CESA8_ARATH Loading...

Cellulose synthase A catalytic subunit 8 [UDP-forming]

Catalytic subunit of cellulose synthase terminal complexes ('rosettes'), required for beta-1,4-glucan microfibril crystallization, a major mechanism of the cell wall formation. Involved in the secondary cell wall formation. Required for the xylem cell wall thickening.

AlphaFold DB , UniProt , Accession Q8LPK5, Species ARATH (Arabidopsis thaliana, Mouse-ear cress), Gene CESA8, Length 985 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
1M34.1Very low60.4Low247 Ų247115.8 Ų115.8100%1.21758%0.582SS**  098.40-81.1172.3155.100107.6
2M29.5Very low62.4Low195 Ų195108.2 Ų108.296%0.96155%0.547SS*.  trans-87.2116164.5-82.1177.7167.400106S4M2-S4 PolarHBondContact O-N 2.95Å
3E34.6Very low63.4Low186 Ų186103.8 Ų103.887%0.86955%0.545SS*.  trans-60.6119.2170.3-76174.4155.500108.6R5E3-R5 PolarHBondContact O-N 3.01Å
4S44Very low64.6Low109 Ų109105.7 Ų105.776%0.76255%0.55SS**  trans-68.398.4173.855.50000108.7M2 S6M2-S4 PolarHBondContact O-N 2.95Å; S4-S6 PolarHBondContact O-N 3.1Å
5R56.9Low65.8Low240 Ų240108.1 Ų108.191%0.90656%0.557SS**PPolyproline II helixtrans-56.1131.7172.4-78-179.7172176.5-2.8109.9E3E3-R5 PolarHBondContact O-N 3.01Å
6S65.1Low66.9Low29 Ų29101.8 Ų101.820%0.20353%0.525CS..PPolyproline II helixtrans-59.8139174.553.20000110.3S4 E15S4-S6 PolarHBondContact O-N 3.1Å; S6-E15 WeakPolarHBondContact OG-CG 3.47Å; S6-E15 PolarHBondContact OG-OE2 3.01Å
7P75.2Confident67.5Low45 Ų4598.4 Ų98.429%0.29252%0.521SS..PPolyproline II helixtrans-66.8140.2176.525.7-29.8000110.2I16 F24P7-I16 HydrophobicContact CB-CD1 4.23Å; P7-I16 HydrophobicContact CG-CB 4.34Å; P7-I16 HydrophobicContact CG-CD1 4.39Å; P7-I16 VanDerWaalsContact O-CB 3.32Å; P7-I16 WeakPolarHBondContact O-CB 3.38Å; P7-I16 WeakPolarHBondContact O-CG1 3.27Å; P7-I16 PolarHBondContact O-N 3.22Å; P7-F24 HydrophobicContact CG-CB 4.35Å; P7-F24 HydrophobicContact CG-CD1 4.06Å; P7-F24 HydrophobicContact CG-CD2 4.21Å; P7-F24 HydrophobicContact CG-CE1 4.44Å; P7-F24 HydrophobicContact CG-CG 3.94Å
8I84.4Confident67.9Low99 Ų9997.7 Ų97.751%0.50852%0.521SS..BIsolated β-bridgetrans-97.5137.5-175.9-42174.3000108.8N10 G13 E14 P34I8-N10 PolarHBondContact O-N 2.76Å; I8-G13 WeakPolarHBondContact CG2-O 3.21Å; I8-E14 WeakPolarHBondContact CG2-O 3.48Å; I8-P34 VanDerWaalsContact O-CB 3.27Å; I8-P34 WeakPolarHBondContact O-CB 3.38Å
9C84.2Confident68.4Low2 Ų295.4 Ų95.41%0.01451%0.506CS..PPolyproline II helixtrans-61.8122.9176175.40000110.5T11 C12 G13 E14 I16 C36C9-T11 PolarHBondContact O-N 3.18Å; C9-T11 PolarHBondContact SG-N 3.19Å; C9-C12 VanDerWaalsContact CB-SG 3.57Å; C9-C12 PolarHBondContact SG-SG 3.06Å; C9-G13 WeakPolarHBondContact O-CA 3.21Å; C9-G13 PolarHBondContact O-N 3.08Å; C9-E14 WeakPolarHBondContact CB-O 3.49Å; C9-E14 PolarHBondContact N-O 2.72Å; C9-I16 HydrophobicContact CB-CG1 4.17Å; C9-C36 HydrophobicContact CB-CB 3.99Å; C9-C36 PolarHBondContact SG-N 3.26Å; C9-C36 VanDerWaalsContact SG-SG 3.7Å
10N78.2Confident68.5Low96 Ų9696.4 Ų96.451%0.51352%0.521SS..THydrogen-bonded Turntrans-70.3-16.5-179.3-78.8-30.4000113.7I8 F33 P34I8-N10 PolarHBondContact O-N 2.76Å; N10-F33 HydrophobicContact CB-CE1 4.21Å; N10-F33 HydrophobicContact CB-CE2 3.89Å; N10-F33 HydrophobicContact CB-CZ 3.5Å; N10-F33 VanDerWaalsContact CB-CZ 3.5Å; N10-F33 WeakPolarHBondContact ND2-CE2 3.29Å; N10-P34 WeakPolarHBondContact CB-O 3.4Å; N10-P34 PolarHBondContact N-O 3.03Å; N10-P34 WeakPolarHBondContact ND2-CD 3.31Å
11T78.5Confident68.6Low26 Ų2696.4 Ų96.416%0.1652%0.521CS..THydrogen-bonded Turntrans-88.9-48.3179.7-52.30000112.4C9 C39C9-T11 PolarHBondContact O-N 3.18Å; C9-T11 PolarHBondContact SG-N 3.19Å; T11-C39 HydrophobicContact CG2-CB 4.22Å
12C83.6Confident70.4Confident24 Ų2487.4 Ų87.416%0.16249%0.492CS..THydrogen-bonded Turntrans-105.6-19.3-176.466.30000114.6C9 C36C9-C12 VanDerWaalsContact CB-SG 3.57Å; C9-C12 PolarHBondContact SG-SG 3.06Å; C12-C36 VanDerWaalsContact SG-SG 3.61Å
13G75.6Confident72.6Confident51 Ų5184.1 Ų84.153%0.52647%0.474SS..  trans79.710.7-176.100000115.1I8 C9I8-G13 WeakPolarHBondContact CG2-O 3.21Å; C9-G13 WeakPolarHBondContact O-CA 3.21Å; C9-G13 PolarHBondContact O-N 3.08Å
14E80.9Confident74.8Confident131 Ų13179.3 Ų79.361%0.61245%0.45SS*.SBendtrans-91.8157.2174.6-61.6-173.3162.400111.8I8 C9I8-E14 WeakPolarHBondContact CG2-O 3.48Å; C9-E14 WeakPolarHBondContact CB-O 3.49Å; C9-E14 PolarHBondContact N-O 2.72Å
15E82.1Confident76.7Confident141 Ų14174.9 Ų74.966%0.65942%0.417SS*.BIsolated β-bridgetrans-61.5139.2177.8-66.2-171.9-168.400111.8S6 G17S6-E15 WeakPolarHBondContact OG-CG 3.47Å; S6-E15 PolarHBondContact OG-OE2 3.01Å; E15-G17 PolarHBondContact O-N 3.29Å
16I83.5Confident78Confident7 Ų765.3 Ų65.34%0.03639%0.385CS..PPolyproline II helixtrans-74.9117.8177.9-66.7177000108.7P7 C9 F25 P34P7-I16 HydrophobicContact CB-CD1 4.23Å; P7-I16 HydrophobicContact CG-CB 4.34Å; P7-I16 HydrophobicContact CG-CD1 4.39Å; P7-I16 VanDerWaalsContact O-CB 3.32Å; P7-I16 WeakPolarHBondContact O-CB 3.38Å; P7-I16 WeakPolarHBondContact O-CG1 3.27Å; P7-I16 PolarHBondContact O-N 3.22Å; C9-I16 HydrophobicContact CB-CG1 4.17Å; I16-F25 HydrophobicContact CG2-CB 3.88Å; I16-F25 VanDerWaalsContact CG2-O 3.3Å; I16-F25 WeakPolarHBondContact CG2-O 3.27Å; I16-P34 HydrophobicContact CD1-CB 3.33Å
17G77Confident78.7Confident45 Ų4564 Ų6446%0.46438%0.376SS..PPolyproline II helixtrans-57.1151.3176.300000112.6E15 F25E15-G17 PolarHBondContact O-N 3.29Å; G17-F25 VanDerWaalsContact O-CB 3.27Å; G17-F25 WeakPolarHBondContact O-CB 3.18Å; G17-F25 PolarHBondContact O-N 3.24Å
18V75.8Confident79.1Confident86 Ų8662 Ų6252%0.52136%0.363SS..BIsolated β-bridgetrans-89.8138.2177.9-167.30000108.6G22 E23 F24V18-G22 VanDerWaalsContact CG1-CA 3.46Å; V18-G22 WeakPolarHBondContact CG1-O 3.36Å; V18-E23 CarbonylContact C-O 3.53Å; V18-E23 WeakPolarHBondContact CA-O 3.05Å; V18-E23 VanDerWaalsContact CG1-O 3.29Å; V18-E23 WeakPolarHBondContact CG1-O 3.43Å; V18-F24 HydrophobicContact CG2-CD1 4.17Å; V18-F24 HydrophobicContact CG2-CE1 4.19Å
19K76.2Confident79Confident54 Ų5462.9 Ų62.924%0.23537%0.365CS..PPolyproline II helixtrans-66.2166.2170.7-69.4-172.5-179.5-166.80110.4N21 G22 E23 F25K19-N21 WeakPolarHBondContact CB-OD1 3.3Å; K19-N21 PolarHBondContact O-N 3.37Å; K19-N21 VanDerWaalsContact O-N 3.1Å; K19-G22 PolarHBondContact O-N 3.22Å; K19-E23 WeakPolarHBondContact CB-O 3.44Å; K19-E23 PolarHBondContact N-O 2.88Å; K19-F25 HydrophobicContact CG-CB 4.48Å
20S70.2Confident79Confident115 Ų11569.9 Ų69.980%0.80440%0.397SS*.THydrogen-bonded Turntrans-59.1-21178.348.90000114
21N71.7Confident79.2Confident97 Ų9766.8 Ų66.852%0.51938%0.383SS..THydrogen-bonded Turntrans-86.40.5176.570.8-12000114.4K19 E23K19-N21 WeakPolarHBondContact CB-OD1 3.3Å; K19-N21 PolarHBondContact O-N 3.37Å; K19-N21 VanDerWaalsContact O-N 3.1Å; N21-E23 PolarHBondContact ND2-OE2 3.32Å; N21-E23 WeakPolarHBondContact OD1-CB 3.32Å; N21-E23 PolarHBondContact OD1-N 3.44Å; N21-E23 VanDerWaalsContact OD1-N 3.08Å
22G71.8Confident79.5Confident58 Ų5869.1 Ų69.160%0.59840%0.4SS*.SBendtrans86.70.7-17900000115.2V18 K19V18-G22 VanDerWaalsContact CG1-CA 3.46Å; V18-G22 WeakPolarHBondContact CG1-O 3.36Å; K19-G22 PolarHBondContact O-N 3.22Å
23E76.1Confident79.5Confident125 Ų12569.1 Ų69.158%0.58440%0.398SS*.SBendtrans-93.7149.7176-62.6179.7153.100111.9V18 K19 N21V18-E23 CarbonylContact C-O 3.53Å; V18-E23 WeakPolarHBondContact CA-O 3.05Å; V18-E23 VanDerWaalsContact CG1-O 3.29Å; V18-E23 WeakPolarHBondContact CG1-O 3.43Å; K19-E23 WeakPolarHBondContact CB-O 3.44Å; K19-E23 PolarHBondContact N-O 2.88Å; N21-E23 PolarHBondContact ND2-OE2 3.32Å; N21-E23 WeakPolarHBondContact OD1-CB 3.32Å; N21-E23 PolarHBondContact OD1-N 3.44Å; N21-E23 VanDerWaalsContact OD1-N 3.08Å
24F79Confident79.9Confident85 Ų8568.3 Ų68.337%0.37338%0.383SS..BIsolated β-bridgetrans-62.3143.1177-64.9-66.7000111.7P7 V18 V26P7-F24 HydrophobicContact CG-CB 4.35Å; P7-F24 HydrophobicContact CG-CD1 4.06Å; P7-F24 HydrophobicContact CG-CD2 4.21Å; P7-F24 HydrophobicContact CG-CE1 4.44Å; P7-F24 HydrophobicContact CG-CG 3.94Å; V18-F24 HydrophobicContact CG2-CD1 4.17Å; V18-F24 HydrophobicContact CG2-CE1 4.19Å; F24-V26 PolarHBondContact O-N 3.44Å
25F84.7Confident80.1Confident17 Ų1762 Ų628%0.07535%0.354CS..PPolyproline II helixtrans-62.7119.4173.4175.2-94.2000110.9I16 G17 K19 A27 I35 K37 L40 V62I16-F25 HydrophobicContact CG2-CB 3.88Å; I16-F25 VanDerWaalsContact CG2-O 3.3Å; I16-F25 WeakPolarHBondContact CG2-O 3.27Å; G17-F25 VanDerWaalsContact O-CB 3.27Å; G17-F25 WeakPolarHBondContact O-CB 3.18Å; G17-F25 PolarHBondContact O-N 3.24Å; K19-F25 HydrophobicContact CG-CB 4.48Å; F25-A27 HydrophobicContact CE1-CB 4.02Å; F25-A27 HydrophobicContact CZ-CB 4.4Å; F25-I35 WeakPolarHBondContact CD1-O 3.32Å; F25-I35 VanDerWaalsContact CE1-O 3.27Å; F25-I35 WeakPolarHBondContact CE1-O 3.48Å; F25-K37 HydrophobicContact CD2-CB 4.44Å; F25-K37 HydrophobicContact CE1-CB 4.24Å; F25-K37 HydrophobicContact CE2-CB 4.1Å; F25-K37 HydrophobicContact CE2-CG 4.09Å; F25-K37 HydrophobicContact CZ-CB 3.99Å; F25-K37 HydrophobicContact CZ-CG 4.17Å; F25-L40 HydrophobicContact CE1-CD2 4.3Å; F25-L40 HydrophobicContact CZ-CD2 3.75Å; F25-V62 HydrophobicContact CE2-CG1 3.45Å; F25-V62 VanDerWaalsContact CE2-CG1 3.45Å; F25-V62 HydrophobicContact CZ-CG1 3.47Å; F25-V62 VanDerWaalsContact CZ-CG1 3.47Å
26V83.9Confident80.4Confident39 Ų3956 Ų5624%0.23633%0.327CS..  trans-116.3115.3177178.80000108.5F24 C28F24-V26 PolarHBondContact O-N 3.44Å; V26-C28 WeakPolarHBondContact CG1-O 3.21Å
27A81.1Confident80.5Confident0 Ų060 Ų600%034%0.344CS..SBendtrans-82.1-35.7178.400000113.1F25 I35 L40 Y58F25-A27 HydrophobicContact CE1-CB 4.02Å; F25-A27 HydrophobicContact CZ-CB 4.4Å; A27-I35 HydrophobicContact CB-CG2 3.26Å; A27-L40 HydrophobicContact CB-CD1 3.95Å; A27-L40 HydrophobicContact CB-CD2 3.71Å; A27-L40 HydrophobicContact CB-CG 4.37Å; A27-Y58 HydrophobicContact CB-CD1 3.87Å; A27-Y58 HydrophobicContact CB-CE1 3.73Å; A27-Y58 WeakPolarHBondContact O-CD1 3.08Å
28C83.3Confident80.8Confident4 Ų461.1 Ų61.13%0.02735%0.349CS..  trans-118.4108.7-179.7176.50000109.6V26 E30 S32 C51 C54 Y58V26-C28 WeakPolarHBondContact CG1-O 3.21Å; C28-E30 PolarHBondContact O-N 2.95Å; C28-S32 WeakPolarHBondContact O-CA 3.47Å; C28-S32 PolarHBondContact O-N 3.41Å; C28-C51 HydrophobicContact CB-CB 4.02Å; C28-C51 VanDerWaalsContact CB-SG 3.53Å; C28-C54 PolarHBondContact SG-SG 3.16Å; C28-Y58 HydrophobicContact CB-CD1 4.22Å; C28-Y58 HydrophobicContact CB-CE1 4.12Å
29H82.3Confident81.2Confident117 Ų11758 Ų5854%0.54233%0.331SS..THydrogen-bonded Turntrans-68.4-22.2-179.1-69.8-68.8000113.4
30E82.7Confident81.7Confident149 Ų14955.4 Ų55.470%0.69632%0.319SS*.THydrogen-bonded Turntrans-74.8-44.3-179.4-69.9-67157.300113.2C28 N56C28-E30 PolarHBondContact O-N 2.95Å; E30-N56 HydrophobicContact CG-CB 4.49Å; E30-N56 WeakPolarHBondContact CG-ND2 3.36Å
31C83.5Confident82.4Confident32 Ų3253.7 Ų53.722%0.21630%0.299CS..THydrogen-bonded Turntrans-122.74.3-175.273.60000114.7F33 C54C31-F33 PolarHBondContact O-N 3.03Å; C31-F33 VanDerWaalsContact O-N 3.15Å; C31-C54 HydrophobicContact CB-CB 3.98Å
32S83.6Confident82.9Confident75 Ų7552.8 Ų52.852%0.52429%0.288SS..  trans48.340.2-178.6-630000113.1C28 P34C28-S32 WeakPolarHBondContact O-CA 3.47Å; C28-S32 PolarHBondContact O-N 3.41Å; S32-P34 VanDerWaalsContact O-CD 3.25Å; S32-P34 WeakPolarHBondContact O-CD 3.19Å
33F84.3Confident83.3Confident24 Ų2450.7 Ų50.711%0.10526%0.263CS..  trans-61.1121.2-176.4-177.9-111.7000110.9N10 C31 I35 L52 R53N10-F33 HydrophobicContact CB-CE1 4.21Å; N10-F33 HydrophobicContact CB-CE2 3.89Å; N10-F33 HydrophobicContact CB-CZ 3.5Å; N10-F33 VanDerWaalsContact CB-CZ 3.5Å; N10-F33 WeakPolarHBondContact ND2-CE2 3.29Å; C31-F33 PolarHBondContact O-N 3.03Å; C31-F33 VanDerWaalsContact O-N 3.15Å; F33-I35 HydrophobicContact CD1-CB 4.1Å; F33-I35 HydrophobicContact CD1-CG2 4.34Å; F33-I35 HydrophobicContact CE1-CB 4.22Å; F33-I35 PolarHBondContact O-N 3.26Å; F33-L52 HydrophobicContact CD1-CB 4.31Å; F33-L52 HydrophobicContact CE1-CB 3.76Å; F33-L52 HydrophobicContact CE1-CD1 4.02Å; F33-L52 HydrophobicContact CE1-CG 4.44Å; F33-L52 HydrophobicContact CZ-CB 4.1Å; F33-R53 HydrophobicContact CB-CB 4.21Å; F33-R53 HydrophobicContact CD2-CB 3.49Å; F33-R53 VanDerWaalsContact CD2-CB 3.49Å; F33-R53 HydrophobicContact CD2-CG 4.2Å; F33-R53 HydrophobicContact CE2-CB 3.96Å; F33-R53 HydrophobicContact CG-CB 3.93Å
34P83.8Confident83.6Confident33 Ų3346.6 Ų46.621%0.21424%0.243CC..  trans-66.2101.6-179.8-20.731.7000111.9I8 N10 I16 S32I8-P34 VanDerWaalsContact O-CB 3.27Å; I8-P34 WeakPolarHBondContact O-CB 3.38Å; N10-P34 WeakPolarHBondContact CB-O 3.4Å; N10-P34 PolarHBondContact N-O 3.03Å; N10-P34 WeakPolarHBondContact ND2-CD 3.31Å; I16-P34 HydrophobicContact CD1-CB 3.33Å; S32-P34 VanDerWaalsContact O-CD 3.25Å; S32-P34 WeakPolarHBondContact O-CD 3.19Å
35I86.3Confident83.8Confident0 Ų050.8 Ų50.80%026%0.261CS..  trans-140.3133.3172.9-169.4173.5000109.5F25 A27 F33 C39 L40 E43 L52F25-I35 WeakPolarHBondContact CD1-O 3.32Å; F25-I35 VanDerWaalsContact CE1-O 3.27Å; F25-I35 WeakPolarHBondContact CE1-O 3.48Å; A27-I35 HydrophobicContact CB-CG2 3.26Å; F33-I35 HydrophobicContact CD1-CB 4.1Å; F33-I35 HydrophobicContact CD1-CG2 4.34Å; F33-I35 HydrophobicContact CE1-CB 4.22Å; F33-I35 PolarHBondContact O-N 3.26Å; I35-C39 HydrophobicContact CD1-CB 4Å; I35-C39 HydrophobicContact CG1-CB 3.64Å; I35-L40 HydrophobicContact CG2-CD1 4.49Å; I35-E43 HydrophobicContact CD1-CG 4.41Å; I35-L52 HydrophobicContact CD1-CD1 4Å
36C87.9Confident83.5Confident13 Ų1354.8 Ų54.89%0.08828%0.281CS..  trans-77155.7178.371.70000111.6C9 C12 A38 C39 L40C9-C36 HydrophobicContact CB-CB 3.99Å; C9-C36 PolarHBondContact SG-N 3.26Å; C9-C36 VanDerWaalsContact SG-SG 3.7Å; C12-C36 VanDerWaalsContact SG-SG 3.61Å; C36-A38 VanDerWaalsContact C-N 3.3Å; C36-A38 PolarHBondContact O-N 3.36Å; C36-C39 PolarHBondContact O-N 3.29Å; C36-L40 PolarHBondContact O-N 3.15Å
37K86.1Confident83.3Confident92 Ų9255.8 Ų55.840%0.430%0.299SS..Hα-helixtrans-51.6-44.8-178.5-167.9177.1-176.9175.20113F25 C39 L40 E41 F63F25-K37 HydrophobicContact CD2-CB 4.44Å; F25-K37 HydrophobicContact CE1-CB 4.24Å; F25-K37 HydrophobicContact CE2-CB 4.1Å; F25-K37 HydrophobicContact CE2-CG 4.09Å; F25-K37 HydrophobicContact CZ-CB 3.99Å; F25-K37 HydrophobicContact CZ-CG 4.17Å; K37-C39 PolarHBondContact O-N 3.33Å; K37-L40 PolarHBondContact O-N 3.4Å; K37-L40 VanDerWaalsContact O-N 3.16Å; K37-E41 PolarHBondContact O-N 3.3Å; K37-F63 HydrophobicContact CD-CD1 4.46Å; K37-F63 VanDerWaalsContact CE-CD1 3.49Å; K37-F63 HydrophobicContact CG-CD1 4.09Å; K37-F63 HydrophobicContact CG-CE1 3.79Å
38A83.5Confident83Confident69 Ų6962.4 Ų62.457%0.5732%0.324SS*.Hα-helixtrans-63.1-37.7179.100000113.3C36 Y42C36-A38 VanDerWaalsContact C-N 3.3Å; C36-A38 PolarHBondContact O-N 3.36Å; A38-Y42 PolarHBondContact O-N 3.44Å
39C84.1Confident83.1Confident20 Ų2068.5 Ų68.514%0.13535%0.346CS..Hα-helixtrans-70.7-37.2175-74.80000111.3T11 I35 C36 K37 Y42 E43T11-C39 HydrophobicContact CG2-CB 4.22Å; I35-C39 HydrophobicContact CD1-CB 4Å; I35-C39 HydrophobicContact CG1-CB 3.64Å; C36-C39 PolarHBondContact O-N 3.29Å; K37-C39 PolarHBondContact O-N 3.33Å; C39-Y42 PolarHBondContact O-N 3.03Å; C39-E43 WeakPolarHBondContact O-CG 3.24Å; C39-E43 PolarHBondContact O-N 3.2Å
40L85.6Confident83.2Confident0 Ų067.6 Ų67.60%034%0.344CS..Hα-helixtrans-65.3-45.1176.4-170.869.2000112.4F25 A27 I35 C36 K37 Y42 E43 F44 Y58 V62 F63F25-L40 HydrophobicContact CE1-CD2 4.3Å; F25-L40 HydrophobicContact CZ-CD2 3.75Å; A27-L40 HydrophobicContact CB-CD1 3.95Å; A27-L40 HydrophobicContact CB-CD2 3.71Å; A27-L40 HydrophobicContact CB-CG 4.37Å; I35-L40 HydrophobicContact CG2-CD1 4.49Å; C36-L40 PolarHBondContact O-N 3.15Å; K37-L40 PolarHBondContact O-N 3.4Å; K37-L40 VanDerWaalsContact O-N 3.16Å; L40-Y42 PolarHBondContact O-N 3.08Å; L40-E43 PolarHBondContact O-N 2.98Å; L40-F44 HydrophobicContact CD1-CD1 4.36Å; L40-F44 HydrophobicContact CD1-CE1 3.92Å; L40-F44 HydrophobicContact CG-CD1 4.38Å; L40-F44 HydrophobicContact CG-CE1 4.1Å; L40-F44 WeakPolarHBondContact O-CD1 3.41Å; L40-F44 PolarHBondContact O-N 3.29Å; L40-Y58 HydrophobicContact CD1-CD1 3.68Å; L40-Y58 HydrophobicContact CD1-CD2 3.58Å; L40-Y58 HydrophobicContact CD1-CE1 3.63Å; L40-Y58 HydrophobicContact CD1-CE2 3.51Å; L40-Y58 HydrophobicContact CD1-CG 3.64Å; L40-V62 HydrophobicContact CD2-CB 4.26Å; L40-V62 HydrophobicContact CD2-CG1 3.56Å; L40-F63 HydrophobicContact CB-CZ 4.14Å; L40-F63 HydrophobicContact CD2-CE1 4.32Å; L40-F63 HydrophobicContact CD2-CE2 4.31Å; L40-F63 HydrophobicContact CD2-CZ 3.7Å; L40-F63 HydrophobicContact CG-CZ 3.82Å
41E84.8Confident83.2Confident79 Ų7960.7 Ų60.737%0.36931%0.312SS..Hα-helixtrans-58.6-37.3175.4-72.6-179.8-17000111.8K37 F44 K45 F63K37-E41 PolarHBondContact O-N 3.3Å; E41-F44 PolarHBondContact O-N 3.02Å; E41-K45 WeakPolarHBondContact O-CG 3.4Å; E41-K45 PolarHBondContact O-N 3.29Å; E41-F63 HydrophobicContact CB-CE1 4.35Å; E41-F63 HydrophobicContact CB-CZ 4.32Å; E41-F63 HydrophobicContact CG-CD1 3.81Å; E41-F63 HydrophobicContact CG-CE1 3.16Å; E41-F63 HydrophobicContact CG-CE2 4.43Å; E41-F63 HydrophobicContact CG-CZ 3.51Å
42Y81.9Confident82.9Confident77 Ų7761.8 Ų61.830%0.30232%0.316SS..Hα-helixtrans-67.8-44177.1-178.4-85.4000111.9A38 C39 L40 F44 K45 E46 R177A38-Y42 PolarHBondContact O-N 3.44Å; C39-Y42 PolarHBondContact O-N 3.03Å; L40-Y42 PolarHBondContact O-N 3.08Å; Y42-F44 VanDerWaalsContact C-N 3.26Å; Y42-F44 PolarHBondContact O-N 2.69Å; Y42-K45 PolarHBondContact O-N 3.49Å; Y42-E46 HydrophobicContact CD1-CG 4.21Å; Y42-E46 HydrophobicContact CE1-CG 3.44Å; Y42-E46 VanDerWaalsContact CE1-CG 3.44Å; Y42-E46 HydrophobicContact CE2-CG 4.42Å; Y42-E46 VanDerWaalsContact CZ-OE1 3.29Å; Y42-E46 PolarHBondContact O-N 3.24Å; Y42-E46 VanDerWaalsContact O-N 3.09Å; Y42-E46 PolarHBondContact OH-OE1 2.74Å; Y42-R177 PolarHBondContact OH-NH1 3.42Å; Y42-R177 PolarHBondContact OH-NH2 3.21Å
43E81.2Confident82.7Confident14 Ų1464 Ų647%0.06531%0.313CS..Hα-helixtrans-59-39.4174.3-68.4-63.2139.300111.4I35 C39 L40 E46 G47 R48I35-E43 HydrophobicContact CD1-CG 4.41Å; C39-E43 WeakPolarHBondContact O-CG 3.24Å; C39-E43 PolarHBondContact O-N 3.2Å; L40-E43 PolarHBondContact O-N 2.98Å; E43-E46 PolarHBondContact O-N 3Å; E43-G47 PolarHBondContact O-N 3.24Å; E43-R48 CarbonylContact C-O 3.57Å; E43-R48 HydrophobicContact CB-CB 4.45Å; E43-R48 PolarHBondContact O-N 3.14Å; E43-R48 WeakPolarHBondContact OE2-CD 3.29Å
44F82.5Confident82.6Confident39 Ų3963.7 Ų63.717%0.17131%0.313CS..Hα-helixtrans-64.9-40.2176.1-84.336.2000112.1L40 E41 Y42 E46 G47 R49 Y58 F63L40-F44 HydrophobicContact CD1-CD1 4.36Å; L40-F44 HydrophobicContact CD1-CE1 3.92Å; L40-F44 HydrophobicContact CG-CD1 4.38Å; L40-F44 HydrophobicContact CG-CE1 4.1Å; L40-F44 WeakPolarHBondContact O-CD1 3.41Å; L40-F44 PolarHBondContact O-N 3.29Å; E41-F44 PolarHBondContact O-N 3.02Å; Y42-F44 VanDerWaalsContact C-N 3.26Å; Y42-F44 PolarHBondContact O-N 2.69Å; F44-E46 VanDerWaalsContact C-N 3.28Å; F44-E46 PolarHBondContact O-N 3.41Å; F44-G47 PolarHBondContact O-N 3.24Å; F44-G47 VanDerWaalsContact O-N 3.1Å; F44-R49 HydrophobicContact CD1-CG 4.48Å; F44-Y58 AromaticContact CE1-CD2 3.68Å; F44-Y58 HydrophobicContact CE1-CD2 3.68Å; F44-Y58 AromaticContact CE1-CG 3.99Å; F44-Y58 HydrophobicContact CE1-CG 3.99Å; F44-Y58 HydrophobicContact CZ-CG 4.49Å; F44-F63 AromaticContact CD2-CE2 3.73Å; F44-F63 HydrophobicContact CD2-CE2 3.73Å; F44-F63 HydrophobicContact CE2-CD2 4.41Å; F44-F63 AromaticContact CE2-CE2 3.71Å; F44-F63 HydrophobicContact CE2-CE2 3.71Å; F44-F63 HydrophobicContact CG-CE2 4.34Å; F44-F63 HydrophobicContact CZ-CE2 4.28Å
45K81.8Confident82.4Confident173 Ų17363.3 Ų63.375%0.75232%0.315SS*.Hα-helixtrans-64.5-30.1175.1-76.9177.3-178173.20113.1E41 Y42 G47E41-K45 WeakPolarHBondContact O-CG 3.4Å; E41-K45 PolarHBondContact O-N 3.29Å; Y42-K45 PolarHBondContact O-N 3.49Å; K45-G47 VanDerWaalsContact C-N 3.26Å; K45-G47 PolarHBondContact O-N 3.17Å
46E78.7Confident82.1Confident102 Ų10266.4 Ų66.448%0.47733%0.332SS..THydrogen-bonded Turntrans-85.16174.8-67.7-72.9158.500113.3Y42 E43 F44 R48Y42-E46 HydrophobicContact CD1-CG 4.21Å; Y42-E46 HydrophobicContact CE1-CG 3.44Å; Y42-E46 VanDerWaalsContact CE1-CG 3.44Å; Y42-E46 HydrophobicContact CE2-CG 4.42Å; Y42-E46 VanDerWaalsContact CZ-OE1 3.29Å; Y42-E46 PolarHBondContact O-N 3.24Å; Y42-E46 VanDerWaalsContact O-N 3.09Å; Y42-E46 PolarHBondContact OH-OE1 2.74Å; E43-E46 PolarHBondContact O-N 3Å; F44-E46 VanDerWaalsContact C-N 3.28Å; F44-E46 PolarHBondContact O-N 3.41Å; E46-R48 VanDerWaalsContact C-N 3.32Å; E46-R48 PolarHBondContact O-N 3.23Å
47G79.7Confident81.8Confident60 Ų6070.4 Ų70.462%0.61936%0.358SS*.THydrogen-bonded Turntrans77.211.3179.200000114.8E43 F44 K45 R49E43-G47 PolarHBondContact O-N 3.24Å; F44-G47 PolarHBondContact O-N 3.24Å; F44-G47 VanDerWaalsContact O-N 3.1Å; K45-G47 VanDerWaalsContact C-N 3.26Å; K45-G47 PolarHBondContact O-N 3.17Å; G47-R49 PolarHBondContact O-N 3.03Å
