362-V365 WeakPolarHBondContact O-CG1 3.22Å
366A76.9Confident87.7Confident71 Ų7133.2 Ų33.259%0.58719%0.192SC*.SBendtrans-79.9-45.2-168.400000114.2V326V326-A366 PolarHBondContact O-N 3.33Å
367M75.3Confident88Confident86 Ų8624 Ų2442%0.42415%0.149SC..SBendtrans-101-35.4-177.5-91.7-179.116300112.4L325 V326 E369L325-M367 VanDerWaalsContact O-CB 3.29Å; L325-M367 WeakPolarHBondContact O-CB 3.39Å; V326-M367 PolarHBondContact O-N 2.85Å; M367-E369 HydrophobicContact CB-CG 4.23Å; M367-E369 PolarHBondContact O-N 3.04Å
368G75Confident88.1Confident22 Ų2223.9 Ų23.923%0.22716%0.158CC..  trans62.122.2174.200000114.6A370G368-A370 VanDerWaalsContact C-N 3.29Å; G368-A370 PolarHBondContact O-N 3.02Å
369E82Confident88.2Confident57 Ų5724.9 Ų24.927%0.26617%0.165SC..  trans-84-1.4-174.9-67.3178178.500113.6L190 M367L190-E369 VanDerWaalsContact CD2-O 3.27Å; L190-E369 WeakPolarHBondContact CD2-O 3.44Å; M367-E369 HydrophobicContact CB-CG 4.23Å; M367-E369 PolarHBondContact O-N 3.04Å
370A85.2Confident88.1Confident2 Ų228.5 Ų28.52%0.01718%0.181CC..SBendtrans-130.9151.8171.400000108.4A198 R322 L325 V326 G368A198-A370 HydrophobicContact CB-CB 4.11Å; A198-A370 WeakPolarHBondContact O-CA 3.4Å; A198-A370 WeakPolarHBondContact O-CB 3.46Å; R322-A370 HydrophobicContact CB-CB 4.32Å; L325-A370 HydrophobicContact CB-CB 4.05Å; V326-A370 HydrophobicContact CG2-CB 3.51Å; G368-A370 VanDerWaalsContact C-N 3.29Å; G368-A370 PolarHBondContact O-N 3.02Å
371C88.6Confident87.9Confident0 Ų032.6 Ų32.60%020%0.201CC..EExtended strand (participates in β ladder)trans-144.5157.7-17464.80000111.1A198 H200 L214A198-C371 PolarHBondContact O-N 3.46Å; H200-C371 PolarHBondContact N-O 3.36Å; L214-C371 HydrophobicContact CD1-CB 3.8Å
372T92.2Very high87.7Confident0 Ų033.4 Ų33.40%021%0.205CC..EExtended strand (participates in β ladder)trans-115.9126.7175.8-50.70000110.4H200 I202 D215 F218 L219H200-T372 HydrophobicContact CB-CG2 4.21Å; H200-T372 CarbonylContact O-C 3.58Å; H200-T372 VanDerWaalsContact O-CA 3.26Å; H200-T372 WeakPolarHBondContact O-CA 3.45Å; H200-T372 WeakPolarHBondContact O-CG2 3.32Å; I202-T372 HydrophobicContact CB-CG2 4.48Å; I202-T372 HydrophobicContact CD1-CG2 3.56Å; I202-T372 HydrophobicContact CG1-CG2 3.71Å; D215-T372 WeakPolarHBondContact CB-O 3.32Å; D215-T372 PolarHBondContact N-O 3.02Å; F218-T372 VanDerWaalsContact CD2-OG1 3.23Å; F218-T372 WeakPolarHBondContact CD2-OG1 3.46Å; L219-T372 HydrophobicContact CB-CG2 3.92Å; L219-T372 HydrophobicContact CD1-CG2 4.48Å; L219-T372 PolarHBondContact N-OG1 3.3Å; L219-T372 VanDerWaalsContact N-OG1 3.08Å; L219-T372 PolarHBondContact O-OG1 3.47Å
373I94.4Very high87.7Confident0 Ų033.4 Ų33.40%021%0.205CC..EExtended strand (participates in β ladder)trans-101.2122.8170.1-59.4172.7000107.6A186 I199 H200 V201 I202 L214 L375 L390 L394A186-I373 HydrophobicContact CB-CD1 3.9Å; I199-I373 HydrophobicContact CG2-CD1 3.83Å; I199-I373 HydrophobicContact CG2-CG1 4.22Å; H200-I373 PolarHBondContact O-N 3.26Å; V201-I373 WeakPolarHBondContact CA-O 3.36Å; I202-I373 PolarHBondContact N-O 3.27Å; L214-I373 HydrophobicContact CD1-CG1 3.69Å; I373-L375 HydrophobicContact CG2-CD2 4.17Å; I373-L390 HydrophobicContact CB-CD2 4.43Å; I373-L390 HydrophobicContact CD1-CD2 3.87Å; I373-L390 HydrophobicContact CG2-CD2 3.82Å; I373-L394 HydrophobicContact CD1-CD1 4.34Å
374V94.6Very high87.6Confident0 Ų034.2 Ų34.20%021%0.208CC..EExtended strand (participates in β ladder)trans-95.1118.1173.9-177.50000108.3I202 S212 Y213 L219 I354 R376I202-V374 WeakPolarHBondContact O-CA 3.43Å; S212-V374 CarbonylContact C-O 3.29Å; S212-V374 WeakPolarHBondContact CA-O 3.41Å; S212-V374 VanDerWaalsContact CB-O 3.23Å; S212-V374 WeakPolarHBondContact CB-O 3.39Å; Y213-V374 HydrophobicContact CD1-CB 4.4Å; Y213-V374 HydrophobicContact CE1-CB 4.1Å; Y213-V374 HydrophobicContact CE1-CG1 4.38Å; Y213-V374 HydrophobicContact CE1-CG2 4.38Å; Y213-V374 HydrophobicContact CE2-CG2 4.44Å; Y213-V374 PolarHBondContact N-O 3.26Å; Y213-V374 PolarHBondContact O-N 3.07Å; L219-V374 HydrophobicContact CD1-CG2 3.33Å; I354-V374 HydrophobicContact CD1-CG1 4.48Å; I354-V374 HydrophobicContact CD1-CG2 4.24Å; I354-V374 HydrophobicContact CG2-CG1 4.19Å; V374-R376 HydrophobicContact CG1-CG 4.42Å
375L94.5Very high87.8Confident0 Ų032.7 Ų32.70%019%0.192CC..EExtended strand (participates in β ladder)trans-95.9125.4172.5-66-177.3000110.1F179 V201 I202 K203 K204 I373 L383 A386 E387 L390F179-L375 HydrophobicContact CE1-CD2 3.63Å; F179-L375 HydrophobicContact CZ-CD2 4.4Å; V201-L375 HydrophobicContact CG1-CD1 3.43Å; V201-L375 VanDerWaalsContact CG1-CD1 3.43Å; V201-L375 HydrophobicContact CG1-CG 3.73Å; I202-L375 PolarHBondContact O-N 2.65Å; K203-L375 HydrophobicContact CG-CB 4.5Å; K204-L375 PolarHBondContact N-O 3.45Å; I373-L375 HydrophobicContact CG2-CD2 4.17Å; L375-L383 HydrophobicContact CB-CD2 3.96Å; L375-A386 HydrophobicContact CD1-CB 4.32Å; L375-E387 HydrophobicContact CD1-CB 3.92Å; L375-L390 HydrophobicContact CD1-CD2 4.42Å; L375-L390 HydrophobicContact CD2-CD2 4.08Å
376R92.4Very high88.1Confident35 Ų3531.3 Ų31.313%0.13218%0.183CC..EExtended strand (participates in β ladder)trans-110.6148.7175-61.9-67.3-70164.21.5109.3K204 L205 G206 S208 L209 D211 S212 V374 L383K204-R376 VanDerWaalsContact CB-NH1 3.28Å; K204-R376 PolarHBondContact O-NH1 3.22Å; L205-R376 PolarHBondContact O-NH1 2.9Å; L205-R376 PolarHBondContact O-NH2 3.38Å; G206-R376 VanDerWaalsContact C-NH2 3.35Å; G206-R376 PolarHBondContact O-NE 2.94Å; G206-R376 PolarHBondContact O-NH2 2.96Å; G206-R376 VanDerWaalsContact O-NH2 3.15Å; S208-R376 WeakPolarHBondContact O-CB 3.47Å; L209-R376 WeakPolarHBondContact CA-O 3.09Å; L209-R376 WeakPolarHBondContact CD2-O 3.49Å; D211-R376 HydrophobicContact CB-CB 4.06Å; D211-R376 HydrophobicContact CB-CG 4.14Å; S212-R376 PolarHBondContact OG-N 3.34Å; V374-R376 HydrophobicContact CG1-CG 4.42Å; R376-L383 VanDerWaalsContact C-CD2 3.46Å
377G91.3Very high88.8Confident0 Ų030.9 Ų30.90%017%0.169CC..EExtended strand (participates in β ladder)trans-178.1152.6-174.900000113.4G206G206-G377 PolarHBondContact N-O 3.19Å; G206-G377 PolarHBondContact O-N 3.37Å
378A90.6Very high89.5Confident75 Ų7529.3 Ų29.362%0.6216%0.158SC*.SBendtrans-70.2-34.5-173.900000113.4
379T90.2Very high90.2Very high55 Ų5528.2 Ų28.234%0.33715%0.148SC..SBendtrans-134.2156.2-177.868.70000111.3Q381 I382 L383T379-Q381 VanDerWaalsContact C-N 3.28Å; T379-Q381 PolarHBondContact O-N 3.17Å; T379-Q381 PolarHBondContact OG1-OE1 3.46Å; T379-I382 PolarHBondContact O-N 2.95Å; T379-I382 WeakPolarHBondContact OG1-CD1 3.39Å; T379-I382 VanDerWaalsContact OG1-CG1 3.31Å; T379-I382 WeakPolarHBondContact OG1-CG1 3.39Å; T379-I382 PolarHBondContact OG1-N 2.94Å; T379-L383 PolarHBondContact O-N 2.93Å; T379-L383 VanDerWaalsContact O-N 3.13Å
380Q89Confident90.7Very high75 Ų7525.5 Ų25.535%0.3514%0.135SC..Hα-helixtrans-61.9-37.7178.8-170.463.336.100111.7L205 I382 L383 D384L205-Q380 HydrophobicContact CD2-CB 4.29Å; Q380-I382 VanDerWaalsContact C-N 3.34Å; Q380-I382 PolarHBondContact O-N 3.02Å; Q380-L383 PolarHBondContact O-N 3.47Å; Q380-D384 PolarHBondContact NE2-OD1 3.4Å; Q380-D384 WeakPolarHBondContact O-CB 3.48Å; Q380-D384 PolarHBondContact O-N 2.9Å
381Q87.9Confident90.9Very high86 Ų8629.8 Ų29.840%0.40215%0.154SC..Hα-helixtrans-64.4-39.9179.9-59.185.1-2.500111.9T379 E385T379-Q381 VanDerWaalsContact C-N 3.28Å; T379-Q381 PolarHBondContact O-N 3.17Å; T379-Q381 PolarHBondContact OG1-OE1 3.46Å; Q381-E385 PolarHBondContact O-N 3.45Å
382I89.4Confident91Very high48 Ų4830 Ų3025%0.24616%0.156CC..Hα-helixtrans-64.7-42.2175.5-72.5170.9000110.4L171 L209 T379 Q380 E385 A386L171-I382 HydrophobicContact CD1-CG1 4.2Å; L171-I382 HydrophobicContact CD2-CG2 3.79Å; L209-I382 HydrophobicContact CD1-CG2 3.87Å; L209-I382 HydrophobicContact CD2-CG2 3.86Å; L209-I382 HydrophobicContact CG-CG2 4.03Å; T379-I382 PolarHBondContact O-N 2.95Å; T379-I382 WeakPolarHBondContact OG1-CD1 3.39Å; T379-I382 VanDerWaalsContact OG1-CG1 3.31Å; T379-I382 WeakPolarHBondContact OG1-CG1 3.39Å; T379-I382 PolarHBondContact OG1-N 2.94Å; Q380-I382 VanDerWaalsContact C-N 3.34Å; Q380-I382 PolarHBondContact O-N 3.02Å; I382-E385 PolarHBondContact O-N 3.4Å; I382-A386 VanDerWaalsContact O-CB 3.23Å; I382-A386 WeakPolarHBondContact O-CB 3.36Å; I382-A386 PolarHBondContact O-N 3.24Å
383L91.8Very high91Very high0 Ų030.1 Ų30.10%016%0.156CC..Hα-helixtrans-65.3-43.1177.8-76.2174000112.5K203 L205 L375 R376 T379 Q380 E385 A386 E387K203-L383 HydrophobicContact CB-CB 4.41Å; K203-L383 HydrophobicContact CB-CD1 4.31Å; K203-L383 HydrophobicContact CD-CB 4.08Å; K203-L383 HydrophobicContact CG-CB 4.34Å; L205-L383 HydrophobicContact CD2-CD1 3.65Å; L205-L383 HydrophobicContact CG-CD1 4Å; L375-L383 HydrophobicContact CB-CD2 3.96Å; R376-L383 VanDerWaalsContact C-CD2 3.46Å; T379-L383 PolarHBondContact O-N 2.93Å; T379-L383 VanDerWaalsContact O-N 3.13Å; Q380-L383 PolarHBondContact O-N 3.47Å; L383-E385 VanDerWaalsContact C-N 3.3Å; L383-E385 PolarHBondContact O-N 2.89Å; L383-A386 PolarHBondContact O-N 3.48Å; L383-E387 WeakPolarHBondContact O-CB 3.29Å; L383-E387 PolarHBondContact O-N 3.03Å
384D89.7Confident90.9Very high42 Ų4230.3 Ų30.323%0.22516%0.157CC..Hα-helixtrans-64.5-37.5178.4-66-19.3000111K203 Q380 R388K203-D384 IonicContact NZ-OD1 3.73Å; K203-D384 PolarHBondContact NZ-OD1 2.85Å; Q380-D384 PolarHBondContact NE2-OD1 3.4Å; Q380-D384 WeakPolarHBondContact O-CB 3.48Å; Q380-D384 PolarHBondContact O-N 2.9Å; D384-R388 PolarHBondContact O-N 3.37Å
385E87.8Confident90.8Very high3 Ų330.7 Ų30.71%0.01416%0.16CC..Hα-helixtrans-75.2-35.7175.3-171.960-173.200113.1V63 T64 N65 L171 Q381 I382 L383 E387 R388 S389V63-E385 VanDerWaalsContact O-OE2 3.14Å; T64-E385 VanDerWaalsContact CA-OE2 3.29Å; T64-E385 WeakPolarHBondContact CA-OE2 3.27Å; T64-E385 VanDerWaalsContact CB-OE2 3.26Å; T64-E385 WeakPolarHBondContact CB-OE2 3.29Å; T64-E385 PolarHBondContact OG1-OE1 2.95Å; T64-E385 PolarHBondContact OG1-OE2 3.44Å; N65-E385 PolarHBondContact N-OE1 3.39Å; L171-E385 HydrophobicContact CB-CG 4.13Å; Q381-E385 PolarHBondContact O-N 3.45Å; I382-E385 PolarHBondContact O-N 3.4Å; L383-E385 VanDerWaalsContact C-N 3.3Å; L383-E385 PolarHBondContact O-N 2.89Å; E385-E387 VanDerWaalsContact C-N 3.35Å; E385-R388 PolarHBondContact O-N 3.25Å; E385-R388 IonicContact OE2-CZ 3.91Å; E385-R388 VanDerWaalsContact OE2-CZ 3.31Å; E385-R388 IonicContact OE2-NE 2.68Å; E385-R388 PolarHBondContact OE2-NE 3.14Å; E385-R388 IonicContact OE2-NH2 2.87Å; E385-R388 PolarHBondContact OE2-NH2 3.04Å; E385-S389 VanDerWaalsContact O-CB 3.27Å; E385-S389 WeakPolarHBondContact O-CB 3.44Å; E385-S389 PolarHBondContact O-N 3.22Å; E385-S389 PolarHBondContact O-OG 2.92Å
386A91.4Very high90.7Very high0 Ų030.8 Ų30.80%016%0.16CC..Hα-helixtrans-64-40.5173.700000111.6L172 L209 L375 I382 L383 S389 L390L172-A386 HydrophobicContact CD2-CB 3.86Å; L172-A386 HydrophobicContact CG-CB 4.47Å; L209-A386 HydrophobicContact CD2-CB 3.95Å; L375-A386 HydrophobicContact CD1-CB 4.32Å; I382-A386 VanDerWaalsContact O-CB 3.23Å; I382-A386 WeakPolarHBondContact O-CB 3.36Å; I382-A386 PolarHBondContact O-N 3.24Å; L383-A386 PolarHBondContact O-N 3.48Å; A386-S389 PolarHBondContact O-N 3.36Å; A386-L390 WeakPolarHBondContact O-CB 3.37Å; A386-L390 PolarHBondContact O-N 2.77Å
387E91.6Very high90.7Very high62 Ų6229.2 Ų29.229%0.2915%0.154SC..Hα-helixtrans-61.2-48.8174.6177.7-178.7-151.800111.4V201 K203 L375 L383 E385 L390 H391V201-E387 HydrophobicContact CG1-CG 4.17Å; K203-E387 HydrophobicContact CD-CB 4.08Å; K203-E387 VanDerWaalsContact CD-OE2 3.23Å; K203-E387 WeakPolarHBondContact CD-OE2 3.36Å; K203-E387 WeakPolarHBondContact CE-OE2 3.26Å; K203-E387 IonicContact NZ-OE2 3.5Å; K203-E387 PolarHBondContact NZ-OE2 3.22Å; L375-E387 HydrophobicContact CD1-CB 3.92Å; L383-E387 WeakPolarHBondContact O-CB 3.29Å; L383-E387 PolarHBondContact O-N 3.03Å; E385-E387 VanDerWaalsContact C-N 3.35Å; E387-L390 PolarHBondContact O-N 3.28Å; E387-H391 WeakPolarHBondContact O-CB 3.23Å; E387-H391 PolarHBondContact O-N 3.02Å
388R88.9Confident90.6Very high53 Ų5329.4 Ų29.420%0.216%0.156CC..Hα-helixtrans-60-50175.5-75.4-172.9-71-100.3-1.1111.8V63 D384 E385 L390 H391 D392V63-R388 PolarHBondContact O-NH2 3.17Å; V63-R388 VanDerWaalsContact O-NH2 3.09Å; D384-R388 PolarHBondContact O-N 3.37Å; E385-R388 PolarHBondContact O-N 3.25Å; E385-R388 IonicContact OE2-CZ 3.91Å; E385-R388 VanDerWaalsContact OE2-CZ 3.31Å; E385-R388 IonicContact OE2-NE 2.68Å; E385-R388 PolarHBondContact OE2-NE 3.14Å; E385-R388 IonicContact OE2-NH2 2.87Å; E385-R388 PolarHBondContact OE2-NH2 3.04Å; R388-L390 VanDerWaalsContact C-N 3.25Å; R388-L390 PolarHBondContact O-N 3.4Å; R388-H391 WeakPolarHBondContact O-CB 3.35Å; R388-H391 PolarHBondContact O-N 2.68Å; R388-D392 VanDerWaalsContact O-CG 3.23Å; R388-D392 PolarHBondContact O-N 3.39Å