48R76.3Confident81.5Confident139 Ų13966.3 Ų66.353%0.52534%0.34SS..  trans-97.488.7179.9-59.9-173.6-156.1-1694.2110.4E43 E46E43-R48 CarbonylContact C-O 3.57Å; E43-R48 HydrophobicContact CB-CB 4.45Å; E43-R48 PolarHBondContact O-N 3.14Å; E43-R48 WeakPolarHBondContact OE2-CD 3.29Å; E46-R48 VanDerWaalsContact C-N 3.32Å; E46-R48 PolarHBondContact O-N 3.23Å
49R84.5Confident81Confident132 Ų13266.5 Ų66.550%0.49833%0.331SS..  trans-90.813179.4-63-169.3-178.1-170.81.2114.4F44 G47 P57 Y58 E60F44-R49 HydrophobicContact CD1-CG 4.48Å; G47-R49 PolarHBondContact O-N 3.03Å; R49-P57 CarbonylContact O-C 3.45Å; R49-P57 VanDerWaalsContact O-CA 3.25Å; R49-P57 WeakPolarHBondContact O-CA 3.32Å; R49-Y58 PolarHBondContact O-N 3.44Å; R49-E60 IonicContact CZ-OE1 3.84Å; R49-E60 IonicContact NH1-OE1 2.69Å; R49-E60 PolarHBondContact NH1-OE1 3.41Å
50I84.8Confident80Confident98 Ų9871.4 Ų71.450%0.50335%0.352SS..BIsolated β-bridgetrans-111.9145-179.554.8167.6000112.1L52 G55 N56 Y58I50-L52 PolarHBondContact O-N 3.48Å; I50-G55 WeakPolarHBondContact CB-O 3.45Å; I50-G55 WeakPolarHBondContact CG2-O 3.42Å; I50-N56 CarbonylContact C-O 3.59Å; I50-Y58 VanDerWaalsContact C-CE2 3.43Å; I50-Y58 WeakPolarHBondContact O-CE2 3.48Å
51C82.6Confident79Confident4 Ų476.7 Ų76.73%0.02738%0.38CS..  trans-58.5126.6179.6-179.40000111.4C28 R53 C54 G55 N56 Y58C28-C51 HydrophobicContact CB-CB 4.02Å; C28-C51 VanDerWaalsContact CB-SG 3.53Å; C51-R53 PolarHBondContact O-N 2.81Å; C51-C54 VanDerWaalsContact CB-SG 3.58Å; C51-C54 VanDerWaalsContact SG-SG 3.66Å; C51-G55 WeakPolarHBondContact O-CA 3.29Å; C51-G55 PolarHBondContact O-N 3.38Å; C51-N56 VanDerWaalsContact CB-O 3.22Å; C51-N56 WeakPolarHBondContact CB-O 3.3Å; C51-N56 PolarHBondContact N-O 3.04Å; C51-Y58 VanDerWaalsContact CA-CZ 3.45Å; C51-Y58 HydrophobicContact CB-CD1 4.48Å; C51-Y58 HydrophobicContact CB-CE1 4.06Å
52L78Confident78Confident54 Ų5473.5 Ų73.528%0.28337%0.366SS..THydrogen-bonded Turntrans-62.4-15.4-178.3-66.5173.2000113.9F33 I35 I50 Y58F33-L52 HydrophobicContact CD1-CB 4.31Å; F33-L52 HydrophobicContact CE1-CB 3.76Å; F33-L52 HydrophobicContact CE1-CD1 4.02Å; F33-L52 HydrophobicContact CE1-CG 4.44Å; F33-L52 HydrophobicContact CZ-CB 4.1Å; I35-L52 HydrophobicContact CD1-CD1 4Å; I50-L52 PolarHBondContact O-N 3.48Å; L52-Y58 PolarHBondContact N-OH 3.33Å
53R78.6Confident77.2Confident123 Ų12372.2 Ų72.246%0.46436%0.362SS..THydrogen-bonded Turntrans-106.7-51.5179.2-174.8177-175.3-162.66.8113.6F33 C51F33-R53 HydrophobicContact CB-CB 4.21Å; F33-R53 HydrophobicContact CD2-CB 3.49Å; F33-R53 VanDerWaalsContact CD2-CB 3.49Å; F33-R53 HydrophobicContact CD2-CG 4.2Å; F33-R53 HydrophobicContact CE2-CB 3.96Å; F33-R53 HydrophobicContact CG-CB 3.93Å; C51-R53 PolarHBondContact O-N 2.81Å
54C81.8Confident75.8Confident16 Ų1677.4 Ų77.411%0.10839%0.39CS..THydrogen-bonded Turntrans-102.4-7.2-174.172.20000114.5C28 C31 C51 N56C28-C54 PolarHBondContact SG-SG 3.16Å; C31-C54 HydrophobicContact CB-CB 3.98Å; C51-C54 VanDerWaalsContact CB-SG 3.58Å; C51-C54 VanDerWaalsContact SG-SG 3.66Å; C54-N56 PolarHBondContact O-N 3.46Å
55G78.8Confident73.8Confident26 Ų2680.1 Ų80.127%0.26841%0.407SS..  trans74.9-7.3179.700000115.4I50 C51I50-G55 WeakPolarHBondContact CB-O 3.45Å; I50-G55 WeakPolarHBondContact CG2-O 3.42Å; C51-G55 WeakPolarHBondContact O-CA 3.29Å; C51-G55 PolarHBondContact O-N 3.38Å
56N81.4Confident71.4Confident65 Ų6577.8 Ų77.835%0.34841%0.407SS..PPolyproline II helixtrans-69.2143.4175.2-70.7-27.6000111.3E30 I50 C51 C54 Y58E30-N56 HydrophobicContact CG-CB 4.49Å; E30-N56 WeakPolarHBondContact CG-ND2 3.36Å; I50-N56 CarbonylContact C-O 3.59Å; C51-N56 VanDerWaalsContact CB-O 3.22Å; C51-N56 WeakPolarHBondContact CB-O 3.3Å; C51-N56 PolarHBondContact N-O 3.04Å; C54-N56 PolarHBondContact O-N 3.46Å; N56-Y58 PolarHBondContact O-N 3.15Å
57P81.1Confident69Low97 Ų9781.5 Ų81.563%0.6342%0.424SS*.BIsolated β-bridgetrans-55.8137.817621.8-30.6000111.2R49R49-P57 CarbonylContact O-C 3.45Å; R49-P57 VanDerWaalsContact O-CA 3.25Å; R49-P57 WeakPolarHBondContact O-CA 3.32Å
58Y80.6Confident66.7Low6 Ų685.5 Ų85.52%0.02444%0.437CS..PPolyproline II helixtrans-66.6142.9168.3-68.2-66.7000108.9A27 C28 L40 F44 R49 I50 C51 L52 N56 E60A27-Y58 HydrophobicContact CB-CD1 3.87Å; A27-Y58 HydrophobicContact CB-CE1 3.73Å; A27-Y58 WeakPolarHBondContact O-CD1 3.08Å; C28-Y58 HydrophobicContact CB-CD1 4.22Å; C28-Y58 HydrophobicContact CB-CE1 4.12Å; L40-Y58 HydrophobicContact CD1-CD1 3.68Å; L40-Y58 HydrophobicContact CD1-CD2 3.58Å; L40-Y58 HydrophobicContact CD1-CE1 3.63Å; L40-Y58 HydrophobicContact CD1-CE2 3.51Å; L40-Y58 HydrophobicContact CD1-CG 3.64Å; F44-Y58 AromaticContact CE1-CD2 3.68Å; F44-Y58 HydrophobicContact CE1-CD2 3.68Å; F44-Y58 AromaticContact CE1-CG 3.99Å; F44-Y58 HydrophobicContact CE1-CG 3.99Å; F44-Y58 HydrophobicContact CZ-CG 4.49Å; R49-Y58 PolarHBondContact O-N 3.44Å; I50-Y58 VanDerWaalsContact C-CE2 3.43Å; I50-Y58 WeakPolarHBondContact O-CE2 3.48Å; C51-Y58 VanDerWaalsContact CA-CZ 3.45Å; C51-Y58 HydrophobicContact CB-CD1 4.48Å; C51-Y58 HydrophobicContact CB-CE1 4.06Å; L52-Y58 PolarHBondContact N-OH 3.33Å; N56-Y58 PolarHBondContact O-N 3.15Å; Y58-E60 PolarHBondContact O-N 2.86Å
59D71.5Confident64.3Low72 Ų7288.5 Ų88.539%0.38545%0.454SS..PPolyproline II helixtrans-63.8130.9177.2-174.1-8.9000109.4N61 V62D59-N61 PolarHBondContact O-N 3.01Å; D59-N61 PolarHBondContact OD1-N 3.37Å; D59-V62 HydrophobicContact CB-CG2 3.75Å; D59-V62 WeakPolarHBondContact O-CG2 3.5Å; D59-V62 PolarHBondContact O-N 3.44Å
60E64.8Low61.8Low124 Ų12488.7 Ų88.758%0.57947%0.47SS*.THydrogen-bonded Turntrans-70.5-19.7-174.8-65.5-162.4149.800112R49 Y58 V62R49-E60 IonicContact CZ-OE1 3.84Å; R49-E60 IonicContact NH1-OE1 2.69Å; R49-E60 PolarHBondContact NH1-OE1 3.41Å; Y58-E60 PolarHBondContact O-N 2.86Å; E60-V62 VanDerWaalsContact C-N 3.33Å; E60-V62 PolarHBondContact O-N 3.1Å
61N62.9Low59Low110 Ų11088.5 Ų88.559%0.58848%0.477SS*.THydrogen-bonded Turntrans-877.1-179.3-59.7-43.4000114D59 F63 D64D59-N61 PolarHBondContact O-N 3.01Å; D59-N61 PolarHBondContact OD1-N 3.37Å; N61-F63 PolarHBondContact O-N 2.92Å; N61-D64 PolarHBondContact O-N 3.36Å
62V64.6Low56.4Low13 Ų1397.6 Ų97.68%0.07952%0.516CS..THydrogen-bonded Turntrans-66.2-12.6-173.1174.90000113.5F25 L40 D59 E60F25-V62 HydrophobicContact CE2-CG1 3.45Å; F25-V62 VanDerWaalsContact CE2-CG1 3.45Å; F25-V62 HydrophobicContact CZ-CG1 3.47Å; F25-V62 VanDerWaalsContact CZ-CG1 3.47Å; L40-V62 HydrophobicContact CD2-CB 4.26Å; L40-V62 HydrophobicContact CD2-CG1 3.56Å; D59-V62 HydrophobicContact CB-CG2 3.75Å; D59-V62 WeakPolarHBondContact O-CG2 3.5Å; D59-V62 PolarHBondContact O-N 3.44Å; E60-V62 VanDerWaalsContact C-N 3.33Å; E60-V62 PolarHBondContact O-N 3.1Å
63F64.5Low54.1Low50 Ų50101 Ų10122%0.21954%0.54CS..THydrogen-bonded Turntrans-100-12.3178.8-60.5-68.6000114.6K37 L40 E41 F44 N61 D65K37-F63 HydrophobicContact CD-CD1 4.46Å; K37-F63 VanDerWaalsContact CE-CD1 3.49Å; K37-F63 HydrophobicContact CG-CD1 4.09Å; K37-F63 HydrophobicContact CG-CE1 3.79Å; L40-F63 HydrophobicContact CB-CZ 4.14Å; L40-F63 HydrophobicContact CD2-CE1 4.32Å; L40-F63 HydrophobicContact CD2-CE2 4.31Å; L40-F63 HydrophobicContact CD2-CZ 3.7Å; L40-F63 HydrophobicContact CG-CZ 3.82Å; E41-F63 HydrophobicContact CB-CE1 4.35Å; E41-F63 HydrophobicContact CB-CZ 4.32Å; E41-F63 HydrophobicContact CG-CD1 3.81Å; E41-F63 HydrophobicContact CG-CE1 3.16Å; E41-F63 HydrophobicContact CG-CE2 4.43Å; E41-F63 HydrophobicContact CG-CZ 3.51Å; F44-F63 AromaticContact CD2-CE2 3.73Å; F44-F63 HydrophobicContact CD2-CE2 3.73Å; F44-F63 HydrophobicContact CE2-CD2 4.41Å; F44-F63 AromaticContact CE2-CE2 3.71Å; F44-F63 HydrophobicContact CE2-CE2 3.71Å; F44-F63 HydrophobicContact CG-CE2 4.34Å; F44-F63 HydrophobicContact CZ-CE2 4.28Å; N61-F63 PolarHBondContact O-N 2.92Å; F63-D65 PolarHBondContact O-N 2.85Å
64D52.7Low51.5Low122 Ų122103.5 Ų103.565%0.65256%0.556SS**  trans-9464.2-170.8-70.9-18.5000112.3N61N61-D64 PolarHBondContact O-N 3.36Å
65D40.4Very low49Very low96 Ų96108.4 Ų108.451%0.51359%0.591SS.*  trans-112.355.2165-82.1-35.5000110.1F63F63-D65 PolarHBondContact O-N 2.85Å
66V31Very low46.5Very low125 Ų125113.6 Ų113.676%0.75861%0.611SS**SBendtrans-144.8106.8159.5-174.90000109.1
67E27.7Very low44Very low179 Ų179116.7 Ų116.784%0.83663%0.632SS**  trans46104.6160.2-65.5-176.1144.900119.5
68T31.7Very low41.5Very low145 Ų145116.9 Ų116.989%0.8963%0.633SS**  -168.9131.2112.54.80000113.4
69K26.2Very low39.1Very low201 Ų201123.2 Ų123.287%0.87467%0.673SS**  trans-74.2123.6164.1-73.9170.4172.4171.70109.5
70T31.2Very low36.9Very low136 Ų136127.8 Ų127.883%0.83469%0.692SS**  trans-164.4117.213911.50000113.7
71S26.6Very low35Very low95 Ų95127.4 Ų127.466%0.66470%0.698SS**  trans-15.9155.3157.764.10000123
72K28.2Very low33.3Very low194 Ų194128.2 Ų128.284%0.84370%0.702SS**  trans94.1130.5150.4-75.7-179.6-171.4-178.10116.1
73T29.1Very low31.4Very low127 Ų127133.9 Ų133.978%0.77973%0.732SS**  cis-158.214113.9-680000109.6
74Q25.8Very low29.7Very low174 Ų174138.4 Ų138.481%0.81377%0.765SS**  trans-68.9135.6167.4-71.5165.3-36.700111.1
75S29Very low28.4Very low119 Ų119137.8 Ų137.883%0.83277%0.769SS**  trans-127.4115.7153.673.70000109.8
76I25.3Very low27.8Very low135 Ų135141.8 Ų141.869%0.69279%0.785SS**  trans-92.2133.4172.8-73.8162.7000106.5P78I76-P78 HydrophobicContact CG2-CG 4.21Å
77V29.3Very low27.5Very low130 Ų130142.5 Ų142.579%0.78879%0.785SS**  trans-134.6114.3155.4-179.40000108.3
78P28.7Very low27.6Very low101 Ų101140.1 Ų140.166%0.65679%0.788SS**  trans-107139159.934.1-20.5000108.8I76I76-P78 HydrophobicContact CG2-CG 4.21Å
79T30.3Very low27.4Very low139 Ų139136.5 Ų136.585%0.85378%0.779SS**  trans-150124.1152.61.10000111.3
80Q25.2Very low27.3Very low169 Ų169134.1 Ų134.179%0.7978%0.775SS**  trans-88.4154.7175.9-89.8177-26.800111.3
81T24.7Very low27.2Very low115 Ų115136.8 Ų136.871%0.70678%0.777SS**  trans69.1142.8141.953.90000118
82N26.2Very low27.1Very low127 Ų127136 Ų13668%0.67978%0.777SS**  cis-162.4155.922.8-113.2-13000111.4
83N25.4Very low27Very low132 Ų132137.3 Ų137.371%0.70678%0.776SS**  trans49.5121.3144.1-62.6-14.1000121.5
84T29.6Very low26.9Very low146 Ų146140.3 Ų140.390%0.89678%0.781SS**  -166.6127.3103.423.90000111.5
85S24.3Very low26.8Very low108 Ų108138.5 Ų138.576%0.75578%0.775SS**  trans-74.6132162.947.40000111.3
86Q27.8Very low26.7Very low180 Ų180138.1 Ų138.184%0.84177%0.773SS**  trans177.8144.3133-103.9171.8-19.400112.6
87D25.5Very low26.5Very low140 Ų140137.4 Ų137.475%0.74978%0.775SS**  trans63.1103.3156.5-65.8-8.3000121
88S29.5Very low26.4Very low129 Ų129137.7 Ų137.790%0.90278%0.777SS**  trans-144.7114.9136.5-65.80000109
89G27.4Very low26.1Very low69 Ų69137.8 Ų137.871%0.71178%0.78SS**  trans-76.4156.4-173.400000114.8
90I24Very low26.1Very low152 Ų152137.1 Ų137.178%0.77978%0.775SS**  29.8106.4127.9-49171.2000114.8
91H29.1Very low26.2Very low191 Ų191136.2 Ų136.288%0.88478%0.775SS**  -162.4127.3116.3-97.2-63.9000111.1
92A25Very low26.2Very low79 Ų79138 Ų13865%0.65378%0.78SS**  trans-91.7157.8-179.100000111.4
93R25.1Very low26.4Very low221 Ų221137.3 Ų137.383%0.83479%0.785SS**  trans60.6122.6150-67.4173.2-177.9172.40.8118
94H28.4Very low26.5Very low190 Ų190140 Ų14088%0.8879%0.793SS**  -141.4102.9125.7-105.5-75.9000110.6
95I22.9Very low26.5Very low136 Ų136140.5 Ų140.570%0.69779%0.79SS**  trans-82.1134152.7-71.1164.7000105.2
96S26.7Very low26.6Very low111 Ų111142.1 Ų142.178%0.77679%0.79SS**  trans-131.495.1165.6560000109.5
97T21.5Very low26.8Very low120 Ų120141.6 Ų141.674%0.73679%0.793SS**  trans-85.2127.6158.4-35.80000107.2
98V26.6Very low26.9Very low137 Ų137143.6 Ų143.683%0.8380%0.798SS**  trans-139.2124.5160.4175.60000108.9
99S23.2Very low27.2Very low102 Ų102148.1 Ų148.171%0.71380%0.796SS**  trans-122132.3170.855.40000108.5
100T29.3Very low27.4Very low125 Ų125148.7 Ų148.777%0.76780%0.802SS**  trans-177.7107.2154.540.60000106.1
101I27.2Very low28Very low151 Ų151148.3 Ų148.377%0.77480%0.802SS**  57.6109.285.9-60.8179.3000114.2
102D25.8Very low28.6Very low153 Ų153142.7 Ų142.782%0.81878%0.783SS**  trans50.4120.5147.1-53.5-16.3000122.4
103S30.9Very low29.6Very low112 Ų112144.4 Ų144.478%0.78378%0.78SS**  -163.7133.2101.898.90000111.5
104E25.6Very low30.8Very low187 Ų187138 Ų13887%0.87476%0.756SS**  trans-63.1145162.1-65.9174.3147.300110
105L30.6Very low31.4Very low158 Ų158134.5 Ų134.583%0.82774%0.738SS**  trans-165.1128.7143.2-98.6168.1000109.2
106N25.9Very low32.7Very low141 Ų141133.6 Ų133.675%0.75473%0.734SS**  trans-20138.3171.1-63.1-28.2000117.7
107D32.9Very low33.8Very low170 Ų170132.8 Ų132.891%0.90971%0.714SS**  trans-143.4104.6141.2-93.4-29.4000110.6Y109D107-Y109 PolarHBondContact O-N 3.41Å
108E27.7Very low35.1Very low181 Ų181129.2 Ų129.285%0.84669%0.692SS**  trans-63.8111.1151.9-74.3177.713400108.2
109Y35.5Very low36.3Very low224 Ų224127.2 Ų127.288%0.87867%0.674SS**  trans171.1114.7131.3-111.2-96.7000108.1D107 N111D107-Y109 PolarHBondContact O-N 3.41Å; Y109-N111 PolarHBondContact O-N 3.28Å
110G32.3Very low37.6Very low81 Ų81125.1 Ų125.184%0.83566%0.659SS**  trans-64.9114.8-178.400000112.3
111N35.5Very low38.3Very low145 Ų145128.5 Ų128.578%0.77566%0.658SS**  trans-119.5132.1154.8-115.9-20.1000107.5Y109 I113Y109-N111 PolarHBondContact O-N 3.28Å; N111-I113 PolarHBondContact O-N 2.96Å
112P42.1Very low39.2Very low73 Ų73125.1 Ų125.147%0.47464%0.638SS.*  trans-76.8116.7-167.632.3-35.7000110.7W114 K115P112-W114 PolarHBondContact O-N 3.4Å; P112-K115 PolarHBondContact O-N 2.93Å; P112-K115 VanDerWaalsContact O-N 3.11Å
113I46.8Very low40.6Very low115 Ų115121.8 Ų121.859%0.5962%0.62SS**THydrogen-bonded Turntrans-49.8-21.9-173.5-68.8165.2000114.3N111 R117N111-I113 PolarHBondContact O-N 2.96Å; I113-R117 PolarHBondContact O-N 3.48Å
114W49.4Very low41.7Very low87 Ų87123.2 Ų123.233%0.3361%0.612SS.*Hα-helixtrans-67.9-32179.372.3-96.8000113.5P112 N116 R117 V118P112-W114 PolarHBondContact O-N 3.4Å; W114-N116 VanDerWaalsContact C-N 3.31Å; W114-N116 PolarHBondContact O-N 3.3Å; W114-R117 PolarHBondContact O-N 3.17Å; W114-R117 VanDerWaalsContact O-N 3.09Å; W114-V118 HydrophobicContact CE3-CG2 4.09Å; W114-V118 WeakPolarHBondContact O-CG2 3.35Å; W114-V118 PolarHBondContact O-N 3.18Å
115K41.2Very low42.7Very low116 Ų116121.6 Ų121.650%0.50460%0.602SS.*Hα-helixtrans-62.7-41.6-179.4-162.8176.4-177.6-179.10110.9P112 R117 E119P112-K115 PolarHBondContact O-N 2.93Å; P112-K115 VanDerWaalsContact O-N 3.11Å; K115-R117 VanDerWaalsContact C-N 3.34Å; K115-R117 PolarHBondContact O-N 3.01Å; K115-E119 VanDerWaalsContact CE-OE1 3.25Å; K115-E119 WeakPolarHBondContact CE-OE1 3.42Å; K115-E119 WeakPolarHBondContact O-CB 3.42Å; K115-E119 VanDerWaalsContact O-CG 3.25Å; K115-E119 WeakPolarHBondContact O-CG 3.23Å; K115-E119 PolarHBondContact O-N 3.03Å
116N50Low43.5Very low117 Ų117117.5 Ų117.563%0.62658%0.581SS**Hα-helixtrans-67.2-31.2175.2-69.2-18.6000112.9W114 S120W114-N116 VanDerWaalsContact C-N 3.31Å; W114-N116 PolarHBondContact O-N 3.3Å; N116-S120 WeakPolarHBondContact O-CB 3.48Å; N116-S120 PolarHBondContact O-N 3.03Å
117R49.1Very low44.6Very low93 Ų93117.5 Ų117.535%0.35157%0.574SS.*Hα-helixtrans-76.2-44178.2-72.1-176.5-172.4167.93112.3I113 W114 K115 S120 W121I113-R117 PolarHBondContact O-N 3.48Å; W114-R117 PolarHBondContact O-N 3.17Å; W114-R117 VanDerWaalsContact O-N 3.09Å; K115-R117 VanDerWaalsContact C-N 3.34Å; K115-R117 PolarHBondContact O-N 3.01Å; R117-S120 PolarHBondContact O-N 3.37Å; R117-W121 WeakPolarHBondContact O-CB 3.3Å; R117-W121 PolarHBondContact O-N 3Å
118V49.1Very low45.1Very low46 Ų46118 Ų11828%0.27957%0.569SS.*Hα-helixtrans-69.4-38.8176.8175.90000110.9W114 W121 K122W114-V118 HydrophobicContact CE3-CG2 4.09Å; W114-V118 WeakPolarHBondContact O-CG2 3.35Å; W114-V118 PolarHBondContact O-N 3.18Å; V118-W121 PolarHBondContact O-N 3.5Å; V118-K122 HydrophobicContact CG1-CD 4.48Å; V118-K122 WeakPolarHBondContact O-CB 3.46Å; V118-K122 WeakPolarHBondContact O-CG 3.4Å; V118-K122 PolarHBondContact O-N 3.28Å
119E51.4Low45.7Very low94 Ų94112.6 Ų112.644%0.43955%0.55SS.*Hα-helixtrans-66.6-40.5172.1-73.8176.1-17700111.5K115 W121 K122 D123K115-E119 VanDerWaalsContact CE-OE1 3.25Å; K115-E119 WeakPolarHBondContact CE-OE1 3.42Å; K115-E119 WeakPolarHBondContact O-CB 3.42Å; K115-E119 VanDerWaalsContact O-CG 3.25Å; K115-E119 WeakPolarHBondContact O-CG 3.23Å; K115-E119 PolarHBondContact O-N 3.03Å; E119-W121 VanDerWaalsContact C-N 3.3Å; E119-W121 PolarHBondContact O-N 3.34Å; E119-K122 PolarHBondContact O-N 3.5Å; E119-D123 VanDerWaalsContact O-CB 3.25Å; E119-D123 WeakPolarHBondContact O-CB 3.48Å; E119-D123 PolarHBondContact O-N 2.84Å
120S52.1Low45.8Very low58 Ų58108.7 Ų108.741%0.40654%0.538SS..Hα-helixtrans-61.6-36.2173.1-175.60000112.8N116 R117 K124N116-S120 WeakPolarHBondContact O-CB 3.48Å; N116-S120 PolarHBondContact O-N 3.03Å; R117-S120 PolarHBondContact O-N 3.37Å; S120-K124 WeakPolarHBondContact O-CB 3.27Å; S120-K124 WeakPolarHBondContact O-CG 3.43Å; S120-K124 PolarHBondContact O-N 2.84Å
121W42.3Very low46.2Very low196 Ų196114.2 Ų114.274%0.74254%0.539SS*.Hα-helixtrans-74.3-41.5177.4-149.173.3000112.1R117 V118 E119 K124 K125R117-W121 WeakPolarHBondContact O-CB 3.3Å; R117-W121 PolarHBondContact O-N 3Å; V118-W121 PolarHBondContact O-N 3.5Å; E119-W121 VanDerWaalsContact C-N 3.3Å; E119-W121 PolarHBondContact O-N 3.34Å; W121-K124 PolarHBondContact O-N 3.42Å; W121-K125 PolarHBondContact O-N 3.43Å; W121-K125 VanDerWaalsContact O-N 3.08Å
122K47Very low46.4Very low80 Ų80116.4 Ų116.435%0.34854%0.541SS..Hα-helixtrans-61.7-42.5170.1-79.8179.7176.5174.50111.2V118 E119 K124 K125 D126 M614V118-K122 HydrophobicContact CG1-CD 4.48Å; V118-K122 WeakPolarHBondContact O-CB 3.46Å; V118-K122 WeakPolarHBondContact O-CG 3.4Å; V118-K122 PolarHBondContact O-N 3.28Å; E119-K122 PolarHBondContact O-N 3.5Å; K122-K124 PolarHBondContact O-N 3.3Å; K122-K125 PolarHBondContact O-N 3.46Å; K122-K125 VanDerWaalsContact O-N 3.16Å; K122-D126 WeakPolarHBondContact O-CB 3.4Å; K122-D126 PolarHBondContact O-N 2.95Å; K122-M614 PolarHBondContact NZ-SD 2.92Å
123D56Low45.8Very low83 Ų83121.7 Ų121.744%0.44456%0.557SS.*Hα-helixtrans-65.1-35175.8-101.46.2000112.7E119 K127E119-D123 VanDerWaalsContact O-CB 3.25Å; E119-D123 WeakPolarHBondContact O-CB 3.48Å; E119-D123 PolarHBondContact O-N 2.84Å; D123-K127 WeakPolarHBondContact O-CB 3.18Å; D123-K127 WeakPolarHBondContact O-CG 3.49Å; D123-K127 PolarHBondContact O-N 3.02Å
124K54.3Low45.1Very low143 Ų143125.7 Ų125.762%0.62257%0.57SS**Hα-helixtrans-68.9-33.8173.3-82.6177.5179176.30112S120 W121 K122 K128S120-K124 WeakPolarHBondContact O-CB 3.27Å; S120-K124 WeakPolarHBondContact O-CG 3.43Å; S120-K124 PolarHBondContact O-N 2.84Å; W121-K124 PolarHBondContact O-N 3.42Å; K122-K124 PolarHBondContact O-N 3.3Å; K124-K128 PolarHBondContact O-N 3.3Å
125K46.2Very low44.4Very low152 Ų152129.4 Ų129.466%0.66160%0.596SS**Hα-helixtrans-74.1-39.9174.5-156178-179.2177.80111.5W121 K122 K128 S129W121-K125 PolarHBondContact O-N 3.43Å; W121-K125 VanDerWaalsContact O-N 3.08Å; K122-K125 PolarHBondContact O-N 3.46Å; K122-K125 VanDerWaalsContact O-N 3.16Å; K125-K128 WeakPolarHBondContact O-CB 3.46Å; K125-K128 PolarHBondContact O-N 3.24Å; K125-S129 PolarHBondContact O-N 3.12Å; K125-S129 VanDerWaalsContact O-N 3.11Å
126D46.7Very low44.3Very low72 Ų72129.2 Ų129.239%0.38561%0.607SS.*Hα-helixtrans-74.8-29.8177.1-87.62.4000113.5K122 K128 S129 K130K122-D126 WeakPolarHBondContact O-CB 3.4Å; K122-D126 PolarHBondContact O-N 2.95Å; D126-K128 VanDerWaalsContact C-N 3.31Å; D126-S129 WeakPolarHBondContact CA-OG 3.36Å; D126-S129 PolarHBondContact O-N 3.46Å; D126-S129 PolarHBondContact O-OG 2.95Å; D126-S129 VanDerWaalsContact O-OG 3.06Å; D126-K130 VanDerWaalsContact O-CB 3.22Å; D126-K130 WeakPolarHBondContact O-CB 3.25Å; D126-K130 WeakPolarHBondContact O-CG 3.27Å; D126-K130 PolarHBondContact O-N 2.99Å; D126-K130 IonicContact OD2-NZ 3.65Å
127K48.5Very low43.6Very low141 Ų141133.5 Ų133.561%0.61362%0.62SS**Hα-helixtrans-70.6-27.3169.8-77.5171.1-178.4168.60112.1D123 K131D123-K127 WeakPolarHBondContact O-CB 3.18Å; D123-K127 WeakPolarHBondContact O-CG 3.49Å; D123-K127 PolarHBondContact O-N 3.02Å; K127-K131 PolarHBondContact O-N 2.89Å
128K43.2Very low42.8Very low182 Ų182133.1 Ų133.179%0.79164%0.637SS**Hα-helixtrans-74-30.7168.9-98-176175-179.60112.7K124 K125 D126K124-K128 PolarHBondContact O-N 3.3Å; K125-K128 WeakPolarHBondContact O-CB 3.46Å; K125-K128 PolarHBondContact O-N 3.24Å; D126-K128 VanDerWaalsContact C-N 3.31Å
129S40.9Very low42.1Very low66 Ų66137.5 Ų137.546%0.46266%0.664SS.*Hα-helixtrans-85.8-32177.4730000113.6K125 D126 K132K125-S129 PolarHBondContact O-N 3.12Å; K125-S129 VanDerWaalsContact O-N 3.11Å; D126-S129 WeakPolarHBondContact CA-OG 3.36Å; D126-S129 PolarHBondContact O-N 3.46Å; D126-S129 PolarHBondContact O-OG 2.95Å; D126-S129 VanDerWaalsContact O-OG 3.06Å; S129-K132 PolarHBondContact O-N 3.1Å