389S90.1Very high90.6Very high0 Ų027.6 Ų27.60%014%0.135CC..Hα-helixtrans-57.7-40.1179.7-60.60000112.5L167 K170 E385 A386 A393L167-S389 WeakPolarHBondContact CD2-O 3.46Å; K170-S389 WeakPolarHBondContact CB-OG 3.27Å; K170-S389 WeakPolarHBondContact CD-OG 3.43Å; E385-S389 VanDerWaalsContact O-CB 3.27Å; E385-S389 WeakPolarHBondContact O-CB 3.44Å; E385-S389 PolarHBondContact O-N 3.22Å; E385-S389 PolarHBondContact O-OG 2.92Å; A386-S389 PolarHBondContact O-N 3.36Å; S389-A393 PolarHBondContact O-N 3.08Å
390L92.3Very high90.6Very high0 Ų025 Ų250%012%0.119CC..Hα-helixtrans-71.5-40.1176.3-178.764.2000111.5A183 V201 I373 L375 A386 E387 R388 D392 A393 L394A183-L390 HydrophobicContact CB-CD1 4.02Å; V201-L390 HydrophobicContact CG2-CD2 4.4Å; I373-L390 HydrophobicContact CB-CD2 4.43Å; I373-L390 HydrophobicContact CD1-CD2 3.87Å; I373-L390 HydrophobicContact CG2-CD2 3.82Å; L375-L390 HydrophobicContact CD1-CD2 4.42Å; L375-L390 HydrophobicContact CD2-CD2 4.08Å; A386-L390 WeakPolarHBondContact O-CB 3.37Å; A386-L390 PolarHBondContact O-N 2.77Å; E387-L390 PolarHBondContact O-N 3.28Å; R388-L390 VanDerWaalsContact C-N 3.25Å; R388-L390 PolarHBondContact O-N 3.4Å; L390-D392 VanDerWaalsContact C-N 3.35Å; L390-D392 PolarHBondContact O-N 3.22Å; L390-A393 PolarHBondContact O-N 3.46Å; L390-L394 HydrophobicContact CD1-CG 4.39Å; L390-L394 HydrophobicContact CG-CD1 4.1Å; L390-L394 HydrophobicContact CG-CG 4.32Å; L390-L394 VanDerWaalsContact O-CG 3.27Å; L390-L394 WeakPolarHBondContact O-CG 3.41Å; L390-L394 PolarHBondContact O-N 3.18Å
391H90.8Very high90.5Very high91 Ų9123.6 Ų23.642%0.42112%0.116SC..Hα-helixtrans-56.6-49175.9-177.868.7000111.2E387 R388 A393 L394 C395E387-H391 WeakPolarHBondContact O-CB 3.23Å; E387-H391 PolarHBondContact O-N 3.02Å; R388-H391 WeakPolarHBondContact O-CB 3.35Å; R388-H391 PolarHBondContact O-N 2.68Å; H391-A393 VanDerWaalsContact C-N 3.31Å; H391-A393 PolarHBondContact O-N 2.95Å; H391-L394 WeakPolarHBondContact O-CB 3.48Å; H391-L394 PolarHBondContact O-N 3.49Å; H391-L394 VanDerWaalsContact O-N 3.08Å; H391-C395 VanDerWaalsContact CE1-SG 3.59Å; H391-C395 PolarHBondContact NE2-SG 2.99Å; H391-C395 VanDerWaalsContact NE2-SG 3.45Å; H391-C395 PolarHBondContact O-N 3.35Å; H391-C395 PolarHBondContact O-SG 3.05Å
392D90.4Very high90.5Very high6 Ų625.2 Ų25.23%0.03212%0.121CC..Hα-helixtrans-58.4-43.6178.2-57.4-11.1000111.5G96 T166 K170 R388 L390 C395 V396G96-D392 WeakPolarHBondContact O-CA 3.37Å; G96-D392 VanDerWaalsContact O-CB 3.25Å; G96-D392 WeakPolarHBondContact O-CB 3.34Å; T166-D392 HydrophobicContact CG2-CB 4.4Å; K170-D392 VanDerWaalsContact NZ-CG 3.33Å; K170-D392 IonicContact NZ-OD2 3.2Å; K170-D392 PolarHBondContact NZ-OD2 3.14Å; R388-D392 VanDerWaalsContact O-CG 3.23Å; R388-D392 PolarHBondContact O-N 3.39Å; L390-D392 VanDerWaalsContact C-N 3.35Å; L390-D392 PolarHBondContact O-N 3.22Å; D392-C395 PolarHBondContact O-N 3.38Å; D392-V396 WeakPolarHBondContact O-CG2 3.37Å; D392-V396 PolarHBondContact O-N 3.02Å
393A92.2Very high90.6Very high1 Ų124.9 Ų24.91%0.00812%0.119CC..Hα-helixtrans-63.4-43.2175.800000111.8T166 L167 S389 L390 H391 C395 V396 L397T166-A393 HydrophobicContact CG2-CB 4.43Å; L167-A393 HydrophobicContact CD1-CB 4.5Å; L167-A393 HydrophobicContact CD2-CB 4.01Å; L167-A393 HydrophobicContact CG-CB 4.12Å; S389-A393 PolarHBondContact O-N 3.08Å; L390-A393 PolarHBondContact O-N 3.46Å; H391-A393 VanDerWaalsContact C-N 3.31Å; H391-A393 PolarHBondContact O-N 2.95Å; A393-C395 VanDerWaalsContact C-N 3.34Å; A393-C395 PolarHBondContact O-N 3.38Å; A393-V396 PolarHBondContact O-N 3.36Å; A393-L397 WeakPolarHBondContact O-CB 3.41Å; A393-L397 WeakPolarHBondContact O-CG 3.48Å; A393-L397 PolarHBondContact O-N 3.16Å
394L92.9Very high90.5Very high4 Ų425.9 Ų25.92%0.02113%0.125CC..Hα-helixtrans-62.6-41.1176.4-69172.8000111.4A183 A186 V187 L196 I199 I373 L390 H391 L397 A398A183-L394 HydrophobicContact CB-CD2 4.05Å; A186-L394 HydrophobicContact CB-CD2 4.19Å; V187-L394 HydrophobicContact CG2-CD2 3.74Å; L196-L394 HydrophobicContact CD2-CB 3.72Å; L196-L394 WeakPolarHBondContact CD2-O 3.37Å; I199-L394 HydrophobicContact CD1-CD1 4.11Å; I199-L394 HydrophobicContact CD1-CD2 3.72Å; I199-L394 HydrophobicContact CD1-CG 4.4Å; I199-L394 HydrophobicContact CG2-CD1 3.99Å; I373-L394 HydrophobicContact CD1-CD1 4.34Å; L390-L394 HydrophobicContact CD1-CG 4.39Å; L390-L394 HydrophobicContact CG-CD1 4.1Å; L390-L394 HydrophobicContact CG-CG 4.32Å; L390-L394 VanDerWaalsContact O-CG 3.27Å; L390-L394 WeakPolarHBondContact O-CG 3.41Å; L390-L394 PolarHBondContact O-N 3.18Å; H391-L394 WeakPolarHBondContact O-CB 3.48Å; H391-L394 PolarHBondContact O-N 3.49Å; H391-L394 VanDerWaalsContact O-N 3.08Å; L394-L397 PolarHBondContact O-N 3.13Å; L394-A398 VanDerWaalsContact O-CB 3.24Å; L394-A398 WeakPolarHBondContact O-CB 3.47Å; L394-A398 PolarHBondContact O-N 3.14Å
395C91.1Very high90.7Very high9 Ų927 Ų276%0.06113%0.126CC..Hα-helixtrans-59.5-51.9176.8-70.20000111.7V95 L196 H391 D392 A393 L397 A398 Q399V95-C395 WeakPolarHBondContact O-CB 3.48Å; L196-C395 HydrophobicContact CD1-CB 4.29Å; L196-C395 WeakPolarHBondContact CD1-SG 3.23Å; H391-C395 VanDerWaalsContact CE1-SG 3.59Å; H391-C395 PolarHBondContact NE2-SG 2.99Å; H391-C395 VanDerWaalsContact NE2-SG 3.45Å; H391-C395 PolarHBondContact O-N 3.35Å; H391-C395 PolarHBondContact O-SG 3.05Å; D392-C395 PolarHBondContact O-N 3.38Å; A393-C395 VanDerWaalsContact C-N 3.34Å; A393-C395 PolarHBondContact O-N 3.38Å; C395-L397 VanDerWaalsContact C-N 3.34Å; C395-L397 PolarHBondContact O-N 3.28Å; C395-A398 PolarHBondContact O-N 3.43Å; C395-Q399 WeakPolarHBondContact O-CG 3.32Å; C395-Q399 PolarHBondContact O-N 3.17Å
396V92.1Very high91Very high1 Ų127 Ų271%0.00613%0.127CC..Hα-helixtrans-61.5-43.8179.8177.40000111.3D97 I162 D392 A393 Q399 T400 V499D97-V396 HydrophobicContact CB-CG2 3.18Å; I162-V396 HydrophobicContact CG2-CG1 3.41Å; I162-V396 VanDerWaalsContact CG2-CG1 3.41Å; D392-V396 WeakPolarHBondContact O-CG2 3.37Å; D392-V396 PolarHBondContact O-N 3.02Å; A393-V396 PolarHBondContact O-N 3.36Å; V396-Q399 PolarHBondContact O-N 3.29Å; V396-T400 WeakPolarHBondContact O-CB 3.24Å; V396-T400 PolarHBondContact O-N 3.39Å; V396-T400 PolarHBondContact O-OG1 2.9Å; V396-V499 HydrophobicContact CG1-CG2 4.17Å; V396-V499 HydrophobicContact CG2-CG2 4.12Å
397L92.3Very high91.2Very high2 Ų227.2 Ų27.21%0.0113%0.128CC..Hα-helixtrans-64.8-45.1178.8-69.1174000111.5L159 I162 A163 A183 V184 V187 A393 L394 C395 Q399 T400 V401L159-L397 HydrophobicContact CB-CD2 3.86Å; L159-L397 HydrophobicContact CD2-CD2 3.66Å; L159-L397 HydrophobicContact CG-CD2 4.32Å; L159-L397 VanDerWaalsContact O-CD2 3.25Å; L159-L397 WeakPolarHBondContact O-CD2 3.39Å; I162-L397 HydrophobicContact CG2-CD2 4.44Å; A163-L397 HydrophobicContact CB-CD1 4.14Å; A163-L397 HydrophobicContact CB-CD2 4.29Å; A183-L397 HydrophobicContact CB-CD1 3.65Å; V184-L397 HydrophobicContact CG2-CD1 3.97Å; V184-L397 HydrophobicContact CG2-CD2 4.21Å; V187-L397 HydrophobicContact CB-CB 4.33Å; V187-L397 HydrophobicContact CG1-CB 4.23Å; V187-L397 HydrophobicContact CG2-CB 3.84Å; V187-L397 HydrophobicContact CG2-CD1 4.31Å; A393-L397 WeakPolarHBondContact O-CB 3.41Å; A393-L397 WeakPolarHBondContact O-CG 3.48Å; A393-L397 PolarHBondContact O-N 3.16Å; L394-L397 PolarHBondContact O-N 3.13Å; C395-L397 VanDerWaalsContact C-N 3.34Å; C395-L397 PolarHBondContact O-N 3.28Å; L397-Q399 VanDerWaalsContact C-N 3.29Å; L397-Q399 PolarHBondContact O-N 3.09Å; L397-T400 PolarHBondContact O-N 2.96Å; L397-T400 VanDerWaalsContact O-N 3.15Å; L397-V401 VanDerWaalsContact O-CG2 3.31Å; L397-V401 WeakPolarHBondContact O-CG2 3.39Å; L397-V401 PolarHBondContact O-N 3.25Å
398A90.8Very high91.4Very high4 Ų427 Ų273%0.03313%0.125CC..Hα-helixtrans-62.6-36.4178.500000112.4L196 L394 C395L196-A398 HydrophobicContact CD2-CB 3.9Å; L196-A398 HydrophobicContact CG-CB 4.25Å; L394-A398 VanDerWaalsContact O-CB 3.24Å; L394-A398 WeakPolarHBondContact O-CB 3.47Å; L394-A398 PolarHBondContact O-N 3.14Å; C395-A398 PolarHBondContact O-N 3.43Å
399Q89.1Confident91.6Very high38 Ų3824.5 Ų24.518%0.17812%0.115CC..Hα-helixtrans-71.2-39.4173-67.9-62.5-11.800111.8E94 C395 V396 L397 V401 K402 E403E94-Q399 PolarHBondContact O-NE2 3.21Å; E94-Q399 VanDerWaalsContact O-NE2 3.07Å; C395-Q399 WeakPolarHBondContact O-CG 3.32Å; C395-Q399 PolarHBondContact O-N 3.17Å; V396-Q399 PolarHBondContact O-N 3.29Å; L397-Q399 VanDerWaalsContact C-N 3.29Å; L397-Q399 PolarHBondContact O-N 3.09Å; Q399-V401 VanDerWaalsContact C-N 3.27Å; Q399-V401 PolarHBondContact O-N 3.02Å; Q399-K402 CarbonylContact O-C 3.54Å; Q399-K402 WeakPolarHBondContact O-CA 3.17Å; Q399-K402 WeakPolarHBondContact O-CB 3.26Å; Q399-K402 PolarHBondContact O-N 3.37Å; Q399-E403 PolarHBondContact O-N 3.02Å
400T90.4Very high91.6Very high0 Ų025.3 Ų25.30%012%0.124CC..Hα-helixtrans-65.7-29.4177-53.30000112.1F155 L159 I162 V396 L397 K402 E403 P404 S496F155-T400 HydrophobicContact CE2-CG2 4.45Å; L159-T400 HydrophobicContact CD2-CG2 3.81Å; I162-T400 HydrophobicContact CD1-CG2 3.76Å; V396-T400 WeakPolarHBondContact O-CB 3.24Å; V396-T400 PolarHBondContact O-N 3.39Å; V396-T400 PolarHBondContact O-OG1 2.9Å; L397-T400 PolarHBondContact O-N 2.96Å; L397-T400 VanDerWaalsContact O-N 3.15Å; T400-K402 VanDerWaalsContact C-N 3.28Å; T400-K402 PolarHBondContact O-N 3.11Å; T400-E403 CarbonylContact C-O 3.53Å; T400-E403 WeakPolarHBondContact CA-O 3.39Å; T400-E403 CarbonylContact O-C 3.6Å; T400-E403 PolarHBondContact O-N 3.36Å; T400-P404 WeakPolarHBondContact O-CA 3.47Å; T400-S496 WeakPolarHBondContact OG1-CB 3.36Å; T400-S496 PolarHBondContact OG1-OG 2.8Å
401V88.4Confident91.6Very high46 Ų4625.4 Ų25.428%0.27912%0.124SC..Hα-helixtrans-65.3-32170.3176.40000112.2L159 V187 L397 Q399L159-V401 HydrophobicContact CD1-CG2 4.49Å; V187-V401 HydrophobicContact CG1-CG2 3.69Å; L397-V401 VanDerWaalsContact O-CG2 3.31Å; L397-V401 WeakPolarHBondContact O-CG2 3.39Å; L397-V401 PolarHBondContact O-N 3.25Å; Q399-V401 VanDerWaalsContact C-N 3.27Å; Q399-V401 PolarHBondContact O-N 3.02Å
402K87.7Confident91.8Very high120 Ų12021.2 Ų21.252%0.52211%0.105SC..Hα-helixtrans-80-36.3174.8-64.2176.5-174.2168.20112.1Q399 T400Q399-K402 CarbonylContact O-C 3.54Å; Q399-K402 WeakPolarHBondContact O-CA 3.17Å; Q399-K402 WeakPolarHBondContact O-CB 3.26Å; Q399-K402 PolarHBondContact O-N 3.37Å; T400-K402 VanDerWaalsContact C-N 3.28Å; T400-K402 PolarHBondContact O-N 3.11Å
403E89.9Confident92Very high41 Ų4121.1 Ų21.119%0.19211%0.105CC..SBendtrans-126.190.2-178.9-178.661.4-101.900109.2Q399 T400 R405 F497 Q498Q399-E403 PolarHBondContact O-N 3.02Å; T400-E403 CarbonylContact C-O 3.53Å; T400-E403 WeakPolarHBondContact CA-O 3.39Å; T400-E403 CarbonylContact O-C 3.6Å; T400-E403 PolarHBondContact O-N 3.36Å; E403-R405 PolarHBondContact O-N 2.94Å; E403-R405 IonicContact OE1-CZ 3.67Å; E403-R405 IonicContact OE1-NE 2.69Å; E403-R405 PolarHBondContact OE1-NE 3.33Å; E403-R405 IonicContact OE1-NH2 2.65Å; E403-R405 PolarHBondContact OE1-NH2 3.47Å; E403-R405 IonicContact OE2-CZ 3.41Å; E403-R405 IonicContact OE2-NE 2.77Å; E403-R405 IonicContact OE2-NH2 2.8Å; E403-R405 PolarHBondContact OE2-NH2 2.95Å; E403-F497 HydrophobicContact CG-CD1 4.36Å; E403-Q498 HydrophobicContact CG-CB 4.39Å
404P90.4Very high92.2Very high21 Ų2121.3 Ų21.314%0.13611%0.106CC..  trans-74.60.5-167.330.9-37.2000114.6F155 T400F155-P404 HydrophobicContact CD2-CB 4.39Å; F155-P404 HydrophobicContact CE2-CB 3.64Å; F155-P404 HydrophobicContact CZ-CB 4.22Å; T400-P404 WeakPolarHBondContact O-CA 3.47Å
405R94.4Very high92.3Very high65 Ų6521.3 Ų21.325%0.24511%0.106CC..EExtended strand (participates in β ladder)trans-72.5132.9-178.6-77.4-179.2-71.9-170.8-6.5111.7A145 A146 D147 E403 F497A145-R405 HydrophobicContact CB-CB 4.19Å; A145-R405 HydrophobicContact CB-CG 4.46Å; A146-R405 CarbonylContact O-C 3.6Å; A146-R405 VanDerWaalsContact O-CA 3.29Å; A146-R405 WeakPolarHBondContact O-CA 3.45Å; D147-R405 HydrophobicContact CB-CG 4.08Å; E403-R405 PolarHBondContact O-N 2.94Å; E403-R405 IonicContact OE1-CZ 3.67Å; E403-R405 IonicContact OE1-NE 2.69Å; E403-R405 PolarHBondContact OE1-NE 3.33Å; E403-R405 IonicContact OE1-NH2 2.65Å; E403-R405 PolarHBondContact OE1-NH2 3.47Å; E403-R405 IonicContact OE2-CZ 3.41Å; E403-R405 IonicContact OE2-NE 2.77Å; E403-R405 IonicContact OE2-NH2 2.8Å; E403-R405 PolarHBondContact OE2-NH2 2.95Å; R405-F497 HydrophobicContact CB-CB 3.7Å; R405-F497 HydrophobicContact CB-CD1 4.15Å; R405-F497 HydrophobicContact CB-CG 4.06Å; R405-F497 WeakPolarHBondContact O-CB 3.43Å; R405-F497 PolarHBondContact O-N 3Å