130K38.2Very low40.9Very low142 Ų142142.7 Ų142.762%0.61769%0.685SS**Hα-helixtrans-82.9-14.9178.6-72.2172.4179.61620114.4D126 K132 K133D126-K130 VanDerWaalsContact O-CB 3.22Å; D126-K130 WeakPolarHBondContact O-CB 3.25Å; D126-K130 WeakPolarHBondContact O-CG 3.27Å; D126-K130 PolarHBondContact O-N 2.99Å; D126-K130 IonicContact OD2-NZ 3.65Å; K130-K132 PolarHBondContact O-N 3.31Å; K130-K133 PolarHBondContact O-N 3.42Å
131K39.6Very low39.9Very low197 Ų197144.3 Ų144.386%0.85770%0.702SS**THydrogen-bonded Turntrans-69.4-2.4166.3-103.2-177.1175.8-176.70114K127K127-K131 PolarHBondContact O-N 2.89Å
132K40Very low39.4Very low191 Ų191143.8 Ų143.883%0.8371%0.708SS**THydrogen-bonded Turntrans-1040.3175.3-98.7-175.6175.9-176.90115.4S129 K130S129-K132 PolarHBondContact O-N 3.1Å; K130-K132 PolarHBondContact O-N 3.31Å
133K30.6Very low38.4Very low185 Ų185149 Ų14980%0.80473%0.733SS**  trans-152.498.3178.2-80-175.6175.5173.50112K130K130-K133 PolarHBondContact O-N 3.42Å
134K30.9Very low37.3Very low199 Ų199153.7 Ų153.787%0.86575%0.752SS**  trans-177106146.1-104.7174.9-175.2-1720110.1
135D34.8Very low36Very low164 Ų164155.4 Ų155.488%0.87776%0.762SS**  trans-163.1123.6134.6-90.3-26.5000107.8
136P40Very low35.1Very low113 Ų113152.9 Ų152.973%0.73477%0.77SS**  trans-145.7134.6142.834.2-17.3000114.1
137K35.2Very low34.3Very low207 Ų207158.1 Ų158.190%0.979%0.792SS**  152.2145.7126.5-85.1172.7-179.8-177.50110
138A31.5Very low33.6Very low84 Ų84159.5 Ų159.569%0.69480%0.804SS**  cis170.9123.8-28.300000105.3
139T34.1Very low32.9Very low139 Ų139156.2 Ų156.285%0.85380%0.801SS**  trans-164.3104.1146.3-60000113.7
140K26.8Very low32.2Very low203 Ų203158.8 Ų158.888%0.88382%0.815SS**  trans28.4125.5138.2-62.4178.7175.1-179.20121.5
141A30.9Very low31.8Very low91 Ų91161 Ų16175%0.75283%0.827SS**  177.5139104.400000113.7
142E32.7Very low31.2Very low186 Ų186160.8 Ų160.887%0.86983%0.829SS**  trans81.994.8146.6-70.2170-169.200124.1
143Q26.1Very low30.6Very low188 Ų188159.9 Ų159.988%0.87983%0.827SS**  trans15.9121.8131.2-65.7173.3-13.400122
144H31.5Very low30.4Very low183 Ų183158.6 Ų158.685%0.84783%0.826SS**  trans-151.1157.2133.5-120.6-76.8000111.2
145E28.4Very low30.2Very low178 Ų178157.8 Ų157.883%0.83283%0.826SS**  trans-70.7167.3-156.4-70.1161.5131.900118.5
146A26.9Very low29.8Very low99 Ų99156 Ų15682%0.81882%0.816SS**  trans-60.2129.3-172.100000116.4
147Q29.9Very low29.2Very low183 Ų183156.7 Ų156.786%0.85582%0.818SS**  trans-136.4133.4144.1-77.7-175.9-6.900108.2P149Q147-P149 VanDerWaalsContact O-CD 3.29Å; Q147-P149 WeakPolarHBondContact O-CD 3.17Å
148I34.3Very low28.7Very low170 Ų170151 Ų15187%0.87280%0.802SS**  trans-76.5126.4177.7-62.3163.9000108.7
149P27.5Very low28.7Very low112 Ų112152.7 Ų152.773%0.72781%0.806SS**  trans-115.7114.1162.113.69.6000111.6Q147Q147-P149 VanDerWaalsContact O-CD 3.29Å; Q147-P149 WeakPolarHBondContact O-CD 3.17Å
150T27.1Very low28.5Very low121 Ų121153.2 Ų153.274%0.74280%0.804SS**  trans25.3126.5133.6-28.20000119.9Q152T150-Q152 PolarHBondContact O-N 3.25Å
151Q28.7Very low28.6Very low188 Ų188150 Ų15088%0.87980%0.802SS**  trans-38114.2162.3-73.3169.9-37.100112.9
152Q27.9Very low28.8Very low192 Ų192151.2 Ų151.290%0.89779%0.792SS**  trans-109.989155.1-77.4178.8-34.500105.6T150T150-Q152 PolarHBondContact O-N 3.25Å
153H27Very low29Very low172 Ų172147.7 Ų147.780%0.79679%0.787SS**  37.910196-129.9-71.4000111E155H153-E155 PolarHBondContact O-N 3.09Å
154M26.3Very low29.8Very low158 Ų158140.6 Ų140.678%0.77877%0.765SS**  trans-54.3109.4163.9-140.4164.873.500105.7D156M154-D156 PolarHBondContact O-N 2.63Å
155E26.5Very low30.7Very low183 Ų183135.9 Ų135.986%0.85576%0.758SS**  trans-63.395.1164-98.8176.7157.200106.2H153 T157H153-E155 PolarHBondContact O-N 3.09Å; E155-T157 PolarHBondContact O-N 3.04Å
156D26.4Very low32.1Very low127 Ų127132.6 Ų132.668%0.67975%0.75SS**  trans-5398.3151.1-75.2-39.9000105.9M154 P158M154-D156 PolarHBondContact O-N 2.63Å; D156-P158 WeakPolarHBondContact O-CD 3.49Å
157T26.7Very low34.3Very low127 Ų127131.3 Ų131.378%0.77973%0.729SS**  trans-59.8106.8163.1-48.40000105.4E155E155-T157 PolarHBondContact O-N 3.04Å
158P26.4Very low37Very low86 Ų86125.2 Ų125.256%0.55870%0.704SS**  trans-65.2140.7172.40.816.6000105.6D156 N160D156-P158 WeakPolarHBondContact O-CD 3.49Å; P158-N160 PolarHBondContact O-N 3.44Å
159P31.6Very low39.8Very low120 Ų120117.1 Ų117.178%0.77966%0.663SS**  trans-56.1124.1165.426.4-29.8000105.8T161P159-T161 PolarHBondContact O-N 3.17Å
160N29.3Very low42.9Very low150 Ų150112.2 Ų112.280%0.80263%0.632SS**  trans-36118.8177.9-79.7-22.1000109.7P158 E162P158-N160 PolarHBondContact O-N 3.44Å; N160-E162 PolarHBondContact O-N 2.83Å
161T27.5Very low46Very low137 Ų137107.8 Ų107.884%0.8460%0.604SS**  trans-64.774.5174.9-19.80000108P159 S163P159-T161 PolarHBondContact O-N 3.17Å; T161-S163 PolarHBondContact O-N 3.33Å
162E35.8Very low49.1Very low115 Ų115102 Ų10254%0.53758%0.581SS.*  trans-66.5112.3159.6-80.4-171.1-173.300106N160 G164 A165 R253N160-E162 PolarHBondContact O-N 2.83Å; E162-G164 PolarHBondContact O-N 3.37Å; E162-A165 PolarHBondContact O-N 3.45Å; E162-A165 VanDerWaalsContact O-N 3.1Å; E162-R253 IonicContact OE2-CZ 3.66Å; E162-R253 IonicContact OE2-NH1 2.74Å; E162-R253 IonicContact OE2-NH2 3.95Å; E162-R253 PolarHBondContact OE2-NH2 3.21Å
163S38.1Very low52Low112 Ų11295.4 Ų95.478%0.78355%0.552SS**THydrogen-bonded Turntrans-51.64.6175.438.50000115.8T161 T166T161-S163 PolarHBondContact O-N 3.33Å; S163-T166 PolarHBondContact O-OG1 2.98Å
164G41.5Very low54.6Low39 Ų3991.5 Ų91.540%0.40254%0.542SS..THydrogen-bonded Turntrans-93.1-9.6171.900000115.2E162 T166 R250E162-G164 PolarHBondContact O-N 3.37Å; G164-T166 VanDerWaalsContact C-N 3.31Å; G164-T166 PolarHBondContact O-N 3.22Å; G164-R250 PolarHBondContact O-NE 3.33Å; G164-R250 PolarHBondContact O-NH2 3.02Å
165A50.2Low57.6Low85 Ų8584.5 Ų84.570%0.70251%0.507SS*.SBendtrans-78-10.4-178.700000114.4E162E162-A165 PolarHBondContact O-N 3.45Å; E162-A165 VanDerWaalsContact O-N 3.1Å
166T58.5Low60.7Low109 Ų10977.8 Ų77.867%0.66948%0.479SS*.SBendtrans-91.1-19.8-172.439.80000114.8S163 G164 V168S163-T166 PolarHBondContact O-OG1 2.98Å; G164-T166 VanDerWaalsContact C-N 3.31Å; G164-T166 PolarHBondContact O-N 3.22Å; T166-V168 PolarHBondContact O-N 3.4Å
167D72.3Confident63.6Low72 Ų7277.6 Ų77.639%0.38547%0.469SS..  trans-73.5123.4-174.2-73.2-7.2000111.8L169 R250D167-L169 PolarHBondContact O-N 3.33Å; D167-R250 PolarHBondContact O-NH1 3.39Å; D167-R250 PolarHBondContact O-NH2 3.17Å
168V88.1Confident66.6Low54 Ų5475.1 Ų75.133%0.32745%0.454SS..  trans-68.5128176.1-67.50000110.2T166 V171 R246T166-V168 PolarHBondContact O-N 3.4Å; V168-V171 HydrophobicContact CB-CG2 4.41Å; V168-V171 HydrophobicContact CG2-CG2 3.71Å; V168-R246 WeakPolarHBondContact O-CD 3.3Å; V168-R246 PolarHBondContact O-NH1 2.98Å
169L92.4Very high69.7Low0 Ų074.2 Ų74.20%044%0.442CS..SBendtrans-85-21.7179.2-61.1-178.9000112.2D167 Y243 R246 L247 F251 C486 D490D167-L169 PolarHBondContact O-N 3.33Å; L169-Y243 PolarHBondContact O-N 3.37Å; L169-R246 HydrophobicContact CD2-CB 3.91Å; L169-L247 HydrophobicContact CD1-CD1 3.96Å; L169-L247 HydrophobicContact CD2-CB 4.39Å; L169-F251 HydrophobicContact CD1-CE2 4.13Å; L169-C486 HydrophobicContact CB-CB 4.35Å; L169-C486 WeakPolarHBondContact CB-O 3.33Å; L169-D490 HydrophobicContact CD1-CB 4.41Å
170S93.3Very high72.6Confident10 Ų1069.1 Ų69.17%0.0741%0.407CS..EExtended strand (participates in β ladder)trans-145.1152.4174.866.30000111.2E241 F487S170-E241 VanDerWaalsContact CA-O 3.28Å; S170-E241 WeakPolarHBondContact CA-O 3.47Å; S170-E241 WeakPolarHBondContact CB-O 3.5Å; S170-F487 WeakPolarHBondContact OG-CD1 3.42Å
171V92.3Very high75.7Confident27 Ų2765.3 Ų65.316%0.16439%0.39CS..EExtended strand (participates in β ladder)trans-130.8140.6177.6170.70000109.9V168 I173 R240 E241 Y243V168-V171 HydrophobicContact CB-CG2 4.41Å; V168-V171 HydrophobicContact CG2-CG2 3.71Å; V171-I173 HydrophobicContact CG1-CG1 4.43Å; V171-R240 WeakPolarHBondContact O-CA 3.23Å; V171-E241 PolarHBondContact N-O 2.93Å; V171-E241 PolarHBondContact O-N 3.43Å; V171-Y243 HydrophobicContact CB-CE2 4.2Å; V171-Y243 HydrophobicContact CG2-CE2 3.79Å
172V92.6Very high78.9Confident67 Ų6761.3 Ų61.341%0.40637%0.368SS..EExtended strand (participates in β ladder)trans-87.1121.3169.9-1800000108.6P174 I238 N239 R240V172-P174 WeakPolarHBondContact O-CD 3.48Å; V172-I238 HydrophobicContact CG1-CB 3.96Å; V172-I238 HydrophobicContact CG1-CD1 3.94Å; V172-I238 HydrophobicContact CG1-CG2 4.15Å; V172-N239 CarbonylContact C-O 3.52Å; V172-N239 WeakPolarHBondContact CA-O 3.36Å; V172-R240 HydrophobicContact CG2-CG 4.5Å; V172-R240 VanDerWaalsContact CG2-NH1 3.32Å
173I89.1Confident81.7Confident54 Ų5455.9 Ų55.928%0.27734%0.342SS..EExtended strand (participates in β ladder)trans-100.5109.6175.9-59.8-179.3000107.9V171 N239 E241V171-I173 HydrophobicContact CG1-CG1 4.43Å; I173-N239 HydrophobicContact CB-CB 4.11Å; I173-N239 PolarHBondContact N-O 3.08Å; I173-N239 WeakPolarHBondContact O-CB 3.26Å; I173-N239 PolarHBondContact O-N 3.43Å; I173-E241 HydrophobicContact CD1-CB 4.15Å; I173-E241 HydrophobicContact CD1-CG 3.53Å; I173-E241 WeakPolarHBondContact CD1-OE1 3.5Å
174P82.3Confident84.4Confident89 Ų8954 Ų5458%0.57832%0.318SS*.EExtended strand (participates in β ladder)trans-67.4145.2173.929.6-33.3000109.5V172V172-P174 WeakPolarHBondContact O-CD 3.48Å
175I89.1Confident87Confident12 Ų1256.8 Ų56.86%0.06232%0.323CS..PPolyproline II helixtrans-64140.9171.4-57.7-163000108.9R177 K179 I180 P237 W816I175-R177 PolarHBondContact O-N 3Å; I175-K179 HydrophobicContact CG2-CB 4.45Å; I175-I180 HydrophobicContact CB-CD1 4.05Å; I175-I180 HydrophobicContact CB-CG1 3.62Å; I175-I180 HydrophobicContact CD1-CD1 4.22Å; I175-I180 HydrophobicContact CG2-CD1 3.79Å; I175-I180 HydrophobicContact CG2-CG1 3.55Å; I175-P237 HydrophobicContact CD1-CB 3.74Å; I175-P237 HydrophobicContact CD1-CG 3.61Å; I175-P237 HydrophobicContact CG1-CG 4.38Å; I175-W816 HydrophobicContact CD1-CD2 4.03Å; I175-W816 HydrophobicContact CD1-CE3 3.26Å; I175-W816 HydrophobicContact CD1-CZ3 3.8Å; I175-W816 HydrophobicContact CG2-CB 4Å
176P90.7Very high89.2Confident41 Ų4153.8 Ų53.827%0.26630%0.295SS..PPolyproline II helixtrans-46.4126178.8-31.735.6000112.2T178 K179 I180P176-T178 PolarHBondContact O-N 3.33Å; P176-T178 VanDerWaalsContact O-N 3.15Å; P176-K179 PolarHBondContact O-N 3.31Å; P176-I180 PolarHBondContact O-N 3.36Å
177R87.1Confident91Very high123 Ų12348.6 Ų48.646%0.46426%0.264SS..Hα-helixtrans-56.4-35.9-171.7-74.3-178.1170-143.6-3.6112.7Y42 I175 K179 I180 T181Y42-R177 PolarHBondContact OH-NH1 3.42Å; Y42-R177 PolarHBondContact OH-NH2 3.21Å; I175-R177 PolarHBondContact O-N 3Å; R177-K179 VanDerWaalsContact C-N 3.3Å; R177-K179 PolarHBondContact O-N 2.95Å; R177-I180 PolarHBondContact O-N 3.17Å; R177-T181 VanDerWaalsContact O-CB 3.31Å; R177-T181 WeakPolarHBondContact O-CB 3.22Å; R177-T181 PolarHBondContact O-N 2.99Å; R177-T181 PolarHBondContact O-OG1 2.71Å
178T90.1Very high92.1Very high76 Ų7648.6 Ų48.647%0.46626%0.263SS..Hα-helixtrans-57.2-42.5177.552.40000111.9P176 S182P176-T178 PolarHBondContact O-N 3.33Å; P176-T178 VanDerWaalsContact O-N 3.15Å; T178-S182 PolarHBondContact O-N 3.05Å; T178-S182 PolarHBondContact O-OG 3.44Å; T178-S182 VanDerWaalsContact O-OG 3.04Å
179K91.9Very high92.5Very high67 Ų6751.2 Ų51.229%0.29127%0.273SS..Hα-helixtrans-70-45.6178.8-62-174.1179.2-172.40111.9I175 P176 R177 Y183 R815 W816I175-K179 HydrophobicContact CG2-CB 4.45Å; P176-K179 PolarHBondContact O-N 3.31Å; R177-K179 VanDerWaalsContact C-N 3.3Å; R177-K179 PolarHBondContact O-N 2.95Å; K179-Y183 WeakPolarHBondContact O-CB 3.5Å; K179-Y183 PolarHBondContact O-N 3.2Å; K179-Y183 VanDerWaalsContact O-N 3.12Å; K179-R815 HydrophobicContact CD-CG 4.46Å; K179-R815 PolarHBondContact NZ-O 2.87Å; K179-W816 HydrophobicContact CB-CB 4.21Å; K179-W816 HydrophobicContact CD-CB 4.3Å
180I92.7Very high92.7Very high12 Ų1252.4 Ų52.46%0.06228%0.277CS..Hα-helixtrans-74.6-40.2-174.9-67.8-54000112.9I175 P176 R177 Y183 R184 P237 W816I175-I180 HydrophobicContact CB-CD1 4.05Å; I175-I180 HydrophobicContact CB-CG1 3.62Å; I175-I180 HydrophobicContact CD1-CD1 4.22Å; I175-I180 HydrophobicContact CG2-CD1 3.79Å; I175-I180 HydrophobicContact CG2-CG1 3.55Å; P176-I180 PolarHBondContact O-N 3.36Å; R177-I180 PolarHBondContact O-N 3.17Å; I180-Y183 WeakPolarHBondContact O-CB 3.35Å; I180-Y183 PolarHBondContact O-N 3.41Å; I180-R184 HydrophobicContact CG2-CG 4.26Å; I180-R184 VanDerWaalsContact CG2-CZ 3.48Å; I180-R184 WeakPolarHBondContact O-CG 3.39Å; I180-R184 PolarHBondContact O-N 3.04Å; I180-P237 HydrophobicContact CD1-CG 3.58Å; I180-P237 HydrophobicContact CG1-CG 4.49Å; I180-W816 HydrophobicContact CD1-CB 4.3Å; I180-W816 HydrophobicContact CD1-CD2 4.34Å; I180-W816 HydrophobicContact CD1-CG 4.04Å
181T93.5Very high92.8Very high71 Ų7154.8 Ų54.844%0.43629%0.289SS..Hα-helixtrans-63.6-44.2178.2-59.60000110.7R177 Y183 R184 I185R177-T181 VanDerWaalsContact O-CB 3.31Å; R177-T181 WeakPolarHBondContact O-CB 3.22Å; R177-T181 PolarHBondContact O-N 2.99Å; R177-T181 PolarHBondContact O-OG1 2.71Å; T181-Y183 VanDerWaalsContact C-N 3.35Å; T181-Y183 PolarHBondContact O-N 3.31Å; T181-R184 PolarHBondContact O-N 3.15Å; T181-I185 HydrophobicContact CG2-CD1 3.95Å; T181-I185 VanDerWaalsContact O-CG1 3.3Å; T181-I185 WeakPolarHBondContact O-CG1 3.48Å; T181-I185 PolarHBondContact O-N 2.89Å
182S94.9Very high93Very high53 Ų5357.7 Ų57.737%0.37130%0.302SS..Hα-helixtrans-59.7-44.2173.7-62.20000112.2T178 I185 V186T178-S182 PolarHBondContact O-N 3.05Å; T178-S182 PolarHBondContact O-OG 3.44Å; T178-S182 VanDerWaalsContact O-OG 3.04Å; S182-I185 PolarHBondContact O-N 2.86Å; S182-V186 WeakPolarHBondContact O-CG2 3.41Å; S182-V186 PolarHBondContact O-N 3.26Å; S182-V186 VanDerWaalsContact O-N 3.1Å
183Y95.3Very high93.2Very high0 Ų056.4 Ų56.40%029%0.293CS..Hα-helixtrans-59.3-47.5176.8177.8-121000112.3K179 I180 T181 I185 V186 I187 Q231 T809 L812 E813 W816K179-Y183 WeakPolarHBondContact O-CB 3.5Å; K179-Y183 PolarHBondContact O-N 3.2Å; K179-Y183 VanDerWaalsContact O-N 3.12Å; I180-Y183 WeakPolarHBondContact O-CB 3.35Å; I180-Y183 PolarHBondContact O-N 3.41Å; T181-Y183 VanDerWaalsContact C-N 3.35Å; T181-Y183 PolarHBondContact O-N 3.31Å; Y183-I185 PolarHBondContact O-N 3.28Å; Y183-V186 PolarHBondContact O-N 3.19Å; Y183-I187 HydrophobicContact CD1-CD1 3.71Å; Y183-I187 HydrophobicContact CD2-CD1 3.98Å; Y183-I187 HydrophobicContact CD2-CG1 4.35Å; Y183-I187 HydrophobicContact CE1-CD1 3.3Å; Y183-I187 HydrophobicContact CE2-CD1 3.6Å; Y183-I187 HydrophobicContact CE2-CG1 4.04Å; Y183-I187 HydrophobicContact CG-CD1 4.04Å; Y183-I187 WeakPolarHBondContact O-CG1 3.33Å; Y183-I187 PolarHBondContact O-N 2.75Å; Y183-Q231 PolarHBondContact OH-OE1 3.38Å; Y183-T809 HydrophobicContact CE2-CG2 4.02Å; Y183-L812 HydrophobicContact CD2-CB 4.03Å; Y183-E813 HydrophobicContact CE2-CB 3.8Å; Y183-E813 HydrophobicContact CE2-CG 4.25Å; Y183-W816 AromaticContact CD1-NE1 3.75Å; Y183-W816 AromaticContact CE1-NE1 3.71Å; Y183-W816 AromaticContact CG-NE1 3.99Å; Y183-W816 AromaticContact CZ-NE1 3.91Å
184R95.2Very high93.5Very high72 Ų7254.9 Ų54.927%0.27229%0.285SS..Hα-helixtrans-61.9-45178.5-72.9173.4178.4167.60.9112.4I180 T181 V186 I187 I188 W235I180-R184 HydrophobicContact CG2-CG 4.26Å; I180-R184 VanDerWaalsContact CG2-CZ 3.48Å; I180-R184 WeakPolarHBondContact O-CG 3.39Å; I180-R184 PolarHBondContact O-N 3.04Å; T181-R184 PolarHBondContact O-N 3.15Å; R184-V186 VanDerWaalsContact C-N 3.3Å; R184-V186 PolarHBondContact O-N 3.32Å; R184-I187 PolarHBondContact O-N 3.44Å; R184-I188 WeakPolarHBondContact O-CG1 3.44Å; R184-I188 PolarHBondContact O-N 3.5Å; R184-W235 HydrophobicContact CB-CH2 4.18Å; R184-W235 HydrophobicContact CB-CZ2 4.38Å; R184-W235 HydrophobicContact CG-CD2 4.39Å; R184-W235 HydrophobicContact CG-CE3 4.48Å; R184-W235 HydrophobicContact CG-CH2 4.22Å; R184-W235 HydrophobicContact CG-CZ2 4.13Å; R184-W235 HydrophobicContact CG-CZ3 4.41Å; R184-W235 PolarHBondContact NE-O 3.04Å; R184-W235 PolarHBondContact NH2-O 3.4Å
185I95.8Very high94.1Very high99 Ų9953.6 Ų53.651%0.50828%0.282SS..Hα-helixtrans-57.9-46.7177.2-69.5167000110.1T181 S182 Y183 I187 I188 M189T181-I185 HydrophobicContact CG2-CD1 3.95Å; T181-I185 VanDerWaalsContact O-CG1 3.3Å; T181-I185 WeakPolarHBondContact O-CG1 3.48Å; T181-I185 PolarHBondContact O-N 2.89Å; S182-I185 PolarHBondContact O-N 2.86Å; Y183-I185 PolarHBondContact O-N 3.28Å; I185-I187 PolarHBondContact O-N 3.45Å; I185-I188 PolarHBondContact O-N 2.91Å; I185-M189 HydrophobicContact CG2-CG 4.36Å; I185-M189 VanDerWaalsContact O-CG 3.29Å; I185-M189 WeakPolarHBondContact O-CG 3.36Å; I185-M189 PolarHBondContact O-N 3.36Å
186V96.2Very high94.4Very high21 Ų2157.4 Ų57.413%0.12730%0.302CS..Hα-helixtrans-66.4-38.9-178.8172.20000112.2S182 Y183 R184 I188 M189 R190 L808 L812S182-V186 WeakPolarHBondContact O-CG2 3.41Å; S182-V186 PolarHBondContact O-N 3.26Å; S182-V186 VanDerWaalsContact O-N 3.1Å; Y183-V186 PolarHBondContact O-N 3.19Å; R184-V186 VanDerWaalsContact C-N 3.3Å; R184-V186 PolarHBondContact O-N 3.32Å; V186-I188 PolarHBondContact O-N 3.08Å; V186-M189 PolarHBondContact O-N 3.12Å; V186-R190 WeakPolarHBondContact O-CB 3.12Å; V186-R190 PolarHBondContact O-N 3Å; V186-L808 HydrophobicContact CG1-CB 4.2Å; V186-L808 HydrophobicContact CG1-CD2 3.96Å; V186-L808 HydrophobicContact CG1-CG 3.96Å; V186-L808 HydrophobicContact CG2-CD2 3.66Å; V186-L808 HydrophobicContact CG2-CG 4.1Å; V186-L812 HydrophobicContact CB-CD1 3.95Å; V186-L812 HydrophobicContact CG1-CD1 4.38Å; V186-L812 HydrophobicContact CG2-CD1 3.55Å
187I95.5Very high94.5Very high1 Ų156 Ų561%0.00529%0.292CS..Hα-helixtrans-60.8-44.9174.3-69.7162.8000111.3Y183 R184 I185 R190 L191 W227 T809Y183-I187 HydrophobicContact CD1-CD1 3.71Å; Y183-I187 HydrophobicContact CD2-CD1 3.98Å; Y183-I187 HydrophobicContact CD2-CG1 4.35Å; Y183-I187 HydrophobicContact CE1-CD1 3.3Å; Y183-I187 HydrophobicContact CE2-CD1 3.6Å; Y183-I187 HydrophobicContact CE2-CG1 4.04Å; Y183-I187 HydrophobicContact CG-CD1 4.04Å; Y183-I187 WeakPolarHBondContact O-CG1 3.33Å; Y183-I187 PolarHBondContact O-N 2.75Å; R184-I187 PolarHBondContact O-N 3.44Å; I185-I187 PolarHBondContact O-N 3.45Å; I187-R190 WeakPolarHBondContact O-CB 3.25Å; I187-R190 PolarHBondContact O-N 3.12Å; I187-L191 PolarHBondContact O-N 3.45Å; I187-W227 HydrophobicContact CG2-CH2 4.38Å; I187-T809 HydrophobicContact CG1-CG2 4.07Å
188I96.4Very high94.9Very high71 Ų7151.6 Ų51.636%0.36428%0.276SS..Hα-helixtrans-65.4-42.7178.4-64.7-59.2000111R184 I185 V186 R190 L191 I192 W235R184-I188 WeakPolarHBondContact O-CG1 3.44Å; R184-I188 PolarHBondContact O-N 3.5Å; I185-I188 PolarHBondContact O-N 2.91Å; V186-I188 PolarHBondContact O-N 3.08Å; I188-R190 VanDerWaalsContact C-N 3.31Å; I188-R190 PolarHBondContact O-N 3.26Å; I188-L191 WeakPolarHBondContact O-CB 3.28Å; I188-L191 PolarHBondContact O-N 3.26Å; I188-I192 HydrophobicContact CG2-CD1 4.23Å; I188-I192 WeakPolarHBondContact O-CG1 3.07Å; I188-I192 PolarHBondContact O-N 2.65Å; I188-W235 HydrophobicContact CD1-CH2 3.76Å; I188-W235 HydrophobicContact CD1-CZ3 3.99Å; I188-W235 HydrophobicContact CG1-CH2 3.87Å; I188-W235 HydrophobicContact CG1-CZ3 4.3Å
189M96.1Very high95Very high109 Ų10953 Ų5354%0.53728%0.281SS..Hα-helixtrans-60.5-41.9174.5-70.5-66.5-92.800111.6I185 V186 L191 I192 I193I185-M189 HydrophobicContact CG2-CG 4.36Å; I185-M189 VanDerWaalsContact O-CG 3.29Å; I185-M189 WeakPolarHBondContact O-CG 3.36Å; I185-M189 PolarHBondContact O-N 3.36Å; V186-M189 PolarHBondContact O-N 3.12Å; M189-L191 VanDerWaalsContact C-N 3.34Å; M189-L191 PolarHBondContact O-N 3.36Å; M189-I192 PolarHBondContact O-N 3.19Å; M189-I192 HydrophobicContact SD-CD1 4.45Å; M189-I193 WeakPolarHBondContact O-CG1 3.21Å; M189-I193 PolarHBondContact O-N 3.34Å
190R96.4Very high95Very high25 Ų2550.7 Ų50.79%0.09427%0.27CS..Hα-helixtrans-60.4-42.9174.6178.9168.2171-175-0.9111.4V186 I187 I188 I192 I193 L194 W227 T809V186-R190 WeakPolarHBondContact O-CB 3.12Å; V186-R190 PolarHBondContact O-N 3Å; I187-R190 WeakPolarHBondContact O-CB 3.25Å; I187-R190 PolarHBondContact O-N 3.12Å; I188-R190 VanDerWaalsContact C-N 3.31Å; I188-R190 PolarHBondContact O-N 3.26Å; R190-I192 VanDerWaalsContact C-N 3.33Å; R190-I192 PolarHBondContact O-N 2.95Å; R190-I193 PolarHBondContact O-N 3.39Å; R190-L194 WeakPolarHBondContact O-CB 3.41Å; R190-L194 PolarHBondContact O-N 3.48Å; R190-W227 HydrophobicContact CB-CH2 4.27Å; R190-W227 HydrophobicContact CB-CZ2 4.44Å; R190-W227 VanDerWaalsContact CD-CZ2 3.44Å; R190-W227 HydrophobicContact CG-CH2 3.82Å; R190-W227 HydrophobicContact CG-CZ2 3.85Å; R190-W227 VanDerWaalsContact NH2-NE1 3.11Å; R190-T809 WeakPolarHBondContact CD-OG1 3.29Å
191L96.3Very high95Very high60 Ų6050.1 Ų50.131%0.31427%0.268SS..Hα-helixtrans-59.9-42.1176.1-172.269.7000112I187 I188 M189 L194 A195 W227 V228 F232I187-L191 PolarHBondContact O-N 3.45Å; I188-L191 WeakPolarHBondContact O-CB 3.28Å; I188-L191 PolarHBondContact O-N 3.26Å; M189-L191 VanDerWaalsContact C-N 3.34Å; M189-L191 PolarHBondContact O-N 3.36Å; L191-L194 PolarHBondContact O-N 3.2Å; L191-A195 PolarHBondContact O-N 3.42Å; L191-W227 HydrophobicContact CD1-CZ3 4.09Å; L191-V228 HydrophobicContact CD1-CG2 3.91Å; L191-F232 HydrophobicContact CD2-CZ 4.28Å
192I96.5Very high94.9Very high88 Ų8851.2 Ų51.245%0.45127%0.27SS..Hα-helixtrans-64.4-48.9177-65166.2000111I188 M189 R190 L194 A195 L196I188-I192 HydrophobicContact CG2-CD1 4.23Å; I188-I192 WeakPolarHBondContact O-CG1 3.07Å; I188-I192 PolarHBondContact O-N 2.65Å; M189-I192 PolarHBondContact O-N 3.19Å; M189-I192 HydrophobicContact SD-CD1 4.45Å; R190-I192 VanDerWaalsContact C-N 3.33Å; R190-I192 PolarHBondContact O-N 2.95Å; I192-L194 PolarHBondContact O-N 3.22Å; I192-A195 PolarHBondContact O-N 3.34Å; I192-L196 HydrophobicContact CG2-CD1 4.35Å; I192-L196 WeakPolarHBondContact O-CG 3.37Å; I192-L196 PolarHBondContact O-N 3.16Å
193I96.1Very high94.7Very high41 Ų4152.6 Ų52.621%0.2128%0.276CS..Hα-helixtrans-58.6-41.1178-68.4166.6000110.3M189 R190 L196 F197 L802M189-I193 WeakPolarHBondContact O-CG1 3.21Å; M189-I193 PolarHBondContact O-N 3.34Å; R190-I193 PolarHBondContact O-N 3.39Å; I193-L196 PolarHBondContact O-N 3.33Å; I193-F197 VanDerWaalsContact O-CB 3.3Å; I193-F197 WeakPolarHBondContact O-CB 3.39Å; I193-F197 PolarHBondContact O-N 3Å; I193-L802 HydrophobicContact CG2-CB 4.17Å; I193-L802 HydrophobicContact CG2-CD1 4.5Å
194L95.2Very high94.4Very high21 Ų2156.5 Ų56.511%0.1129%0.294CS..Hα-helixtrans-68.4-37-178.8-161.6154.1000111.6R190 L191 I192 F197 F198 A224 W227 L802R190-L194 WeakPolarHBondContact O-CB 3.41Å; R190-L194 PolarHBondContact O-N 3.48Å; L191-L194 PolarHBondContact O-N 3.2Å; I192-L194 PolarHBondContact O-N 3.22Å; L194-F197 WeakPolarHBondContact O-CB 3.35Å; L194-F197 PolarHBondContact O-N 2.87Å; L194-F198 HydrophobicContact CD2-CD2 3.6Å; L194-F198 HydrophobicContact CD2-CE2 3.22Å; L194-F198 HydrophobicContact CD2-CZ 4.2Å; L194-F198 HydrophobicContact CG-CE2 4.23Å; L194-F198 WeakPolarHBondContact O-CD2 3.4Å; L194-F198 PolarHBondContact O-N 3.02Å; L194-A224 HydrophobicContact CD1-CB 4.46Å; L194-A224 HydrophobicContact CD2-CB 3.64Å; L194-W227 HydrophobicContact CD1-CE3 4Å; L194-W227 HydrophobicContact CD1-CZ3 4.13Å; L194-L802 HydrophobicContact CB-CD1 4.46Å; L194-L802 HydrophobicContact CD1-CD1 4.39Å; L194-L802 HydrophobicContact CG-CD1 4.44Å
195A95.4Very high94.1Very high62 Ų6255.7 Ų55.751%0.51230%0.298SS..Hα-helixtrans-64.5-44.4171.600000112.4L191 I192 F197 F198 N199L191-A195 PolarHBondContact O-N 3.42Å; I192-A195 PolarHBondContact O-N 3.34Å; A195-F197 VanDerWaalsContact C-N 3.34Å; A195-F198 PolarHBondContact O-N 3.45Å; A195-N199 WeakPolarHBondContact O-CB 3.39Å; A195-N199 PolarHBondContact O-N 2.72Å
196L94.8Very high93.7Very high93 Ų9351.6 Ų51.649%0.48728%0.278SS..Hα-helixtrans-63.8-40.8175.5-67.9175.3000111.8I192 I193 N199 Y200 L798I192-L196 HydrophobicContact CG2-CD1 4.35Å; I192-L196 WeakPolarHBondContact O-CG 3.37Å; I192-L196 PolarHBondContact O-N 3.16Å; I193-L196 PolarHBondContact O-N 3.33Å; L196-N199 PolarHBondContact O-N 3.02Å; L196-Y200 PolarHBondContact O-N 3.29Å; L196-L798 HydrophobicContact CB-CD2 4Å
197F93.8Very high93.1Very high12 Ų1257.1 Ų57.15%0.05331%0.306CS..Hα-helixtrans-57.2-49.9175.4173.2-95.5000111.3I193 L194 A195 Y200 R201 F799 L802I193-F197 VanDerWaalsContact O-CB 3.3Å; I193-F197 WeakPolarHBondContact O-CB 3.39Å; I193-F197 PolarHBondContact O-N 3Å; L194-F197 WeakPolarHBondContact O-CB 3.35Å; L194-F197 PolarHBondContact O-N 2.87Å; A195-F197 VanDerWaalsContact C-N 3.34Å; F197-Y200 PolarHBondContact O-N 2.91Å; F197-R201 WeakPolarHBondContact O-CB 3.49Å; F197-R201 PolarHBondContact O-N 3.49Å; F197-F799 AromaticContact CE2-CD1 3.8Å; F197-F799 HydrophobicContact CE2-CD1 3.8Å; F197-F799 HydrophobicContact CE2-CD2 4.44Å; F197-F799 AromaticContact CE2-CE1 3.46Å; F197-F799 HydrophobicContact CE2-CE1 3.46Å; F197-F799 VanDerWaalsContact CE2-CE1 3.46Å; F197-F799 HydrophobicContact CE2-CE2 4.11Å; F197-F799 HydrophobicContact CE2-CG 4.29Å; F197-F799 AromaticContact CE2-CZ 3.61Å; F197-F799 HydrophobicContact CE2-CZ 3.61Å; F197-F799 AromaticContact CZ-CE1 3.94Å; F197-F799 HydrophobicContact CZ-CE1 3.94Å; F197-F799 HydrophobicContact CZ-CZ 4.18Å; F197-L802 HydrophobicContact CD1-CD2 4.41Å; F197-L802 HydrophobicContact CD2-CD2 4.23Å; F197-L802 HydrophobicContact CE2-CD2 4.37Å; F197-L802 HydrophobicContact CG-CD2 4.24Å
198F94.1Very high92.6Very high29 Ų2961.1 Ų61.113%0.12733%0.334CS..Hα-helixtrans-69.2-37.2178.9-75.7-49.5000113.8L194 A195 Y200 R201 I202 E220 I221 A224L194-F198 HydrophobicContact CD2-CD2 3.6Å; L194-F198 HydrophobicContact CD2-CE2 3.22Å; L194-F198 HydrophobicContact CD2-CZ 4.2Å; L194-F198 HydrophobicContact CG-CE2 4.23Å; L194-F198 WeakPolarHBondContact O-CD2 3.4Å; L194-F198 PolarHBondContact O-N 3.02Å; A195-F198 PolarHBondContact O-N 3.45Å; F198-Y200 VanDerWaalsContact C-N 3.28Å; F198-Y200 PolarHBondContact O-N 2.72Å; F198-R201 PolarHBondContact O-N 3.45Å; F198-R201 VanDerWaalsContact O-N 3.15Å; F198-I202 WeakPolarHBondContact O-CB 3.37Å; F198-I202 VanDerWaalsContact O-CG1 3.3Å; F198-I202 WeakPolarHBondContact O-CG1 3.49Å; F198-I202 PolarHBondContact O-N 2.83Å; F198-E220 HydrophobicContact CE1-CB 3.78Å; F198-E220 HydrophobicContact CZ-CB 4.25Å; F198-E220 WeakPolarHBondContact CZ-O 3.24Å; F198-I221 HydrophobicContact CD1-CG1 4.03Å; F198-I221 HydrophobicContact CE1-CG1 3.82Å; F198-I221 HydrophobicContact CZ-CG1 4.11Å; F198-A224 HydrophobicContact CE2-CB 3.33Å; F198-A224 HydrophobicContact CZ-CB 3.59Å
199N93.9Very high92.2Very high105 Ų10558 Ų5856%0.56132%0.319SS*.Hα-helixtrans-58.3-45.3173.9-175.649000110.8A195 L196 T203A195-N199 WeakPolarHBondContact O-CB 3.39Å; A195-N199 PolarHBondContact O-N 2.72Å; L196-N199 PolarHBondContact O-N 3.02Å; N199-T203 WeakPolarHBondContact O-CB 3.36Å; N199-T203 VanDerWaalsContact O-CG2 3.27Å; N199-T203 WeakPolarHBondContact O-CG2 3.43Å; N199-T203 PolarHBondContact O-N 2.84Å; N199-T203 PolarHBondContact O-OG1 3Å
200Y91.6Very high91.9Very high19 Ų1958.7 Ų58.78%0.07532%0.317CS..Hα-helixtrans-61.4-46.8173.1176.7-99.7000111.7L196 F197 F198 I202 T203 H204 A795 L798L196-Y200 PolarHBondContact O-N 3.29Å; F197-Y200 PolarHBondContact O-N 2.91Å; F198-Y200 VanDerWaalsContact C-N 3.28Å; F198-Y200 PolarHBondContact O-N 2.72Å; Y200-I202 PolarHBondContact O-N 2.89Å; Y200-T203 PolarHBondContact O-N 3.32Å; Y200-T203 PolarHBondContact O-OG1 2.99Å; Y200-H204 AromaticContact CD2-CE1 3.52Å; Y200-H204 AromaticContact CD2-ND1 3.46Å; Y200-H204 WeakPolarHBondContact CD2-ND1 3.48Å; Y200-H204 AromaticContact CE2-CD2 3.86Å; Y200-H204 AromaticContact CE2-CE1 3.4Å; Y200-H204 WeakPolarHBondContact CE2-CE1 3.36Å; Y200-H204 AromaticContact CE2-CG 3.71Å; Y200-H204 AromaticContact CE2-ND1 3.4Å; Y200-H204 WeakPolarHBondContact CE2-ND1 3.12Å; Y200-H204 AromaticContact CE2-NE2 3.66Å; Y200-H204 AromaticContact CZ-CG 3.94Å; Y200-H204 PolarHBondContact O-N 3.06Å; Y200-H204 PolarHBondContact O-ND1 3.36Å; Y200-A795 HydrophobicContact CE1-CB 3.62Å; Y200-A795 HydrophobicContact CE2-CB 4.25Å; Y200-A795 VanDerWaalsContact CZ-CB 3.48Å; Y200-A795 WeakPolarHBondContact OH-CB 3.36Å; Y200-L798 HydrophobicContact CG-CD1 4Å
201R91.2Very high91.7Very high1 Ų159.8 Ų59.80%0.00434%0.336CS..Hα-helixtrans-62.2-44.2-175.2-154.872.3178.4101.24112.5F197 F198 W213 V217 E220 I787 P789F197-R201 WeakPolarHBondContact O-CB 3.49Å; F197-R201 PolarHBondContact O-N 3.49Å; F198-R201 PolarHBondContact O-N 3.45Å; F198-R201 VanDerWaalsContact O-N 3.15Å; R201-W213 VanDerWaalsContact O-CZ2 3.28Å; R201-W213 WeakPolarHBondContact O-CZ2 3.4Å; R201-V217 HydrophobicContact CG-CG2 3.74Å; R201-E220 IonicContact NE-OE2 3.94Å; R201-I787 PolarHBondContact NH1-O 3.28Å; R201-I787 PolarHBondContact NH2-O 2.83Å; R201-P789 VanDerWaalsContact NH1-CD 3.32Å
202I91.9Very high91.5Very high94 Ų9458.5 Ų58.548%0.48233%0.329SS..Hα-helixtrans-70.5-35-179.2-66.9168000111.5F198 Y200 H204 V217 I221F198-I202 WeakPolarHBondContact O-CB 3.37Å; F198-I202 VanDerWaalsContact O-CG1 3.3Å; F198-I202 WeakPolarHBondContact O-CG1 3.49Å; F198-I202 PolarHBondContact O-N 2.83Å; Y200-I202 PolarHBondContact O-N 2.89Å; I202-H204 VanDerWaalsContact C-N 3.32Å; I202-V217 HydrophobicContact CG1-CG1 4.31Å; I202-I221 HydrophobicContact CD1-CD1 4.49Å
203T91Very high91.4Very high81 Ų8154.9 Ų54.950%0.49731%0.31SS..Hα-helixtrans-78.6-13179.951.40000114N199 Y200 P205N199-T203 WeakPolarHBondContact O-CB 3.36Å; N199-T203 VanDerWaalsContact O-CG2 3.27Å; N199-T203 WeakPolarHBondContact O-CG2 3.43Å; N199-T203 PolarHBondContact O-N 2.84Å; N199-T203 PolarHBondContact O-OG1 3Å; Y200-T203 PolarHBondContact O-N 3.32Å; Y200-T203 PolarHBondContact O-OG1 2.99Å; T203-P205 VanDerWaalsContact C-CD 3.47Å; T203-P205 WeakPolarHBondContact O-CD 3.3Å
204H89.5Confident91.3Very high83 Ų8356 Ų5638%0.38432%0.316SS..SBendtrans-12373.6-178.9-62.176.5000111.3Y200 I202Y200-H204 AromaticContact CD2-CE1 3.52Å; Y200-H204 AromaticContact CD2-ND1 3.46Å; Y200-H204 WeakPolarHBondContact CD2-ND1 3.48Å; Y200-H204 AromaticContact CE2-CD2 3.86Å; Y200-H204 AromaticContact CE2-CE1 3.4Å; Y200-H204 WeakPolarHBondContact CE2-CE1 3.36Å; Y200-H204 AromaticContact CE2-CG 3.71Å; Y200-H204 AromaticContact CE2-ND1 3.4Å; Y200-H204 WeakPolarHBondContact CE2-ND1 3.12Å; Y200-H204 AromaticContact CE2-NE2 3.66Å; Y200-H204 AromaticContact CZ-CG 3.94Å; Y200-H204 PolarHBondContact O-N 3.06Å; Y200-H204 PolarHBondContact O-ND1 3.36Å; I202-H204 VanDerWaalsContact C-N 3.32Å
205P88.9Confident91.2Very high54 Ų5457.8 Ų57.835%0.35133%0.328SS..  trans-67.3155.4174.229.8-34.7000112.1T203 Y210 W213T203-P205 VanDerWaalsContact C-CD 3.47Å; T203-P205 WeakPolarHBondContact O-CD 3.3Å; P205-Y210 HydrophobicContact CB-CD2 4.42Å; P205-Y210 HydrophobicContact CB-CE2 4.28Å; P205-W213 HydrophobicContact CB-CD2 4.29Å; P205-W213 HydrophobicContact CB-CE3 4.19Å; P205-W213 HydrophobicContact CB-CH2 3.83Å; P205-W213 HydrophobicContact CB-CZ2 3.91Å; P205-W213 HydrophobicContact CB-CZ3 3.98Å
206V87.6Confident91.2Very high14 Ų1455 Ų559%0.08530%0.304CS..  trans-104.494.7175.6-176.90000109.5S208 A209 Y210 W213 I787 P789V206-S208 VanDerWaalsContact C-N 3.26Å; V206-S208 WeakPolarHBondContact CG1-OG 3.35Å; V206-S208 PolarHBondContact O-N 2.99Å; V206-A209 HydrophobicContact CG1-CB 4.2Å; V206-A209 CarbonylContact O-C 3.57Å; V206-A209 VanDerWaalsContact O-C 3.26Å; V206-A209 PolarHBondContact O-N 2.94Å; V206-Y210 WeakPolarHBondContact O-CA 3.28Å; V206-Y210 PolarHBondContact O-N 2.85Å; V206-W213 HydrophobicContact CB-CB 4.16Å; V206-W213 HydrophobicContact CB-CG 4.32Å; V206-W213 HydrophobicContact CG2-CG 4.36Å; V206-I787 WeakPolarHBondContact CG2-O 3.23Å; V206-P789 HydrophobicContact CG2-CB 4.07Å; V206-P789 HydrophobicContact CG2-CG 4.25Å
207D83.4Confident91.2Very high136 Ų13650.9 Ų50.973%0.72728%0.283SS*.G310 helixtrans-61-33.5-173.6-63.1-31.8000113.3A209D207-A209 PolarHBondContact O-N 2.91Å
208S84.6Confident91.3Very high85 Ų8555.1 Ų55.159%0.59431%0.305SS*.G310 helixtrans-66.4-19.4178.6680000113.5V206 K785V206-S208 VanDerWaalsContact C-N 3.26Å; V206-S208 WeakPolarHBondContact CG1-OG 3.35Å; V206-S208 PolarHBondContact O-N 2.99Å; S208-K785 WeakPolarHBondContact O-CD 3.3Å; S208-K785 WeakPolarHBondContact O-CE 3.39Å; S208-K785 PolarHBondContact O-NZ 3.41Å
209A87.3Confident91.5Very high6 Ų654 Ų545%0.0530%0.301CS..G310 helixtrans-143.338.2-17400000112.4V206 D207 G211 L212 W213 K785V206-A209 HydrophobicContact CG1-CB 4.2Å; V206-A209 CarbonylContact O-C 3.57Å; V206-A209 VanDerWaalsContact O-C 3.26Å; V206-A209 PolarHBondContact O-N 2.94Å; D207-A209 PolarHBondContact O-N 2.91Å; A209-G211 VanDerWaalsContact C-N 3.31Å; A209-G211 PolarHBondContact O-N 3.04Å; A209-G211 VanDerWaalsContact O-N 3.14Å; A209-L212 HydrophobicContact CB-CB 4.45Å; A209-L212 HydrophobicContact CB-CD1 4.46Å; A209-L212 PolarHBondContact O-N 3.4Å; A209-W213 PolarHBondContact O-N 3.24Å; A209-K785 HydrophobicContact CB-CB 4.02Å; A209-K785 HydrophobicContact CB-CD 3.93Å; A209-K785 HydrophobicContact CB-CG 4.48Å
210Y90.4Very high91.5Very high123 Ų12350.2 Ų50.248%0.48228%0.28SS..Hα-helixtrans-52.2-43.9-168.7-172.5-99.9000114P205 V206 L212 W213 L214P205-Y210 HydrophobicContact CB-CD2 4.42Å; P205-Y210 HydrophobicContact CB-CE2 4.28Å; V206-Y210 WeakPolarHBondContact O-CA 3.28Å; V206-Y210 PolarHBondContact O-N 2.85Å; Y210-L212 PolarHBondContact O-N 3.34Å; Y210-W213 HydrophobicContact CD2-CE3 4.03Å; Y210-W213 HydrophobicContact CD2-CZ3 4.25Å; Y210-W213 AromaticContact CE2-CE3 3.88Å; Y210-W213 HydrophobicContact CE2-CE3 3.88Å; Y210-W213 AromaticContact CE2-CZ3 3.64Å; Y210-W213 HydrophobicContact CE2-CZ3 3.64Å; Y210-W213 PolarHBondContact O-N 2.88Å; Y210-L214 HydrophobicContact CE1-CD2 4.11Å; Y210-L214 VanDerWaalsContact O-CB 3.23Å; Y210-L214 WeakPolarHBondContact O-CB 3.46Å; Y210-L214 PolarHBondContact O-N 3.03Å
211G91.9Very high91.8Very high48 Ų4852.6 Ų52.650%0.49529%0.293SS..Hα-helixtrans-60.5-44.9177.200000113.7A209 L214 T215A209-G211 VanDerWaalsContact C-N 3.31Å; A209-G211 PolarHBondContact O-N 3.04Å; A209-G211 VanDerWaalsContact O-N 3.14Å; G211-L214 PolarHBondContact O-N 3.5Å; G211-T215 PolarHBondContact O-N 3.04Å; G211-T215 PolarHBondContact O-OG1 3.15Å
212L92.1Very high92Very high33 Ų3358 Ų5817%0.17331%0.313CS..Hα-helixtrans-67.6-41.7178.3-67.2174.3000111.6A209 Y210 S216 L776 I779 K785 I787A209-L212 HydrophobicContact CB-CB 4.45Å; A209-L212 HydrophobicContact CB-CD1 4.46Å; A209-L212 PolarHBondContact O-N 3.4Å; Y210-L212 PolarHBondContact O-N 3.34Å; L212-S216 PolarHBondContact O-N 3.33Å; L212-L776 HydrophobicContact CD2-CD2 3.89Å; L212-I779 HydrophobicContact CD1-CG2 4.31Å; L212-I779 HydrophobicContact CD2-CG2 3.86Å; L212-K785 HydrophobicContact CD1-CB 4.06Å; L212-I787 HydrophobicContact CB-CG1 4.47Å
213W93.9Very high92.2Very high13 Ų1355.6 Ų55.65%0.04930%0.3CS..Hα-helixtrans-60.2-48.7174.517186.9000111.3R201 P205 V206 A209 Y210 T215 S216 V217R201-W213 VanDerWaalsContact O-CZ2 3.28Å; R201-W213 WeakPolarHBondContact O-CZ2 3.4Å; P205-W213 HydrophobicContact CB-CD2 4.29Å; P205-W213 HydrophobicContact CB-CE3 4.19Å; P205-W213 HydrophobicContact CB-CH2 3.83Å; P205-W213 HydrophobicContact CB-CZ2 3.91Å; P205-W213 HydrophobicContact CB-CZ3 3.98Å; V206-W213 HydrophobicContact CB-CB 4.16Å; V206-W213 HydrophobicContact CB-CG 4.32Å; V206-W213 HydrophobicContact CG2-CG 4.36Å; A209-W213 PolarHBondContact O-N 3.24Å; Y210-W213 HydrophobicContact CD2-CE3 4.03Å; Y210-W213 HydrophobicContact CD2-CZ3 4.25Å; Y210-W213 AromaticContact CE2-CE3 3.88Å; Y210-W213 HydrophobicContact CE2-CE3 3.88Å; Y210-W213 AromaticContact CE2-CZ3 3.64Å; Y210-W213 HydrophobicContact CE2-CZ3 3.64Å; Y210-W213 PolarHBondContact O-N 2.88Å; W213-T215 PolarHBondContact O-N 3.16Å; W213-S216 WeakPolarHBondContact O-CB 3.35Å; W213-S216 PolarHBondContact O-N 3.41Å; W213-S216 VanDerWaalsContact O-N 3.12Å; W213-V217 HydrophobicContact CD2-CG2 4.14Å; W213-V217 HydrophobicContact CG-CG2 4.48Å; W213-V217 HydrophobicContact CZ2-CG2 3.88Å; W213-V217 WeakPolarHBondContact O-CG2 3.25Å; W213-V217 PolarHBondContact O-N 3.47Å
214L94.1Very high92.4Very high64 Ų6452.3 Ų52.334%0.33528%0.281SS..Hα-helixtrans-61-45.5-179.2-179.763.1000111.2Y210 G211 S216 V217 I218Y210-L214 HydrophobicContact CE1-CD2 4.11Å; Y210-L214 VanDerWaalsContact O-CB 3.23Å; Y210-L214 WeakPolarHBondContact O-CB 3.46Å; Y210-L214 PolarHBondContact O-N 3.03Å; G211-L214 PolarHBondContact O-N 3.5Å; L214-S216 VanDerWaalsContact C-N 3.32Å; L214-S216 PolarHBondContact O-N 3.17Å; L214-V217 PolarHBondContact O-N 3.42Å; L214-I218 HydrophobicContact CD1-CD1 3.99Å; L214-I218 HydrophobicContact CD1-CG1 4.33Å; L214-I218 HydrophobicContact CG-CD1 3.93Å; L214-I218 VanDerWaalsContact O-CG1 3.29Å; L214-I218 WeakPolarHBondContact O-CG1 3.5Å; L214-I218 PolarHBondContact O-N 3.45Å
215T94.8Very high92.7Very high59 Ų5952.3 Ų52.336%0.36229%0.286SS..Hα-helixtrans-58.8-43.8174.6-57.80000111.5G211 W213 I218 C219 A772 L776G211-T215 PolarHBondContact O-N 3.04Å; G211-T215 PolarHBondContact O-OG1 3.15Å; W213-T215 PolarHBondContact O-N 3.16Å; T215-I218 PolarHBondContact O-N 3.42Å; T215-C219 PolarHBondContact O-N 3.25Å; T215-C219 PolarHBondContact O-SG 3.13Å; T215-A772 HydrophobicContact CG2-CB 4.35Å; T215-L776 HydrophobicContact CG2-CD1 4.43Å; T215-L776 HydrophobicContact CG2-CD2 4.36Å
216S94.8Very high93Very high3 Ų350.9 Ų50.92%0.02128%0.278CS..Hα-helixtrans-61.8-49177.8-161.40000112.2L212 W213 L214 I218 C219 E220 I787L212-S216 PolarHBondContact O-N 3.33Å; W213-S216 WeakPolarHBondContact O-CB 3.35Å; W213-S216 PolarHBondContact O-N 3.41Å; W213-S216 VanDerWaalsContact O-N 3.12Å; L214-S216 VanDerWaalsContact C-N 3.32Å; L214-S216 PolarHBondContact O-N 3.17Å; S216-I218 VanDerWaalsContact C-N 3.33Å; S216-I218 PolarHBondContact O-N 3.48Å; S216-C219 PolarHBondContact O-N 2.94Å; S216-E220 WeakPolarHBondContact O-CB 3.26Å; S216-E220 VanDerWaalsContact O-CG 3.25Å; S216-E220 WeakPolarHBondContact O-CG 3.33Å; S216-E220 PolarHBondContact O-N 3.27Å; S216-E220 PolarHBondContact OG-OE1 3.24Å; S216-I787 WeakPolarHBondContact OG-CG2 3.29Å
217V95Very high93.3Very high7 Ų751.6 Ų51.64%0.04228%0.279CS..Hα-helixtrans-62.2-41.8-178.7172.90000111.1R201 I202 W213 L214 C219 E220 I221R201-V217 HydrophobicContact CG-CG2 3.74Å; I202-V217 HydrophobicContact CG1-CG1 4.31Å; W213-V217 HydrophobicContact CD2-CG2 4.14Å; W213-V217 HydrophobicContact CG-CG2 4.48Å; W213-V217 HydrophobicContact CZ2-CG2 3.88Å; W213-V217 WeakPolarHBondContact O-CG2 3.25Å; W213-V217 PolarHBondContact O-N 3.47Å; L214-V217 PolarHBondContact O-N 3.42Å; V217-C219 PolarHBondContact O-N 3.13Å; V217-E220 PolarHBondContact O-N 3.36Å; V217-I221 HydrophobicContact CG1-CD1 3.75Å; V217-I221 HydrophobicContact CG1-CG1 4.35Å; V217-I221 WeakPolarHBondContact O-CB 3.38Å; V217-I221 VanDerWaalsContact O-CG1 3.25Å; V217-I221 WeakPolarHBondContact O-CG1 3.36Å; V217-I221 PolarHBondContact O-N 3.37Å
218I95.9Very high93.9Very high101 Ų10146.8 Ų46.852%0.51825%0.254SS..Hα-helixtrans-61.4-45.1175.7-69.6170000111.1L214 T215 S216 I221 W222L214-I218 HydrophobicContact CD1-CD1 3.99Å; L214-I218 HydrophobicContact CD1-CG1 4.33Å; L214-I218 HydrophobicContact CG-CD1 3.93Å; L214-I218 VanDerWaalsContact O-CG1 3.29Å; L214-I218 WeakPolarHBondContact O-CG1 3.5Å; L214-I218 PolarHBondContact O-N 3.45Å; T215-I218 PolarHBondContact O-N 3.42Å; S216-I218 VanDerWaalsContact C-N 3.33Å; S216-I218 PolarHBondContact O-N 3.48Å; I218-I221 PolarHBondContact O-N 3.3Å; I218-W222 PolarHBondContact O-N 3.43Å
219C96.7Very high94.3Very high5 Ų544 Ų443%0.03423%0.233CC..Hα-helixtrans-64.1-44177.8-65.10000111.7T215 S216 V217 W222 F223 P769 Y773T215-C219 PolarHBondContact O-N 3.25Å; T215-C219 PolarHBondContact O-SG 3.13Å; S216-C219 PolarHBondContact O-N 2.94Å; V217-C219 PolarHBondContact O-N 3.13Å; C219-W222 WeakPolarHBondContact O-CB 3.49Å; C219-W222 PolarHBondContact O-N 3.45Å; C219-F223 WeakPolarHBondContact O-CG 3.37Å; C219-F223 PolarHBondContact O-N 3.47Å; C219-P769 HydrophobicContact CB-CB 4.03Å; C219-Y773 HydrophobicContact CB-CD2 3.89Å; C219-Y773 HydrophobicContact CB-CG 4.42Å
220E95.4Very high94.6Very high26 Ų2645.7 Ų45.712%0.12124%0.241CC..Hα-helixtrans-62.3-44.5178.6-71164.3-157.100111.3F198 R201 S216 V217 W222 F223 A224 Y773F198-E220 HydrophobicContact CE1-CB 3.78Å; F198-E220 HydrophobicContact CZ-CB 4.25Å; F198-E220 WeakPolarHBondContact CZ-O 3.24Å; R201-E220 IonicContact NE-OE2 3.94Å; S216-E220 WeakPolarHBondContact O-CB 3.26Å; S216-E220 VanDerWaalsContact O-CG 3.25Å; S216-E220 WeakPolarHBondContact O-CG 3.33Å; S216-E220 PolarHBondContact O-N 3.27Å; S216-E220 PolarHBondContact OG-OE1 3.24Å; V217-E220 PolarHBondContact O-N 3.36Å; E220-W222 VanDerWaalsContact C-N 3.31Å; E220-W222 PolarHBondContact O-N 2.76Å; E220-F223 PolarHBondContact O-N 2.94Å; E220-A224 PolarHBondContact O-N 3.5Å; E220-Y773 HydrophobicContact CG-CE2 3.93Å
221I96.3Very high94.8Very high68 Ų6840.3 Ų40.335%0.34922%0.22SC..Hα-helixtrans-59.5-43.5175-70.5168.2000110.5F198 I202 V217 I218 F223 A224 V225F198-I221 HydrophobicContact CD1-CG1 4.03Å; F198-I221 HydrophobicContact CE1-CG1 3.82Å; F198-I221 HydrophobicContact CZ-CG1 4.11Å; I202-I221 HydrophobicContact CD1-CD1 4.49Å; V217-I221 HydrophobicContact CG1-CD1 3.75Å; V217-I221 HydrophobicContact CG1-CG1 4.35Å; V217-I221 WeakPolarHBondContact O-CB 3.38Å; V217-I221 VanDerWaalsContact O-CG1 3.25Å; V217-I221 WeakPolarHBondContact O-CG1 3.36Å; V217-I221 PolarHBondContact O-N 3.37Å; I218-I221 PolarHBondContact O-N 3.3Å; I221-F223 PolarHBondContact O-N 2.89Å; I221-A224 WeakPolarHBondContact O-CB 3.48Å; I221-A224 PolarHBondContact O-N 3.48Å; I221-V225 WeakPolarHBondContact O-CG2 3.31Å; I221-V225 PolarHBondContact O-N 3.24Å