406T94.7Very high92.5Very high4 Ų421.8 Ų21.83%0.02511%0.108CC..EExtended strand (participates in β ladder)trans-119.3154.1179.466.20000111.1A145 A146 D158 I162A145-T406 CarbonylContact C-O 3.06Å; A145-T406 VanDerWaalsContact CA-O 3.31Å; A145-T406 WeakPolarHBondContact CA-O 3.49Å; A146-T406 PolarHBondContact N-O 3.33Å; A146-T406 PolarHBondContact O-N 3.13Å; D158-T406 HydrophobicContact CB-CG2 4.28Å; I162-T406 HydrophobicContact CD1-CG2 3.81Å
407V95.3Very high92.7Very high4 Ų421.8 Ų21.82%0.02411%0.107CC..EExtended strand (participates in β ladder)trans-136.7160.3177.2-67.50000110L141 A145 T494 E495 F497 K500L141-V407 HydrophobicContact CD1-CB 4.44Å; L141-V407 HydrophobicContact CD1-CG1 3.97Å; L141-V407 HydrophobicContact CD1-CG2 4.49Å; L141-V407 HydrophobicContact CG-CG1 4.47Å; A145-V407 HydrophobicContact CB-CG1 3.93Å; V407-T494 WeakPolarHBondContact O-CA 3.4Å; V407-E495 HydrophobicContact CG2-CB 4.45Å; V407-E495 PolarHBondContact N-O 3.44Å; V407-E495 PolarHBondContact O-N 2.89Å; V407-F497 HydrophobicContact CG1-CB 4.22Å; V407-F497 HydrophobicContact CG1-CD2 4.02Å; V407-K500 HydrophobicContact CG2-CB 4.32Å; V407-K500 HydrophobicContact CG2-CG 3.79Å
408Y94.8Very high92.9Very high58 Ų5821.8 Ų21.823%0.22711%0.108CC..EExtended strand (participates in β ladder)trans-80.9132.5179.3-58.7-55.2000112.1S413 T475 M488 V489 T494Y408-S413 PolarHBondContact O-N 3.2Å; Y408-S413 PolarHBondContact O-OG 3.38Å; Y408-T475 HydrophobicContact CD2-CG2 4.2Å; Y408-T475 HydrophobicContact CE2-CG2 3.79Å; Y408-M488 HydrophobicContact CD1-CB 4.1Å; Y408-M488 HydrophobicContact CG-CB 4.12Å; Y408-V489 HydrophobicContact CD1-CG2 4.24Å; Y408-V489 HydrophobicContact CE1-CB 4.43Å; Y408-V489 HydrophobicContact CE1-CG2 3.46Å; Y408-V489 VanDerWaalsContact CE1-CG2 3.46Å; Y408-V489 HydrophobicContact CE2-CG2 4.02Å; Y408-V489 WeakPolarHBondContact OH-CG2 3.44Å; Y408-T494 HydrophobicContact CD1-CG2 4.39Å; Y408-T494 HydrophobicContact CE1-CG2 4.46Å
409G93Very high93.1Very high0 Ų023.3 Ų23.30%011%0.114CC..THydrogen-bonded Turntrans-88.2-151.8-178.400000114.1G411 C412 I493 E495G409-G411 VanDerWaalsContact C-N 3.26Å; G409-G411 PolarHBondContact O-N 3.01Å; G409-C412 WeakPolarHBondContact O-CB 3.38Å; G409-C412 PolarHBondContact O-N 3.43Å; G409-I493 PolarHBondContact N-O 3.03Å; G409-I493 VanDerWaalsContact N-O 3.1Å; G409-E495 WeakPolarHBondContact CA-OE2 3.41Å
410G90.1Very high93.4Very high17 Ų1723.7 Ų23.718%0.17512%0.119CC..THydrogen-bonded Turntrans62.428.8173.300000114.5C412 L478G410-C412 VanDerWaalsContact C-N 3.29Å; G410-C412 PolarHBondContact O-N 3.05Å; G410-L478 PolarHBondContact O-N 3.3Å
411G92.4Very high93.7Very high1 Ų123.7 Ų23.71%0.0112%0.119CC..THydrogen-bonded Turntrans83.3-1.9-176.600000115G409 E414 M415G409-G411 VanDerWaalsContact C-N 3.26Å; G409-G411 PolarHBondContact O-N 3.01Å; G411-E414 VanDerWaalsContact C-OE2 3.3Å; G411-E414 WeakPolarHBondContact CA-OE2 3.45Å; G411-M415 WeakPolarHBondContact O-CB 3.16Å; G411-M415 PolarHBondContact O-N 3.38Å
412C94.9Very high94Very high3 Ų322.5 Ų22.52%0.0211%0.112CC..Hα-helixtrans-65.5-49.9-179.8-178.70000111.6G409 G410 E414 M415 L416 H469 T474 Y476 M488G409-C412 WeakPolarHBondContact O-CB 3.38Å; G409-C412 PolarHBondContact O-N 3.43Å; G410-C412 VanDerWaalsContact C-N 3.29Å; G410-C412 PolarHBondContact O-N 3.05Å; C412-E414 VanDerWaalsContact C-N 3.33Å; C412-E414 PolarHBondContact O-N 3.47Å; C412-M415 PolarHBondContact O-N 3.31Å; C412-L416 WeakPolarHBondContact O-CB 3.41Å; C412-L416 PolarHBondContact O-N 3.47Å; C412-H469 PolarHBondContact O-CE1 3.1Å; C412-T474 PolarHBondContact SG-O 3.36Å; C412-Y476 WeakPolarHBondContact CB-O 3.49Å; C412-Y476 PolarHBondContact SG-O 2.91Å; C412-M488 HydrophobicContact CB-CG 4.03Å
413S95.3Very high94.3Very high5 Ų520.2 Ų20.24%0.03511%0.106CC..Hα-helixtrans-60.1-42.3178.2-71.70000112.1Y408 L416 M417Y408-S413 PolarHBondContact O-N 3.2Å; Y408-S413 PolarHBondContact O-OG 3.38Å; S413-L416 PolarHBondContact O-N 2.92Å; S413-M417 WeakPolarHBondContact O-CE 3.36Å; S413-M417 WeakPolarHBondContact O-CG 2.94Å; S413-M417 PolarHBondContact O-N 3.32Å
414E95.6Very high94.5Very high4 Ų420.5 Ų20.52%0.01911%0.108CC..Hα-helixtrans-65.3-43.1178.7-65.773.2-166.200111.8G411 C412 M417 A418 L446 K500G411-E414 VanDerWaalsContact C-OE2 3.3Å; G411-E414 WeakPolarHBondContact CA-OE2 3.45Å; C412-E414 VanDerWaalsContact C-N 3.33Å; C412-E414 PolarHBondContact O-N 3.47Å; E414-M417 HydrophobicContact CG-CE 4.45Å; E414-M417 PolarHBondContact O-N 3.03Å; E414-A418 WeakPolarHBondContact O-CB 3.49Å; E414-A418 PolarHBondContact O-N 3.46Å; E414-L446 HydrophobicContact CG-CB 4.07Å; E414-L446 HydrophobicContact CG-CD1 3.56Å; E414-L446 HydrophobicContact CG-CG 4.47Å; E414-K500 WeakPolarHBondContact OE1-CD 3.34Å; E414-K500 VanDerWaalsContact OE1-CE 3.31Å; E414-K500 WeakPolarHBondContact OE1-CE 3.41Å; E414-K500 IonicContact OE1-NZ 3.88Å; E414-K500 PolarHBondContact OE1-NZ 3.33Å; E414-K500 IonicContact OE2-NZ 3.96Å
415M95.5Very high94.7Very high4 Ų419.8 Ų19.82%0.0210%0.104CC..Hα-helixtrans-66.7-40.5177.1-171.960.367.200111.9G411 C412 A418 K419 R444 V462 L465 R466 H469G411-M415 WeakPolarHBondContact O-CB 3.16Å; G411-M415 PolarHBondContact O-N 3.38Å; C412-M415 PolarHBondContact O-N 3.31Å; M415-A418 PolarHBondContact O-N 3.06Å; M415-K419 PolarHBondContact O-N 3.01Å; M415-R444 HydrophobicContact CE-CG 3.99Å; M415-R444 HydrophobicContact SD-CG 4.08Å; M415-V462 HydrophobicContact CE-CG1 3.93Å; M415-L465 HydrophobicContact CB-CD2 4.23Å; M415-L465 HydrophobicContact CB-CG 4.4Å; M415-L465 HydrophobicContact CE-CB 4.32Å; M415-L465 HydrophobicContact CE-CD2 3.82Å; M415-L465 HydrophobicContact CE-CG 3.98Å; M415-L465 HydrophobicContact CG-CD2 4.42Å; M415-L465 HydrophobicContact CG-CG 4.13Å; M415-R466 HydrophobicContact CE-CB 4.17Å; M415-R466 HydrophobicContact SD-CB 3.98Å; M415-R466 HydrophobicContact SD-CG 4.39Å; M415-H469 HydrophobicContact CG-CB 3.85Å; M415-H469 VanDerWaalsContact CG-CG 3.46Å
416L95.5Very high94.7Very high20 Ų2023 Ų2311%0.10513%0.126CC..Hα-helixtrans-59-50175179.272.2000110.8A144 C412 S413 A418 K419 V420 T474A144-L416 HydrophobicContact CB-CD2 3.36Å; C412-L416 WeakPolarHBondContact O-CB 3.41Å; C412-L416 PolarHBondContact O-N 3.47Å; S413-L416 PolarHBondContact O-N 2.92Å; L416-A418 VanDerWaalsContact C-N 3.32Å; L416-A418 PolarHBondContact O-N 3.32Å; L416-K419 WeakPolarHBondContact O-CB 3.3Å; L416-K419 PolarHBondContact O-N 2.88Å; L416-V420 PolarHBondContact O-N 3.08Å; L416-T474 HydrophobicContact CD1-CG2 3.76Å
417M95.9Very high94.7Very high0 Ų032.7 Ų32.70%016%0.162CC..Hα-helixtrans-59.5-43.6176.3-71.1-174.4-68.100111.3A137 L141 S413 E414 K419 V420 V421 L443 L504A137-M417 HydrophobicContact CB-CB 3.96Å; A137-M417 HydrophobicContact CB-CG 4Å; A137-M417 HydrophobicContact CB-SD 4.06Å; L141-M417 HydrophobicContact CB-SD 4.34Å; S413-M417 WeakPolarHBondContact O-CE 3.36Å; S413-M417 WeakPolarHBondContact O-CG 2.94Å; S413-M417 PolarHBondContact O-N 3.32Å; E414-M417 HydrophobicContact CG-CE 4.45Å; E414-M417 PolarHBondContact O-N 3.03Å; M417-K419 VanDerWaalsContact C-N 3.34Å; M417-K419 PolarHBondContact O-N 2.66Å; M417-V420 PolarHBondContact O-N 3.46Å; M417-V421 WeakPolarHBondContact O-CB 3.32Å; M417-V421 VanDerWaalsContact O-CG2 3.27Å; M417-V421 WeakPolarHBondContact O-CG2 3.4Å; M417-V421 PolarHBondContact O-N 3.27Å; M417-L443 HydrophobicContact CB-CD1 3.7Å; M417-L443 HydrophobicContact CE-CD2 4.09Å; M417-L504 HydrophobicContact SD-CD1 4.11Å; M417-L504 HydrophobicContact SD-CD2 3.88Å; M417-L504 HydrophobicContact SD-CG 4.44Å
418A96Very high94.6Very high2 Ų233.9 Ų33.92%0.01717%0.17CC..Hα-helixtrans-61.9-39.5178.600000112.5E414 M415 L416 S422 A440 L443 R444E414-A418 WeakPolarHBondContact O-CB 3.49Å; E414-A418 PolarHBondContact O-N 3.46Å; M415-A418 PolarHBondContact O-N 3.06Å; L416-A418 VanDerWaalsContact C-N 3.32Å; L416-A418 PolarHBondContact O-N 3.32Å; A418-S422 WeakPolarHBondContact O-CB 3.37Å; A418-S422 PolarHBondContact O-N 3.24Å; A418-S422 PolarHBondContact O-OG 2.91Å; A418-A440 HydrophobicContact CB-CB 4.3Å; A418-A440 WeakPolarHBondContact O-CB 3.39Å; A418-L443 HydrophobicContact CB-CB 4.04Å; A418-L443 HydrophobicContact CB-CD1 4.36Å; A418-R444 HydrophobicContact CB-CG 3.86Å
419K95.3Very high94.4Very high36 Ų3636.6 Ų36.616%0.15719%0.194CC..Hα-helixtrans-60-54.4175.8178.1-173.5174.6-177.20111.1M415 L416 M417 V421 S422 D423 H469 N472M415-K419 PolarHBondContact O-N 3.01Å; L416-K419 WeakPolarHBondContact O-CB 3.3Å; L416-K419 PolarHBondContact O-N 2.88Å; M417-K419 VanDerWaalsContact C-N 3.34Å; M417-K419 PolarHBondContact O-N 2.66Å; K419-V421 VanDerWaalsContact C-N 3.31Å; K419-V421 PolarHBondContact O-N 2.68Å; K419-S422 WeakPolarHBondContact O-CB 3.4Å; K419-S422 PolarHBondContact O-N 2.9Å; K419-S422 VanDerWaalsContact O-N 3.1Å; K419-D423 PolarHBondContact O-N 3.37Å; K419-H469 WeakPolarHBondContact CD-O 3.45Å; K419-H469 WeakPolarHBondContact CE-O 3.32Å; K419-H469 PolarHBondContact NZ-O 3.14Å; K419-N472 PolarHBondContact NZ-OD1 3.02Å
420V95.5Very high94.3Very high47 Ų4739.4 Ų39.429%0.28522%0.223SC..Hα-helixtrans-64.2-38.2-176.2-174.50000111.2V136 A140 L416 M417 D423 L424V136-V420 HydrophobicContact CG1-CB 4.41Å; V136-V420 HydrophobicContact CG1-CG1 3.39Å; A140-V420 HydrophobicContact CB-CB 4.19Å; A140-V420 HydrophobicContact CB-CG1 4.34Å; A140-V420 HydrophobicContact CB-CG2 3.84Å; L416-V420 PolarHBondContact O-N 3.08Å; M417-V420 PolarHBondContact O-N 3.46Å; V420-D423 PolarHBondContact O-N 2.93Å; V420-L424 PolarHBondContact O-N 2.98Å
421V96.1Very high94.4Very high0 Ų045 Ų450%024%0.242CC..Hα-helixtrans-64.7-40.3174.2173.30000111.7A133 A137 M417 K419 L424 A425 M436 F439 A440A133-V421 HydrophobicContact CB-CG1 3.69Å; A133-V421 HydrophobicContact CB-CG2 4.11Å; A137-V421 HydrophobicContact CB-CG2 3.98Å; M417-V421 WeakPolarHBondContact O-CB 3.32Å; M417-V421 VanDerWaalsContact O-CG2 3.27Å; M417-V421 WeakPolarHBondContact O-CG2 3.4Å; M417-V421 PolarHBondContact O-N 3.27Å; K419-V421 VanDerWaalsContact C-N 3.31Å; K419-V421 PolarHBondContact O-N 2.68Å; V421-L424 PolarHBondContact O-N 2.87Å; V421-A425 WeakPolarHBondContact O-CB 3.22Å; V421-A425 PolarHBondContact O-N 2.79Å; V421-M436 HydrophobicContact CG1-CB 4.25Å; V421-M436 VanDerWaalsContact CG1-O 3.26Å; V421-M436 WeakPolarHBondContact CG1-O 3.47Å; V421-F439 HydrophobicContact CG1-CB 4.43Å; V421-F439 HydrophobicContact CG1-CD1 4.28Å; V421-F439 HydrophobicContact CG2-CD1 4.31Å; V421-A440 HydrophobicContact CB-CB 4.21Å; V421-A440 HydrophobicContact CG1-CB 3.98Å
422S95.1Very high94.4Very high21 Ų2147.1 Ų47.115%0.14725%0.252CS..Hα-helixtrans-65.3-39.9176.8-54.90000111.7A418 K419 L424 A425 N426 A440A418-S422 WeakPolarHBondContact O-CB 3.37Å; A418-S422 PolarHBondContact O-N 3.24Å; A418-S422 PolarHBondContact O-OG 2.91Å; K419-S422 WeakPolarHBondContact O-CB 3.4Å; K419-S422 PolarHBondContact O-N 2.9Å; K419-S422 VanDerWaalsContact O-N 3.1Å; S422-L424 VanDerWaalsContact C-N 3.32Å; S422-L424 PolarHBondContact O-N 2.94Å; S422-A425 WeakPolarHBondContact O-CB 3.19Å; S422-A425 PolarHBondContact O-N 3.31Å; S422-N426 PolarHBondContact O-N 3.44Å; S422-N426 PolarHBondContact O-ND2 3.11Å; S422-A440 WeakPolarHBondContact OG-CB 3.48Å
423D94.5Very high94.3Very high71 Ų7147.8 Ų47.838%0.3826%0.258SS..Hα-helixtrans-64.6-38176.4-70.2-21.8000111.8K419 V420 R427K419-D423 PolarHBondContact O-N 3.37Å; V420-D423 PolarHBondContact O-N 2.93Å; D423-R427 WeakPolarHBondContact O-CG 3.44Å; D423-R427 PolarHBondContact O-N 3.37Å
424L94.6Very high94.3Very high47 Ų4750.4 Ų50.425%0.24627%0.274CS..Hα-helixtrans-66.4-41.7172.5-176.670.9000111.9V136 V420 V421 S422 N426 R427 T428 M436V136-L424 HydrophobicContact CB-CD2 4.16Å; V136-L424 HydrophobicContact CG1-CD2 4.44Å; V136-L424 HydrophobicContact CG2-CD2 3.73Å; V420-L424 PolarHBondContact O-N 2.98Å; V421-L424 PolarHBondContact O-N 2.87Å; S422-L424 VanDerWaalsContact C-N 3.32Å; S422-L424 PolarHBondContact O-N 2.94Å; L424-N426 VanDerWaalsContact C-N 3.31Å; L424-N426 PolarHBondContact O-N 2.96Å; L424-R427 PolarHBondContact O-N 3.21Å; L424-R427 VanDerWaalsContact O-N 3.14Å; L424-T428 WeakPolarHBondContact O-CB 3.27Å; L424-T428 PolarHBondContact O-N 3.46Å; L424-T428 PolarHBondContact O-OG1 2.77Å; L424-M436 HydrophobicContact CD2-CE 3.92Å; L424-M436 HydrophobicContact CD2-SD 4.01Å; L424-M436 HydrophobicContact CG-CE 4.37Å; L424-M436 HydrophobicContact CG-SD 4.08Å
425A95.1Very high94.2Very high6 Ų650.2 Ų50.25%0.0527%0.273CS..Hα-helixtrans-58.6-43.9177.600000111V421 S422 R427 T428 A433 M436 E437V421-A425 WeakPolarHBondContact O-CB 3.22Å; V421-A425 PolarHBondContact O-N 2.79Å; S422-A425 WeakPolarHBondContact O-CB 3.19Å; S422-A425 PolarHBondContact O-N 3.31Å; A425-R427 PolarHBondContact O-N 3.42Å; A425-T428 PolarHBondContact O-N 2.86Å; A425-A433 WeakPolarHBondContact O-CB 3.06Å; A425-M436 HydrophobicContact CB-CB 3.76Å; A425-E437 HydrophobicContact CB-CB 4.48Å