222W96.5Very high95Very high114 Ų11440.5 Ų40.543%0.43221%0.208SC..Hα-helixtrans-60.4-45.8176.6-171.1-74.2000111.9I218 C219 E220 A224 V225 S226 F765 T766 P769I218-W222 PolarHBondContact O-N 3.43Å; C219-W222 WeakPolarHBondContact O-CB 3.49Å; C219-W222 PolarHBondContact O-N 3.45Å; E220-W222 VanDerWaalsContact C-N 3.31Å; E220-W222 PolarHBondContact O-N 2.76Å; W222-A224 VanDerWaalsContact C-N 3.29Å; W222-A224 PolarHBondContact O-N 2.85Å; W222-V225 PolarHBondContact O-N 2.7Å; W222-S226 WeakPolarHBondContact O-CB 3.2Å; W222-S226 PolarHBondContact O-N 3.17Å; W222-F765 HydrophobicContact CH2-CB 4.42Å; W222-F765 HydrophobicContact CZ2-CB 3.84Å; W222-T766 PolarHBondContact NE1-OG1 2.74Å; W222-P769 HydrophobicContact CB-CB 4.34Å; W222-P769 HydrophobicContact CB-CG 4.15Å; W222-P769 HydrophobicContact CD2-CG 4.09Å; W222-P769 HydrophobicContact CG-CB 4.35Å; W222-P769 HydrophobicContact CG-CG 3.65Å
223F96Very high95.1Very high44 Ų4439.3 Ų39.319%0.19320%0.202CC..Hα-helixtrans-64-34.7177.6-66.5-19.2000112.9C219 E220 I221 S226 W227 T766 P769 L770 Y773C219-F223 WeakPolarHBondContact O-CG 3.37Å; C219-F223 PolarHBondContact O-N 3.47Å; E220-F223 PolarHBondContact O-N 2.94Å; I221-F223 PolarHBondContact O-N 2.89Å; F223-S226 PolarHBondContact O-N 2.88Å; F223-W227 VanDerWaalsContact O-CB 3.24Å; F223-W227 WeakPolarHBondContact O-CB 3.37Å; F223-W227 PolarHBondContact O-N 3.01Å; F223-T766 HydrophobicContact CD1-CG2 3.87Å; F223-T766 HydrophobicContact CE1-CG2 3.8Å; F223-P769 HydrophobicContact CE1-CB 4.18Å; F223-P769 HydrophobicContact CE1-CG 4.13Å; F223-L770 HydrophobicContact CE1-CB 4.23Å; F223-L770 HydrophobicContact CE1-CD1 4.48Å; F223-L770 HydrophobicContact CZ-CB 4.12Å; F223-L770 HydrophobicContact CZ-CD1 3.88Å; F223-Y773 AromaticContact CE2-CD1 3.74Å; F223-Y773 HydrophobicContact CE2-CD1 3.74Å; F223-Y773 HydrophobicContact CE2-CD2 4.32Å; F223-Y773 HydrophobicContact CE2-CE1 4.27Å; F223-Y773 AromaticContact CE2-CG 3.77Å; F223-Y773 HydrophobicContact CE2-CG 3.77Å; F223-Y773 HydrophobicContact CZ-CD1 4.46Å; F223-Y773 HydrophobicContact CZ-CG 4.32Å
224A95.7Very high95.1Very high12 Ų1239.1 Ų39.110%0.09920%0.201CC..Hα-helixtrans-64.3-44.8173.400000112.4L194 F198 E220 I221 W222 W227 V228L194-A224 HydrophobicContact CD1-CB 4.46Å; L194-A224 HydrophobicContact CD2-CB 3.64Å; F198-A224 HydrophobicContact CE2-CB 3.33Å; F198-A224 HydrophobicContact CZ-CB 3.59Å; E220-A224 PolarHBondContact O-N 3.5Å; I221-A224 WeakPolarHBondContact O-CB 3.48Å; I221-A224 PolarHBondContact O-N 3.48Å; W222-A224 VanDerWaalsContact C-N 3.29Å; W222-A224 PolarHBondContact O-N 2.85Å; A224-W227 PolarHBondContact O-N 3.49Å; A224-V228 WeakPolarHBondContact O-CG2 3.4Å; A224-V228 PolarHBondContact O-N 3.16Å
225V95.2Very high95.1Very high83 Ų8340 Ų4050%0.50320%0.2SC..Hα-helixtrans-61.4-46.6175.2173.40000110.5I221 W222 W227 V228 L229I221-V225 WeakPolarHBondContact O-CG2 3.31Å; I221-V225 PolarHBondContact O-N 3.24Å; W222-V225 PolarHBondContact O-N 2.7Å; V225-W227 VanDerWaalsContact C-N 3.34Å; V225-W227 PolarHBondContact O-N 3.18Å; V225-V228 PolarHBondContact O-N 2.92Å; V225-L229 HydrophobicContact CG1-CD1 4.01Å; V225-L229 HydrophobicContact CG1-CG 4.39Å; V225-L229 WeakPolarHBondContact O-CB 3.47Å; V225-L229 VanDerWaalsContact O-CG 3.31Å; V225-L229 WeakPolarHBondContact O-CG 3.41Å; V225-L229 PolarHBondContact O-N 2.95Å
226S94.8Very high95Very high24 Ų2439.2 Ų39.217%0.16820%0.197CC..Hα-helixtrans-57.4-45.7176.3-173.90000111.7W222 F223 L229 D230W222-S226 WeakPolarHBondContact O-CB 3.2Å; W222-S226 PolarHBondContact O-N 3.17Å; F223-S226 PolarHBondContact O-N 2.88Å; S226-L229 PolarHBondContact O-N 2.89Å; S226-D230 PolarHBondContact O-N 3Å
227W94.6Very high95Very high30 Ų3039.4 Ų39.411%0.11420%0.198CC..Hα-helixtrans-62.6-43.9176.1171.876.4000112.8I187 R190 L191 L194 F223 A224 V225 L229 D230 Q231I187-W227 HydrophobicContact CG2-CH2 4.38Å; R190-W227 HydrophobicContact CB-CH2 4.27Å; R190-W227 HydrophobicContact CB-CZ2 4.44Å; R190-W227 VanDerWaalsContact CD-CZ2 3.44Å; R190-W227 HydrophobicContact CG-CH2 3.82Å; R190-W227 HydrophobicContact CG-CZ2 3.85Å; R190-W227 VanDerWaalsContact NH2-NE1 3.11Å; L191-W227 HydrophobicContact CD1-CZ3 4.09Å; L194-W227 HydrophobicContact CD1-CE3 4Å; L194-W227 HydrophobicContact CD1-CZ3 4.13Å; F223-W227 VanDerWaalsContact O-CB 3.24Å; F223-W227 WeakPolarHBondContact O-CB 3.37Å; F223-W227 PolarHBondContact O-N 3.01Å; A224-W227 PolarHBondContact O-N 3.49Å; V225-W227 VanDerWaalsContact C-N 3.34Å; V225-W227 PolarHBondContact O-N 3.18Å; W227-L229 VanDerWaalsContact C-N 3.34Å; W227-L229 PolarHBondContact O-N 3.24Å; W227-D230 PolarHBondContact O-N 3.18Å; W227-Q231 HydrophobicContact CD2-CG 4.13Å; W227-Q231 VanDerWaalsContact CE2-CG 3.47Å; W227-Q231 HydrophobicContact CG-CG 4.24Å; W227-Q231 HydrophobicContact CZ2-CB 4.44Å; W227-Q231 HydrophobicContact CZ2-CG 3.85Å; W227-Q231 WeakPolarHBondContact O-CB 3.29Å; W227-Q231 VanDerWaalsContact O-CG 3.29Å; W227-Q231 WeakPolarHBondContact O-CG 3.33Å; W227-Q231 PolarHBondContact O-N 3.11Å
228V95Very high94.9Very high34 Ų3440.1 Ų40.121%0.20620%0.202CC..Hα-helixtrans-61.4-44.9176.9169.60000110.8L191 A224 V225 D230 Q231 F232L191-V228 HydrophobicContact CD1-CG2 3.91Å; A224-V228 WeakPolarHBondContact O-CG2 3.4Å; A224-V228 PolarHBondContact O-N 3.16Å; V225-V228 PolarHBondContact O-N 2.92Å; V228-D230 VanDerWaalsContact C-N 3.28Å; V228-D230 PolarHBondContact O-N 3.03Å; V228-Q231 PolarHBondContact O-N 3.08Å; V228-F232 HydrophobicContact CG1-CD1 4.48Å; V228-F232 HydrophobicContact CG1-CD2 3.74Å; V228-F232 HydrophobicContact CG1-CE1 4.22Å; V228-F232 HydrophobicContact CG1-CE2 3.42Å; V228-F232 VanDerWaalsContact CG1-CE2 3.42Å; V228-F232 HydrophobicContact CG1-CG 4.27Å; V228-F232 HydrophobicContact CG1-CZ 3.69Å; V228-F232 PolarHBondContact O-N 2.88Å; V228-F232 VanDerWaalsContact O-N 3.12Å
229L94.1Very high94.8Very high28 Ų2837.7 Ų37.715%0.14719%0.19CC..Hα-helixtrans-63.1-33.8178.3-72.6176.2000112.7V225 S226 W227 P233 L755 I758 N759V225-L229 HydrophobicContact CG1-CD1 4.01Å; V225-L229 HydrophobicContact CG1-CG 4.39Å; V225-L229 WeakPolarHBondContact O-CB 3.47Å; V225-L229 VanDerWaalsContact O-CG 3.31Å; V225-L229 WeakPolarHBondContact O-CG 3.41Å; V225-L229 PolarHBondContact O-N 2.95Å; S226-L229 PolarHBondContact O-N 2.89Å; W227-L229 VanDerWaalsContact C-N 3.34Å; W227-L229 PolarHBondContact O-N 3.24Å; L229-P233 WeakPolarHBondContact O-CD 3.34Å; L229-P233 VanDerWaalsContact O-CG 3.25Å; L229-P233 WeakPolarHBondContact O-CG 3.35Å; L229-L755 HydrophobicContact CD2-CB 4.41Å; L229-L755 HydrophobicContact CD2-CD2 3.72Å; L229-I758 HydrophobicContact CD1-CG2 4.26Å; L229-N759 HydrophobicContact CB-CB 4.09Å
230D93.5Very high94.6Very high41 Ų4139.2 Ų39.222%0.21920%0.195CC..Hα-helixtrans-78.2-38.4176.3-177.367000113S226 W227 V228 P233 K234 N759S226-D230 PolarHBondContact O-N 3Å; W227-D230 PolarHBondContact O-N 3.18Å; V228-D230 VanDerWaalsContact C-N 3.28Å; V228-D230 PolarHBondContact O-N 3.03Å; D230-P233 WeakPolarHBondContact O-CD 3.14Å; D230-K234 VanDerWaalsContact O-CE 3.25Å; D230-K234 WeakPolarHBondContact O-CE 3.33Å; D230-K234 WeakPolarHBondContact OD2-CE 3.46Å; D230-K234 IonicContact OD2-NZ 2.97Å; D230-K234 PolarHBondContact OD2-NZ 3.45Å; D230-N759 WeakPolarHBondContact CA-ND2 3.41Å; D230-N759 PolarHBondContact OD1-ND2 2.75Å
231Q94.9Very high94.5Very high9 Ų942.7 Ų42.74%0.04221%0.211CC..Hα-helixtrans-78.7-39.8-173.5-76.2-64.1-38.900114.4Y183 W227 V228 K234Y183-Q231 PolarHBondContact OH-OE1 3.38Å; W227-Q231 HydrophobicContact CD2-CG 4.13Å; W227-Q231 VanDerWaalsContact CE2-CG 3.47Å; W227-Q231 HydrophobicContact CG-CG 4.24Å; W227-Q231 HydrophobicContact CZ2-CB 4.44Å; W227-Q231 HydrophobicContact CZ2-CG 3.85Å; W227-Q231 WeakPolarHBondContact O-CB 3.29Å; W227-Q231 VanDerWaalsContact O-CG 3.29Å; W227-Q231 WeakPolarHBondContact O-CG 3.33Å; W227-Q231 PolarHBondContact O-N 3.11Å; V228-Q231 PolarHBondContact O-N 3.08Å; Q231-K234 WeakPolarHBondContact O-CB 3.15Å; Q231-K234 PolarHBondContact O-N 3.47Å
232F95.4Very high94.4Very high53 Ų5341 Ų4123%0.23220%0.204CC..G310 helixtrans-61.7-39.4-176.5-73.9-2.8000113.7L191 V228 K234 W235 L752 L755L191-F232 HydrophobicContact CD2-CZ 4.28Å; V228-F232 HydrophobicContact CG1-CD1 4.48Å; V228-F232 HydrophobicContact CG1-CD2 3.74Å; V228-F232 HydrophobicContact CG1-CE1 4.22Å; V228-F232 HydrophobicContact CG1-CE2 3.42Å; V228-F232 VanDerWaalsContact CG1-CE2 3.42Å; V228-F232 HydrophobicContact CG1-CG 4.27Å; V228-F232 HydrophobicContact CG1-CZ 3.69Å; V228-F232 PolarHBondContact O-N 2.88Å; V228-F232 VanDerWaalsContact O-N 3.12Å; F232-K234 PolarHBondContact O-N 2.73Å; F232-K234 VanDerWaalsContact O-N 3.08Å; F232-W235 WeakPolarHBondContact O-CB 3.25Å; F232-W235 PolarHBondContact O-N 3.03Å; F232-L752 HydrophobicContact CB-CD2 4.01Å; F232-L752 WeakPolarHBondContact O-CD2 3.41Å; F232-L755 HydrophobicContact CD2-CD1 4.45Å
233P94.6Very high94.4Very high8 Ų837.1 Ų37.15%0.05219%0.189CC..G310 helixtrans-57.7-21.5172.1-28.437.2000114.8L229 D230 W235 G529 L530 I533 A756L229-P233 WeakPolarHBondContact O-CD 3.34Å; L229-P233 VanDerWaalsContact O-CG 3.25Å; L229-P233 WeakPolarHBondContact O-CG 3.35Å; D230-P233 WeakPolarHBondContact O-CD 3.14Å; P233-W235 PolarHBondContact O-N 3.39Å; P233-G529 CarbonylContact O-C 3.36Å; P233-L530 HydrophobicContact CB-CD2 3.74Å; P233-I533 VanDerWaalsContact O-CD1 3.28Å; P233-I533 WeakPolarHBondContact O-CD1 3.46Å; P233-A756 HydrophobicContact CB-CB 3.77Å; P233-A756 HydrophobicContact CG-CB 3.63Å
234K94.6Very high94.3Very high9 Ų936.4 Ų36.44%0.03919%0.187CC..G310 helixtrans-85.810.8177.4-51.2172.6-166.3177.60113.2D230 Q231 F232 S236 P237 V525 N526 E813D230-K234 VanDerWaalsContact O-CE 3.25Å; D230-K234 WeakPolarHBondContact O-CE 3.33Å; D230-K234 WeakPolarHBondContact OD2-CE 3.46Å; D230-K234 IonicContact OD2-NZ 2.97Å; D230-K234 PolarHBondContact OD2-NZ 3.45Å; Q231-K234 WeakPolarHBondContact O-CB 3.15Å; Q231-K234 PolarHBondContact O-N 3.47Å; F232-K234 PolarHBondContact O-N 2.73Å; F232-K234 VanDerWaalsContact O-N 3.08Å; K234-S236 VanDerWaalsContact C-N 3.35Å; K234-S236 PolarHBondContact O-N 2.77Å; K234-P237 WeakPolarHBondContact O-CD 3.45Å; K234-V525 HydrophobicContact CD-CG1 4.38Å; K234-N526 WeakPolarHBondContact CE-OD1 3.41Å; K234-E813 VanDerWaalsContact CD-OE1 3.28Å; K234-E813 WeakPolarHBondContact CD-OE1 3.36Å; K234-E813 IonicContact NZ-OE1 2.88Å; K234-E813 PolarHBondContact NZ-OE1 3.45Å
235W93.5Very high94.2Very high81 Ų8142.1 Ų42.131%0.30722%0.216SC..SBendtrans-66-32.2-171.6-171.2-97.4000114.5R184 I188 F232 P233R184-W235 HydrophobicContact CB-CH2 4.18Å; R184-W235 HydrophobicContact CB-CZ2 4.38Å; R184-W235 HydrophobicContact CG-CD2 4.39Å; R184-W235 HydrophobicContact CG-CE3 4.48Å; R184-W235 HydrophobicContact CG-CH2 4.22Å; R184-W235 HydrophobicContact CG-CZ2 4.13Å; R184-W235 HydrophobicContact CG-CZ3 4.41Å; R184-W235 PolarHBondContact NE-O 3.04Å; R184-W235 PolarHBondContact NH2-O 3.4Å; I188-W235 HydrophobicContact CD1-CH2 3.76Å; I188-W235 HydrophobicContact CD1-CZ3 3.99Å; I188-W235 HydrophobicContact CG1-CH2 3.87Å; I188-W235 HydrophobicContact CG1-CZ3 4.3Å; F232-W235 WeakPolarHBondContact O-CB 3.25Å; F232-W235 PolarHBondContact O-N 3.03Å; P233-W235 PolarHBondContact O-N 3.39Å
236S92.4Very high94.1Very high43 Ų4340.9 Ų40.930%0.30120%0.202SC..SBendtrans-133.664.4-173.5-167.70000112.2K234 G532K234-S236 VanDerWaalsContact C-N 3.35Å; K234-S236 PolarHBondContact O-N 2.77Å; S236-G532 WeakPolarHBondContact O-CA 3.44Å
237P94.6Very high94.1Very high7 Ų739.7 Ų39.75%0.04519%0.194CC..  trans-6714217932-36.9000111.1I175 I180 K234 R528 W816I175-P237 HydrophobicContact CD1-CB 3.74Å; I175-P237 HydrophobicContact CD1-CG 3.61Å; I175-P237 HydrophobicContact CG1-CG 4.38Å; I180-P237 HydrophobicContact CD1-CG 3.58Å; I180-P237 HydrophobicContact CG1-CG 4.49Å; K234-P237 WeakPolarHBondContact O-CD 3.45Å; P237-R528 WeakPolarHBondContact CA-O 3.4Å; P237-W816 HydrophobicContact CB-CE3 4.24Å; P237-W816 HydrophobicContact CB-CH2 3.68Å; P237-W816 HydrophobicContact CB-CZ2 4.34Å; P237-W816 HydrophobicContact CB-CZ3 3.62Å; P237-W816 HydrophobicContact CG-CD2 4.4Å; P237-W816 HydrophobicContact CG-CE3 4.21Å; P237-W816 HydrophobicContact CG-CH2 4.03Å; P237-W816 HydrophobicContact CG-CZ2 4.22Å; P237-W816 HydrophobicContact CG-CZ3 4.02Å
238I93.5Very high94Very high22 Ų2239.8 Ų39.811%0.11320%0.199CC..EExtended strand (participates in β ladder)trans-130.4159.6176.863.2170.1000111.3V172 R528 D531V172-I238 HydrophobicContact CG1-CB 3.96Å; V172-I238 HydrophobicContact CG1-CD1 3.94Å; V172-I238 HydrophobicContact CG1-CG2 4.15Å; I238-R528 PolarHBondContact N-O 3.26Å; I238-D531 HydrophobicContact CD1-CB 4.3Å; I238-D531 WeakPolarHBondContact CD1-O 3.46Å; I238-D531 WeakPolarHBondContact CD1-OD2 3.41Å; I238-D531 HydrophobicContact CG1-CB 4.03Å; I238-D531 WeakPolarHBondContact CG1-OD2 3.25Å
239N93.1Very high93.8Very high50 Ų5041.7 Ų41.727%0.26722%0.219SC..EExtended strand (participates in β ladder)trans-114.8160.5167.1-70.3-12.2000109.6V172 I173 R528V172-N239 CarbonylContact C-O 3.52Å; V172-N239 WeakPolarHBondContact CA-O 3.36Å; I173-N239 HydrophobicContact CB-CB 4.11Å; I173-N239 PolarHBondContact N-O 3.08Å; I173-N239 WeakPolarHBondContact O-CB 3.26Å; I173-N239 PolarHBondContact O-N 3.43Å; N239-R528 PolarHBondContact ND2-NH2 3.12Å; N239-R528 PolarHBondContact OD1-NE 2.99Å; N239-R528 PolarHBondContact OD1-NH2 2.9Å
240R93.8Very high93.7Very high38 Ų3842.4 Ų42.414%0.14322%0.219CC..EExtended strand (participates in β ladder)trans-135.3144.7175.8-64.2179.7-176.1-89.5-0.3110.1V171 V172 F487 D531V171-R240 WeakPolarHBondContact O-CA 3.23Å; V172-R240 HydrophobicContact CG2-CG 4.5Å; V172-R240 VanDerWaalsContact CG2-NH1 3.32Å; R240-F487 HydrophobicContact CB-CE1 4.21Å; R240-F487 HydrophobicContact CB-CZ 4.07Å; R240-D531 WeakPolarHBondContact CD-OD2 3.29Å; R240-D531 IonicContact CZ-OD1 3.8Å; R240-D531 IonicContact CZ-OD2 3.15Å; R240-D531 IonicContact NE-OD1 3.82Å; R240-D531 PolarHBondContact NE-OD1 3.34Å; R240-D531 IonicContact NE-OD2 2.84Å; R240-D531 PolarHBondContact NE-OD2 3.23Å; R240-D531 IonicContact NH2-OD1 3.91Å; R240-D531 IonicContact NH2-OD2 3.82Å
241E92.9Very high93.6Very high99 Ų9941.9 Ų41.946%0.46322%0.216SC..EExtended strand (participates in β ladder)trans-122.2147.3169.4-78.2-179.4-170.800109.8S170 V171 I173S170-E241 VanDerWaalsContact CA-O 3.28Å; S170-E241 WeakPolarHBondContact CA-O 3.47Å; S170-E241 WeakPolarHBondContact CB-O 3.5Å; V171-E241 PolarHBondContact N-O 2.93Å; V171-E241 PolarHBondContact O-N 3.43Å; I173-E241 HydrophobicContact CD1-CB 4.15Å; I173-E241 HydrophobicContact CD1-CG 3.53Å; I173-E241 WeakPolarHBondContact CD1-OE1 3.5Å
242T94.8Very high93.4Very high32 Ų3243.9 Ų43.920%0.19623%0.225CC..EExtended strand (participates in β ladder)trans-116.2143.3-179.249.80000109.8E483 C486 F487T242-E483 HydrophobicContact CG2-CB 4.33Å; T242-E483 PolarHBondContact OG1-OE2 3.06Å; T242-C486 HydrophobicContact CG2-CB 4.04Å; T242-F487 HydrophobicContact CG2-CD2 4.17Å; T242-F487 HydrophobicContact CG2-CE1 4.12Å; T242-F487 HydrophobicContact CG2-CE2 3.28Å; T242-F487 HydrophobicContact CG2-CZ 3.26Å
243Y94.7Very high93Very high33 Ų3345.9 Ų45.913%0.12923%0.231CC..  trans-117.983.7179.1-60.2-71.8000110.1L169 V171 D245 R246 L247L169-Y243 PolarHBondContact O-N 3.37Å; V171-Y243 HydrophobicContact CB-CE2 4.2Å; V171-Y243 HydrophobicContact CG2-CE2 3.79Å; Y243-D245 PolarHBondContact O-N 2.91Å; Y243-R246 PolarHBondContact O-N 3.12Å; Y243-L247 PolarHBondContact O-N 3.49Å
244I94.6Very high92.5Very high29 Ų2955 Ų5515%0.14927%0.273CS..Hα-helixtrans-61.1-36.1-177-58.3159000111.2R246 L247 S248 K479 R482 E483I244-R246 VanDerWaalsContact C-N 3.28Å; I244-R246 PolarHBondContact O-N 3.44Å; I244-L247 WeakPolarHBondContact O-CB 3.27Å; I244-L247 PolarHBondContact O-N 3.39Å; I244-L247 VanDerWaalsContact O-N 3.11Å; I244-S248 PolarHBondContact O-N 2.99Å; I244-K479 HydrophobicContact CD1-CB 3.88Å; I244-K479 HydrophobicContact CD1-CG 4.33Å; I244-R482 HydrophobicContact CG1-CB 4.43Å; I244-R482 HydrophobicContact CG2-CB 3.83Å; I244-R482 HydrophobicContact CG2-CG 4.44Å; I244-E483 HydrophobicContact CD1-CG 3.66Å; I244-E483 HydrophobicContact CG1-CG 3.9Å
245D93.9Very high92Very high131 Ų13159 Ų5970%0.70132%0.316SS*.Hα-helixtrans-60.7-40.6-178-30.3-34.3000111.1Y243 S248 A249Y243-D245 PolarHBondContact O-N 2.91Å; D245-S248 PolarHBondContact O-N 3.38Å; D245-A249 WeakPolarHBondContact O-CB 3.41Å; D245-A249 PolarHBondContact O-N 2.91Å
246R93.7Very high91.9Very high57 Ų5760.2 Ų60.222%0.21533%0.325CS..Hα-helixtrans-70.7-36.1176.5-62.9178.8-177.4166.23.9111.9V168 L169 Y243 I244 R250V168-R246 WeakPolarHBondContact O-CD 3.3Å; V168-R246 PolarHBondContact O-NH1 2.98Å; L169-R246 HydrophobicContact CD2-CB 3.91Å; Y243-R246 PolarHBondContact O-N 3.12Å; I244-R246 VanDerWaalsContact C-N 3.28Å; I244-R246 PolarHBondContact O-N 3.44Å; R246-R250 WeakPolarHBondContact O-CB 3.49Å; R246-R250 PolarHBondContact O-N 2.8Å; R246-R250 VanDerWaalsContact O-N 3.08Å
247L94.1Very high91.6Very high0 Ų066.9 Ų66.90%035%0.352CS..Hα-helixtrans-61.2-49.5173.5179.980.5000110.3L169 Y243 I244 R250 F251 L260 R482 M485L169-L247 HydrophobicContact CD1-CD1 3.96Å; L169-L247 HydrophobicContact CD2-CB 4.39Å; Y243-L247 PolarHBondContact O-N 3.49Å; I244-L247 WeakPolarHBondContact O-CB 3.27Å; I244-L247 PolarHBondContact O-N 3.39Å; I244-L247 VanDerWaalsContact O-N 3.11Å; L247-R250 PolarHBondContact O-N 3.2Å; L247-F251 HydrophobicContact CD1-CD2 3.59Å; L247-F251 HydrophobicContact CD1-CE2 3.83Å; L247-F251 HydrophobicContact CG-CD2 4.27Å; L247-F251 PolarHBondContact O-N 3Å; L247-L260 HydrophobicContact CD1-CD2 4.41Å; L247-L260 HydrophobicContact CD2-CD2 4.11Å; L247-L260 HydrophobicContact CG-CD2 4.15Å; L247-R482 HydrophobicContact CD2-CB 4.25Å; L247-R482 WeakPolarHBondContact CD2-O 3.32Å; L247-M485 HydrophobicContact CD1-CB 4.36Å; L247-M485 HydrophobicContact CD2-CB 3.86Å
248S92.3Very high91.5Very high31 Ų3167.7 Ų67.722%0.21736%0.358CS..Hα-helixtrans-63.3-45.6178.5-75.50000111.8I244 D245 R250 F251 E252 R482I244-S248 PolarHBondContact O-N 2.99Å; D245-S248 PolarHBondContact O-N 3.38Å; S248-R250 PolarHBondContact O-N 2.98Å; S248-F251 PolarHBondContact O-N 3.14Å; S248-E252 WeakPolarHBondContact CA-OE2 3.39Å; S248-E252 VanDerWaalsContact CB-OE2 3.31Å; S248-E252 WeakPolarHBondContact CB-OE2 3.36Å; S248-E252 CarbonylContact O-C 3.47Å; S248-E252 WeakPolarHBondContact O-CA 3.48Å; S248-E252 WeakPolarHBondContact O-CB 2.9Å; S248-E252 PolarHBondContact O-N 3.03Å; S248-E252 PolarHBondContact OG-OE2 3.04Å; S248-R482 PolarHBondContact OG-NH1 3.19Å
249A91.4Very high91.5Very high75 Ų7571.8 Ų71.862%0.6238%0.376SS*.Hα-helixtrans-58.2-33.1176.200000113.1D245D245-A249 WeakPolarHBondContact O-CB 3.41Å; D245-A249 PolarHBondContact O-N 2.91Å
250R90.8Very high91.6Very high42 Ų4269.6 Ų69.616%0.15836%0.364CS..Hα-helixtrans-80.7-45.7-179.5-175.8175.6-71.5163.63.3113.3G164 D167 R246 L247 S248G164-R250 PolarHBondContact O-NE 3.33Å; G164-R250 PolarHBondContact O-NH2 3.02Å; D167-R250 PolarHBondContact O-NH1 3.39Å; D167-R250 PolarHBondContact O-NH2 3.17Å; R246-R250 WeakPolarHBondContact O-CB 3.49Å; R246-R250 PolarHBondContact O-N 2.8Å; R246-R250 VanDerWaalsContact O-N 3.08Å; L247-R250 PolarHBondContact O-N 3.2Å; S248-R250 PolarHBondContact O-N 2.98Å
251F92.2Very high91.7Very high31 Ų3168.7 Ų68.714%0.13637%0.365CS..Hα-helixtrans-109.9-8.8-168.4-65.5-74.6000114.8L169 L247 S248 Q259 L260 M489L169-F251 HydrophobicContact CD1-CE2 4.13Å; L247-F251 HydrophobicContact CD1-CD2 3.59Å; L247-F251 HydrophobicContact CD1-CE2 3.83Å; L247-F251 HydrophobicContact CG-CD2 4.27Å; L247-F251 PolarHBondContact O-N 3Å; S248-F251 PolarHBondContact O-N 3.14Å; F251-Q259 HydrophobicContact CB-CB 4.39Å; F251-Q259 HydrophobicContact CD1-CB 4.04Å; F251-Q259 PolarHBondContact O-N 3.37Å; F251-L260 HydrophobicContact CB-CD2 3.87Å; F251-L260 HydrophobicContact CB-CG 4.12Å; F251-L260 HydrophobicContact CG-CD2 4.48Å; F251-M489 HydrophobicContact CD1-CE 3.74Å; F251-M489 HydrophobicContact CD2-CE 4.24Å; F251-M489 HydrophobicContact CE1-CE 3.68Å; F251-M489 HydrophobicContact CE2-CB 4.26Å; F251-M489 HydrophobicContact CE2-CE 4.17Å; F251-M489 HydrophobicContact CG-CE 4.03Å; F251-M489 HydrophobicContact CZ-CB 4.3Å; F251-M489 HydrophobicContact CZ-CE 3.89Å
252E90Very high91.9Very high50 Ų5065.3 Ų65.323%0.23435%0.354CS..  trans-123.763.7176-69.8170.2128.300109.5S248 E254 S258 L260 R482S248-E252 WeakPolarHBondContact CA-OE2 3.39Å; S248-E252 VanDerWaalsContact CB-OE2 3.31Å; S248-E252 WeakPolarHBondContact CB-OE2 3.36Å; S248-E252 CarbonylContact O-C 3.47Å; S248-E252 WeakPolarHBondContact O-CA 3.48Å; S248-E252 WeakPolarHBondContact O-CB 2.9Å; S248-E252 PolarHBondContact O-N 3.03Å; S248-E252 PolarHBondContact OG-OE2 3.04Å; E252-E254 PolarHBondContact O-N 3.37Å; E252-S258 WeakPolarHBondContact CG-OG 3.38Å; E252-L260 HydrophobicContact CG-CD1 3.66Å; E252-L260 HydrophobicContact CG-CG 4.03Å; E252-L260 WeakPolarHBondContact OE1-CD1 3.27Å; E252-R482 VanDerWaalsContact CD-NH1 3.28Å; E252-R482 IonicContact OE1-CZ 3.26Å; E252-R482 IonicContact OE1-NH1 2.6Å; E252-R482 PolarHBondContact OE1-NH1 3.49Å; E252-R482 IonicContact OE1-NH2 3.84Å; E252-R482 PolarHBondContact OE1-NH2 2.8Å; E252-R482 IonicContact OE2-CZ 2.74Å; E252-R482 IonicContact OE2-NH1 2.85Å; E252-R482 PolarHBondContact OE2-NH1 2.57Å; E252-R482 IonicContact OE2-NH2 3.48Å
253R87.7Confident92Very high96 Ų9663.8 Ų63.836%0.36235%0.345SS..  trans-67126.5174.7-63.8176.3-178.9-170.5-4.6109.2E162 G255 E256E162-R253 IonicContact OE2-CZ 3.66Å; E162-R253 IonicContact OE2-NH1 2.74Å; E162-R253 IonicContact OE2-NH2 3.95Å; E162-R253 PolarHBondContact OE2-NH2 3.21Å; R253-G255 PolarHBondContact O-N 3.1Å; R253-E256 HydrophobicContact CB-CB 4.3Å; R253-E256 HydrophobicContact CB-CG 4.43Å; R253-E256 WeakPolarHBondContact CD-OE2 3.17Å; R253-E256 PolarHBondContact O-N 3.3Å; R253-E256 VanDerWaalsContact O-N 3.11Å
254E83.4Confident92.2Very high200 Ų20062.3 Ų62.394%0.93534%0.339SS*.THydrogen-bonded Turntrans-58131.5179.5-73.7-167.9164.800111.1E252 E256E252-E254 PolarHBondContact O-N 3.37Å; E254-E256 VanDerWaalsContact C-N 3.32Å
255G85.6Confident92.4Very high92 Ų9260.9 Ų60.995%0.94833%0.332SS*.THydrogen-bonded Turntrans86.6-9.8-17800000115.2R253R253-G255 PolarHBondContact O-N 3.1Å
256E89.8Confident92.6Very high106 Ų10654.7 Ų54.750%0.49530%0.299SS..SBendtrans-103.9160.8173.3-66.2-177.2-175.300111.7R253 E254R253-E256 HydrophobicContact CB-CB 4.3Å; R253-E256 HydrophobicContact CB-CG 4.43Å; R253-E256 WeakPolarHBondContact CD-OE2 3.17Å; R253-E256 PolarHBondContact O-N 3.3Å; R253-E256 VanDerWaalsContact O-N 3.11Å; E254-E256 VanDerWaalsContact C-N 3.32Å
257Q87.1Confident92.8Very high183 Ų18352 Ų5286%0.85529%0.288SS*.PPolyproline II helixtrans-67.1137.2169.9-72.6-172.9-13.500110.1Q259Q257-Q259 PolarHBondContact O-N 3.05Å
258S91.5Very high92.8Very high25 Ų2552.5 Ų52.518%0.17529%0.292CS..PPolyproline II helixtrans-59.3126.4178.4-175.20000111.1E252 L260 K296E252-S258 WeakPolarHBondContact CG-OG 3.38Å; S258-L260 VanDerWaalsContact C-N 3.27Å; S258-L260 WeakPolarHBondContact OG-CB 3.32Å; S258-L260 PolarHBondContact OG-N 2.84Å; S258-K296 WeakPolarHBondContact O-CE 3.45Å
259Q93.4Very high92.8Very high108 Ų10851.3 Ų51.351%0.50528%0.284SS..  trans-89.66.3175.9-60.3-176.4600112.2F251 Q257F251-Q259 HydrophobicContact CB-CB 4.39Å; F251-Q259 HydrophobicContact CD1-CB 4.04Å; F251-Q259 PolarHBondContact O-N 3.37Å; Q257-Q259 PolarHBondContact O-N 3.05Å
260L95.4Very high92.6Very high3 Ų350.5 Ų50.52%0.01627%0.271CS..PPolyproline II helixtrans-60.9138.9173.7-76.1176.7000110.9L247 F251 E252 S258 Y292 P293 K296 M489L247-L260 HydrophobicContact CD1-CD2 4.41Å; L247-L260 HydrophobicContact CD2-CD2 4.11Å; L247-L260 HydrophobicContact CG-CD2 4.15Å; F251-L260 HydrophobicContact CB-CD2 3.87Å; F251-L260 HydrophobicContact CB-CG 4.12Å; F251-L260 HydrophobicContact CG-CD2 4.48Å; E252-L260 HydrophobicContact CG-CD1 3.66Å; E252-L260 HydrophobicContact CG-CG 4.03Å; E252-L260 WeakPolarHBondContact OE1-CD1 3.27Å; S258-L260 VanDerWaalsContact C-N 3.27Å; S258-L260 WeakPolarHBondContact OG-CB 3.32Å; S258-L260 PolarHBondContact OG-N 2.84Å; L260-Y292 HydrophobicContact CB-CE1 4.41Å; L260-Y292 HydrophobicContact CD1-CD2 4.33Å; L260-Y292 HydrophobicContact CD1-CE2 3.78Å; L260-Y292 HydrophobicContact CD2-CE2 4.5Å; L260-P293 HydrophobicContact CD1-CG 4.07Å; L260-K296 WeakPolarHBondContact O-CD 3.27Å; L260-K296 VanDerWaalsContact O-CE 3.24Å; L260-K296 WeakPolarHBondContact O-CE 3.46Å; L260-M489 HydrophobicContact CD2-SD 4Å
261A96Very high92.4Very high19 Ų1950.5 Ų50.516%0.15727%0.274CS..PPolyproline II helixtrans-68.5146.4178.600000111.4Y292 P464 F465 M485 M489A261-Y292 WeakPolarHBondContact O-CE1 3.41Å; A261-Y292 PolarHBondContact O-OH 3.25Å; A261-P464 HydrophobicContact CB-CG 4.03Å; A261-F465 HydrophobicContact CB-CD2 3.72Å; A261-F465 HydrophobicContact CB-CE2 3.51Å; A261-M485 HydrophobicContact CB-SD 4.48Å; A261-M489 HydrophobicContact CB-CE 4.3Å; A261-M489 HydrophobicContact CB-CG 4.5Å; A261-M489 HydrophobicContact CB-SD 3.94Å
262A97.2Very high92.1Very high29 Ų2949.5 Ų49.524%0.2427%0.271CS..PPolyproline II helixtrans-69.7150173.600000111.7K296 A463 P464A262-K296 CarbonylContact C-O 3.5Å; A262-K296 VanDerWaalsContact CA-O 3.26Å; A262-K296 WeakPolarHBondContact CA-O 3.38Å; A262-K296 HydrophobicContact CB-CD 4.48Å; A262-A463 HydrophobicContact CB-CB 3.85Å; A262-P464 WeakPolarHBondContact O-CD 3.46Å
263V98.3Very high91.8Very high0 Ų052.5 Ų52.50%029%0.288CS..EExtended strand (participates in β ladder)trans-135.9120.9-179.9-1740000109.6F265 Y292 K296 S298 F465 L467 V481 M485V263-F265 HydrophobicContact CB-CE2 4.49Å; V263-F265 HydrophobicContact CG1-CD2 4.16Å; V263-F265 HydrophobicContact CG1-CE2 3.86Å; V263-Y292 HydrophobicContact CG2-CE1 4.32Å; V263-K296 PolarHBondContact N-O 3.45Å; V263-S298 PolarHBondContact O-N 3.03Å; V263-F465 WeakPolarHBondContact CA-O 3.32Å; V263-F465 HydrophobicContact CG2-CB 4.36Å; V263-L467 HydrophobicContact CG1-CB 4.08Å; V263-V481 HydrophobicContact CB-CG1 4.47Å; V263-V481 HydrophobicContact CG2-CG1 3.84Å; V263-M485 HydrophobicContact CG2-CE 3.69Å; V263-M485 HydrophobicContact CG2-SD 4.4Å
264D98.5Very high91.5Very high1 Ų152.3 Ų52.31%0.00529%0.289CS..EExtended strand (participates in β ladder)trans-93.2126.7170.6-68.5-30.1000109.7F266 S298 Y300 S457 T461 A463 F465 I466 L467 R547D264-F266 HydrophobicContact CB-CE1 3.94Å; D264-S298 CarbonylContact C-O 3.56Å; D264-S298 WeakPolarHBondContact CA-O 3.41Å; D264-S298 WeakPolarHBondContact OD1-CB 3.46Å; D264-Y300 HydrophobicContact CB-CD2 4.2Å; D264-Y300 HydrophobicContact CB-CE2 4.17Å; D264-S457 WeakPolarHBondContact OD2-CB 3.48Å; D264-S457 PolarHBondContact OD2-OG 3.49Å; D264-T461 VanDerWaalsContact CG-OG1 3.31Å; D264-T461 PolarHBondContact OD1-OG1 3.44Å; D264-T461 PolarHBondContact OD2-OG1 3.35Å; D264-T461 VanDerWaalsContact OD2-OG1 3.06Å; D264-A463 HydrophobicContact CB-CB 4.08Å; D264-A463 VanDerWaalsContact OD2-CB 3.31Å; D264-A463 WeakPolarHBondContact OD2-CB 3.47Å; D264-A463 PolarHBondContact OD2-N 2.98Å; D264-F465 PolarHBondContact N-O 3.28Å; D264-I466 CarbonylContact O-C 3.6Å; D264-I466 VanDerWaalsContact O-CA 3.31Å; D264-I466 WeakPolarHBondContact O-CA 3.36Å; D264-L467 PolarHBondContact O-N 3.19Å; D264-R547 IonicContact OD2-NH2 3.48Å; D264-R547 PolarHBondContact OD2-NH2 3.18Å
265F98.6Very high91.4Very high0 Ų044.5 Ų44.50%025%0.253CS..EExtended strand (participates in β ladder)trans-93.9129.2174.3-83.9-104.6000110.6V263 I287 L290 V297 S298 Y300 L467 L469 V481V263-F265 HydrophobicContact CB-CE2 4.49Å; V263-F265 HydrophobicContact CG1-CD2 4.16Å; V263-F265 HydrophobicContact CG1-CE2 3.86Å; F265-I287 HydrophobicContact CB-CD1 4.31Å; F265-I287 HydrophobicContact CB-CG2 3.75Å; F265-I287 HydrophobicContact CD1-CB 4.31Å; F265-I287 HydrophobicContact CD1-CD1 3.87Å; F265-I287 HydrophobicContact CD1-CG1 3.74Å; F265-I287 HydrophobicContact CD1-CG2 3.61Å; F265-I287 HydrophobicContact CD2-CG2 3.88Å; F265-I287 HydrophobicContact CE1-CG1 4.13Å; F265-I287 HydrophobicContact CE1-CG2 4.13Å; F265-I287 HydrophobicContact CE2-CG2 4.4Å; F265-I287 HydrophobicContact CG-CD1 4.43Å; F265-I287 HydrophobicContact CG-CG1 4.42Å; F265-I287 HydrophobicContact CG-CG2 3.46Å; F265-I287 VanDerWaalsContact CG-CG2 3.46Å; F265-L290 HydrophobicContact CD2-CD1 4.36Å; F265-L290 HydrophobicContact CE1-CD1 3.79Å; F265-L290 HydrophobicContact CE2-CD1 3.46Å; F265-L290 VanDerWaalsContact CE2-CD1 3.46Å; F265-L290 HydrophobicContact CZ-CD1 3.12Å; F265-L290 HydrophobicContact CZ-CG 4.5Å; F265-V297 HydrophobicContact CD2-CG1 4Å; F265-V297 HydrophobicContact CE2-CG1 4.14Å; F265-S298 PolarHBondContact N-O 3.36Å; F265-Y300 PolarHBondContact O-N 3.47Å; F265-L467 CarbonylContact C-O 3.59Å; F265-L467 WeakPolarHBondContact CA-O 3.18Å; F265-L467 HydrophobicContact CD1-CB 4.09Å; F265-L467 HydrophobicContact CD1-CD1 4.34Å; F265-L467 HydrophobicContact CD1-CD2 3.79Å; F265-L467 HydrophobicContact CD1-CG 4.26Å; F265-L467 HydrophobicContact CD2-CB 4.47Å; F265-L467 HydrophobicContact CE1-CB 4.07Å; F265-L467 HydrophobicContact CE1-CD1 3.52Å; F265-L467 HydrophobicContact CE1-CD2 3.61Å; F265-L467 HydrophobicContact CE1-CG 3.9Å; F265-L467 HydrophobicContact CE2-CB 4.42Å; F265-L467 HydrophobicContact CE2-CD1 4.37Å; F265-L467 HydrophobicContact CG-CB 4.3Å; F265-L467 HydrophobicContact CZ-CB 4.21Å; F265-L467 HydrophobicContact CZ-CD1 3.5Å; F265-L467 HydrophobicContact CZ-CD2 4.41Å; F265-L467 HydrophobicContact CZ-CG 4.23Å; F265-L469 HydrophobicContact CD1-CD1 4.02Å; F265-L469 HydrophobicContact CE1-CD1 4.13Å; F265-V481 HydrophobicContact CE2-CG2 3.9Å; F265-V481 HydrophobicContact CZ-CG2 3.43Å; F265-V481 VanDerWaalsContact CZ-CG2 3.43Å
266F98.5Very high91.5Very high0 Ų042 Ų420%022%0.22CC..EExtended strand (participates in β ladder)trans-107.7129.1175.7-68.5-1.6000109.6D264 Y300 E450 L453 V454 I466 L467 L469D264-F266 HydrophobicContact CB-CE1 3.94Å; F266-Y300 HydrophobicContact CD1-CD2 4.36Å; F266-Y300 HydrophobicContact CD1-CG 4.27Å; F266-Y300 HydrophobicContact CE1-CD2 4.1Å; F266-Y300 HydrophobicContact CE1-CG 4.11Å; F266-E450 WeakPolarHBondContact CD2-OE2 3.46Å; F266-L453 HydrophobicContact CB-CD1 3.73Å; F266-L453 HydrophobicContact CD1-CB 4.22Å; F266-L453 HydrophobicContact CD1-CD1 4.11Å; F266-L453 HydrophobicContact CD2-CB 3.64Å; F266-L453 HydrophobicContact CD2-CD1 3.89Å; F266-L453 HydrophobicContact CD2-CG 4.45Å; F266-L453 HydrophobicContact CE1-CB 4.07Å; F266-L453 HydrophobicContact CE2-CB 3.46Å; F266-L453 VanDerWaalsContact CE2-CB 3.46Å; F266-L453 HydrophobicContact CG-CB 4.04Å; F266-L453 HydrophobicContact CG-CD1 3.65Å; F266-L453 HydrophobicContact CG-CG 4.48Å; F266-L453 VanDerWaalsContact CZ-C 3.42Å; F266-L453 HydrophobicContact CZ-CB 3.7Å; F266-L453 WeakPolarHBondContact CZ-O 3.5Å; F266-V454 HydrophobicContact CE2-CG2 3.85Å; F266-I466 HydrophobicContact CD1-CG2 4.11Å; F266-I466 HydrophobicContact CD2-CG2 3.49Å; F266-I466 VanDerWaalsContact CD2-CG2 3.49Å; F266-I466 HydrophobicContact CE1-CG2 4.05Å; F266-I466 HydrophobicContact CE2-CD1 4.1Å; F266-I466 HydrophobicContact CE2-CG2 3.41Å; F266-I466 VanDerWaalsContact CE2-CG2 3.41Å; F266-I466 HydrophobicContact CG-CG2 3.86Å; F266-I466 HydrophobicContact CZ-CD1 4.09Å; F266-I466 HydrophobicContact CZ-CG1 4.47Å; F266-I466 HydrophobicContact CZ-CG2 3.7Å; F266-L467 PolarHBondContact N-O 2.92Å; F266-L469 PolarHBondContact O-N 3.22Å
267V97.7Very high91.6Very high0 Ų037.3 Ų37.30%020%0.199CC..EExtended strand (participates in β ladder)trans-128115.4174.1-177.90000108.2T280 T283 I287 Y300 V301 S302 L469 C471V267-T280 HydrophobicContact CG1-CG2 4.47Å; V267-T283 HydrophobicContact CG1-CG2 4.4Å; V267-T283 HydrophobicContact CG2-CG2 4.27Å; V267-I287 HydrophobicContact CG2-CD1 3.46Å; V267-I287 VanDerWaalsContact CG2-CD1 3.46Å; V267-Y300 PolarHBondContact N-O 2.7Å; V267-V301 HydrophobicContact CB-CG2 4.34Å; V267-V301 CarbonylContact O-C 3.52Å; V267-V301 VanDerWaalsContact O-CA 3.29Å; V267-V301 WeakPolarHBondContact O-CA 3.42Å; V267-S302 PolarHBondContact O-N 2.98Å; V267-L469 WeakPolarHBondContact CA-O 3.28Å; V267-C471 HydrophobicContact CG1-CB 4.19Å
268S94Very high92Very high12 Ų1230.1 Ų30.18%0.08417%0.166CC..EExtended strand (participates in β ladder)trans-100.3131.9177.767.10000111.3K446S268-K446 WeakPolarHBondContact OG-CE 3.47Å
269T92.8Very high92.1Very high5 Ų530.7 Ų30.73%0.03117%0.167CC..EExtended strand (participates in β ladder)trans-124.9146.3170.9-176.60000109.7E275 V301 S302 D303 D304T269-E275 PolarHBondContact OG1-OE2 3.45Å; T269-V301 HydrophobicContact CG2-CG1 4.49Å; T269-S302 WeakPolarHBondContact CG2-O 3.12Å; T269-S302 PolarHBondContact N-O 3.22Å; T269-D303 HydrophobicContact CG2-CB 3.97Å; T269-D304 PolarHBondContact O-N 3.23Å
270V86.7Confident92.1Very high59 Ų5925.9 Ų25.936%0.35815%0.145SC..SBendtrans-110.8-45.2-175.9-179.50000112.4E275 G305 V860V270-E275 PolarHBondContact N-OE2 3.31Å; V270-G305 WeakPolarHBondContact O-CA 3.44Å; V270-G305 PolarHBondContact O-N 3.03Å; V270-V860 HydrophobicContact CB-CG2 4.49Å; V270-V860 HydrophobicContact CG1-CG2 4.33Å
271D85.7Confident92.2Very high42 Ų4225.8 Ų25.823%0.22515%0.145CC..  trans-153.6113.1-173.5179.2-6.8000109.5L273 K274 E275D271-L273 PolarHBondContact O-N 3.48Å; D271-L273 VanDerWaalsContact O-N 3.11Å; D271-L273 WeakPolarHBondContact OD1-CB 3.21Å; D271-L273 PolarHBondContact OD1-N 2.92Å; D271-K274 HydrophobicContact CB-CB 4.39Å; D271-K274 HydrophobicContact CB-CD 4.34Å; D271-K274 HydrophobicContact CB-CG 4.39Å; D271-K274 PolarHBondContact O-N 3.47Å; D271-K274 WeakPolarHBondContact OD2-CE 3.28Å; D271-K274 IonicContact OD2-NZ 3.12Å; D271-E275 PolarHBondContact O-N 3.28Å
272P87.4Confident92.3Very high10 Ų1025 Ų257%0.06514%0.138CC..THydrogen-bonded Turntrans-66-14.1-176.428.5-36.3000113.7E275 P277 A307 L309P272-E275 CarbonylContact C-O 3.49Å; P272-E275 WeakPolarHBondContact CA-O 3.36Å; P272-P277 HydrophobicContact CB-CG 3.81Å; P272-P277 WeakPolarHBondContact O-CD 3.48Å; P272-A307 HydrophobicContact CG-CB 3.68Å; P272-L309 HydrophobicContact CB-CB 4.41Å; P272-L309 HydrophobicContact CB-CD2 3.69Å; P272-L309 HydrophobicContact CB-CG 4.01Å; P272-L309 HydrophobicContact CG-CB 4.12Å; P272-L309 HydrophobicContact CG-CD2 3.94Å; P272-L309 HydrophobicContact CG-CG 4.23Å
273L82.4Confident92.3Very high112 Ų11223.7 Ų23.759%0.58613%0.127SC*.THydrogen-bonded Turntrans-80.8-23.4174-62.7178.6000112.7D271D271-L273 PolarHBondContact O-N 3.48Å; D271-L273 VanDerWaalsContact O-N 3.11Å; D271-L273 WeakPolarHBondContact OD1-CB 3.21Å; D271-L273 PolarHBondContact OD1-N 2.92Å
274K80.8Confident92.2Very high92 Ų9223.7 Ų23.740%0.413%0.127SC..THydrogen-bonded Turntrans-97.1-32176.8-64.3179.2-169.1162.60112.3D271 P276 V860D271-K274 HydrophobicContact CB-CB 4.39Å; D271-K274 HydrophobicContact CB-CD 4.34Å; D271-K274 HydrophobicContact CB-CG 4.39Å; D271-K274 PolarHBondContact O-N 3.47Å; D271-K274 WeakPolarHBondContact OD2-CE 3.28Å; D271-K274 IonicContact OD2-NZ 3.12Å; K274-P276 WeakPolarHBondContact O-CD 3.39Å; K274-V860 HydrophobicContact CB-CG1 4.46Å; K274-V860 HydrophobicContact CD-CB 4.01Å
275E82.7Confident92.2Very high37 Ų3723.6 Ų23.617%0.17313%0.126CC..SBendtrans-11791179.9-66.6167.117600107.2T269 V270 D271 P272 V860T269-E275 PolarHBondContact OG1-OE2 3.45Å; V270-E275 PolarHBondContact N-OE2 3.31Å; D271-E275 PolarHBondContact O-N 3.28Å; P272-E275 CarbonylContact C-O 3.49Å; P272-E275 WeakPolarHBondContact CA-O 3.36Å; E275-V860 HydrophobicContact CG-CG1 4.45Å; E275-V860 WeakPolarHBondContact OE1-CG1 3.36Å
276P87.3Confident92.2Very high38 Ų3823.6 Ų23.625%0.24713%0.126CC..  trans-50.3131.4-172.8-28.131.1000112.2K274 L278 I279 T864K274-P276 WeakPolarHBondContact O-CD 3.39Å; P276-L278 PolarHBondContact O-N 3.21Å; P276-I279 HydrophobicContact CB-CD1 4.26Å; P276-I279 HydrophobicContact CB-CG1 4.25Å; P276-I279 HydrophobicContact CG-CD1 4.03Å; P276-I279 WeakPolarHBondContact O-CB 3.44Å; P276-I279 PolarHBondContact O-N 3.3Å; P276-T864 HydrophobicContact CG-CG2 3.82Å
277P92.5Very high92.2Very high8 Ų823.6 Ų23.65%0.05213%0.126CC..Hα-helixtrans-59.5-27.5-175.3-24.433.3000113.4P272 I279 T280 A281 L309 S313 V379P272-P277 HydrophobicContact CB-CG 3.81Å; P272-P277 WeakPolarHBondContact O-CD 3.48Å; P277-I279 VanDerWaalsContact C-N 3.28Å; P277-I279 PolarHBondContact O-N 3.32Å; P277-T280 PolarHBondContact O-N 2.82Å; P277-A281 VanDerWaalsContact O-CB 3.31Å; P277-A281 WeakPolarHBondContact O-CB 3.4Å; P277-A281 PolarHBondContact O-N 3.14Å; P277-L309 HydrophobicContact CG-CD1 4.16Å; P277-L309 HydrophobicContact CG-CD2 3.84Å; P277-L309 HydrophobicContact CG-CG 3.79Å; P277-S313 VanDerWaalsContact CB-OG 3.23Å; P277-S313 WeakPolarHBondContact CB-OG 3.39Å; P277-V379 HydrophobicContact CG-CG2 4.02Å
278L94.7Very high92.2Very high32 Ų3223.6 Ų23.617%0.16813%0.126CC..Hα-helixtrans-61.9-35.1175.4-173.763.9000112.6P276 N282 F371 K372 M375P276-L278 PolarHBondContact O-N 3.21Å; L278-N282 WeakPolarHBondContact O-CB 3.34Å; L278-N282 PolarHBondContact O-N 2.85Å; L278-N282 PolarHBondContact O-ND2 3.02Å; L278-F371 HydrophobicContact CD1-CE1 3.88Å; L278-K372 HydrophobicContact CD1-CG 4.2Å; L278-K372 HydrophobicContact CD2-CG 4.33Å; L278-M375 HydrophobicContact CD1-CG 4.46Å
279I93.1Very high92.3Very high37 Ų3723 Ų2319%0.1912%0.122CC..Hα-helixtrans-68.4-49.3176.9-62.1179.1000109.2P276 P277 A281 N282 T283 D472P276-I279 HydrophobicContact CB-CD1 4.26Å; P276-I279 HydrophobicContact CB-CG1 4.25Å; P276-I279 HydrophobicContact CG-CD1 4.03Å; P276-I279 WeakPolarHBondContact O-CB 3.44Å; P276-I279 PolarHBondContact O-N 3.3Å; P277-I279 VanDerWaalsContact C-N 3.28Å; P277-I279 PolarHBondContact O-N 3.32Å; I279-A281 VanDerWaalsContact C-N 3.29Å; I279-A281 PolarHBondContact O-N 2.93Å; I279-N282 WeakPolarHBondContact O-CB 3.35Å; I279-N282 PolarHBondContact O-N 3.37Å; I279-N282 VanDerWaalsContact O-N 3.12Å; I279-T283 PolarHBondContact O-N 3.49Å; I279-T283 PolarHBondContact O-OG1 3.39Å; I279-D472 HydrophobicContact CG2-CB 4.25Å
280T95Very high92.5Very high8 Ų823 Ų235%0.04912%0.122CC..Hα-helixtrans-57.2-43.7175.5-53.80000111.4V267 P277 N282 T283 V284 C471V267-T280 HydrophobicContact CG1-CG2 4.47Å; P277-T280 PolarHBondContact O-N 2.82Å; T280-N282 PolarHBondContact O-N 2.92Å; T280-T283 WeakPolarHBondContact O-CB 3.07Å; T280-T283 PolarHBondContact O-N 2.79Å; T280-V284 WeakPolarHBondContact O-CG2 3.24Å; T280-V284 PolarHBondContact O-N 3.41Å; T280-C471 HydrophobicContact CG2-CB 4.38Å
281A96.9Very high93Very high1 Ų122.5 Ų22.51%0.00812%0.117CC..Hα-helixtrans-59.9-43.517600000112.3P277 I279 T283 V284 L285 T317 F371P277-A281 VanDerWaalsContact O-CB 3.31Å; P277-A281 WeakPolarHBondContact O-CB 3.4Å; P277-A281 PolarHBondContact O-N 3.14Å; I279-A281 VanDerWaalsContact C-N 3.29Å; I279-A281 PolarHBondContact O-N 2.93Å; A281-T283 VanDerWaalsContact C-N 3.35Å; A281-T283 PolarHBondContact O-N 2.81Å; A281-V284 PolarHBondContact O-N 3.28Å; A281-L285 WeakPolarHBondContact O-CB 3.38Å; A281-L285 WeakPolarHBondContact O-CD1 3.48Å; A281-L285 WeakPolarHBondContact O-CG 3.46Å; A281-L285 PolarHBondContact O-N 3.17Å; A281-T317 HydrophobicContact CB-CG2 4.03Å; A281-T317 WeakPolarHBondContact CB-OG1 3.29Å; A281-F371 HydrophobicContact CB-CZ 4.04Å
282N96.8Very high93.5Very high2 Ų220.9 Ų20.91%0.01111%0.108CC..Hα-helixtrans-63-40.7176.6-89.9-85.6000112.4L278 I279 T280 S286 A337 P338 E339 Y368L278-N282 WeakPolarHBondContact O-CB 3.34Å; L278-N282 PolarHBondContact O-N 2.85Å; L278-N282 PolarHBondContact O-ND2 3.02Å; I279-N282 WeakPolarHBondContact O-CB 3.35Å; I279-N282 PolarHBondContact O-N 3.37Å; I279-N282 VanDerWaalsContact O-N 3.12Å; T280-N282 PolarHBondContact O-N 2.92Å; N282-S286 WeakPolarHBondContact O-CB 3.37Å; N282-S286 PolarHBondContact O-N 3.48Å; N282-A337 HydrophobicContact CB-CB 4.31Å; N282-P338 WeakPolarHBondContact OD1-CD 3.48Å; N282-P338 VanDerWaalsContact OD1-CG 3.29Å; N282-P338 WeakPolarHBondContact OD1-CG 3.39Å; N282-E339 VanDerWaalsContact OD1-CB 3.24Å; N282-E339 WeakPolarHBondContact OD1-CB 3.21Å; N282-E339 PolarHBondContact OD1-N 3.22Å; N282-Y368 PolarHBondContact ND2-OH 3.05Å
283T97.1Very high93.9Very high1 Ų121.5 Ų21.51%0.00611%0.112CC..Hα-helixtrans-61.6-49.8173.7-64.90000110.8V267 I279 T280 A281 L285 S286 I287 C471 H473V267-T283 HydrophobicContact CG1-CG2 4.4Å; V267-T283 HydrophobicContact CG2-CG2 4.27Å; I279-T283 PolarHBondContact O-N 3.49Å; I279-T283 PolarHBondContact O-OG1 3.39Å; T280-T283 WeakPolarHBondContact O-CB 3.07Å; T280-T283 PolarHBondContact O-N 2.79Å; A281-T283 VanDerWaalsContact C-N 3.35Å; A281-T283 PolarHBondContact O-N 2.81Å; T283-L285 PolarHBondContact O-N 2.72Å; T283-S286 WeakPolarHBondContact O-CB 3.46Å; T283-S286 PolarHBondContact O-N 2.96Å; T283-S286 VanDerWaalsContact O-N 3.16Å; T283-S286 PolarHBondContact O-OG 3.33Å; T283-I287 HydrophobicContact CG2-CD1 4.12Å; T283-I287 WeakPolarHBondContact O-CG1 3.02Å; T283-I287 PolarHBondContact O-N 3.27Å; T283-I287 VanDerWaalsContact O-N 3.11Å; T283-C471 WeakPolarHBondContact CB-O 3.25Å; T283-C471 PolarHBondContact OG1-O 2.84Å; T283-H473 WeakPolarHBondContact CG2-O 3.28Å
284V98Very high94.4Very high0 Ų018.2 Ų18.20%010%0.097CC..Hα-helixtrans-59.4-46.9177.3172.20000111.6T280 A281 S286 I287 L288 V301 T317 L430T280-V284 WeakPolarHBondContact O-CG2 3.24Å; T280-V284 PolarHBondContact O-N 3.41Å; A281-V284 PolarHBondContact O-N 3.28Å; V284-S286 VanDerWaalsContact C-N 3.27Å; V284-S286 PolarHBondContact O-N 3.3Å; V284-I287 WeakPolarHBondContact O-CB 3.28Å; V284-I287 PolarHBondContact O-N 2.95Å; V284-I287 VanDerWaalsContact O-N 3.1Å; V284-L288 HydrophobicContact CG1-CD1 3.9Å; V284-L288 HydrophobicContact CG1-CG 4.26Å; V284-L288 WeakPolarHBondContact O-CG 3.25Å; V284-L288 PolarHBondContact O-N 3.43Å; V284-V301 HydrophobicContact CG2-CG2 3.67Å; V284-T317 HydrophobicContact CB-CG2 4.38Å; V284-T317 HydrophobicContact CG1-CG2 4.16Å; V284-L430 HydrophobicContact CG1-CD1 3.76Å; V284-L430 HydrophobicContact CG1-CD2 4.04Å