426N94.2Very high94.2Very high132 Ų13250.1 Ų50.171%0.70627%0.272SS*.Hα-helixtrans-61.7-28.2177.4-72.7-33.5000113.9S422 L424S422-N426 PolarHBondContact O-N 3.44Å; S422-N426 PolarHBondContact O-ND2 3.11Å; L424-N426 VanDerWaalsContact C-N 3.31Å; L424-N426 PolarHBondContact O-N 2.96Å
427R94.3Very high94.3Very high209 Ų20951.8 Ų51.879%0.78928%0.279SS*.Hα-helixtrans-89.4-20.1178.7-65174.5-173.5178.54.1113D423 L424 A425D423-R427 WeakPolarHBondContact O-CG 3.44Å; D423-R427 PolarHBondContact O-N 3.37Å; L424-R427 PolarHBondContact O-N 3.21Å; L424-R427 VanDerWaalsContact O-N 3.14Å; A425-R427 PolarHBondContact O-N 3.42Å
428T92.3Very high94.3Very high29 Ų2951.9 Ų51.918%0.17828%0.28CS..SBendtrans-87.1127.5-174.9-58.60000109.8L424 A425 E432 A433 M436L424-T428 WeakPolarHBondContact O-CB 3.27Å; L424-T428 PolarHBondContact O-N 3.46Å; L424-T428 PolarHBondContact O-OG1 2.77Å; A425-T428 PolarHBondContact O-N 2.86Å; T428-E432 HydrophobicContact CG2-CB 4.36Å; T428-A433 VanDerWaalsContact O-CB 3.25Å; T428-A433 WeakPolarHBondContact O-CB 3.42Å; T428-M436 HydrophobicContact CG2-CE 4.19Å; T428-M436 HydrophobicContact CG2-SD 4.2Å
429P90.5Very high94.3Very high115 Ų11551.8 Ų51.875%0.74728%0.279SS*.  trans-81.2149.4175.531-33.4000112.1
430G91.3Very high94.3Very high58 Ų5850 Ų5060%0.59827%0.272SS*.SBendtrans88.6-159.5166.500000115.3E432 A433G430-E432 VanDerWaalsContact C-N 3.3Å; G430-E432 PolarHBondContact O-N 3.24Å; G430-A433 WeakPolarHBondContact O-CB 3.45Å; G430-A433 PolarHBondContact O-N 3.46Å
431K91.8Very high94.4Very high134 Ų13451.7 Ų51.758%0.58328%0.275SS*.Hα-helixtrans-70.2-24.1-171-70-176.6-176.3-178.50113.8L121 T125 A433 V434 A435L121-K431 HydrophobicContact CD2-CB 3.75Å; L121-K431 HydrophobicContact CD2-CD 4.2Å; L121-K431 HydrophobicContact CD2-CG 4.14Å; T125-K431 HydrophobicContact CG2-CB 3.85Å; K431-A433 VanDerWaalsContact C-N 3.29Å; K431-A433 PolarHBondContact O-N 3.13Å; K431-V434 PolarHBondContact O-N 3.18Å; K431-A435 PolarHBondContact O-N 3.37Å
432E92.5Very high94.4Very high47 Ų4751.7 Ų51.722%0.2228%0.275CS..Hα-helixtrans-66.4-32.7177.9-62.4-171.3153.900112T125 S128 K132 T428 G430 V434 A435 M436T125-E432 HydrophobicContact CG2-CG 4.08Å; S128-E432 WeakPolarHBondContact CB-OE1 3.33Å; S128-E432 PolarHBondContact OG-OE1 2.98Å; K132-E432 IonicContact NZ-OE1 2.57Å; K132-E432 IonicContact NZ-OE2 3.53Å; K132-E432 PolarHBondContact NZ-OE2 3.19Å; T428-E432 HydrophobicContact CG2-CB 4.36Å; G430-E432 VanDerWaalsContact C-N 3.3Å; G430-E432 PolarHBondContact O-N 3.24Å; E432-V434 VanDerWaalsContact C-N 3.29Å; E432-V434 PolarHBondContact O-N 3.19Å; E432-A435 WeakPolarHBondContact O-CB 3.4Å; E432-A435 PolarHBondContact O-N 2.98Å; E432-A435 VanDerWaalsContact O-N 3.15Å; E432-M436 WeakPolarHBondContact O-CG 3.45Å; E432-M436 PolarHBondContact O-N 3.24Å
433A94.2Very high94.4Very high17 Ų1750.7 Ų50.714%0.1427%0.268CS..Hα-helixtrans-60.9-39.317600000112.2A425 T428 G430 K431 A435 M436 E437A425-A433 WeakPolarHBondContact O-CB 3.06Å; T428-A433 VanDerWaalsContact O-CB 3.25Å; T428-A433 WeakPolarHBondContact O-CB 3.42Å; G430-A433 WeakPolarHBondContact O-CB 3.45Å; G430-A433 PolarHBondContact O-N 3.46Å; K431-A433 VanDerWaalsContact C-N 3.29Å; K431-A433 PolarHBondContact O-N 3.13Å; A433-A435 VanDerWaalsContact C-N 3.3Å; A433-A435 PolarHBondContact O-N 2.97Å; A433-M436 PolarHBondContact O-N 2.85Å; A433-E437 WeakPolarHBondContact O-CB 3.16Å; A433-E437 PolarHBondContact O-N 3.39Å
434V94.6Very high94.5Very high60 Ų6049.1 Ų49.136%0.36426%0.257SS..Hα-helixtrans-65.5-36.3177.7-173.30000111.1L116 K431 E432 S438L116-V434 HydrophobicContact CD2-CG1 3.71Å; K431-V434 PolarHBondContact O-N 3.18Å; E432-V434 VanDerWaalsContact C-N 3.29Å; E432-V434 PolarHBondContact O-N 3.19Å; V434-S438 PolarHBondContact O-N 3.28Å; V434-S438 VanDerWaalsContact O-N 3.12Å
435A94.4Very high94.6Very high0 Ų049.4 Ų49.40%026%0.257CS..Hα-helixtrans-71.1-38.7175.100000112.2L116 I126 W130 K431 E432 A433 S438 F439L116-A435 HydrophobicContact CD1-CB 4.3Å; I126-A435 HydrophobicContact CB-CB 4.45Å; I126-A435 HydrophobicContact CG2-CB 4.28Å; W130-A435 PolarHBondContact NE1-O 3.48Å; K431-A435 PolarHBondContact O-N 3.37Å; E432-A435 WeakPolarHBondContact O-CB 3.4Å; E432-A435 PolarHBondContact O-N 2.98Å; E432-A435 VanDerWaalsContact O-N 3.15Å; A433-A435 VanDerWaalsContact C-N 3.3Å; A433-A435 PolarHBondContact O-N 2.97Å; A435-S438 PolarHBondContact O-N 3.32Å; A435-S438 PolarHBondContact O-OG 3.45Å; A435-F439 PolarHBondContact O-N 3.4Å
436M95.8Very high94.6Very high1 Ų149.2 Ų49.21%0.00526%0.256CS..Hα-helixtrans-62.7-43.1173-68.5168.7175.100111.6G129 K132 A133 V421 L424 A425 T428 E432 A433 S438 F439 A440G129-M436 WeakPolarHBondContact O-CG 3.41Å; K132-M436 HydrophobicContact CB-CE 3.45Å; K132-M436 VanDerWaalsContact CB-CE 3.45Å; K132-M436 HydrophobicContact CD-CE 3.58Å; K132-M436 HydrophobicContact CG-CE 4.16Å; A133-M436 HydrophobicContact CB-CG 4.34Å; V421-M436 HydrophobicContact CG1-CB 4.25Å; V421-M436 VanDerWaalsContact CG1-O 3.26Å; V421-M436 WeakPolarHBondContact CG1-O 3.47Å; L424-M436 HydrophobicContact CD2-CE 3.92Å; L424-M436 HydrophobicContact CD2-SD 4.01Å; L424-M436 HydrophobicContact CG-CE 4.37Å; L424-M436 HydrophobicContact CG-SD 4.08Å; A425-M436 HydrophobicContact CB-CB 3.76Å; T428-M436 HydrophobicContact CG2-CE 4.19Å; T428-M436 HydrophobicContact CG2-SD 4.2Å; E432-M436 WeakPolarHBondContact O-CG 3.45Å; E432-M436 PolarHBondContact O-N 3.24Å; A433-M436 PolarHBondContact O-N 2.85Å; M436-S438 VanDerWaalsContact C-N 3.27Å; M436-S438 PolarHBondContact O-N 3.29Å; M436-F439 VanDerWaalsContact O-CB 3.32Å; M436-F439 WeakPolarHBondContact O-CB 3.05Å; M436-F439 PolarHBondContact O-N 2.95Å; M436-F439 VanDerWaalsContact O-N 3.11Å; M436-A440 PolarHBondContact O-N 2.93Å
437E95.6Very high94.6Very high55 Ų5543 Ų4326%0.25722%0.222SC..Hα-helixtrans-61.5-37.4176.2-176.961.4-15400111.6A425 A433 F439 A440 K441 R444A425-E437 HydrophobicContact CB-CB 4.48Å; A433-E437 WeakPolarHBondContact O-CB 3.16Å; A433-E437 PolarHBondContact O-N 3.39Å; E437-F439 VanDerWaalsContact C-N 3.34Å; E437-A440 PolarHBondContact O-N 3.36Å; E437-K441 WeakPolarHBondContact O-CG 3.3Å; E437-K441 PolarHBondContact O-N 3.08Å; E437-R444 IonicContact OE1-NH2 2.74Å
438S96.2Very high94.7Very high2 Ų234 Ų341%0.01419%0.191CC..Hα-helixtrans-67.2-35.3175.392.40000112.1L116 W130 V434 A435 M436 K441 A442L116-S438 WeakPolarHBondContact CD1-OG 3.38Å; W130-S438 PolarHBondContact NE1-OG 2.87Å; W130-S438 VanDerWaalsContact NE1-OG 3.15Å; V434-S438 PolarHBondContact O-N 3.28Å; V434-S438 VanDerWaalsContact O-N 3.12Å; A435-S438 PolarHBondContact O-N 3.32Å; A435-S438 PolarHBondContact O-OG 3.45Å; M436-S438 VanDerWaalsContact C-N 3.27Å; M436-S438 PolarHBondContact O-N 3.29Å; S438-K441 WeakPolarHBondContact O-CB 3.31Å; S438-K441 PolarHBondContact O-N 3.2Å; S438-A442 PolarHBondContact O-N 2.7Å
439F96.6Very high94.9Very high0 Ų033 Ų330%018%0.184CC..Hα-helixtrans-63.3-44.4173.3-167-85.5000111.5L109 W130 A133 V421 A435 M436 E437 K441 A442 L443 L504L109-F439 HydrophobicContact CD1-CD2 4.44Å; L109-F439 HydrophobicContact CD1-CE2 4Å; L109-F439 HydrophobicContact CD2-CB 4.41Å; L109-F439 HydrophobicContact CD2-CD2 3.34Å; L109-F439 HydrophobicContact CD2-CE2 3.73Å; L109-F439 HydrophobicContact CD2-CG 4.01Å; W130-F439 HydrophobicContact CB-CD2 4.12Å; W130-F439 AromaticContact CD1-CD2 3.91Å; W130-F439 HydrophobicContact CD2-CD2 4.34Å; W130-F439 AromaticContact CG-CD2 3.89Å; W130-F439 HydrophobicContact CG-CD2 3.89Å; A133-F439 HydrophobicContact CB-CB 3.99Å; A133-F439 HydrophobicContact CB-CD1 3.75Å; A133-F439 HydrophobicContact CB-CD2 4.28Å; A133-F439 HydrophobicContact CB-CE1 4.29Å; A133-F439 HydrophobicContact CB-CG 3.75Å; V421-F439 HydrophobicContact CG1-CB 4.43Å; V421-F439 HydrophobicContact CG1-CD1 4.28Å; V421-F439 HydrophobicContact CG2-CD1 4.31Å; A435-F439 PolarHBondContact O-N 3.4Å; M436-F439 VanDerWaalsContact O-CB 3.32Å; M436-F439 WeakPolarHBondContact O-CB 3.05Å; M436-F439 PolarHBondContact O-N 2.95Å; M436-F439 VanDerWaalsContact O-N 3.11Å; E437-F439 VanDerWaalsContact C-N 3.34Å; F439-K441 VanDerWaalsContact C-N 3.27Å; F439-K441 PolarHBondContact O-N 2.79Å; F439-A442 PolarHBondContact O-N 2.86Å; F439-L443 HydrophobicContact CD1-CD1 3.84Å; F439-L443 HydrophobicContact CD1-CG 4.22Å; F439-L443 HydrophobicContact CE1-CD1 3.68Å; F439-L443 HydrophobicContact CE1-CG 4.03Å; F439-L443 PolarHBondContact O-N 2.98Å; F439-L504 HydrophobicContact CE1-CD1 4.03Å; F439-L504 HydrophobicContact CZ-CD1 3.78Å
440A96.3Very high95.1Very high0 Ų028.7 Ų28.70%015%0.154CC..Hα-helixtrans-65-28.917500000113.1A418 V421 S422 M436 E437 R444A418-A440 HydrophobicContact CB-CB 4.3Å; A418-A440 WeakPolarHBondContact O-CB 3.39Å; V421-A440 HydrophobicContact CB-CB 4.21Å; V421-A440 HydrophobicContact CG1-CB 3.98Å; S422-A440 WeakPolarHBondContact OG-CB 3.48Å; M436-A440 PolarHBondContact O-N 2.93Å; E437-A440 PolarHBondContact O-N 3.36Å; A440-R444 WeakPolarHBondContact O-CG 3.4Å; A440-R444 PolarHBondContact O-N 3.25Å; A440-R444 PolarHBondContact O-NE 2.8Å; A440-R444 VanDerWaalsContact O-NE 3.08Å
441K95.9Very high95.2Very high81 Ų8125.9 Ų25.935%0.35213%0.126SC..Hα-helixtrans-69.2-47.2171-73.6173.6-176.5178.90111.8E112 E437 S438 F439 L443 R444 M445E112-K441 HydrophobicContact CG-CB 4.45Å; E437-K441 WeakPolarHBondContact O-CG 3.3Å; E437-K441 PolarHBondContact O-N 3.08Å; S438-K441 WeakPolarHBondContact O-CB 3.31Å; S438-K441 PolarHBondContact O-N 3.2Å; F439-K441 VanDerWaalsContact C-N 3.27Å; F439-K441 PolarHBondContact O-N 2.79Å; K441-L443 VanDerWaalsContact C-N 3.31Å; K441-L443 PolarHBondContact O-N 3.26Å; K441-R444 WeakPolarHBondContact O-CB 3.42Å; K441-R444 PolarHBondContact O-N 3.38Å; K441-M445 PolarHBondContact O-N 2.94Å
442A96.6Very high95.3Very high0 Ų023.3 Ų23.30%012%0.118CC..Hα-helixtrans-59.3-41.1177.900000112E108 L109 E112 S438 F439 R444 M445E108-A442 HydrophobicContact CB-CB 4.18Å; L109-A442 HydrophobicContact CD2-CB 3.57Å; L109-A442 HydrophobicContact CG-CB 3.88Å; E112-A442 HydrophobicContact CG-CB 4.46Å; S438-A442 PolarHBondContact O-N 2.7Å; F439-A442 PolarHBondContact O-N 2.86Å; A442-R444 VanDerWaalsContact C-N 3.31Å; A442-R444 PolarHBondContact O-N 3.02Å; A442-M445 WeakPolarHBondContact O-CB 3.47Å; A442-M445 PolarHBondContact O-N 2.96Å; A442-M445 VanDerWaalsContact O-N 3.11Å
443L96.2Very high95.4Very high0 Ų023.2 Ų23.20%012%0.119CC..Hα-helixtrans-59.6-39.6173.7-77.4173.5000112.8L105 M417 A418 F439 K441 M445 L446 P447 L504L105-L443 HydrophobicContact CD1-CD2 3.98Å; L105-L443 HydrophobicContact CD2-CD2 4.17Å; M417-L443 HydrophobicContact CB-CD1 3.7Å; M417-L443 HydrophobicContact CE-CD2 4.09Å; A418-L443 HydrophobicContact CB-CB 4.04Å; A418-L443 HydrophobicContact CB-CD1 4.36Å; F439-L443 HydrophobicContact CD1-CD1 3.84Å; F439-L443 HydrophobicContact CD1-CG 4.22Å; F439-L443 HydrophobicContact CE1-CD1 3.68Å; F439-L443 HydrophobicContact CE1-CG 4.03Å; F439-L443 PolarHBondContact O-N 2.98Å; K441-L443 VanDerWaalsContact C-N 3.31Å; K441-L443 PolarHBondContact O-N 3.26Å; L443-M445 PolarHBondContact O-N 3.18Å; L443-L446 PolarHBondContact O-N 3.14Å; L443-P447 WeakPolarHBondContact O-CD 3.46Å; L443-L504 HydrophobicContact CD2-CD1 4.32Å
444R95.8Very high95.2Very high39 Ų3923.1 Ų23.115%0.14712%0.119CC..Hα-helixtrans-69.1-20.1177.3-74.2179.5-74.9161.5-15.8113.3M415 A418 E437 A440 K441 A442 L446 P447 T448M415-R444 HydrophobicContact CE-CG 3.99Å; M415-R444 HydrophobicContact SD-CG 4.08Å; A418-R444 HydrophobicContact CB-CG 3.86Å; E437-R444 IonicContact OE1-NH2 2.74Å; A440-R444 WeakPolarHBondContact O-CG 3.4Å; A440-R444 PolarHBondContact O-N 3.25Å; A440-R444 PolarHBondContact O-NE 2.8Å; A440-R444 VanDerWaalsContact O-NE 3.08Å; K441-R444 WeakPolarHBondContact O-CB 3.42Å; K441-R444 PolarHBondContact O-N 3.38Å; A442-R444 VanDerWaalsContact C-N 3.31Å; A442-R444 PolarHBondContact O-N 3.02Å; R444-L446 VanDerWaalsContact C-N 3.26Å; R444-L446 PolarHBondContact O-N 3.11Å; R444-P447 VanDerWaalsContact O-CD 3.23Å; R444-P447 WeakPolarHBondContact O-CD 3.42Å; R444-P447 VanDerWaalsContact O-CG 3.26Å; R444-P447 WeakPolarHBondContact O-CG 3.35Å; R444-T448 PolarHBondContact O-N 3.43Å; R444-T448 PolarHBondContact O-OG1 3.3Å
445M95.9Very high95.1Very high52 Ų5223.5 Ų23.526%0.25614%0.135SC..Hα-helixtrans-67.8-26.8177-68.9-54.6-57.200112.7E108 K441 A442 L443 T448 I449E108-M445 HydrophobicContact CB-CB 4.27Å; E108-M445 HydrophobicContact CG-CB 3.75Å; E108-M445 HydrophobicContact CG-CG 4.23Å; K441-M445 PolarHBondContact O-N 2.94Å; A442-M445 WeakPolarHBondContact O-CB 3.47Å; A442-M445 PolarHBondContact O-N 2.96Å; A442-M445 VanDerWaalsContact O-N 3.11Å; L443-M445 PolarHBondContact O-N 3.18Å; M445-T448 HydrophobicContact CE-CG2 4.15Å; M445-T448 WeakPolarHBondContact O-CB 3.3Å; M445-T448 PolarHBondContact O-N 2.91Å; M445-I449 HydrophobicContact CB-CD1 4.38Å; M445-I449 WeakPolarHBondContact O-CB 3.29Å; M445-I449 WeakPolarHBondContact O-CD1 3.33Å; M445-I449 WeakPolarHBondContact O-CG1 3.48Å; M445-I449 PolarHBondContact O-N 3.23Å
446L95.6Very high95Very high3 Ų326.9 Ų26.92%0.01615%0.148CC..Hα-helixtrans-59.8-56.1176-71.7172.5000112.4L43 V104 L105 E414 L443 R444 T448 I449 I450 M503L43-L446 HydrophobicContact CD2-CD2 3.92Å; V104-L446 HydrophobicContact CB-CD2 4.21Å; V104-L446 HydrophobicContact CG1-CD2 3.84Å; L105-L446 HydrophobicContact CB-CD1 4.23Å; L105-L446 HydrophobicContact CB-CD2 4.47Å; L105-L446 HydrophobicContact CD1-CD1 4.17Å; L105-L446 HydrophobicContact CD2-CD1 4.34Å; L105-L446 HydrophobicContact CG-CD1 4.48Å; E414-L446 HydrophobicContact CG-CB 4.07Å; E414-L446 HydrophobicContact CG-CD1 3.56Å; E414-L446 HydrophobicContact CG-CG 4.47Å; L443-L446 PolarHBondContact O-N 3.14Å; R444-L446 VanDerWaalsContact C-N 3.26Å; R444-L446 PolarHBondContact O-N 3.11Å; L446-T448 VanDerWaalsContact C-N 3.27Å; L446-T448 PolarHBondContact O-N 3.38Å; L446-I449 PolarHBondContact O-N 2.77Å; L446-I450 WeakPolarHBondContact O-CG1 3.47Å; L446-I450 PolarHBondContact O-N 2.92Å; L446-M503 HydrophobicContact CD1-CE 4.14Å; L446-M503 HydrophobicContact CD1-SD 4.24Å
447P95.6Very high95Very high0 Ų031.8 Ų31.80%017%0.174CC..Hα-helixtrans-61.3-33.4173.616.5-25.4000113.2L443 R444 I450 A451 V462 L465 L478L443-P447 WeakPolarHBondContact O-CD 3.46Å; R444-P447 VanDerWaalsContact O-CD 3.23Å; R444-P447 WeakPolarHBondContact O-CD 3.42Å; R444-P447 VanDerWaalsContact O-CG 3.26Å; R444-P447 WeakPolarHBondContact O-CG 3.35Å; P447-I450 PolarHBondContact O-N 3.27Å; P447-A451 PolarHBondContact O-N 3.28Å; P447-V462 HydrophobicContact CB-CG2 4.24Å; P447-L465 HydrophobicContact CB-CD2 4.35Å; P447-L478 HydrophobicContact CB-CD1 3.57Å; P447-L478 HydrophobicContact CB-CG 4.41Å; P447-L478 VanDerWaalsContact O-CD1 3.29Å; P447-L478 WeakPolarHBondContact O-CD1 3.47Å
448T95.9Very high94.9Very high21 Ų2129.9 Ų29.913%0.12917%0.167CC..Hα-helixtrans-58.3-49.8173.7-52.20000111.3R444 M445 L446 I450 A451 D452 S458R444-T448 PolarHBondContact O-N 3.43Å; R444-T448 PolarHBondContact O-OG1 3.3Å; M445-T448 HydrophobicContact CE-CG2 4.15Å; M445-T448 WeakPolarHBondContact O-CB 3.3Å; M445-T448 PolarHBondContact O-N 2.91Å; L446-T448 VanDerWaalsContact C-N 3.27Å; L446-T448 PolarHBondContact O-N 3.38Å; T448-I450 VanDerWaalsContact C-N 3.34Å; T448-I450 PolarHBondContact O-N 3.12Å; T448-A451 PolarHBondContact O-N 3.48Å; T448-D452 PolarHBondContact O-N 2.89Å; T448-S458 WeakPolarHBondContact O-CB 3.11Å
449I95.5Very high94.7Very high9 Ų933 Ų335%0.04619%0.193CC..Hα-helixtrans-66.5-37.4-178.2-66.1159.9000110.9K40 L43 V104 E108 M445 L446 A451 D452 N453K40-I449 HydrophobicContact CB-CG2 4.22Å; K40-I449 HydrophobicContact CD-CD1 3.95Å; K40-I449 HydrophobicContact CD-CG1 4.47Å; K40-I449 HydrophobicContact CG-CD1 4.1Å; K40-I449 HydrophobicContact CG-CG2 4.26Å; L43-I449 HydrophobicContact CB-CG2 4.37Å; L43-I449 HydrophobicContact CD2-CB 4.34Å; L43-I449 HydrophobicContact CD2-CG2 4.03Å; V104-I449 HydrophobicContact CG1-CD1 3.38Å; E108-I449 HydrophobicContact CG-CD1 4.35Å; M445-I449 HydrophobicContact CB-CD1 4.38Å; M445-I449 WeakPolarHBondContact O-CB 3.29Å; M445-I449 WeakPolarHBondContact O-CD1 3.33Å; M445-I449 WeakPolarHBondContact O-CG1 3.48Å; M445-I449 PolarHBondContact O-N 3.23Å; L446-I449 PolarHBondContact O-N 2.77Å; I449-A451 VanDerWaalsContact C-N 3.33Å; I449-A451 PolarHBondContact O-N 3.38Å; I449-D452 PolarHBondContact O-N 3.24Å; I449-N453 WeakPolarHBondContact O-CB 3.46Å; I449-N453 VanDerWaalsContact O-CG 3.23Å; I449-N453 PolarHBondContact O-N 3.02Å; I449-N453 PolarHBondContact O-ND2 3.06Å
450I94.1Very high94.6Very high23 Ų2336.9 Ų36.912%0.11821%0.214CC..Hα-helixtrans-60-44.8174.2-68.4167.5000110.6L43 L446 P447 T448 A454 M480L43-I450 HydrophobicContact CD2-CG1 4.07Å; L43-I450 HydrophobicContact CG-CG1 4Å; L446-I450 WeakPolarHBondContact O-CG1 3.47Å; L446-I450 PolarHBondContact O-N 2.92Å; P447-I450 PolarHBondContact O-N 3.27Å; T448-I450 VanDerWaalsContact C-N 3.34Å; T448-I450 PolarHBondContact O-N 3.12Å; I450-A454 PolarHBondContact O-N 2.95Å; I450-M480 HydrophobicContact CG2-CE 4.08Å; I450-M480 HydrophobicContact CG2-CG 3.96Å; I450-M480 HydrophobicContact CG2-SD 3.84Å
451A94.8Very high94.6Very high0 Ų037.4 Ų37.40%022%0.216CC..Hα-helixtrans-69.5-39.3177.700000112.9P447 T448 I449 A454 G455 Y456 L461 L478 M480P447-A451 PolarHBondContact O-N 3.28Å; T448-A451 PolarHBondContact O-N 3.48Å; I449-A451 VanDerWaalsContact C-N 3.33Å; I449-A451 PolarHBondContact O-N 3.38Å; A451-A454 WeakPolarHBondContact O-CB 3.25Å; A451-A454 PolarHBondContact O-N 3.48Å; A451-G455 PolarHBondContact O-N 3.36Å; A451-Y456 PolarHBondContact O-N 3.24Å; A451-L461 HydrophobicContact CB-CD1 4.25Å; A451-L478 HydrophobicContact CB-CD1 4.39Å; A451-M480 HydrophobicContact CB-CE 4.18Å
452D94.3Very high94.5Very high79 Ų7934.2 Ų34.242%0.42220%0.204SC..Hα-helixtrans-60.8-46.7176.1-76.1-26.7000111.3T448 I449 A454 G455 S458T448-D452 PolarHBondContact O-N 2.89Å; I449-D452 PolarHBondContact O-N 3.24Å; D452-A454 PolarHBondContact O-N 3.32Å; D452-G455 PolarHBondContact O-N 3.27Å; D452-S458 WeakPolarHBondContact OD1-CB 3.29Å; D452-S458 PolarHBondContact OD1-OG 2.94Å
453N93.1Very high94.4Very high45 Ų4536.9 Ų36.924%0.24123%0.226CC..Hα-helixtrans-63.6-29.3177.6-71-20.3000112K40 L43 I449 G455K40-N453 PolarHBondContact O-ND2 3.44Å; L43-N453 PolarHBondContact O-ND2 3.42Å; I449-N453 WeakPolarHBondContact O-CB 3.46Å; I449-N453 VanDerWaalsContact O-CG 3.23Å; I449-N453 PolarHBondContact O-N 3.02Å; I449-N453 PolarHBondContact O-ND2 3.06Å; N453-G455 VanDerWaalsContact C-N 3.28Å
454A91.3Very high94.3Very high15 Ų1541 Ų4112%0.12425%0.245CC..THydrogen-bonded Turntrans-78.1-10.2174.700000114.3K46 I450 A451 D452 Y456 M480K46-A454 HydrophobicContact CB-CB 4.23Å; K46-A454 HydrophobicContact CD-CB 3.84Å; K46-A454 HydrophobicContact CG-CB 4.37Å; I450-A454 PolarHBondContact O-N 2.95Å; A451-A454 WeakPolarHBondContact O-CB 3.25Å; A451-A454 PolarHBondContact O-N 3.48Å; D452-A454 PolarHBondContact O-N 3.32Å; A454-Y456 HydrophobicContact CB-CD2 3.55Å; A454-Y456 HydrophobicContact CB-CE2 3.79Å; A454-M480 HydrophobicContact CB-SD 3.39Å; A454-M480 WeakPolarHBondContact CB-SD 3.49Å
455G92.1Very high94.2Very high68 Ų6839.2 Ų39.270%0.70124%0.238SC*.THydrogen-bonded Turntrans79.31617900000114.8A451 D452 N453A451-G455 PolarHBondContact O-N 3.36Å; D452-G455 PolarHBondContact O-N 3.27Å; N453-G455 VanDerWaalsContact C-N 3.28Å
456Y93.1Very high94.1Very high72 Ų7242 Ų4228%0.28225%0.246SC..SBendtrans-91.4169.4176-62.3-68.4000111.6K46 A451 A454 S458 L461 M480 S481 G483K46-Y456 PolarHBondContact NZ-OH 3.38Å; A451-Y456 PolarHBondContact O-N 3.24Å; A454-Y456 HydrophobicContact CB-CD2 3.55Å; A454-Y456 HydrophobicContact CB-CE2 3.79Å; Y456-S458 PolarHBondContact O-N 3.28Å; Y456-L461 HydrophobicContact CG-CD1 4.31Å; Y456-M480 HydrophobicContact CD2-SD 4.39Å; Y456-M480 WeakPolarHBondContact CE2-O 3.45Å; Y456-M480 PolarHBondContact OH-O 3.38Å; Y456-S481 PolarHBondContact OH-O 3.39Å; Y456-G483 VanDerWaalsContact CZ-CA 3.47Å
457D93.9Very high94Very high103 Ų10344 Ų4455%0.55126%0.263SS*.  trans-72.193.7170.5-171.1-17.2000109.8A459 D460 L461D457-A459 PolarHBondContact O-N 3.34Å; D457-A459 WeakPolarHBondContact OD1-CB 3.37Å; D457-A459 PolarHBondContact OD1-N 3.47Å; D457-A459 VanDerWaalsContact OD1-N 3.09Å; D457-D460 HydrophobicContact CB-CB 4.26Å; D457-D460 PolarHBondContact O-N 3.15Å; D457-D460 PolarHBondContact OD1-N 3.48Å; D457-L461 WeakPolarHBondContact O-CG 3.42Å; D457-L461 PolarHBondContact O-N 3.09Å; D457-L461 VanDerWaalsContact O-N 3.11Å
458S93.8Very high94Very high16 Ų1644.5 Ų44.511%0.11227%0.267CS..Hα-helixtrans-63.1-31.4-179.762.10000112.7T448 D452 Y456 V462T448-S458 WeakPolarHBondContact O-CB 3.11Å; D452-S458 WeakPolarHBondContact OD1-CB 3.29Å; D452-S458 PolarHBondContact OD1-OG 2.94Å; Y456-S458 PolarHBondContact O-N 3.28Å; S458-V462 VanDerWaalsContact O-CB 3.27Å; S458-V462 WeakPolarHBondContact O-CB 3.5Å; S458-V462 WeakPolarHBondContact O-CG2 3.42Å; S458-V462 PolarHBondContact O-N 3.03Å
459A93.4Very high93.8Very high67 Ų6743.6 Ų43.655%0.55426%0.262SS*.Hα-helixtrans-68.1-44.9-178.600000110.9D457 A463D457-A459 PolarHBondContact O-N 3.34Å; D457-A459 WeakPolarHBondContact OD1-CB 3.37Å; D457-A459 PolarHBondContact OD1-N 3.47Å; D457-A459 VanDerWaalsContact OD1-N 3.09Å; A459-A463 WeakPolarHBondContact O-CB 3.37Å; A459-A463 PolarHBondContact O-N 3.48Å; A459-A463 VanDerWaalsContact O-N 3.13Å
460D94.7Very high93.6Very high82 Ų8248.8 Ų48.844%0.43929%0.285SS..Hα-helixtrans-68.1-48.5177.2-172.333.6000111.4D457 V462 A463 Q464D457-D460 HydrophobicContact CB-CB 4.26Å; D457-D460 PolarHBondContact O-N 3.15Å; D457-D460 PolarHBondContact OD1-N 3.48Å; D460-V462 PolarHBondContact O-N 2.94Å; D460-A463 PolarHBondContact O-N 3.02Å; D460-Q464 WeakPolarHBondContact O-CG 3.35Å; D460-Q464 PolarHBondContact O-N 3.36Å; D460-Q464 PolarHBondContact OD1-NE2 2.92Å; D460-Q464 PolarHBondContact OD2-NE2 3.15Å
461L94.7Very high93.5Very high10 Ų1053.6 Ų53.65%0.05231%0.308CS..Hα-helixtrans-61.3-45-179.6-73.1176.1000112.9A451 Y456 D457 A463 Q464 L465 L478 G483A451-L461 HydrophobicContact CB-CD1 4.25Å; Y456-L461 HydrophobicContact CG-CD1 4.31Å; D457-L461 WeakPolarHBondContact O-CG 3.42Å; D457-L461 PolarHBondContact O-N 3.09Å; D457-L461 VanDerWaalsContact O-N 3.11Å; L461-A463 VanDerWaalsContact C-N 3.33Å; L461-A463 PolarHBondContact O-N 3.11Å; L461-Q464 PolarHBondContact O-N 3.39Å; L461-L465 VanDerWaalsContact O-CB 3.27Å; L461-L465 WeakPolarHBondContact O-CB 3.43Å; L461-L465 PolarHBondContact O-N 3.28Å; L461-L478 HydrophobicContact CB-CD2 4.09Å; L461-G483 WeakPolarHBondContact CD2-O 3.34Å
462V94.3Very high93.1Very high14 Ų1459.1 Ų59.19%0.08534%0.337CS..Hα-helixtrans-70.1-32.7179175.50000111.3M415 P447 S458 D460 L465 R466M415-V462 HydrophobicContact CE-CG1 3.93Å; P447-V462 HydrophobicContact CB-CG2 4.24Å; S458-V462 VanDerWaalsContact O-CB 3.27Å; S458-V462 WeakPolarHBondContact O-CB 3.5Å; S458-V462 WeakPolarHBondContact O-CG2 3.42Å; S458-V462 PolarHBondContact O-N 3.03Å; D460-V462 PolarHBondContact O-N 2.94Å; V462-L465 PolarHBondContact O-N 2.98Å; V462-R466 VanDerWaalsContact O-CB 3.29Å; V462-R466 WeakPolarHBondContact O-CB 3.41Å; V462-R466 PolarHBondContact O-N 3.32Å
463A94.3Very high92.9Very high56 Ų5659.2 Ų59.246%0.46333%0.334SS..Hα-helixtrans-66-46.1174.800000111.8A459 D460 L461 L465 R466 A467A459-A463 WeakPolarHBondContact O-CB 3.37Å; A459-A463 PolarHBondContact O-N 3.48Å; A459-A463 VanDerWaalsContact O-N 3.13Å; D460-A463 PolarHBondContact O-N 3.02Å; L461-A463 VanDerWaalsContact C-N 3.33Å; L461-A463 PolarHBondContact O-N 3.11Å; A463-L465 VanDerWaalsContact C-N 3.34Å; A463-R466 PolarHBondContact O-N 3.13Å; A463-A467 PolarHBondContact O-N 3.3Å
464Q94.4Very high92.6Very high88 Ų8860 Ų6041%0.41134%0.34SS..Hα-helixtrans-63.7-40174.9-68.8175.529.800111.4D460 L461 R466 A467 A468 I485D460-Q464 WeakPolarHBondContact O-CG 3.35Å; D460-Q464 PolarHBondContact O-N 3.36Å; D460-Q464 PolarHBondContact OD1-NE2 2.92Å; D460-Q464 PolarHBondContact OD2-NE2 3.15Å; L461-Q464 PolarHBondContact O-N 3.39Å; Q464-R466 VanDerWaalsContact C-N 3.34Å; Q464-R466 PolarHBondContact O-N 3.01Å; Q464-A467 WeakPolarHBondContact O-CB 3.39Å; Q464-A467 PolarHBondContact O-N 3.3Å; Q464-A467 VanDerWaalsContact O-N 3.17Å; Q464-A468 PolarHBondContact O-N 3.08Å; Q464-I485 HydrophobicContact CB-CD1 3.17Å; Q464-I485 HydrophobicContact CG-CD1 4.44Å
465L94.2Very high92.6Very high0 Ų060.9 Ų60.90%034%0.344CS..Hα-helixtrans-64-43.3178.8178.865.6000110.4M415 P447 L461 V462 A463 A467 A468 H469 Y476 L478 I485M415-L465 HydrophobicContact CB-CD2 4.23Å; M415-L465 HydrophobicContact CB-CG 4.4Å; M415-L465 HydrophobicContact CE-CB 4.32Å; M415-L465 HydrophobicContact CE-CD2 3.82Å; M415-L465 HydrophobicContact CE-CG 3.98Å; M415-L465 HydrophobicContact CG-CD2 4.42Å; M415-L465 HydrophobicContact CG-CG 4.13Å; P447-L465 HydrophobicContact CB-CD2 4.35Å; L461-L465 VanDerWaalsContact O-CB 3.27Å; L461-L465 WeakPolarHBondContact O-CB 3.43Å; L461-L465 PolarHBondContact O-N 3.28Å; V462-L465 PolarHBondContact O-N 2.98Å; A463-L465 VanDerWaalsContact C-N 3.34Å; L465-A467 VanDerWaalsContact C-N 3.33Å; L465-A467 PolarHBondContact O-N 3.47Å; L465-A468 PolarHBondContact O-N 3.34Å; L465-H469 PolarHBondContact O-CD2 3.05Å; L465-H469 VanDerWaalsContact O-CD2 3.29Å; L465-H469 PolarHBondContact O-N 3.41Å; L465-Y476 WeakPolarHBondContact CD1-O 3.44Å; L465-L478 HydrophobicContact CB-CD2 4.41Å; L465-L478 HydrophobicContact CD2-CD2 3.96Å; L465-L478 HydrophobicContact CD2-CG 4.02Å; L465-I485 HydrophobicContact CB-CD1 3.93Å; L465-I485 HydrophobicContact CB-CG1 4.24Å; L465-I485 HydrophobicContact CD1-CG2 3.84Å