285L98.3Very high94.9Very high0 Ų018.3 Ų18.30%010%0.101CC..Hα-helixtrans-60-37.9177.4-72164.3000112.1A281 T283 I287 L288 A289 T317 F320 A321 P338 F371A281-L285 WeakPolarHBondContact O-CB 3.38Å; A281-L285 WeakPolarHBondContact O-CD1 3.48Å; A281-L285 WeakPolarHBondContact O-CG 3.46Å; A281-L285 PolarHBondContact O-N 3.17Å; T283-L285 PolarHBondContact O-N 2.72Å; L285-I287 VanDerWaalsContact C-N 3.32Å; L285-I287 PolarHBondContact O-N 3.28Å; L285-L288 PolarHBondContact O-N 3.16Å; L285-A289 VanDerWaalsContact O-CB 3.31Å; L285-A289 WeakPolarHBondContact O-CB 3.46Å; L285-A289 PolarHBondContact O-N 2.97Å; L285-A289 VanDerWaalsContact O-N 3.12Å; L285-T317 HydrophobicContact CD1-CG2 4.24Å; L285-T317 HydrophobicContact CD2-CG2 4Å; L285-T317 HydrophobicContact CG-CG2 3.75Å; L285-F320 HydrophobicContact CD1-CD1 3.69Å; L285-F320 HydrophobicContact CD1-CE1 4.05Å; L285-F320 HydrophobicContact CD2-CD1 3.89Å; L285-F320 HydrophobicContact CG-CD1 4.47Å; L285-A321 HydrophobicContact CD2-CB 3.68Å; L285-P338 HydrophobicContact CD1-CG 3.85Å; L285-F371 HydrophobicContact CD1-CE1 4.46Å
286S97.9Very high95.5Very high0 Ų018.8 Ų18.80%010%0.103CC..Hα-helixtrans-66-34.7177.179.50000112.7N282 T283 V284 V475N282-S286 WeakPolarHBondContact O-CB 3.37Å; N282-S286 PolarHBondContact O-N 3.48Å; T283-S286 WeakPolarHBondContact O-CB 3.46Å; T283-S286 PolarHBondContact O-N 2.96Å; T283-S286 VanDerWaalsContact O-N 3.16Å; T283-S286 PolarHBondContact O-OG 3.33Å; V284-S286 VanDerWaalsContact C-N 3.27Å; V284-S286 PolarHBondContact O-N 3.3Å; S286-V475 PolarHBondContact OG-N 2.83Å
287I98.1Very high95.9Very high0 Ų017.1 Ų17.10%09%0.092CC..Hα-helixtrans-70.8-49.1175.8-65.2164.5000110.1F265 V267 T283 V284 L285 A289 L290 C299 L469 V475F265-I287 HydrophobicContact CB-CD1 4.31Å; F265-I287 HydrophobicContact CB-CG2 3.75Å; F265-I287 HydrophobicContact CD1-CB 4.31Å; F265-I287 HydrophobicContact CD1-CD1 3.87Å; F265-I287 HydrophobicContact CD1-CG1 3.74Å; F265-I287 HydrophobicContact CD1-CG2 3.61Å; F265-I287 HydrophobicContact CD2-CG2 3.88Å; F265-I287 HydrophobicContact CE1-CG1 4.13Å; F265-I287 HydrophobicContact CE1-CG2 4.13Å; F265-I287 HydrophobicContact CE2-CG2 4.4Å; F265-I287 HydrophobicContact CG-CD1 4.43Å; F265-I287 HydrophobicContact CG-CG1 4.42Å; F265-I287 HydrophobicContact CG-CG2 3.46Å; F265-I287 VanDerWaalsContact CG-CG2 3.46Å; V267-I287 HydrophobicContact CG2-CD1 3.46Å; V267-I287 VanDerWaalsContact CG2-CD1 3.46Å; T283-I287 HydrophobicContact CG2-CD1 4.12Å; T283-I287 WeakPolarHBondContact O-CG1 3.02Å; T283-I287 PolarHBondContact O-N 3.27Å; T283-I287 VanDerWaalsContact O-N 3.11Å; V284-I287 WeakPolarHBondContact O-CB 3.28Å; V284-I287 PolarHBondContact O-N 2.95Å; V284-I287 VanDerWaalsContact O-N 3.1Å; L285-I287 VanDerWaalsContact C-N 3.32Å; L285-I287 PolarHBondContact O-N 3.28Å; I287-A289 PolarHBondContact O-N 2.7Å; I287-A289 VanDerWaalsContact O-N 3.16Å; I287-L290 HydrophobicContact CG2-CD1 4.16Å; I287-L290 VanDerWaalsContact O-CB 3.29Å; I287-L290 WeakPolarHBondContact O-CB 3.47Å; I287-L290 WeakPolarHBondContact O-CD1 3.49Å; I287-L290 WeakPolarHBondContact O-CG 3.31Å; I287-L290 PolarHBondContact O-N 2.87Å; I287-L290 VanDerWaalsContact O-N 3.11Å; I287-C299 HydrophobicContact CG2-CB 4.01Å; I287-L469 HydrophobicContact CD1-CD1 4.01Å; I287-L469 HydrophobicContact CG1-CD1 4.18Å; I287-V475 HydrophobicContact CG1-CG2 3.89Å
288L97.7Very high96.2Very high0 Ų017.3 Ų17.30%09%0.094CC..Hα-helixtrans-63.2-24.2-179.3-63.6176000112.9V284 L285 C299 A321 V325 L414 P428 L430V284-L288 HydrophobicContact CG1-CD1 3.9Å; V284-L288 HydrophobicContact CG1-CG 4.26Å; V284-L288 WeakPolarHBondContact O-CG 3.25Å; V284-L288 PolarHBondContact O-N 3.43Å; L285-L288 PolarHBondContact O-N 3.16Å; L288-C299 HydrophobicContact CD2-CB 4.09Å; L288-A321 HydrophobicContact CD1-CB 3.85Å; L288-V325 HydrophobicContact CB-CG2 4.03Å; L288-L414 HydrophobicContact CD1-CD1 3.99Å; L288-P428 HydrophobicContact CD2-CB 3.86Å; L288-L430 HydrophobicContact CD2-CB 4.49Å
289A97.5Very high96.4Very high0 Ų015.8 Ų15.80%09%0.086CC..THydrogen-bonded Turntrans-94.515.1178.300000114.3L285 I287 V325 C328 R336L285-A289 VanDerWaalsContact O-CB 3.31Å; L285-A289 WeakPolarHBondContact O-CB 3.46Å; L285-A289 PolarHBondContact O-N 2.97Å; L285-A289 VanDerWaalsContact O-N 3.12Å; I287-A289 PolarHBondContact O-N 2.7Å; I287-A289 VanDerWaalsContact O-N 3.16Å; A289-V325 HydrophobicContact CB-CG2 4.26Å; A289-C328 HydrophobicContact CB-CB 3.91Å; A289-R336 HydrophobicContact CB-CB 4.25Å
290L96.7Very high96.6Very high4 Ų414 Ų142%0.0218%0.077CC..  trans-59150175.8-83.3164000113F265 I287 Y292 K329 V475 V481F265-L290 HydrophobicContact CD2-CD1 4.36Å; F265-L290 HydrophobicContact CE1-CD1 3.79Å; F265-L290 HydrophobicContact CE2-CD1 3.46Å; F265-L290 VanDerWaalsContact CE2-CD1 3.46Å; F265-L290 HydrophobicContact CZ-CD1 3.12Å; F265-L290 HydrophobicContact CZ-CG 4.5Å; I287-L290 HydrophobicContact CG2-CD1 4.16Å; I287-L290 VanDerWaalsContact O-CB 3.29Å; I287-L290 WeakPolarHBondContact O-CB 3.47Å; I287-L290 WeakPolarHBondContact O-CD1 3.49Å; I287-L290 WeakPolarHBondContact O-CG 3.31Å; I287-L290 PolarHBondContact O-N 2.87Å; I287-L290 VanDerWaalsContact O-N 3.11Å; L290-Y292 VanDerWaalsContact C-N 3.3Å; L290-Y292 PolarHBondContact O-N 3.34Å; L290-Y292 VanDerWaalsContact O-N 3.11Å; L290-K329 WeakPolarHBondContact O-CE 3.33Å; L290-V475 HydrophobicContact CD2-CB 4.45Å; L290-V475 HydrophobicContact CD2-CG1 3.6Å; L290-V475 HydrophobicContact CD2-CG2 4.3Å; L290-V475 HydrophobicContact CG-CG1 4.48Å; L290-V475 HydrophobicContact CG-CG2 4.49Å; L290-V481 HydrophobicContact CD1-CG2 3.95Å; L290-V481 HydrophobicContact CD2-CG2 4.03Å
291D96.2Very high96.8Very high49 Ų4913.7 Ų13.726%0.2628%0.075SC..SBendtrans-8678171.5-172.8-18.7000109.5S478 K479 R482D291-S478 PolarHBondContact N-O 3.46Å; D291-K479 HydrophobicContact CB-CD 4.24Å; D291-K479 IonicContact OD1-NZ 3.74Å; D291-K479 WeakPolarHBondContact OD2-CE 3.44Å; D291-K479 IonicContact OD2-NZ 3.54Å; D291-K479 PolarHBondContact OD2-NZ 3.4Å; D291-R482 WeakPolarHBondContact O-CD 3.26Å; D291-R482 PolarHBondContact O-NE 3.29Å; D291-R482 IonicContact OD1-CZ 2.91Å; D291-R482 IonicContact OD1-NE 2.73Å; D291-R482 PolarHBondContact OD1-NE 2.72Å; D291-R482 IonicContact OD1-NH2 3.37Å; D291-R482 PolarHBondContact OD1-NH2 3.42Å
292Y96.4Very high96.8Very high7 Ų713.8 Ų13.83%0.0278%0.075CC..SBendtrans-153.7156.8177.9-148.5-108.6000109.1L260 A261 V263 L290 V294 K296 V297 V481 R482 M485L260-Y292 HydrophobicContact CB-CE1 4.41Å; L260-Y292 HydrophobicContact CD1-CD2 4.33Å; L260-Y292 HydrophobicContact CD1-CE2 3.78Å; L260-Y292 HydrophobicContact CD2-CE2 4.5Å; A261-Y292 WeakPolarHBondContact O-CE1 3.41Å; A261-Y292 PolarHBondContact O-OH 3.25Å; V263-Y292 HydrophobicContact CG2-CE1 4.32Å; L290-Y292 VanDerWaalsContact C-N 3.3Å; L290-Y292 PolarHBondContact O-N 3.34Å; L290-Y292 VanDerWaalsContact O-N 3.11Å; Y292-V294 PolarHBondContact O-N 3.5Å; Y292-K296 HydrophobicContact CD1-CB 3.83Å; Y292-K296 HydrophobicContact CE1-CB 3.63Å; Y292-K296 HydrophobicContact CE1-CG 4.45Å; Y292-V297 HydrophobicContact CD1-CG2 3.53Å; Y292-V297 HydrophobicContact CG-CG2 4.02Å; Y292-V481 HydrophobicContact CD2-CB 4.26Å; Y292-V481 HydrophobicContact CD2-CG1 3.86Å; Y292-V481 HydrophobicContact CE1-CG1 4.4Å; Y292-V481 HydrophobicContact CE2-CG1 3.74Å; Y292-V481 HydrophobicContact CG-CG1 4.25Å; Y292-R482 HydrophobicContact CD2-CG 3.8Å; Y292-R482 HydrophobicContact CE2-CG 4.1Å; Y292-M485 HydrophobicContact CE2-CG 4.21Å; Y292-M485 WeakPolarHBondContact OH-CG 3.28Å
293P95.2Very high96.7Very high23 Ų2313.7 Ų13.715%0.1497%0.074CC..  trans-57.6136.8176.7-25.634.9000112.3L260 D295 K296 V297L260-P293 HydrophobicContact CD1-CG 4.07Å; P293-D295 VanDerWaalsContact C-N 3.29Å; P293-D295 WeakPolarHBondContact CB-OD1 3.44Å; P293-D295 PolarHBondContact O-N 3.14Å; P293-K296 HydrophobicContact CB-CB 4.33Å; P293-K296 HydrophobicContact CB-CG 3.9Å; P293-K296 HydrophobicContact CG-CG 4.39Å; P293-K296 PolarHBondContact O-N 3.4Å; P293-K296 VanDerWaalsContact O-N 3.13Å; P293-V297 PolarHBondContact O-N 3.31Å
294V93.7Very high96.4Very high44 Ų4414.3 Ų14.327%0.2678%0.078SC..THydrogen-bonded Turntrans-68.1-28.5-171.3-630000113.1Y292 K296 E426 P428Y292-V294 PolarHBondContact O-N 3.5Å; V294-K296 VanDerWaalsContact C-N 3.26Å; V294-K296 PolarHBondContact O-N 2.98Å; V294-E426 HydrophobicContact CG2-CB 4.36Å; V294-P428 HydrophobicContact CB-CG 4.5Å; V294-P428 HydrophobicContact CG1-CG 4.47Å
295D91.6Very high96Very high93 Ų9315 Ų1550%0.4978%0.084SC..THydrogen-bonded Turntrans-76.3-13.1176.767.7-56.2000113P293P293-D295 VanDerWaalsContact C-N 3.29Å; P293-D295 WeakPolarHBondContact CB-OD1 3.44Å; P293-D295 PolarHBondContact O-N 3.14Å
296K95.2Very high95.8Very high48 Ų4815 Ų1521%0.2098%0.084CC..THydrogen-bonded Turntrans-103.2-14.9-177.2-56.8-56.1-175.6-152.30113.6S258 L260 A262 V263 Y292 P293 V294S258-K296 WeakPolarHBondContact O-CE 3.45Å; L260-K296 WeakPolarHBondContact O-CD 3.27Å; L260-K296 VanDerWaalsContact O-CE 3.24Å; L260-K296 WeakPolarHBondContact O-CE 3.46Å; A262-K296 CarbonylContact C-O 3.5Å; A262-K296 VanDerWaalsContact CA-O 3.26Å; A262-K296 WeakPolarHBondContact CA-O 3.38Å; A262-K296 HydrophobicContact CB-CD 4.48Å; V263-K296 PolarHBondContact N-O 3.45Å; Y292-K296 HydrophobicContact CD1-CB 3.83Å; Y292-K296 HydrophobicContact CE1-CB 3.63Å; Y292-K296 HydrophobicContact CE1-CG 4.45Å; P293-K296 HydrophobicContact CB-CB 4.33Å; P293-K296 HydrophobicContact CB-CG 3.9Å; P293-K296 HydrophobicContact CG-CG 4.39Å; P293-K296 PolarHBondContact O-N 3.4Å; P293-K296 VanDerWaalsContact O-N 3.13Å; V294-K296 VanDerWaalsContact C-N 3.26Å; V294-K296 PolarHBondContact O-N 2.98Å
297V96.6Very high95.6Very high3 Ų316.1 Ų16.12%0.0189%0.094CC..EExtended strand (participates in β ladder)trans-104.3129.8178.1-177.70000109.8F265 Y292 P293 P428F265-V297 HydrophobicContact CD2-CG1 4Å; F265-V297 HydrophobicContact CE2-CG1 4.14Å; Y292-V297 HydrophobicContact CD1-CG2 3.53Å; Y292-V297 HydrophobicContact CG-CG2 4.02Å; P293-V297 PolarHBondContact O-N 3.31Å; V297-P428 HydrophobicContact CB-CB 4.19Å; V297-P428 HydrophobicContact CB-CG 4.38Å; V297-P428 HydrophobicContact CG1-CB 4.25Å; V297-P428 WeakPolarHBondContact O-CB 3.42Å
298S97.4Very high95.4Very high12 Ų1216.5 Ų16.58%0.08410%0.096CC..EExtended strand (participates in β ladder)trans-129138.8165.7-64.40000109.7V263 D264 F265V263-S298 PolarHBondContact O-N 3.03Å; D264-S298 CarbonylContact C-O 3.56Å; D264-S298 WeakPolarHBondContact CA-O 3.41Å; D264-S298 WeakPolarHBondContact OD1-CB 3.46Å; F265-S298 PolarHBondContact N-O 3.36Å
299C98.3Very high95.3Very high0 Ų017 Ų170%010%0.098CC..EExtended strand (participates in β ladder)trans-108.2125.9178-174.90000109.4I287 L288 R429 L430 V431I287-C299 HydrophobicContact CG2-CB 4.01Å; L288-C299 HydrophobicContact CD2-CB 4.09Å; C299-R429 PolarHBondContact N-O 3.38Å; C299-L430 HydrophobicContact CB-CD1 3.87Å; C299-L430 CarbonylContact O-C 3.43Å; C299-L430 VanDerWaalsContact O-CA 3.31Å; C299-L430 WeakPolarHBondContact O-CA 3.47Å; C299-V431 PolarHBondContact O-N 3.3Å
300Y98.5Very high95.2Very high0 Ų017.4 Ų17.40%010%0.101CC..EExtended strand (participates in β ladder)trans-113.8125.9175.8-70.6-104.1000109D264 F265 F266 V267 V431 V433 L453 V456 S457 L460 T461D264-Y300 HydrophobicContact CB-CD2 4.2Å; D264-Y300 HydrophobicContact CB-CE2 4.17Å; F265-Y300 PolarHBondContact O-N 3.47Å; F266-Y300 HydrophobicContact CD1-CD2 4.36Å; F266-Y300 HydrophobicContact CD1-CG 4.27Å; F266-Y300 HydrophobicContact CE1-CD2 4.1Å; F266-Y300 HydrophobicContact CE1-CG 4.11Å; V267-Y300 PolarHBondContact N-O 2.7Å; Y300-V431 CarbonylContact C-O 3.53Å; Y300-V431 WeakPolarHBondContact CA-O 3.29Å; Y300-V431 HydrophobicContact CD1-CB 3.62Å; Y300-V431 HydrophobicContact CD1-CG1 3.9Å; Y300-V431 HydrophobicContact CD1-CG2 4.16Å; Y300-V431 HydrophobicContact CE1-CB 3.67Å; Y300-V431 HydrophobicContact CE1-CG1 3.8Å; Y300-V431 HydrophobicContact CE1-CG2 3.75Å; Y300-V431 HydrophobicContact CE2-CG2 4.39Å; Y300-V431 HydrophobicContact CG-CB 4.18Å; Y300-V433 HydrophobicContact CD1-CG2 4.27Å; Y300-L453 HydrophobicContact CD1-CD2 4.38Å; Y300-V456 HydrophobicContact CD1-CG1 4.23Å; Y300-V456 HydrophobicContact CE1-CG1 4.26Å; Y300-S457 VanDerWaalsContact CZ-CB 3.47Å; Y300-L460 HydrophobicContact CE1-CD1 4.11Å; Y300-L460 WeakPolarHBondContact OH-CB 3.05Å; Y300-T461 VanDerWaalsContact OH-CG2 3.27Å; Y300-T461 WeakPolarHBondContact OH-CG2 3.31Å; Y300-T461 PolarHBondContact OH-OG1 3.35Å; Y300-T461 VanDerWaalsContact OH-OG1 3.09Å
301V98.1Very high95.1Very high1 Ų118.4 Ų18.41%0.00611%0.106CC..EExtended strand (participates in β ladder)trans-112.6114.3175.8-177.10000108.1V267 T269 V284 L314 L430 V431 V433V267-V301 HydrophobicContact CB-CG2 4.34Å; V267-V301 CarbonylContact O-C 3.52Å; V267-V301 VanDerWaalsContact O-CA 3.29Å; V267-V301 WeakPolarHBondContact O-CA 3.42Å; T269-V301 HydrophobicContact CG2-CG1 4.49Å; V284-V301 HydrophobicContact CG2-CG2 3.67Å; V301-L314 HydrophobicContact CB-CD2 3.8Å; V301-L314 HydrophobicContact CG1-CD1 4.35Å; V301-L314 HydrophobicContact CG1-CD2 3.98Å; V301-L314 HydrophobicContact CG2-CD2 3.96Å; V301-L430 HydrophobicContact CG2-CD1 3.82Å; V301-V431 PolarHBondContact N-O 3.13Å; V301-V433 PolarHBondContact O-N 3.34Å
302S97.2Very high95.1Very high2 Ų217.1 Ų17.11%0.01410%0.098CC..EExtended strand (participates in β ladder)trans-91.5120.2172.7-178.20000109.9V267 T269 V433V267-S302 PolarHBondContact O-N 2.98Å; T269-S302 WeakPolarHBondContact CG2-O 3.12Å; T269-S302 PolarHBondContact N-O 3.22Å; S302-V433 CarbonylContact C-O 3.56Å; S302-V433 VanDerWaalsContact CA-O 3.26Å; S302-V433 WeakPolarHBondContact CA-O 3.19Å
303D95.1Very high95.1Very high0 Ų016.9 Ų16.90%010%0.097CC..EExtended strand (participates in β ladder)trans-102.3105.5170.1-177.712.8000110.5T269 G305 A306 A307 S310 Y432 V433 S434T269-D303 HydrophobicContact CG2-CB 3.97Å; D303-G305 VanDerWaalsContact C-N 3.27Å; D303-G305 WeakPolarHBondContact OD1-CA 3.43Å; D303-G305 PolarHBondContact OD1-N 3.45Å; D303-A306 PolarHBondContact OD1-N 2.96Å; D303-A306 PolarHBondContact OD2-N 3.35Å; D303-A307 PolarHBondContact OD2-N 3.37Å; D303-S310 WeakPolarHBondContact OD2-CB 3.41Å; D303-S310 PolarHBondContact OD2-OG 2.95Å; D303-S310 VanDerWaalsContact OD2-OG 3.09Å; D303-Y432 HydrophobicContact CB-CE2 3.54Å; D303-Y432 PolarHBondContact OD2-OH 3.5Å; D303-V433 PolarHBondContact N-O 3.43Å; D303-S434 PolarHBondContact O-OG 3.12Å
304D90.3Very high95.1Very high15 Ų1516.1 Ų16.18%0.089%0.092CC..THydrogen-bonded Turntrans-78.1-14.3177.5-123.550.3000112.3T269 K437 A449T269-D304 PolarHBondContact O-N 3.23Å; D304-K437 VanDerWaalsContact CG-NZ 3.31Å; D304-K437 PolarHBondContact O-NZ 3.47Å; D304-K437 IonicContact OD1-NZ 3.24Å; D304-K437 IonicContact OD2-NZ 2.61Å; D304-K437 PolarHBondContact OD2-NZ 2.84Å; D304-A449 WeakPolarHBondContact OD1-CB 3.5Å
305G89.8Confident95.2Very high13 Ų1316 Ų1613%0.1349%0.091CC..THydrogen-bonded Turntrans-86.4-14.8176.100000114V270 D303 A307 T403V270-G305 WeakPolarHBondContact O-CA 3.44Å; V270-G305 PolarHBondContact O-N 3.03Å; D303-G305 VanDerWaalsContact C-N 3.27Å; D303-G305 WeakPolarHBondContact OD1-CA 3.43Å; D303-G305 PolarHBondContact OD1-N 3.45Å; G305-A307 PolarHBondContact O-N 2.89Å; G305-T403 WeakPolarHBondContact O-CG2 3.3Å
306A94Very high95.5Very high0 Ų013.8 Ų13.80%08%0.078CC..  trans49.135.9-172.800000113.1D303 W398 H406 M409 S434D303-A306 PolarHBondContact OD1-N 2.96Å; D303-A306 PolarHBondContact OD2-N 3.35Å; A306-W398 PolarHBondContact O-NE1 3.1Å; A306-H406 VanDerWaalsContact CB-CE1 3.41Å; A306-H406 WeakPolarHBondContact CB-CE1 3.39Å; A306-M409 HydrophobicContact CB-CE 3.93Å; A306-S434 WeakPolarHBondContact CB-OG 3.4Å
307A93.5Very high95.6Very high25 Ų2511.5 Ų11.521%0.2077%0.068CC..  trans-87.5132-169.600000111.1P272 D303 G305 L309 S310 F311P272-A307 HydrophobicContact CG-CB 3.68Å; D303-A307 PolarHBondContact OD2-N 3.37Å; G305-A307 PolarHBondContact O-N 2.89Å; A307-L309 PolarHBondContact O-N 3.29Å; A307-L309 VanDerWaalsContact O-N 3.17Å; A307-S310 WeakPolarHBondContact O-CB 3.36Å; A307-S310 PolarHBondContact O-N 3.49Å; A307-F311 PolarHBondContact O-N 3.25Å
308M94.4Very high95.6Very high8 Ų811.7 Ų11.74%0.0397%0.07CC..Hα-helixtrans-56.4-35175.9-167.2-164.5-171.500111.8S310 F311 E312 W390 T391 W398M308-S310 PolarHBondContact O-N 3.34Å; M308-F311 PolarHBondContact O-N 3.41Å; M308-E312 HydrophobicContact CE-CG 4.11Å; M308-E312 WeakPolarHBondContact CE-OE1 3.46Å; M308-E312 HydrophobicContact CG-CG 4.2Å; M308-E312 PolarHBondContact O-N 3.43Å; M308-W390 HydrophobicContact CB-CB 4.2Å; M308-W390 HydrophobicContact CB-CD2 4.38Å; M308-W390 HydrophobicContact CB-CG 4.05Å; M308-W390 HydrophobicContact CG-CB 4.39Å; M308-W390 HydrophobicContact SD-CB 3.62Å; M308-W390 HydrophobicContact SD-CD2 3.98Å; M308-W390 HydrophobicContact SD-CE3 3.72Å; M308-W390 HydrophobicContact SD-CG 3.96Å; M308-T391 WeakPolarHBondContact CE-O 3.41Å; M308-W398 HydrophobicContact CB-CD2 4.26Å; M308-W398 HydrophobicContact CB-CG 4.3Å; M308-W398 HydrophobicContact CG-CD2 4.35Å
309L95.3Very high95.5Very high10 Ų1014.8 Ų14.85%0.0529%0.086CC..Hα-helixtrans-57.8-46175.8175.658.4000112P272 P277 A307 F311 S313 L378 V379 A382P272-L309 HydrophobicContact CB-CB 4.41Å; P272-L309 HydrophobicContact CB-CD2 3.69Å; P272-L309 HydrophobicContact CB-CG 4.01Å; P272-L309 HydrophobicContact CG-CB 4.12Å; P272-L309 HydrophobicContact CG-CD2 3.94Å; P272-L309 HydrophobicContact CG-CG 4.23Å; P277-L309 HydrophobicContact CG-CD1 4.16Å; P277-L309 HydrophobicContact CG-CD2 3.84Å; P277-L309 HydrophobicContact CG-CG 3.79Å; A307-L309 PolarHBondContact O-N 3.29Å; A307-L309 VanDerWaalsContact O-N 3.17Å; L309-F311 VanDerWaalsContact C-N 3.31Å; L309-F311 PolarHBondContact O-N 2.99Å; L309-S313 WeakPolarHBondContact O-CB 3.08Å; L309-S313 PolarHBondContact O-N 2.82Å; L309-S313 PolarHBondContact O-OG 3.23Å; L309-L378 HydrophobicContact CD1-CB 3.91Å; L309-V379 HydrophobicContact CD1-CG2 4.15Å; L309-V379 HydrophobicContact CD2-CG2 4.32Å; L309-A382 HydrophobicContact CB-CB 3.85Å; L309-A382 HydrophobicContact CD1-CB 4.03Å; L309-A382 HydrophobicContact CD2-CB 3.67Å; L309-A382 HydrophobicContact CG-CB 4.05Å
310S94.8Very high95.5Very high8 Ų815 Ų156%0.0569%0.086CC..Hα-helixtrans-60.7-44.3177.6-550000110.8D303 A307 M308 S313 L314D303-S310 WeakPolarHBondContact OD2-CB 3.41Å; D303-S310 PolarHBondContact OD2-OG 2.95Å; D303-S310 VanDerWaalsContact OD2-OG 3.09Å; A307-S310 WeakPolarHBondContact O-CB 3.36Å; A307-S310 PolarHBondContact O-N 3.49Å; M308-S310 PolarHBondContact O-N 3.34Å; S310-S313 PolarHBondContact O-N 3.45Å; S310-L314 WeakPolarHBondContact O-CD1 3.35Å; S310-L314 PolarHBondContact O-N 3.03Å
311F95.6Very high95.5Very high26 Ų2615 Ų1511%0.1149%0.086CC..Hα-helixtrans-63.7-54.6179.1178-96.4000112.7A307 M308 L309 S313 L314 V315 M392 W398 Q411 F413 Y432A307-F311 PolarHBondContact O-N 3.25Å; M308-F311 PolarHBondContact O-N 3.41Å; L309-F311 VanDerWaalsContact C-N 3.31Å; L309-F311 PolarHBondContact O-N 2.99Å; F311-S313 PolarHBondContact O-N 2.88Å; F311-L314 PolarHBondContact O-N 3.4Å; F311-V315 HydrophobicContact CD1-CG2 4.45Å; F311-V315 HydrophobicContact CE1-CG2 4.08Å; F311-V315 HydrophobicContact CZ-CG2 4.29Å; F311-V315 PolarHBondContact O-N 2.96Å; F311-V315 VanDerWaalsContact O-N 3.1Å; F311-M392 HydrophobicContact CE1-CE 3.95Å; F311-M392 HydrophobicContact CZ-CE 4.12Å; F311-W398 HydrophobicContact CB-CH2 3.6Å; F311-W398 HydrophobicContact CB-CZ2 4.18Å; F311-W398 HydrophobicContact CB-CZ3 4.29Å; F311-W398 HydrophobicContact CD1-CH2 4.11Å; F311-W398 AromaticContact CD1-CZ3 3.95Å; F311-W398 HydrophobicContact CD1-CZ3 3.95Å; F311-W398 AromaticContact CD2-CH2 3.94Å; F311-W398 HydrophobicContact CD2-CH2 3.94Å; F311-W398 HydrophobicContact CD2-CZ3 4.33Å; F311-W398 HydrophobicContact CE1-CZ3 4.37Å; F311-W398 AromaticContact CG-CH2 3.61Å; F311-W398 HydrophobicContact CG-CH2 3.61Å; F311-W398 AromaticContact CG-CZ3 3.92Å; F311-W398 HydrophobicContact CG-CZ3 3.92Å; F311-Q411 HydrophobicContact CE2-CB 4.01Å; F311-Q411 HydrophobicContact CE2-CG 3.99Å; F311-Q411 HydrophobicContact CZ-CG 4.45Å; F311-F413 HydrophobicContact CD2-CZ 4.2Å; F311-F413 HydrophobicContact CE2-CE1 4.49Å; F311-F413 HydrophobicContact CE2-CE2 4.43Å; F311-F413 AromaticContact CE2-CZ 3.62Å; F311-F413 HydrophobicContact CE2-CZ 3.62Å; F311-F413 HydrophobicContact CZ-CZ 4.05Å; F311-Y432 HydrophobicContact CB-CE2 4.49Å; F311-Y432 AromaticContact CD2-CD1 3.99Å; F311-Y432 HydrophobicContact CD2-CD1 3.99Å; F311-Y432 HydrophobicContact CD2-CE1 4.03Å; F311-Y432 HydrophobicContact CD2-CG 4.32Å