466R93.6Very high92.7Very high111 Ų11161.2 Ų61.242%0.41933%0.325SS..Hα-helixtrans-59.5-43.3173.8178.8-176170-168.20.5111.6M415 V462 A463 Q464 H469 Q470M415-R466 HydrophobicContact CE-CB 4.17Å; M415-R466 HydrophobicContact SD-CB 3.98Å; M415-R466 HydrophobicContact SD-CG 4.39Å; V462-R466 VanDerWaalsContact O-CB 3.29Å; V462-R466 WeakPolarHBondContact O-CB 3.41Å; V462-R466 PolarHBondContact O-N 3.32Å; A463-R466 PolarHBondContact O-N 3.13Å; Q464-R466 VanDerWaalsContact C-N 3.34Å; Q464-R466 PolarHBondContact O-N 3.01Å; R466-H469 PolarHBondContact O-N 3.26Å; R466-Q470 WeakPolarHBondContact O-CG 3.47Å; R466-Q470 PolarHBondContact O-N 3.19Å
467A94Very high92.8Very high45 Ų4557.8 Ų57.837%0.37231%0.311SS..Hα-helixtrans-62.4-45177.500000111.6A463 Q464 L465 H469 Q470 E471A463-A467 PolarHBondContact O-N 3.3Å; Q464-A467 WeakPolarHBondContact O-CB 3.39Å; Q464-A467 PolarHBondContact O-N 3.3Å; Q464-A467 VanDerWaalsContact O-N 3.17Å; L465-A467 VanDerWaalsContact C-N 3.33Å; L465-A467 PolarHBondContact O-N 3.47Å; A467-H469 VanDerWaalsContact C-N 3.35Å; A467-H469 PolarHBondContact O-N 3.1Å; A467-Q470 WeakPolarHBondContact O-CB 3.29Å; A467-Q470 PolarHBondContact O-N 3.4Å; A467-Q470 VanDerWaalsContact O-N 3.12Å; A467-E471 PolarHBondContact O-N 3.24Å
468A93.9Very high92.7Very high11 Ų1153 Ų539%0.09129%0.286CS..Hα-helixtrans-59.4-43.5176.500000112.4Q464 L465 Q470 E471 N472 K473 Y476Q464-A468 PolarHBondContact O-N 3.08Å; L465-A468 PolarHBondContact O-N 3.34Å; A468-Q470 VanDerWaalsContact C-N 3.33Å; A468-Q470 PolarHBondContact O-N 3.27Å; A468-E471 CarbonylContact O-C 3.56Å; A468-E471 WeakPolarHBondContact O-CB 3.3Å; A468-E471 PolarHBondContact O-N 3.09Å; A468-E471 VanDerWaalsContact O-N 3.16Å; A468-N472 PolarHBondContact O-N 2.95Å; A468-K473 HydrophobicContact CB-CB 4.37Å; A468-K473 HydrophobicContact CB-CD 4.26Å; A468-K473 WeakPolarHBondContact O-CB 3.45Å; A468-K473 PolarHBondContact O-N 3.38Å; A468-Y476 HydrophobicContact CB-CD1 4.2Å; A468-Y476 HydrophobicContact CB-CG 4.5Å
469H93.1Very high92.7Very high2 Ų253 Ų531%0.00929%0.285CS..Hα-helixtrans-66.6-33.5176.1-85.5-105.1000112.5C412 M415 K419 L465 R466 A467 E471 N472 Y476C412-H469 PolarHBondContact O-CE1 3.1Å; M415-H469 HydrophobicContact CG-CB 3.85Å; M415-H469 VanDerWaalsContact CG-CG 3.46Å; K419-H469 WeakPolarHBondContact CD-O 3.45Å; K419-H469 WeakPolarHBondContact CE-O 3.32Å; K419-H469 PolarHBondContact NZ-O 3.14Å; L465-H469 PolarHBondContact O-CD2 3.05Å; L465-H469 VanDerWaalsContact O-CD2 3.29Å; L465-H469 PolarHBondContact O-N 3.41Å; R466-H469 PolarHBondContact O-N 3.26Å; A467-H469 VanDerWaalsContact C-N 3.35Å; A467-H469 PolarHBondContact O-N 3.1Å; H469-E471 VanDerWaalsContact C-N 3.3Å; H469-E471 PolarHBondContact O-N 2.55Å; H469-N472 PolarHBondContact O-N 2.57Å; H469-N472 VanDerWaalsContact O-N 3.09Å; H469-Y476 PolarHBondContact NE2-O 3.48Å
470Q91.1Very high92.5Very high117 Ų11750.5 Ų50.555%0.54726%0.261SS..Hα-helixtrans-64.6-34171.9-75.2-176-5.400112.3R466 A467 A468 N472R466-Q470 WeakPolarHBondContact O-CG 3.47Å; R466-Q470 PolarHBondContact O-N 3.19Å; A467-Q470 WeakPolarHBondContact O-CB 3.29Å; A467-Q470 PolarHBondContact O-N 3.4Å; A467-Q470 VanDerWaalsContact O-N 3.12Å; A468-Q470 VanDerWaalsContact C-N 3.33Å; A468-Q470 PolarHBondContact O-N 3.27Å; Q470-N472 PolarHBondContact O-N 2.62Å
471E91.6Very high92.1Very high125 Ų12551.5 Ų51.558%0.58428%0.275SS*.THydrogen-bonded Turntrans-74.68.8171.3-65.4178.2176.700114A467 A468 H469 K473A467-E471 PolarHBondContact O-N 3.24Å; A468-E471 CarbonylContact O-C 3.56Å; A468-E471 WeakPolarHBondContact O-CB 3.3Å; A468-E471 PolarHBondContact O-N 3.09Å; A468-E471 VanDerWaalsContact O-N 3.16Å; H469-E471 VanDerWaalsContact C-N 3.3Å; H469-E471 PolarHBondContact O-N 2.55Å; E471-K473 VanDerWaalsContact C-N 3.31Å; E471-K473 PolarHBondContact O-N 2.87Å; E471-K473 IonicContact OE2-NZ 3.78Å; E471-K473 PolarHBondContact OE2-NZ 3.48Å
472N87Confident91.8Very high116 Ų11658.2 Ų58.262%0.6231%0.306SS*.THydrogen-bonded Turntrans66.223-177-54.8-51.7000115.2K419 A468 H469 Q470 T474K419-N472 PolarHBondContact NZ-OD1 3.02Å; A468-N472 PolarHBondContact O-N 2.95Å; H469-N472 PolarHBondContact O-N 2.57Å; H469-N472 VanDerWaalsContact O-N 3.09Å; Q470-N472 PolarHBondContact O-N 2.62Å; N472-T474 VanDerWaalsContact C-N 3.27Å; N472-T474 PolarHBondContact O-N 3.43Å
473K89.5Confident91.5Very high81 Ų8158.4 Ų58.435%0.35231%0.311SS..  trans-81.774.9167.8-62.2172177.5148.70109.9A468 E471 T475 Y476A468-K473 HydrophobicContact CB-CB 4.37Å; A468-K473 HydrophobicContact CB-CD 4.26Å; A468-K473 WeakPolarHBondContact O-CB 3.45Å; A468-K473 PolarHBondContact O-N 3.38Å; E471-K473 VanDerWaalsContact C-N 3.31Å; E471-K473 PolarHBondContact O-N 2.87Å; E471-K473 IonicContact OE2-NZ 3.78Å; E471-K473 PolarHBondContact OE2-NZ 3.48Å; K473-T475 PolarHBondContact O-N 3.01Å; K473-Y476 HydrophobicContact CB-CD2 3.7Å; K473-Y476 HydrophobicContact CB-CE2 4.11Å; K473-Y476 HydrophobicContact CB-CG 3.99Å; K473-Y476 HydrophobicContact CD-CD1 4.39Å; K473-Y476 HydrophobicContact CD-CD2 4.37Å; K473-Y476 HydrophobicContact CD-CE1 4.17Å; K473-Y476 HydrophobicContact CD-CE2 4.1Å; K473-Y476 HydrophobicContact CG-CD2 4.41Å; K473-Y476 HydrophobicContact CG-CE2 4.34Å; K473-Y476 PolarHBondContact O-N 3.24Å
474T86.8Confident91.4Very high61 Ų6157.7 Ų57.737%0.37430%0.303SS..THydrogen-bonded Turntrans-75.7-2.8-173.156.20000114.7C412 L416 N472C412-T474 PolarHBondContact SG-O 3.36Å; L416-T474 HydrophobicContact CD1-CG2 3.76Å; N472-T474 VanDerWaalsContact C-N 3.27Å; N472-T474 PolarHBondContact O-N 3.43Å
475T91.6Very high91.4Very high34 Ų3455 Ų5521%0.20929%0.291CS..THydrogen-bonded Turntrans-99.7-6.2176.762.10000113Y408 K473 D487 M488 V489Y408-T475 HydrophobicContact CD2-CG2 4.2Å; Y408-T475 HydrophobicContact CE2-CG2 3.79Å; K473-T475 PolarHBondContact O-N 3.01Å; T475-D487 WeakPolarHBondContact CB-OD1 3.32Å; T475-D487 PolarHBondContact OG1-OD1 2.87Å; T475-M488 WeakPolarHBondContact O-CB 3.27Å; T475-M488 WeakPolarHBondContact O-CG 3.2Å; T475-M488 PolarHBondContact O-N 3.46Å; T475-V489 HydrophobicContact CG2-CG2 4.02Å
476Y93.8Very high91.3Very high74 Ų7455.7 Ų55.729%0.2930%0.298SS..EExtended strand (participates in β ladder)trans-78.4135.7-176.5-84.3-130.3000110.5C412 L465 A468 H469 K473 I485 G486 D487C412-Y476 WeakPolarHBondContact CB-O 3.49Å; C412-Y476 PolarHBondContact SG-O 2.91Å; L465-Y476 WeakPolarHBondContact CD1-O 3.44Å; A468-Y476 HydrophobicContact CB-CD1 4.2Å; A468-Y476 HydrophobicContact CB-CG 4.5Å; H469-Y476 PolarHBondContact NE2-O 3.48Å; K473-Y476 HydrophobicContact CB-CD2 3.7Å; K473-Y476 HydrophobicContact CB-CE2 4.11Å; K473-Y476 HydrophobicContact CB-CG 3.99Å; K473-Y476 HydrophobicContact CD-CD1 4.39Å; K473-Y476 HydrophobicContact CD-CD2 4.37Å; K473-Y476 HydrophobicContact CD-CE1 4.17Å; K473-Y476 HydrophobicContact CD-CE2 4.1Å; K473-Y476 HydrophobicContact CG-CD2 4.41Å; K473-Y476 HydrophobicContact CG-CE2 4.34Å; K473-Y476 PolarHBondContact O-N 3.24Å; Y476-I485 HydrophobicContact CD1-CG2 3.62Å; Y476-I485 HydrophobicContact CG-CG2 4.24Å; Y476-G486 CarbonylContact C-O 3.55Å; Y476-G486 VanDerWaalsContact CA-O 3.32Å; Y476-G486 WeakPolarHBondContact CA-O 3.48Å; Y476-D487 HydrophobicContact CD2-CB 4.45Å; Y476-D487 HydrophobicContact CE2-CB 4.23Å
477G94.6Very high91.4Very high0 Ų053 Ų530%029%0.291CS..EExtended strand (participates in β ladder)trans-143-172.5176.900000110.8I485 G486 M488G477-I485 WeakPolarHBondContact O-CA 3.49Å; G477-I485 VanDerWaalsContact O-CG2 3.25Å; G477-I485 WeakPolarHBondContact O-CG2 3.41Å; G477-G486 PolarHBondContact N-O 3.02Å; G477-G486 PolarHBondContact O-N 3.24Å; G477-M488 VanDerWaalsContact C-CE 3.46Å
478L93.6Very high91.3Very high4 Ų450.8 Ų50.82%0.02127%0.274CS..EExtended strand (participates in β ladder)trans-87.5122.2-179.2-57.2174.4000111.7G410 P447 A451 L461 L465 M480 I485G410-L478 PolarHBondContact O-N 3.3Å; P447-L478 HydrophobicContact CB-CD1 3.57Å; P447-L478 HydrophobicContact CB-CG 4.41Å; P447-L478 VanDerWaalsContact O-CD1 3.29Å; P447-L478 WeakPolarHBondContact O-CD1 3.47Å; A451-L478 HydrophobicContact CB-CD1 4.39Å; L461-L478 HydrophobicContact CB-CD2 4.09Å; L465-L478 HydrophobicContact CB-CD2 4.41Å; L465-L478 HydrophobicContact CD2-CD2 3.96Å; L465-L478 HydrophobicContact CD2-CG 4.02Å; L478-M480 HydrophobicContact CB-CE 3.27Å; L478-M480 HydrophobicContact CD1-CE 3.71Å; L478-M480 HydrophobicContact CG-CE 4.02Å; L478-I485 HydrophobicContact CD2-CG1 4.3Å
479D93.2Very high91.2Very high16 Ų1653.8 Ų53.89%0.08629%0.291CS..EExtended strand (participates in β ladder)trans-88.8104.8167.9-172.4-21.2000109.7S481 E482 G483 S484 L491D479-S481 VanDerWaalsContact C-N 3.31Å; D479-S481 PolarHBondContact O-N 3.21Å; D479-S481 WeakPolarHBondContact OD1-CA 3.36Å; D479-S481 WeakPolarHBondContact OD1-CB 3.39Å; D479-S481 PolarHBondContact OD1-N 2.99Å; D479-E482 PolarHBondContact OD1-N 3.42Å; D479-G483 VanDerWaalsContact O-CA 3.32Å; D479-G483 WeakPolarHBondContact O-CA 3.43Å; D479-G483 PolarHBondContact O-N 3.38Å; D479-S484 PolarHBondContact N-O 2.93Å; D479-S484 PolarHBondContact O-N 3.19Å; D479-L491 HydrophobicContact CB-CD1 3.85Å; D479-L491 WeakPolarHBondContact OD2-CD1 3.14Å
480M89.3Confident91Very high13 Ų1357.9 Ų57.96%0.06433%0.325CS..THydrogen-bonded Turntrans-79.9-9.5-179.3-67.8-66.712100114P45 K46 I450 A451 A454 Y456 L478P45-M480 HydrophobicContact CG-CB 3.62Å; P45-M480 HydrophobicContact CG-CG 3.68Å; K46-M480 WeakPolarHBondContact CE-O 3.25Å; K46-M480 PolarHBondContact NZ-O 2.81Å; I450-M480 HydrophobicContact CG2-CE 4.08Å; I450-M480 HydrophobicContact CG2-CG 3.96Å; I450-M480 HydrophobicContact CG2-SD 3.84Å; A451-M480 HydrophobicContact CB-CE 4.18Å; A454-M480 HydrophobicContact CB-SD 3.39Å; A454-M480 WeakPolarHBondContact CB-SD 3.49Å; Y456-M480 HydrophobicContact CD2-SD 4.39Å; Y456-M480 WeakPolarHBondContact CE2-O 3.45Å; Y456-M480 PolarHBondContact OH-O 3.38Å; L478-M480 HydrophobicContact CB-CE 3.27Å; L478-M480 HydrophobicContact CD1-CE 3.71Å; L478-M480 HydrophobicContact CG-CE 4.02Å
481S85.9Confident91Very high104 Ų10455.9 Ų55.973%0.72732%0.317SS*.THydrogen-bonded Turntrans-80.3-46.6175.1-690000110.7Y456 D479Y456-S481 PolarHBondContact OH-O 3.39Å; D479-S481 VanDerWaalsContact C-N 3.31Å; D479-S481 PolarHBondContact O-N 3.21Å; D479-S481 WeakPolarHBondContact OD1-CA 3.36Å; D479-S481 WeakPolarHBondContact OD1-CB 3.39Å; D479-S481 PolarHBondContact OD1-N 2.99Å
482E87.3Confident90.9Very high150 Ų15050.7 Ų50.770%0.70130%0.297SS*.THydrogen-bonded Turntrans-91.1-20.2179.2-62.9-166.8166.200113.4D479D479-E482 PolarHBondContact OD1-N 3.42Å
483G88.9Confident91.2Very high19 Ų1947 Ų4720%0.19628%0.277CS..THydrogen-bonded Turntrans72.139.9-173.300000111.7Y456 L461 D479Y456-G483 VanDerWaalsContact CZ-CA 3.47Å; L461-G483 WeakPolarHBondContact CD2-O 3.34Å; D479-G483 VanDerWaalsContact O-CA 3.32Å; D479-G483 WeakPolarHBondContact O-CA 3.43Å; D479-G483 PolarHBondContact O-N 3.38Å
484S93.2Very high91.3Very high40 Ų4043.5 Ų43.528%0.2826%0.263SS..EExtended strand (participates in β ladder)trans-136.6179.7-177.673.10000110D479D479-S484 PolarHBondContact N-O 2.93Å; D479-S484 PolarHBondContact O-N 3.19Å
485I93.5Very high91.7Very high32 Ų3241.9 Ų41.916%0.16425%0.251CS..EExtended strand (participates in β ladder)trans-100.2130.1172.4-60.7155.1000108Q464 L465 Y476 G477 L478Q464-I485 HydrophobicContact CB-CD1 3.17Å; Q464-I485 HydrophobicContact CG-CD1 4.44Å; L465-I485 HydrophobicContact CB-CD1 3.93Å; L465-I485 HydrophobicContact CB-CG1 4.24Å; L465-I485 HydrophobicContact CD1-CG2 3.84Å; Y476-I485 HydrophobicContact CD1-CG2 3.62Å; Y476-I485 HydrophobicContact CG-CG2 4.24Å; G477-I485 WeakPolarHBondContact O-CA 3.49Å; G477-I485 VanDerWaalsContact O-CG2 3.25Å; G477-I485 WeakPolarHBondContact O-CG2 3.41Å; L478-I485 HydrophobicContact CD2-CG1 4.3Å
486G92.9Very high91.8Very high14 Ų1440.3 Ų40.314%0.14424%0.241CC..EExtended strand (participates in β ladder)trans-130.3167-178.700000112.3Y476 G477 M488Y476-G486 CarbonylContact C-O 3.55Å; Y476-G486 VanDerWaalsContact CA-O 3.32Å; Y476-G486 WeakPolarHBondContact CA-O 3.48Å; G477-G486 PolarHBondContact N-O 3.02Å; G477-G486 PolarHBondContact O-N 3.24Å; G486-M488 VanDerWaalsContact O-CE 3.25Å; G486-M488 WeakPolarHBondContact O-CE 3.48Å; G486-M488 PolarHBondContact O-N 2.84Å
487D93.7Very high91.8Very high54 Ų5437 Ų3729%0.28923%0.228SC..EExtended strand (participates in β ladder)trans-77.5117.9171-170-14.7000109.7T475 Y476 V489 A490 L491T475-D487 WeakPolarHBondContact CB-OD1 3.32Å; T475-D487 PolarHBondContact OG1-OD1 2.87Å; Y476-D487 HydrophobicContact CD2-CB 4.45Å; Y476-D487 HydrophobicContact CE2-CB 4.23Å; D487-V489 PolarHBondContact O-N 2.95Å; D487-V489 WeakPolarHBondContact OD1-CB 3.47Å; D487-V489 WeakPolarHBondContact OD1-CG2 3.34Å; D487-V489 PolarHBondContact OD1-N 3.16Å; D487-A490 HydrophobicContact CB-CB 4.24Å; D487-A490 PolarHBondContact O-N 3.15Å; D487-L491 WeakPolarHBondContact O-CG 3.4Å; D487-L491 PolarHBondContact O-N 3.3Å; D487-L491 VanDerWaalsContact O-N 3.1Å
488M93.1Very high91.8Very high0 Ų039 Ų390%024%0.237CC..Hα-helixtrans-66.5-23.1-177.9-62-6394.100112.4Y408 C412 T475 G477 G486 L491 G492 I493Y408-M488 HydrophobicContact CD1-CB 4.1Å; Y408-M488 HydrophobicContact CG-CB 4.12Å; C412-M488 HydrophobicContact CB-CG 4.03Å; T475-M488 WeakPolarHBondContact O-CB 3.27Å; T475-M488 WeakPolarHBondContact O-CG 3.2Å; T475-M488 PolarHBondContact O-N 3.46Å; G477-M488 VanDerWaalsContact C-CE 3.46Å; G486-M488 VanDerWaalsContact O-CE 3.25Å; G486-M488 WeakPolarHBondContact O-CE 3.48Å; G486-M488 PolarHBondContact O-N 2.84Å; M488-L491 HydrophobicContact CE-CD1 3.66Å; M488-G492 PolarHBondContact O-N 3.27Å; M488-I493 HydrophobicContact CB-CB 4.45Å; M488-I493 HydrophobicContact CE-CD1 4.22Å; M488-I493 PolarHBondContact O-N 3.4Å; M488-I493 HydrophobicContact SD-CB 3.89Å; M488-I493 HydrophobicContact SD-CD1 3.84Å; M488-I493 HydrophobicContact SD-CG1 4.38Å; M488-I493 HydrophobicContact SD-CG2 4.14Å
489V90.9Very high91.8Very high74 Ų7439 Ų3945%0.44824%0.238SC..Hα-helixtrans-65.7-49.5173.6-178.90000110.1Y408 T475 D487 L491 G492Y408-V489 HydrophobicContact CD1-CG2 4.24Å; Y408-V489 HydrophobicContact CE1-CB 4.43Å; Y408-V489 HydrophobicContact CE1-CG2 3.46Å; Y408-V489 VanDerWaalsContact CE1-CG2 3.46Å; Y408-V489 HydrophobicContact CE2-CG2 4.02Å; Y408-V489 WeakPolarHBondContact OH-CG2 3.44Å; T475-V489 HydrophobicContact CG2-CG2 4.02Å; D487-V489 PolarHBondContact O-N 2.95Å; D487-V489 WeakPolarHBondContact OD1-CB 3.47Å; D487-V489 WeakPolarHBondContact OD1-CG2 3.34Å; D487-V489 PolarHBondContact OD1-N 3.16Å; V489-L491 VanDerWaalsContact C-N 3.32Å; V489-L491 PolarHBondContact O-N 3.23Å; V489-G492 PolarHBondContact O-N 2.89Å
490A90.4Very high91.9Very high87 Ų8738.6 Ų38.672%0.71924%0.235SC*.Hα-helixtrans-68.5-33.7-178.100000112D487 G492D487-A490 HydrophobicContact CB-CB 4.24Å; D487-A490 PolarHBondContact O-N 3.15Å; A490-G492 VanDerWaalsContact C-N 3.31Å
491L89.8Confident92.2Very high76 Ų7642.6 Ų42.640%0.39825%0.25SC..Hα-helixtrans-80.5-10.4176.7-64.9177.4000113.6D479 D487 M488 V489 I493D479-L491 HydrophobicContact CB-CD1 3.85Å; D479-L491 WeakPolarHBondContact OD2-CD1 3.14Å; D487-L491 WeakPolarHBondContact O-CG 3.4Å; D487-L491 PolarHBondContact O-N 3.3Å; D487-L491 VanDerWaalsContact O-N 3.1Å; M488-L491 HydrophobicContact CE-CD1 3.66Å; V489-L491 VanDerWaalsContact C-N 3.32Å; V489-L491 PolarHBondContact O-N 3.23Å; L491-I493 VanDerWaalsContact C-N 3.33Å; L491-I493 HydrophobicContact CB-CD1 4Å; L491-I493 HydrophobicContact CB-CG1 3.98Å; L491-I493 HydrophobicContact CD1-CD1 4.26Å; L491-I493 PolarHBondContact O-N 2.81Å
492G89.6Confident92.6Very high16 Ų1639.9 Ų39.917%0.16523%0.226CC..THydrogen-bonded Turntrans65.632.9-178.200000113.4N161 M488 V489 A490 T494N161-G492 WeakPolarHBondContact CB-O 3.46Å; M488-G492 PolarHBondContact O-N 3.27Å; V489-G492 PolarHBondContact O-N 2.89Å; A490-G492 VanDerWaalsContact C-N 3.31Å; G492-T494 PolarHBondContact O-N 3.2Å
493I92.9Very high93Very high39 Ų3932.8 Ų32.820%0.219%0.192CC..  trans-95.389.6179.5-57.6175.8000108.8T165 G409 M488 L491T165-I493 HydrophobicContact CG2-CG2 4.06Å; G409-I493 PolarHBondContact N-O 3.03Å; G409-I493 VanDerWaalsContact N-O 3.1Å; M488-I493 HydrophobicContact CB-CB 4.45Å; M488-I493 HydrophobicContact CE-CD1 4.22Å; M488-I493 PolarHBondContact O-N 3.4Å; M488-I493 HydrophobicContact SD-CB 3.89Å; M488-I493 HydrophobicContact SD-CD1 3.84Å; M488-I493 HydrophobicContact SD-CG1 4.38Å; M488-I493 HydrophobicContact SD-CG2 4.14Å; L491-I493 VanDerWaalsContact C-N 3.33Å; L491-I493 HydrophobicContact CB-CD1 4Å; L491-I493 HydrophobicContact CB-CG1 3.98Å; L491-I493 HydrophobicContact CD1-CD1 4.26Å; L491-I493 PolarHBondContact O-N 2.81Å
494T93Very high93.3Very high7 Ų731.9 Ų31.94%0.04318%0.183CC..EExtended strand (participates in β ladder)trans-115.5141.4179.555.80000110.7N161 I162 T165 V407 Y408 G492N161-T494 WeakPolarHBondContact CB-OG1 3.26Å; I162-T494 WeakPolarHBondContact CA-O 2.79Å; I162-T494 PolarHBondContact N-OG1 3.15Å; T165-T494 PolarHBondContact OG1-O 3.42Å; V407-T494 WeakPolarHBondContact O-CA 3.4Å; Y408-T494 HydrophobicContact CD1-CG2 4.39Å; Y408-T494 HydrophobicContact CE1-CG2 4.46Å; G492-T494 PolarHBondContact O-N 3.2Å
495E93.7Very high93.5Very high26 Ų2631.4 Ų31.412%0.12118%0.177CC..EExtended strand (participates in β ladder)trans-122.9159.5173.7-69.9-178.987.200109.8T165 V407 G409 K500T165-E495 HydrophobicContact CG2-CG 3.87Å; V407-E495 HydrophobicContact CG2-CB 4.45Å; V407-E495 PolarHBondContact N-O 3.44Å; V407-E495 PolarHBondContact O-N 2.89Å; G409-E495 WeakPolarHBondContact CA-OE2 3.41Å; E495-K500 VanDerWaalsContact OE1-CE 3.27Å; E495-K500 WeakPolarHBondContact OE1-CE 3.46Å; E495-K500 IonicContact OE1-NZ 2.79Å; E495-K500 PolarHBondContact OE1-NZ 2.9Å; E495-K500 WeakPolarHBondContact OE2-CE 3.39Å; E495-K500 IonicContact OE2-NZ 2.77Å; E495-K500 PolarHBondContact OE2-NZ 2.77Å
496S94.3Very high93.6Very high1 Ų130 Ų301%0.00717%0.17CC..EExtended strand (participates in β ladder)trans-69.1134.6175177.70000111T400 Q498 V499 K500T400-S496 WeakPolarHBondContact OG1-CB 3.36Å; T400-S496 PolarHBondContact OG1-OG 2.8Å; S496-Q498 PolarHBondContact O-N 3.47Å; S496-Q498 PolarHBondContact OG-N 3.31Å; S496-V499 PolarHBondContact O-N 3.22Å; S496-K500 PolarHBondContact O-N 3.41Å
497F94.9Very high93.7Very high5 Ų529.3 Ų29.32%0.02216%0.163CC..Hα-helixtrans-57.4-37.7173.4168.9-105.8000111.7L141 R142 A145 E403 R405 V407 V499 K500 R501L141-F497 HydrophobicContact CB-CE2 4.35Å; L141-F497 HydrophobicContact CD2-CD2 4.14Å; L141-F497 HydrophobicContact CD2-CE2 3.95Å; L141-F497 HydrophobicContact CG-CD2 3.93Å; L141-F497 HydrophobicContact CG-CE2 3.78Å; R142-F497 HydrophobicContact CB-CE2 4.21Å; R142-F497 HydrophobicContact CB-CZ 4.16Å; R142-F497 HydrophobicContact CG-CZ 4.39Å; A145-F497 HydrophobicContact CB-CD2 3.88Å; A145-F497 HydrophobicContact CB-CE2 4.43Å; A145-F497 HydrophobicContact CB-CG 4.3Å; E403-F497 HydrophobicContact CG-CD1 4.36Å; R405-F497 HydrophobicContact CB-CB 3.7Å; R405-F497 HydrophobicContact CB-CD1 4.15Å; R405-F497 HydrophobicContact CB-CG 4.06Å; R405-F497 WeakPolarHBondContact O-CB 3.43Å; R405-F497 PolarHBondContact O-N 3Å; V407-F497 HydrophobicContact CG1-CB 4.22Å; V407-F497 HydrophobicContact CG1-CD2 4.02Å; F497-V499 PolarHBondContact O-N 2.92Å; F497-K500 PolarHBondContact O-N 3.15Å; F497-R501 HydrophobicContact CE1-CB 4.41Å; F497-R501 HydrophobicContact CE2-CB 4.47Å; F497-R501 HydrophobicContact CZ-CB 4.26Å; F497-R501 HydrophobicContact CZ-CG 4.45Å; F497-R501 VanDerWaalsContact O-CB 3.22Å; F497-R501 WeakPolarHBondContact O-CB 3.48Å; F497-R501 PolarHBondContact O-N 3.1Å
498Q93.4Very high93.8Very high41 Ų4127 Ų2719%0.19215%0.151CC..Hα-helixtrans-64.1-40.4-178.7-173.4170.7-8.200111.8V95 E403 S496 R501 Q502V95-Q498 HydrophobicContact CG1-CG 4.4Å; V95-Q498 HydrophobicContact CG2-CG 4.36Å; E403-Q498 HydrophobicContact CG-CB 4.39Å; S496-Q498 PolarHBondContact O-N 3.47Å; S496-Q498 PolarHBondContact OG-N 3.31Å; Q498-R501 PolarHBondContact O-N 3.14Å; Q498-Q502 VanDerWaalsContact O-CB 3.31Å; Q498-Q502 WeakPolarHBondContact O-CB 3.47Å; Q498-Q502 PolarHBondContact O-N 3.1Å
499V94.1Very high93.9Very high4 Ų432.1 Ų32.12%0.02418%0.175CC..Hα-helixtrans-58.4-54.4175.9175.10000110.3V95 V396 S496 F497 R501 Q502 M503V95-V499 HydrophobicContact CB-CG2 4.42Å; V95-V499 HydrophobicContact CG1-CB 4.18Å; V95-V499 HydrophobicContact CG1-CG2 3.31Å; V396-V499 HydrophobicContact CG1-CG2 4.17Å; V396-V499 HydrophobicContact CG2-CG2 4.12Å; S496-V499 PolarHBondContact O-N 3.22Å; F497-V499 PolarHBondContact O-N 2.92Å; V499-R501 PolarHBondContact O-N 3.46Å; V499-Q502 PolarHBondContact O-N 3.42Å; V499-M503 VanDerWaalsContact O-CB 3.28Å; V499-M503 WeakPolarHBondContact O-CB 3.15Å; V499-M503 PolarHBondContact O-N 3.14Å
500K95Very high94.1Very high8 Ų828.6 Ų28.64%0.03515%0.154CC..Hα-helixtrans-66-38.8-178-67.6-60-173.2-171.90113L141 V407 E414 E495 S496 F497 M503 L504L141-K500 HydrophobicContact CD1-CB 4.16Å; L141-K500 HydrophobicContact CD2-CB 3.78Å; V407-K500 HydrophobicContact CG2-CB 4.32Å; V407-K500 HydrophobicContact CG2-CG 3.79Å; E414-K500 WeakPolarHBondContact OE1-CD 3.34Å; E414-K500 VanDerWaalsContact OE1-CE 3.31Å; E414-K500 WeakPolarHBondContact OE1-CE 3.41Å; E414-K500 IonicContact OE1-NZ 3.88Å; E414-K500 PolarHBondContact OE1-NZ 3.33Å; E414-K500 IonicContact OE2-NZ 3.96Å; E495-K500 VanDerWaalsContact OE1-CE 3.27Å; E495-K500 WeakPolarHBondContact OE1-CE 3.46Å; E495-K500 IonicContact OE1-NZ 2.79Å; E495-K500 PolarHBondContact OE1-NZ 2.9Å; E495-K500 WeakPolarHBondContact OE2-CE 3.39Å; E495-K500 IonicContact OE2-NZ 2.77Å; E495-K500 PolarHBondContact OE2-NZ 2.77Å; S496-K500 PolarHBondContact O-N 3.41Å; F497-K500 PolarHBondContact O-N 3.15Å; K500-M503 HydrophobicContact CD-CE 4.13Å; K500-M503 HydrophobicContact CD-SD 4.43Å; K500-M503 PolarHBondContact O-N 3.22Å; K500-L504 PolarHBondContact O-N 3.24Å
501R95.3Very high94.3Very high97 Ų9724.4 Ų24.437%0.36612%0.119SC..Hα-helixtrans-63-49176.9175.5-175.8162.8-161-5.5110.9L141 F497 Q498 V499 M503 L504 L505L141-R501 HydrophobicContact CD2-CB 4.14Å; F497-R501 HydrophobicContact CE1-CB 4.41Å; F497-R501 HydrophobicContact CE2-CB 4.47Å; F497-R501 HydrophobicContact CZ-CB 4.26Å; F497-R501 HydrophobicContact CZ-CG 4.45Å; F497-R501 VanDerWaalsContact O-CB 3.22Å; F497-R501 WeakPolarHBondContact O-CB 3.48Å; F497-R501 PolarHBondContact O-N 3.1Å; Q498-R501 PolarHBondContact O-N 3.14Å; V499-R501 PolarHBondContact O-N 3.46Å; R501-M503 VanDerWaalsContact C-N 3.3Å; R501-L504 PolarHBondContact O-N 2.88Å; R501-L505 HydrophobicContact CG-CD1 4.13Å; R501-L505 WeakPolarHBondContact O-CG 3.36Å; R501-L505 PolarHBondContact O-N 2.94Å
502Q95Very high94.5Very high48 Ų4822 Ų2222%0.22411%0.106CC..Hα-helixtrans-63.9-42.2178.8-170.665.111.800110.1V95 Q498 V499 L504 L505 S506V95-Q502 HydrophobicContact CG2-CB 3.96Å; V95-Q502 HydrophobicContact CG2-CG 4.06Å; Q498-Q502 VanDerWaalsContact O-CB 3.31Å; Q498-Q502 WeakPolarHBondContact O-CB 3.47Å; Q498-Q502 PolarHBondContact O-N 3.1Å; V499-Q502 PolarHBondContact O-N 3.42Å; Q502-L504 VanDerWaalsContact C-N 3.35Å; Q502-L504 PolarHBondContact O-N 3.36Å; Q502-L505 PolarHBondContact O-N 2.82Å; Q502-S506 PolarHBondContact NE2-OG 3.33Å; Q502-S506 VanDerWaalsContact O-CB 3.26Å; Q502-S506 WeakPolarHBondContact O-CB 3.23Å; Q502-S506 PolarHBondContact O-N 2.89Å; Q502-S506 PolarHBondContact O-OG 2.94Å
503M95.5Very high94.7Very high1 Ų126.4 Ų26.41%0.00512%0.123CC..Hα-helixtrans-54.2-49.9177.8178.9-160.27400112.5S101 V102 L105 L446 V499 K500 R501 A507S101-M503 WeakPolarHBondContact CB-SD 3.42Å; V102-M503 HydrophobicContact CG2-CB 3.92Å; V102-M503 HydrophobicContact CG2-CG 3.79Å; L105-M503 HydrophobicContact CD2-CE 4.12Å; L105-M503 HydrophobicContact CD2-CG 4.47Å; L446-M503 HydrophobicContact CD1-CE 4.14Å; L446-M503 HydrophobicContact CD1-SD 4.24Å; V499-M503 VanDerWaalsContact O-CB 3.28Å; V499-M503 WeakPolarHBondContact O-CB 3.15Å; V499-M503 PolarHBondContact O-N 3.14Å; K500-M503 HydrophobicContact CD-CE 4.13Å; K500-M503 HydrophobicContact CD-SD 4.43Å; K500-M503 PolarHBondContact O-N 3.22Å; R501-M503 VanDerWaalsContact C-N 3.3Å; M503-A507 VanDerWaalsContact O-CB 3.22Å; M503-A507 WeakPolarHBondContact O-CB 3.42Å; M503-A507 PolarHBondContact O-N 3.44Å
504L95.8Very high94.8Very high0 Ų024.8 Ų24.80%012%0.115CC..Hα-helixtrans-61.3-44.8179.5178.671.2000112.2T134 A137 R138 M417 F439 L443 K500 R501 Q502 S508T134-L504 HydrophobicContact CG2-CD2 4.49Å; T134-L504 HydrophobicContact CG2-CG 4.26Å; A137-L504 HydrophobicContact CB-CD1 4.19Å; A137-L504 HydrophobicContact CB-CD2 3.8Å; R138-L504 HydrophobicContact CB-CD2 4Å; M417-L504 HydrophobicContact SD-CD1 4.11Å; M417-L504 HydrophobicContact SD-CD2 3.88Å; M417-L504 HydrophobicContact SD-CG 4.44Å; F439-L504 HydrophobicContact CE1-CD1 4.03Å; F439-L504 HydrophobicContact CZ-CD1 3.78Å; L443-L504 HydrophobicContact CD2-CD1 4.32Å; K500-L504 PolarHBondContact O-N 3.24Å; R501-L504 PolarHBondContact O-N 2.88Å; Q502-L504 VanDerWaalsContact C-N 3.35Å; Q502-L504 PolarHBondContact O-N 3.36Å; L504-S508 WeakPolarHBondContact O-CB 3.45Å; L504-S508 PolarHBondContact O-N 3.06Å; L504-S508 VanDerWaalsContact O-N 3.16Å; L504-S508 PolarHBondContact O-OG 3.46Å
505L95.8Very high94.8Very high30 Ų3024.6 Ų24.616%0.15711%0.114CC..Hα-helixtrans-69.7-52.6-177.4-69.2174.2000111.2T134 R501 Q502 A507 S508 E509T134-L505 HydrophobicContact CG2-CD2 4.05Å; R501-L505 HydrophobicContact CG-CD1 4.13Å; R501-L505 WeakPolarHBondContact O-CG 3.36Å; R501-L505 PolarHBondContact O-N 2.94Å; Q502-L505 PolarHBondContact O-N 2.82Å; L505-A507 PolarHBondContact O-N 2.92Å; L505-S508 PolarHBondContact O-N 3.37Å; L505-E509 WeakPolarHBondContact O-CB 3.3Å; L505-E509 WeakPolarHBondContact O-CG 3.43Å; L505-E509 PolarHBondContact O-N 3.27Å
506S95.8Very high94.7Very high2 Ų229.4 Ų29.41%0.01413%0.131CC..Hα-helixtrans-57.2-45.6178.7-75.50000112.3M87 Q502 E509 A510M87-S506 WeakPolarHBondContact CE-O 2.98Å; M87-S506 WeakPolarHBondContact SD-CB 3.25Å; Q502-S506 PolarHBondContact NE2-OG 3.33Å; Q502-S506 VanDerWaalsContact O-CB 3.26Å; Q502-S506 WeakPolarHBondContact O-CB 3.23Å; Q502-S506 PolarHBondContact O-N 2.89Å; Q502-S506 PolarHBondContact O-OG 2.94Å; S506-E509 PolarHBondContact O-N 3.35Å; S506-A510 WeakPolarHBondContact O-CB 3.35Å; S506-A510 PolarHBondContact O-N 3.2Å
507A96Very high94.5Very high0 Ų031.7 Ų31.70%015%0.145CC..Hα-helixtrans-65.3-41.417800000112.5L105 A106 M503 L505 A511L105-A507 HydrophobicContact CB-CB 3.89Å; L105-A507 HydrophobicContact CD2-CB 3.73Å; L105-A507 HydrophobicContact CG-CB 3.74Å; A106-A507 HydrophobicContact CB-CB 4.12Å; M503-A507 VanDerWaalsContact O-CB 3.22Å; M503-A507 WeakPolarHBondContact O-CB 3.42Å; M503-A507 PolarHBondContact O-N 3.44Å; L505-A507 PolarHBondContact O-N 2.92Å; A507-A511 WeakPolarHBondContact O-CB 3.31Å; A507-A511 PolarHBondContact O-N 2.87Å
508S95.6Very high94.3Very high4 Ų436.3 Ų36.33%0.02817%0.17CC..Hα-helixtrans-64.9-44178.1-58.70000111.5T134 L504 L505 A511 E512T134-S508 WeakPolarHBondContact CG2-OG 3.49Å; T134-S508 WeakPolarHBondContact OG1-CB 3.48Å; T134-S508 PolarHBondContact OG1-OG 2.99Å; L504-S508 WeakPolarHBondContact O-CB 3.45Å; L504-S508 PolarHBondContact O-N 3.06Å; L504-S508 VanDerWaalsContact O-N 3.16Å; L504-S508 PolarHBondContact O-OG 3.46Å; L505-S508 PolarHBondContact O-N 3.37Å; S508-A511 PolarHBondContact O-N 2.8Å; S508-E512 WeakPolarHBondContact O-CG 3.48Å; S508-E512 PolarHBondContact O-N 2.86Å
509E95.1Very high94.2Very high108 Ų10836.9 Ų36.951%0.50517%0.174SC..Hα-helixtrans-63.8-45.1178.5-74.4179.1-177.100112M87 L505 S506 A511 E512 M513M87-E509 HydrophobicContact CE-CB 4.33Å; L505-E509 WeakPolarHBondContact O-CB 3.3Å; L505-E509 WeakPolarHBondContact O-CG 3.43Å; L505-E509 PolarHBondContact O-N 3.27Å; S506-E509 PolarHBondContact O-N 3.35Å; E509-A511 VanDerWaalsContact C-N 3.33Å; E509-A511 PolarHBondContact O-N 3.05Å; E509-E512 PolarHBondContact O-N 2.69Å; E509-M513 VanDerWaalsContact O-CG 3.32Å; E509-M513 WeakPolarHBondContact O-CG 3.34Å; E509-M513 PolarHBondContact O-N 2.99Å
510A94.8Very high94Very high0 Ų038 Ų380%018%0.18CC..Hα-helixtrans-59.8-44.917600000111.6L84 M87 A106 S506 M513 I514L84-A510 HydrophobicContact CD2-CB 4.02Å; M87-A510 HydrophobicContact CE-CB 3.99Å; M87-A510 HydrophobicContact CG-CB 4.29Å; A106-A510 HydrophobicContact CB-CB 4.33Å; S506-A510 WeakPolarHBondContact O-CB 3.35Å; S506-A510 PolarHBondContact O-N 3.2Å; A510-M513 PolarHBondContact O-N 2.81Å; A510-I514 WeakPolarHBondContact O-CG1 3.36Å; A510-I514 PolarHBondContact O-N 3.14Å
511A95.1Very high93.8Very high0 Ų042.4 Ų42.40%020%0.203CC..Hα-helixtrans-66-39.4179.500000111.9L109 L110 W130 A507 S508 E509 L515L109-A511 HydrophobicContact CB-CB 3.97Å; L109-A511 HydrophobicContact CD1-CB 4.08Å; L110-A511 HydrophobicContact CD2-CB 4.27Å; L110-A511 HydrophobicContact CG-CB 4.24Å; W130-A511 HydrophobicContact CE3-CB 4.35Å; W130-A511 HydrophobicContact CH2-CB 4.5Å; W130-A511 HydrophobicContact CZ3-CB 3.66Å; A507-A511 WeakPolarHBondContact O-CB 3.31Å; A507-A511 PolarHBondContact O-N 2.87Å; S508-A511 PolarHBondContact O-N 2.8Å; E509-A511 VanDerWaalsContact C-N 3.33Å; E509-A511 PolarHBondContact O-N 3.05Å; A511-L515 WeakPolarHBondContact O-CB 3.27Å; A511-L515 WeakPolarHBondContact O-CG 3.44Å; A511-L515 PolarHBondContact O-N 2.87Å
512E94.7Very high93.5Very high24 Ų2443.3 Ų43.311%0.11221%0.209CC..Hα-helixtrans-62.9-43.2173-77.9-168.7-152.700112.9I127 R131 S508 E509 L515 R516I127-E512 HydrophobicContact CG1-CG 4.45Å; I127-E512 HydrophobicContact CG2-CG 4.03Å; R131-E512 WeakPolarHBondContact CG-OE1 3.38Å; R131-E512 IonicContact CZ-OE2 3.1Å; R131-E512 IonicContact NE-OE1 2.62Å; R131-E512 PolarHBondContact NE-OE1 2.83Å; R131-E512 IonicContact NE-OE2 3.1Å; R131-E512 PolarHBondContact NE-OE2 2.91Å; R131-E512 IonicContact NH2-OE2 3.56Å; R131-E512 PolarHBondContact NH2-OE2 3.06Å; S508-E512 WeakPolarHBondContact O-CG 3.48Å; S508-E512 PolarHBondContact O-N 2.86Å; E509-E512 PolarHBondContact O-N 2.69Å; E512-L515 PolarHBondContact O-N 3.15Å; E512-R516 VanDerWaalsContact O-CG 3.3Å; E512-R516 WeakPolarHBondContact O-CG 3.4Å; E512-R516 PolarHBondContact O-N 3.19Å; E512-R516 IonicContact OE2-NH2 2.93Å; E512-R516 PolarHBondContact OE2-NH2 3.19Å
513M93.6Very high93.2Very high109 Ų10944.9 Ų44.954%0.53723%0.23SC..Hα-helixtrans-60.8-47.5178.8-76.6178.462.700110.8V83 E509 A510 R516V83-M513 HydrophobicContact CG1-CE 4.42Å; E509-M513 VanDerWaalsContact O-CG 3.32Å; E509-M513 WeakPolarHBondContact O-CG 3.34Å; E509-M513 PolarHBondContact O-N 2.99Å; A510-M513 PolarHBondContact O-N 2.81Å; M513-R516 PolarHBondContact O-N 3.38Å
514I93.8Very high92.7Very high5 Ų546.8 Ų46.83%0.02625%0.246CC..Hα-helixtrans-67.5-40.5-179.2-68165.9000111.1A32 A80 V83 L84 L110 A510 R516 V517A32-I514 HydrophobicContact CB-CD1 4.36Å; A80-I514 HydrophobicContact CB-CD1 4.14Å; A80-I514 HydrophobicContact CB-CG1 4.16Å; A80-I514 HydrophobicContact CB-CG2 4.16Å; V83-I514 HydrophobicContact CB-CD1 4.36Å; V83-I514 HydrophobicContact CB-CG1 4.49Å; V83-I514 HydrophobicContact CG1-CD1 4.4Å; V83-I514 HydrophobicContact CG1-CG1 4.45Å; L84-I514 HydrophobicContact CD2-CD1 4.3Å; L84-I514 HydrophobicContact CG-CD1 4.4Å; L110-I514 HydrophobicContact CD1-CB 4.24Å; L110-I514 HydrophobicContact CD1-CD1 3.61Å; L110-I514 HydrophobicContact CD1-CG2 4.09Å; L110-I514 HydrophobicContact CD2-CB 3.96Å; L110-I514 HydrophobicContact CD2-CG2 3.77Å; A510-I514 WeakPolarHBondContact O-CG1 3.36Å; A510-I514 PolarHBondContact O-N 3.14Å; I514-R516 PolarHBondContact O-N 2.99Å; I514-V517 WeakPolarHBondContact O-CB 3.25Å; I514-V517 PolarHBondContact O-N 3.28Å; I514-V517 VanDerWaalsContact O-N 3.1Å
515L92.7Very high92Very high4 Ų451.8 Ų51.82%0.02128%0.279CS..Hα-helixtrans-64.1-24.7178.9-87.7168.7000114.8F29 L110 A113 I117 I126 I127 W130 A511 E512 V517F29-L515 HydrophobicContact CE1-CD2 4.02Å; F29-L515 HydrophobicContact CZ-CD2 3.85Å; L110-L515 HydrophobicContact CD2-CG 4.19Å; A113-L515 HydrophobicContact CB-CD1 4.07Å; A113-L515 HydrophobicContact CB-CD2 3.7Å; A113-L515 HydrophobicContact CB-CG 4.29Å; I117-L515 HydrophobicContact CD1-CD2 3.77Å; I126-L515 HydrophobicContact CG2-CD1 4.13Å; I127-L515 HydrophobicContact CD1-CB 4.01Å; I127-L515 HydrophobicContact CG1-CB 4.15Å; I127-L515 HydrophobicContact CG1-CD1 4.23Å; W130-L515 HydrophobicContact CE3-CD1 3.74Å; W130-L515 HydrophobicContact CH2-CD1 3.59Å; W130-L515 HydrophobicContact CZ3-CD1 3.12Å; W130-L515 HydrophobicContact CZ3-CG 4.36Å; A511-L515 WeakPolarHBondContact O-CB 3.27Å; A511-L515 WeakPolarHBondContact O-CG 3.44Å; A511-L515 PolarHBondContact O-N 2.87Å; E512-L515 PolarHBondContact O-N 3.15Å; L515-V517 VanDerWaalsContact C-N 3.29Å
516R91.7Very high91.4Very high126 Ų12661.9 Ų61.948%0.47532%0.315SS..THydrogen-bonded Turntrans-77.9-15.7177.2-72.3172.6-172.8-151.9-0.1113.1I127 R131 E512 M513 I514 D518I127-R516 HydrophobicContact CD1-CG 3.6Å; R131-R516 VanDerWaalsContact CZ-NH2 3.27Å; E512-R516 VanDerWaalsContact O-CG 3.3Å; E512-R516 WeakPolarHBondContact O-CG 3.4Å; E512-R516 PolarHBondContact O-N 3.19Å; E512-R516 IonicContact OE2-NH2 2.93Å; E512-R516 PolarHBondContact OE2-NH2 3.19Å; M513-R516 PolarHBondContact O-N 3.38Å; I514-R516 PolarHBondContact O-N 2.99Å; R516-D518 PolarHBondContact O-N 3.35Å
517V90.9Very high90.5Very high49 Ų4970.8 Ų70.830%0.29735%0.353SS..  trans-73.3117.1-178.9-177.20000109.3I514 L515 I520I514-V517 WeakPolarHBondContact O-CB 3.25Å; I514-V517 PolarHBondContact O-N 3.28Å; I514-V517 VanDerWaalsContact O-N 3.1Å; L515-V517 VanDerWaalsContact C-N 3.29Å; V517-I520 HydrophobicContact CG1-CG1 3.95Å
518D90.8Very high89.4Confident103 Ų10382.4 Ų82.455%0.55140%0.397SS*.  trans-112.6-13.6174.674.7-39.2000113.2A21 R516A21-D518 WeakPolarHBondContact CA-O 3.48Å; A21-D518 PolarHBondContact N-O 3.46Å; R516-D518 PolarHBondContact O-N 3.35Å
519N91.2Very high88.4Confident53 Ų5387.9 Ų87.928%0.28343%0.43SS..EExtended strand (participates in β ladder)trans-144.6133.2178.7-161.4-8.5000110.8E18 E19E18-N519 WeakPolarHBondContact CG-OD1 3.34Å; E18-N519 PolarHBondContact OE1-ND2 3.05Å; E19-N519 WeakPolarHBondContact O-CA 3.13Å; E19-N519 PolarHBondContact O-OD1 2.97Å
520I90.1Very high87.3Confident28 Ų2886.9 Ų86.914%0.14443%0.433CS..EExtended strand (participates in β ladder)trans-115.3114.9174.5-57.7172.4000107.9E18 E19 A24 P79 V517E18-I520 WeakPolarHBondContact CA-O 2.83Å; E19-I520 HydrophobicContact CB-CB 4.3Å; E19-I520 PolarHBondContact N-O 3.09Å; E19-I520 PolarHBondContact O-N 3.1Å; A24-I520 HydrophobicContact CB-CD1 4.18Å; A24-I520 HydrophobicContact CB-CG1 3.93Å; P79-I520 HydrophobicContact CG-CD1 4.09Å; P79-I520 HydrophobicContact CG-CG2 4.05Å; V517-I520 HydrophobicContact CG1-CG1 3.95Å
521I91Very high86Confident99 Ų9993.1 Ų93.151%0.50847%0.466SS..EExtended strand (participates in β ladder)trans-112.1113.6-179.7-58.1168.7000108.6F12 E18F12-I521 HydrophobicContact CD1-CG2 4.46Å; F12-I521 HydrophobicContact CE1-CD1 4.48Å; F12-I521 HydrophobicContact CE1-CG2 3.97Å; F12-I521 HydrophobicContact CZ-CD1 4.47Å; E18-I521 HydrophobicContact CG-CG1 4.17Å
522K88.4Confident84.8Confident117 Ų117100.7 Ų100.751%0.50950%0.501SS..EExtended strand (participates in β ladder)trans-99.5118.6178-168.5173.5-177.8175.80109.9A16 D17A16-K522 VanDerWaalsContact CA-O 3.25Å; A16-K522 WeakPolarHBondContact CA-O 2.91Å; A16-K522 WeakPolarHBondContact CB-O 3.2Å; D17-K522 HydrophobicContact CB-CB 4.35Å; D17-K522 PolarHBondContact N-O 3.07Å; D17-K522 PolarHBondContact O-N 3.3Å
523A88.1Confident83.3Confident81 Ų81106.7 Ų106.767%0.66953%0.529SS*.PPolyproline II helixtrans-66.4147.3173.400000110.9
524A84.8Confident81.8Confident41 Ų41107.3 Ų107.334%0.33954%0.541SS..PPolyproline II helixtrans-56.6130.1176.800000110.6G15G15-A524 WeakPolarHBondContact O-CA 3.42Å
525P82Confident79.9Confident105 Ų105116.8 Ų116.868%0.68261%0.606SS**PPolyproline II helixtrans-60.5142.4-178.624-32.4000110.2K527P525-K527 PolarHBondContact O-N 3.24Å
526R83.3Confident79.3Confident241 Ų241122.4 Ų122.491%0.90964%0.635SS**PPolyproline II helixtrans-59.5117.4178.2-172.1176.9-178.6179.30.2108.8R528R526-R528 PolarHBondContact O-N 3.38Å; R526-R528 VanDerWaalsContact O-N 3.14Å
527K76.8Confident78.7Confident189 Ų189122.2 Ų122.282%0.82264%0.643SS**PPolyproline II helixtrans-59.7118.9172.2-67.6-175179.9-177.80107.9P525 V529P525-K527 PolarHBondContact O-N 3.24Å; K527-V529 PolarHBondContact O-N 3.01Å; K527-V529 VanDerWaalsContact O-N 3.15Å
528R72.9Confident78Confident245 Ų245126.3 Ų126.393%0.92566%0.662SS**  trans-66.2112.6170-68.4-174.6-179.6-174.80.2106.5R526R526-R528 PolarHBondContact O-N 3.38Å; R526-R528 VanDerWaalsContact O-N 3.14Å
529V75.4Confident77.2Confident118 Ų118127.6 Ų127.672%0.71567%0.669SS**  trans-67.4130.2169.6-172.20000105.7K527 D531K527-V529 PolarHBondContact O-N 3.01Å; K527-V529 VanDerWaalsContact O-N 3.15Å; V529-D531 PolarHBondContact O-N 3.18Å
530P70.4Confident76.4Confident87 Ų87132.3 Ų132.357%0.56569%0.693SS**  trans-53.4126.4172.2-19.730000108.2H532P530-H532 PolarHBondContact O-CD2 3.09Å; P530-H532 PolarHBondContact O-N 2.83Å
531D68.9Low75.4Confident132 Ų132139.3 Ų139.371%0.70673%0.73SS**  trans-67.8106.4175.6-158.1-9.6000107.2V529 H533V529-D531 PolarHBondContact O-N 3.18Å; D531-H533 IonicContact OD1-CD2 2.75Å; D531-H533 PolarHBondContact OD1-CD2 2.91Å; D531-H533 IonicContact OD1-CG 2.75Å; D531-H533 PolarHBondContact OD1-N 3.14Å
532H68.5Low74.3Confident158 Ų158142.1 Ų142.173%0.73175%0.745SS**  trans-8912.3179.4-71.7-60000111.7P530 P534P530-H532 PolarHBondContact O-CD2 3.09Å; P530-H532 PolarHBondContact O-N 2.83Å; H532-P534 WeakPolarHBondContact O-CD 3.34Å
533H63Low73.2Confident150 Ų150144.1 Ų144.169%0.69476%0.764SS**  trans-62.6121.7169.7-80-51.6000109.6D531 C535D531-H533 IonicContact OD1-CD2 2.75Å; D531-H533 PolarHBondContact OD1-CD2 2.91Å; D531-H533 IonicContact OD1-CG 2.75Å; D531-H533 PolarHBondContact OD1-N 3.14Å; H533-C535 PolarHBondContact O-N 3.07Å
534P64Low72Confident122 Ų122149.3 Ų149.379%0.79277%0.772SS**  trans-62.1122172.524.5-29.9000108.1H532H532-P534 WeakPolarHBondContact O-CD 3.34Å
535C54Low70.8Confident204 Ų204159.2 Ų159.2100%1.37881%0.811SS**  trans-59.20172.8-620000112.1H533H533-C535 PolarHBondContact O-N 3.07Å

Retrieved 535 of 535 residues in 469.8 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).