312E95.4Very high95.4Very high22 Ų2218.9 Ų18.910%0.10310%0.101CC..Hα-helixtrans-59.9-34.5178-69.2-170.1146.800110.9M308 L314 V315 E316 L378 K381M308-E312 HydrophobicContact CE-CG 4.11Å; M308-E312 WeakPolarHBondContact CE-OE1 3.46Å; M308-E312 HydrophobicContact CG-CG 4.2Å; M308-E312 PolarHBondContact O-N 3.43Å; E312-L314 PolarHBondContact O-N 3.26Å; E312-V315 WeakPolarHBondContact O-CB 3.3Å; E312-V315 PolarHBondContact O-N 3.48Å; E312-E316 PolarHBondContact O-N 3.23Å; E312-E316 VanDerWaalsContact O-N 3.12Å; E312-L378 HydrophobicContact CB-CD1 3.72Å; E312-K381 IonicContact OE1-NZ 3.75Å; E312-K381 PolarHBondContact OE1-NZ 2.97Å; E312-K381 IonicContact OE2-NZ 2.81Å; E312-K381 PolarHBondContact OE2-NZ 3.32Å; E312-K381 VanDerWaalsContact OE2-NZ 3.12Å
313S96.6Very high95.4Very high2 Ų222.3 Ų22.31%0.01412%0.116CC..Hα-helixtrans-64.7-38.6175.2-56.70000113.1P277 L309 S310 F311 T317 M375P277-S313 VanDerWaalsContact CB-OG 3.23Å; P277-S313 WeakPolarHBondContact CB-OG 3.39Å; L309-S313 WeakPolarHBondContact O-CB 3.08Å; L309-S313 PolarHBondContact O-N 2.82Å; L309-S313 PolarHBondContact O-OG 3.23Å; S310-S313 PolarHBondContact O-N 3.45Å; F311-S313 PolarHBondContact O-N 2.88Å; S313-T317 VanDerWaalsContact O-CB 3.3Å; S313-T317 WeakPolarHBondContact O-CB 3.3Å; S313-T317 PolarHBondContact O-N 3.05Å; S313-T317 PolarHBondContact O-OG1 3.04Å; S313-M375 VanDerWaalsContact OG-CE 3.31Å; S313-M375 WeakPolarHBondContact OG-CE 3.28Å
314L96.7Very high95.5Very high6 Ų622.3 Ų22.33%0.03112%0.116CC..Hα-helixtrans-69.1-33.6175.6-100.469.6000112.5V301 S310 F311 E312 T317 A318 F413 Y432V301-L314 HydrophobicContact CB-CD2 3.8Å; V301-L314 HydrophobicContact CG1-CD1 4.35Å; V301-L314 HydrophobicContact CG1-CD2 3.98Å; V301-L314 HydrophobicContact CG2-CD2 3.96Å; S310-L314 WeakPolarHBondContact O-CD1 3.35Å; S310-L314 PolarHBondContact O-N 3.03Å; F311-L314 PolarHBondContact O-N 3.4Å; E312-L314 PolarHBondContact O-N 3.26Å; L314-T317 PolarHBondContact O-N 3.49Å; L314-A318 WeakPolarHBondContact O-CB 3.46Å; L314-A318 PolarHBondContact O-N 3.41Å; L314-F413 HydrophobicContact CB-CE2 4.21Å; L314-Y432 HydrophobicContact CD2-CD2 3.89Å; L314-Y432 HydrophobicContact CD2-CG 4.46Å
315V95.7Very high95.9Very high43 Ų4322 Ų2226%0.26111%0.114SC..Hα-helixtrans-61.1-53173.5176.30000110.2F311 E312 T317 A318 D319 F413F311-V315 HydrophobicContact CD1-CG2 4.45Å; F311-V315 HydrophobicContact CE1-CG2 4.08Å; F311-V315 HydrophobicContact CZ-CG2 4.29Å; F311-V315 PolarHBondContact O-N 2.96Å; F311-V315 VanDerWaalsContact O-N 3.1Å; E312-V315 WeakPolarHBondContact O-CB 3.3Å; E312-V315 PolarHBondContact O-N 3.48Å; V315-T317 VanDerWaalsContact C-N 3.26Å; V315-T317 PolarHBondContact O-N 2.84Å; V315-A318 WeakPolarHBondContact O-CB 3.45Å; V315-A318 PolarHBondContact O-N 3.11Å; V315-A318 VanDerWaalsContact O-N 3.16Å; V315-D319 PolarHBondContact O-N 3.5Å; V315-D319 VanDerWaalsContact O-N 3.1Å; V315-F413 HydrophobicContact CG2-CE1 3.74Å; V315-F413 HydrophobicContact CG2-CZ 3.79Å
316E96.6Very high96.1Very high45 Ų4522 Ų2221%0.2111%0.112CC..Hα-helixtrans-59.9-37.8176.4-73.9-69.4156.900112E312 D319 F320 F371 R374 M375 L378E312-E316 PolarHBondContact O-N 3.23Å; E312-E316 VanDerWaalsContact O-N 3.12Å; E316-D319 PolarHBondContact O-N 3.03Å; E316-F320 PolarHBondContact O-N 3.43Å; E316-F371 HydrophobicContact CB-CE2 4.1Å; E316-R374 IonicContact OE2-CZ 2.7Å; E316-R374 IonicContact OE2-NE 3.99Å; E316-R374 PolarHBondContact OE2-NE 3.09Å; E316-R374 IonicContact OE2-NH2 3.43Å; E316-M375 HydrophobicContact CB-SD 4.48Å; E316-L378 HydrophobicContact CG-CD1 3.99Å
317T97.9Very high96.2Very high0 Ų022.5 Ų22.50%011%0.114CC..Hα-helixtrans-65.2-42.2177.3-59.80000111.4A281 V284 L285 S313 L314 V315 D319 F320 A321A281-T317 HydrophobicContact CB-CG2 4.03Å; A281-T317 WeakPolarHBondContact CB-OG1 3.29Å; V284-T317 HydrophobicContact CB-CG2 4.38Å; V284-T317 HydrophobicContact CG1-CG2 4.16Å; L285-T317 HydrophobicContact CD1-CG2 4.24Å; L285-T317 HydrophobicContact CD2-CG2 4Å; L285-T317 HydrophobicContact CG-CG2 3.75Å; S313-T317 VanDerWaalsContact O-CB 3.3Å; S313-T317 WeakPolarHBondContact O-CB 3.3Å; S313-T317 PolarHBondContact O-N 3.05Å; S313-T317 PolarHBondContact O-OG1 3.04Å; L314-T317 PolarHBondContact O-N 3.49Å; V315-T317 VanDerWaalsContact C-N 3.26Å; V315-T317 PolarHBondContact O-N 2.84Å; T317-D319 VanDerWaalsContact C-N 3.34Å; T317-D319 PolarHBondContact O-N 3.18Å; T317-F320 PolarHBondContact O-N 3.01Å; T317-A321 WeakPolarHBondContact O-CB 3.15Å; T317-A321 PolarHBondContact O-N 3.44Å
318A96.6Very high96.3Very high7 Ų721.3 Ų21.36%0.05810%0.104CC..Hα-helixtrans-62.6-41.5177.200000111.3L314 V315 A321 R322 F413 L414 L430L314-A318 WeakPolarHBondContact O-CB 3.46Å; L314-A318 PolarHBondContact O-N 3.41Å; V315-A318 WeakPolarHBondContact O-CB 3.45Å; V315-A318 PolarHBondContact O-N 3.11Å; V315-A318 VanDerWaalsContact O-N 3.16Å; A318-A321 WeakPolarHBondContact O-CB 3.24Å; A318-A321 PolarHBondContact O-N 3.49Å; A318-R322 WeakPolarHBondContact O-CG 3.45Å; A318-R322 PolarHBondContact O-N 3.03Å; A318-F413 HydrophobicContact CB-CB 4.19Å; A318-L414 HydrophobicContact CB-CD1 4.4Å; A318-L414 HydrophobicContact CB-CD2 4.46Å; A318-L414 HydrophobicContact CB-CG 4.23Å; A318-L430 HydrophobicContact CB-CD2 4.43Å
319D96.1Very high96.3Very high78 Ų7824.3 Ų24.342%0.41712%0.117SC..Hα-helixtrans-66.3-41.6176.2-82.5-29.8000112.6V315 E316 T317 R322V315-D319 PolarHBondContact O-N 3.5Å; V315-D319 VanDerWaalsContact O-N 3.1Å; E316-D319 PolarHBondContact O-N 3.03Å; T317-D319 VanDerWaalsContact C-N 3.34Å; T317-D319 PolarHBondContact O-N 3.18Å; D319-R322 WeakPolarHBondContact O-CB 3.3Å; D319-R322 PolarHBondContact O-N 2.68Å; D319-R322 IonicContact OD1-NH1 3Å
320F97.9Very high96.2Very high4 Ų427.7 Ų27.72%0.01813%0.131CC..Hα-helixtrans-67.3-35.7174.9-176.9-107.3000112.3L285 E316 T317 R322 K323 W324 P338 M364 D367 Y368 F371L285-F320 HydrophobicContact CD1-CD1 3.69Å; L285-F320 HydrophobicContact CD1-CE1 4.05Å; L285-F320 HydrophobicContact CD2-CD1 3.89Å; L285-F320 HydrophobicContact CG-CD1 4.47Å; E316-F320 PolarHBondContact O-N 3.43Å; T317-F320 PolarHBondContact O-N 3.01Å; F320-R322 PolarHBondContact O-N 2.82Å; F320-K323 PolarHBondContact O-N 3.04Å; F320-W324 HydrophobicContact CD1-CB 4.08Å; F320-W324 HydrophobicContact CE1-CB 3.67Å; F320-W324 HydrophobicContact CE1-CD2 4.31Å; F320-W324 AromaticContact CE1-CG 3.96Å; F320-W324 HydrophobicContact CE1-CG 3.96Å; F320-W324 HydrophobicContact CZ-CB 4.08Å; F320-W324 HydrophobicContact CZ-CE3 4.35Å; F320-W324 HydrophobicContact CZ-CG 4.5Å; F320-W324 PolarHBondContact O-N 3.05Å; F320-P338 HydrophobicContact CE1-CG 4.23Å; F320-M364 HydrophobicContact CE2-SD 4.22Å; F320-M364 HydrophobicContact CZ-SD 4.16Å; F320-D367 HydrophobicContact CE2-CB 4.28Å; F320-Y368 AromaticContact CE1-CD2 3.73Å; F320-Y368 HydrophobicContact CE1-CD2 3.73Å; F320-Y368 HydrophobicContact CE1-CE2 4.42Å; F320-Y368 HydrophobicContact CE2-CD2 4.37Å; F320-Y368 AromaticContact CZ-CD2 3.6Å; F320-Y368 HydrophobicContact CZ-CD2 3.6Å; F320-Y368 HydrophobicContact CZ-CG 4.18Å; F320-F371 HydrophobicContact CB-CD2 3.66Å; F320-F371 HydrophobicContact CB-CE2 4.01Å; F320-F371 HydrophobicContact CB-CG 4.09Å; F320-F371 HydrophobicContact CD1-CD1 4.29Å; F320-F371 HydrophobicContact CD1-CG 4.29Å; F320-F371 HydrophobicContact CD2-CB 3.89Å; F320-F371 HydrophobicContact CD2-CG 4.16Å; F320-F371 HydrophobicContact CE2-CB 4.32Å; F320-F371 HydrophobicContact CG-CB 4.16Å; F320-F371 HydrophobicContact CG-CD1 4.36Å; F320-F371 HydrophobicContact CG-CD2 4.01Å; F320-F371 AromaticContact CG-CG 3.9Å; F320-F371 HydrophobicContact CG-CG 3.9Å
321A97.6Very high96.2Very high0 Ų027.8 Ų27.80%013%0.131CC..Hα-helixtrans-56.7-36.417800000112.3L285 L288 T317 A318 K323 W324 V325 L414 L427L285-A321 HydrophobicContact CD2-CB 3.68Å; L288-A321 HydrophobicContact CD1-CB 3.85Å; T317-A321 WeakPolarHBondContact O-CB 3.15Å; T317-A321 PolarHBondContact O-N 3.44Å; A318-A321 WeakPolarHBondContact O-CB 3.24Å; A318-A321 PolarHBondContact O-N 3.49Å; A321-K323 PolarHBondContact O-N 3.39Å; A321-K323 VanDerWaalsContact O-N 3.13Å; A321-W324 PolarHBondContact O-N 3.42Å; A321-V325 HydrophobicContact CB-CG2 4.31Å; A321-V325 WeakPolarHBondContact O-CB 3.22Å; A321-V325 VanDerWaalsContact O-CG2 3.29Å; A321-V325 WeakPolarHBondContact O-CG2 3.27Å; A321-V325 PolarHBondContact O-N 3.01Å; A321-L414 HydrophobicContact CB-CD1 4.27Å; A321-L427 HydrophobicContact CB-CD2 4.36Å
322R97.2Very high96Very high82 Ų8230.3 Ų30.331%0.30915%0.151SC..Hα-helixtrans-59.4-24.4177-63.216966.6-154.9-2.5113.5A318 D319 F320 P326 L414 R420 L427A318-R322 WeakPolarHBondContact O-CG 3.45Å; A318-R322 PolarHBondContact O-N 3.03Å; D319-R322 WeakPolarHBondContact O-CB 3.3Å; D319-R322 PolarHBondContact O-N 2.68Å; D319-R322 IonicContact OD1-NH1 3Å; F320-R322 PolarHBondContact O-N 2.82Å; R322-P326 WeakPolarHBondContact O-CD 3.31Å; R322-P326 WeakPolarHBondContact O-CG 3.25Å; R322-L414 HydrophobicContact CG-CD2 3.98Å; R322-R420 PolarHBondContact NE-O 3.16Å; R322-R420 PolarHBondContact NH2-O 2.98Å; R322-L427 HydrophobicContact CG-CD1 4.34Å
323K97Very high95.9Very high75 Ų7529.3 Ų29.333%0.32615%0.147SC..Hα-helixtrans-95.2-43.2174.4-47.4-169.9172.6178.30112.1F320 A321 P326 M364 D367 I422F320-K323 PolarHBondContact O-N 3.04Å; A321-K323 PolarHBondContact O-N 3.39Å; A321-K323 VanDerWaalsContact O-N 3.13Å; K323-P326 WeakPolarHBondContact O-CG 3.41Å; K323-M364 HydrophobicContact CB-CE 4.01Å; K323-M364 HydrophobicContact CB-SD 4.45Å; K323-M364 WeakPolarHBondContact O-CE 3.15Å; K323-D367 VanDerWaalsContact CD-OD2 3.24Å; K323-D367 WeakPolarHBondContact CD-OD2 3.15Å; K323-D367 IonicContact NZ-OD2 3.58Å; K323-D367 PolarHBondContact NZ-OD2 3.04Å; K323-I422 HydrophobicContact CB-CD1 4.03Å; K323-I422 HydrophobicContact CD-CD1 4.42Å; K323-I422 HydrophobicContact CG-CD1 3.68Å
324W97.6Very high95.7Very high0 Ų031.7 Ų31.70%016%0.158CC..Hα-helixtrans-71.1-43.5-173.4178.6-114.9000113.5F320 A321 F327 C328 I333 R336 P338 Y341 F342 M364F320-W324 HydrophobicContact CD1-CB 4.08Å; F320-W324 HydrophobicContact CE1-CB 3.67Å; F320-W324 HydrophobicContact CE1-CD2 4.31Å; F320-W324 AromaticContact CE1-CG 3.96Å; F320-W324 HydrophobicContact CE1-CG 3.96Å; F320-W324 HydrophobicContact CZ-CB 4.08Å; F320-W324 HydrophobicContact CZ-CE3 4.35Å; F320-W324 HydrophobicContact CZ-CG 4.5Å; F320-W324 PolarHBondContact O-N 3.05Å; A321-W324 PolarHBondContact O-N 3.42Å; W324-F327 AromaticContact CE3-CD1 3.89Å; W324-F327 HydrophobicContact CE3-CD1 3.89Å; W324-F327 HydrophobicContact CE3-CE1 4.42Å; W324-F327 HydrophobicContact CH2-CD1 4.41Å; W324-F327 HydrophobicContact CH2-CE1 4.33Å; W324-F327 AromaticContact CZ3-CD1 3.66Å; W324-F327 HydrophobicContact CZ3-CD1 3.66Å; W324-F327 AromaticContact CZ3-CE1 3.74Å; W324-F327 HydrophobicContact CZ3-CE1 3.74Å; W324-F327 PolarHBondContact O-N 3Å; W324-C328 WeakPolarHBondContact CZ2-SG 3.3Å; W324-C328 PolarHBondContact NE1-SG 3.13Å; W324-C328 WeakPolarHBondContact O-CB 3.37Å; W324-C328 PolarHBondContact O-N 3.02Å; W324-I333 HydrophobicContact CH2-CD1 3.32Å; W324-I333 HydrophobicContact CZ2-CD1 3.76Å; W324-I333 HydrophobicContact CZ3-CD1 4Å; W324-R336 WeakPolarHBondContact CZ2-O 3.18Å; W324-R336 PolarHBondContact NE1-O 3.35Å; W324-P338 HydrophobicContact CD2-CB 4.32Å; W324-P338 HydrophobicContact CE3-CB 4.44Å; W324-P338 HydrophobicContact CH2-CB 3.93Å; W324-P338 HydrophobicContact CZ2-CB 3.77Å; W324-P338 HydrophobicContact CZ2-CG 4.44Å; W324-P338 HydrophobicContact CZ3-CB 4.26Å; W324-Y341 AromaticContact CH2-CD1 3.82Å; W324-Y341 HydrophobicContact CH2-CD1 3.82Å; W324-Y341 HydrophobicContact CH2-CE1 4.36Å; W324-Y341 HydrophobicContact CH2-CG 4.4Å; W324-F342 HydrophobicContact CH2-CE2 4.06Å; W324-F342 HydrophobicContact CH2-CZ 4.33Å; W324-F342 AromaticContact CZ3-CE2 3.76Å; W324-F342 HydrophobicContact CZ3-CE2 3.76Å; W324-F342 AromaticContact CZ3-CZ 3.87Å; W324-F342 HydrophobicContact CZ3-CZ 3.87Å; W324-M364 HydrophobicContact CE3-CG 3.65Å; W324-M364 HydrophobicContact CE3-SD 3.91Å; W324-M364 HydrophobicContact CZ3-CG 3.74Å
325V96.8Very high95.5Very high7 Ų731.6 Ų31.64%0.04216%0.157CC..Hα-helixtrans-60.5-51.7-176.5173.20000112.8L288 A289 A321 F327 C328 K329 L427L288-V325 HydrophobicContact CB-CG2 4.03Å; A289-V325 HydrophobicContact CB-CG2 4.26Å; A321-V325 HydrophobicContact CB-CG2 4.31Å; A321-V325 WeakPolarHBondContact O-CB 3.22Å; A321-V325 VanDerWaalsContact O-CG2 3.29Å; A321-V325 WeakPolarHBondContact O-CG2 3.27Å; A321-V325 PolarHBondContact O-N 3.01Å; V325-F327 VanDerWaalsContact C-N 3.33Å; V325-F327 PolarHBondContact O-N 2.95Å; V325-C328 WeakPolarHBondContact O-CB 3.43Å; V325-C328 PolarHBondContact O-N 2.69Å; V325-K329 HydrophobicContact CG1-CD 4.32Å; V325-K329 PolarHBondContact O-N 3.37Å; V325-L427 HydrophobicContact CB-CD2 3.95Å; V325-L427 HydrophobicContact CG1-CD2 4.32Å; V325-L427 HydrophobicContact CG2-CD2 3.93Å
326P95.8Very high95.5Very high15 Ų1529.9 Ų29.910%0.09715%0.146CC..Hα-helixtrans-62.4-40.4178.322.8-33.1000111.8R322 K323 C328 K329 K330 D421R322-P326 WeakPolarHBondContact O-CD 3.31Å; R322-P326 WeakPolarHBondContact O-CG 3.25Å; K323-P326 WeakPolarHBondContact O-CG 3.41Å; P326-C328 PolarHBondContact O-N 2.9Å; P326-K329 PolarHBondContact O-N 2.87Å; P326-K330 WeakPolarHBondContact O-CB 3.49Å; P326-K330 PolarHBondContact O-N 3.14Å; P326-D421 HydrophobicContact CG-CB 4.28Å
327F95.8Very high95.4Very high10 Ų1027.8 Ų27.84%0.04414%0.136CC..Hα-helixtrans-59.6-45.5174.2173.2-97.1000112.3W324 V325 Y331 I333 F357 E360 R361 M364W324-F327 AromaticContact CE3-CD1 3.89Å; W324-F327 HydrophobicContact CE3-CD1 3.89Å; W324-F327 HydrophobicContact CE3-CE1 4.42Å; W324-F327 HydrophobicContact CH2-CD1 4.41Å; W324-F327 HydrophobicContact CH2-CE1 4.33Å; W324-F327 AromaticContact CZ3-CD1 3.66Å; W324-F327 HydrophobicContact CZ3-CD1 3.66Å; W324-F327 AromaticContact CZ3-CE1 3.74Å; W324-F327 HydrophobicContact CZ3-CE1 3.74Å; W324-F327 PolarHBondContact O-N 3Å; V325-F327 VanDerWaalsContact C-N 3.33Å; V325-F327 PolarHBondContact O-N 2.95Å; F327-Y331 AromaticContact CD2-CD2 3.5Å; F327-Y331 HydrophobicContact CD2-CD2 3.5Å; F327-Y331 VanDerWaalsContact CD2-CD2 3.5Å; F327-Y331 AromaticContact CD2-CE2 3.58Å; F327-Y331 HydrophobicContact CD2-CE2 3.58Å; F327-Y331 AromaticContact CE2-CD2 3.46Å; F327-Y331 HydrophobicContact CE2-CD2 3.46Å; F327-Y331 VanDerWaalsContact CE2-CD2 3.46Å; F327-Y331 AromaticContact CE2-CE2 3.62Å; F327-Y331 HydrophobicContact CE2-CE2 3.62Å; F327-Y331 HydrophobicContact CG-CD2 4.23Å; F327-Y331 HydrophobicContact CZ-CD2 4.18Å; F327-Y331 WeakPolarHBondContact O-CD2 3.48Å; F327-Y331 PolarHBondContact O-N 3.32Å; F327-I333 HydrophobicContact CD1-CD1 3.97Å; F327-I333 HydrophobicContact CE1-CD1 3.58Å; F327-I333 HydrophobicContact CE1-CG1 4.36Å; F327-F357 HydrophobicContact CZ-CE2 4.32Å; F327-E360 HydrophobicContact CD2-CB 4.44Å; F327-E360 HydrophobicContact CE2-CB 4.24Å; F327-R361 HydrophobicContact CE2-CB 4.32Å; F327-R361 HydrophobicContact CZ-CB 4.01Å; F327-R361 HydrophobicContact CZ-CG 4.3Å; F327-M364 HydrophobicContact CB-CE 3.68Å; F327-M364 HydrophobicContact CD1-CB 4.35Å; F327-M364 HydrophobicContact CD1-CG 3.77Å; F327-M364 HydrophobicContact CD2-CB 4.27Å; F327-M364 HydrophobicContact CD2-CE 4.44Å; F327-M364 HydrophobicContact CD2-CG 4.44Å; F327-M364 HydrophobicContact CE1-CB 4.28Å; F327-M364 HydrophobicContact CE1-CG 3.98Å; F327-M364 HydrophobicContact CE2-CB 4.23Å; F327-M364 HydrophobicContact CG-CB 4.35Å; F327-M364 HydrophobicContact CG-CE 3.99Å; F327-M364 HydrophobicContact CG-CG 4.02Å; F327-M364 HydrophobicContact CZ-CB 4.24Å; F327-M364 HydrophobicContact CZ-CG 4.44Å
328C95.7Very high95.4Very high0 Ų027.8 Ų27.80%014%0.136CC..Hα-helixtrans-57.8-50.5176.9-100.30000112.1A289 W324 V325 P326 S332 I333 R336A289-C328 HydrophobicContact CB-CB 3.91Å; W324-C328 WeakPolarHBondContact CZ2-SG 3.3Å; W324-C328 PolarHBondContact NE1-SG 3.13Å; W324-C328 WeakPolarHBondContact O-CB 3.37Å; W324-C328 PolarHBondContact O-N 3.02Å; V325-C328 WeakPolarHBondContact O-CB 3.43Å; V325-C328 PolarHBondContact O-N 2.69Å; P326-C328 PolarHBondContact O-N 2.9Å; C328-S332 WeakPolarHBondContact O-CA 3.32Å; C328-S332 PolarHBondContact O-N 2.87Å; C328-I333 HydrophobicContact CB-CG1 4.35Å; C328-I333 PolarHBondContact O-N 2.88Å; C328-I333 VanDerWaalsContact SG-CD1 3.59Å; C328-R336 VanDerWaalsContact C-NH1 3.31Å; C328-R336 PolarHBondContact O-NH1 3.24Å
329K93.6Very high95.2Very high71 Ų7129.4 Ų29.431%0.30914%0.143SC..Hα-helixtrans-68.4-48.1-176.9-71.5-170174.1-168.30111.1L290 V325 P326 Y331 S332L290-K329 WeakPolarHBondContact O-CE 3.33Å; V325-K329 HydrophobicContact CG1-CD 4.32Å; V325-K329 PolarHBondContact O-N 3.37Å; P326-K329 PolarHBondContact O-N 2.87Å; K329-Y331 VanDerWaalsContact C-N 3.33Å; K329-Y331 PolarHBondContact O-N 2.7Å; K329-S332 PolarHBondContact O-N 3.25Å
330K93.7Very high95Very high80 Ų8027.5 Ų27.535%0.34813%0.131SC..Hα-helixtrans-55.5-42-179.5-178.9179.1176.5-173.60113.5P326 E360P326-K330 WeakPolarHBondContact O-CB 3.49Å; P326-K330 PolarHBondContact O-N 3.14Å; K330-E360 IonicContact NZ-OE1 3.07Å; K330-E360 PolarHBondContact NZ-OE1 3.14Å; K330-E360 IonicContact NZ-OE2 3.22Å; K330-E360 PolarHBondContact NZ-OE2 2.95Å
331Y93.5Very high94.7Very high10 Ų1028.1 Ų28.14%0.03913%0.133CC..Hα-helixtrans-101.61.9-177.2-64.5-63.7000114.5F327 K329 I333 K352 Q354 S356 F357 E360F327-Y331 AromaticContact CD2-CD2 3.5Å; F327-Y331 HydrophobicContact CD2-CD2 3.5Å; F327-Y331 VanDerWaalsContact CD2-CD2 3.5Å; F327-Y331 AromaticContact CD2-CE2 3.58Å; F327-Y331 HydrophobicContact CD2-CE2 3.58Å; F327-Y331 AromaticContact CE2-CD2 3.46Å; F327-Y331 HydrophobicContact CE2-CD2 3.46Å; F327-Y331 VanDerWaalsContact CE2-CD2 3.46Å; F327-Y331 AromaticContact CE2-CE2 3.62Å; F327-Y331 HydrophobicContact CE2-CE2 3.62Å; F327-Y331 HydrophobicContact CG-CD2 4.23Å; F327-Y331 HydrophobicContact CZ-CD2 4.18Å; F327-Y331 WeakPolarHBondContact O-CD2 3.48Å; F327-Y331 PolarHBondContact O-N 3.32Å; K329-Y331 VanDerWaalsContact C-N 3.33Å; K329-Y331 PolarHBondContact O-N 2.7Å; Y331-I333 PolarHBondContact O-N 3.49Å; Y331-I333 VanDerWaalsContact O-N 3.15Å; Y331-K352 PolarHBondContact O-NZ 3.37Å; Y331-Q354 HydrophobicContact CD1-CB 4.16Å; Y331-Q354 HydrophobicContact CD1-CG 4.33Å; Y331-Q354 HydrophobicContact CE1-CB 3.77Å; Y331-Q354 HydrophobicContact CE1-CG 4.22Å; Y331-S356 PolarHBondContact OH-OG 2.87Å; Y331-F357 HydrophobicContact CD1-CB 4.14Å; Y331-F357 AromaticContact CD1-CD2 3.58Å; Y331-F357 HydrophobicContact CD1-CD2 3.58Å; Y331-F357 HydrophobicContact CD1-CE2 4.45Å; Y331-F357 HydrophobicContact CD1-CG 4.27Å; Y331-F357 AromaticContact CD2-CD2 4Å; Y331-F357 HydrophobicContact CD2-CD2 4Å; Y331-F357 HydrophobicContact CD2-CE2 4.47Å; Y331-F357 HydrophobicContact CE1-CB 3.89Å; Y331-F357 HydrophobicContact CE1-CD2 4Å; Y331-F357 HydrophobicContact CE1-CG 4.44Å; Y331-F357 HydrophobicContact CE2-CD2 4.38Å; Y331-F357 AromaticContact CG-CD2 3.58Å; Y331-F357 HydrophobicContact CG-CD2 3.58Å; Y331-F357 HydrophobicContact CG-CE2 4.08Å; Y331-E360 HydrophobicContact CE2-CB 4.07Å; Y331-E360 WeakPolarHBondContact CE2-OE2 3.39Å; Y331-E360 VanDerWaalsContact CZ-OE2 3.29Å; Y331-E360 PolarHBondContact OH-OE1 2.84Å; Y331-E360 VanDerWaalsContact OH-OE1 3.04Å; Y331-E360 PolarHBondContact OH-OE2 3.29Å
332S93Very high94.5Very high79 Ų7929.1 Ų29.155%0.55214%0.138SC*.THydrogen-bonded Turntrans4449.5-176.6-45.70000111.8C328 K329 K352C328-S332 WeakPolarHBondContact O-CA 3.32Å; C328-S332 PolarHBondContact O-N 2.87Å; K329-S332 PolarHBondContact O-N 3.25Å; S332-K352 PolarHBondContact O-NZ 3.43Å; S332-K352 VanDerWaalsContact O-NZ 3.09Å
333I92.6Very high94.1Very high1 Ų128.6 Ų28.61%0.00515%0.147CC..  trans-80.5147.9179.454.7150.9000110.8W324 F327 C328 Y331 R336 Y341 F357W324-I333 HydrophobicContact CH2-CD1 3.32Å; W324-I333 HydrophobicContact CZ2-CD1 3.76Å; W324-I333 HydrophobicContact CZ3-CD1 4Å; F327-I333 HydrophobicContact CD1-CD1 3.97Å; F327-I333 HydrophobicContact CE1-CD1 3.58Å; F327-I333 HydrophobicContact CE1-CG1 4.36Å; C328-I333 HydrophobicContact CB-CG1 4.35Å; C328-I333 PolarHBondContact O-N 2.88Å; C328-I333 VanDerWaalsContact SG-CD1 3.59Å; Y331-I333 PolarHBondContact O-N 3.49Å; Y331-I333 VanDerWaalsContact O-N 3.15Å; I333-R336 WeakPolarHBondContact O-CD 2.95Å; I333-R336 PolarHBondContact O-NE 3.21Å; I333-R336 PolarHBondContact O-NH1 3.44Å; I333-R336 VanDerWaalsContact O-NH1 3.13Å; I333-Y341 HydrophobicContact CB-CE2 4.01Å; I333-Y341 HydrophobicContact CD1-CD1 4.12Å; I333-Y341 HydrophobicContact CD1-CD2 4.39Å; I333-Y341 HydrophobicContact CD1-CE1 3.93Å; I333-Y341 HydrophobicContact CD1-CE2 4.25Å; I333-Y341 HydrophobicContact CD1-CG 4.32Å; I333-Y341 HydrophobicContact CG2-CE2 4.27Å; I333-F357 HydrophobicContact CG2-CE2 3.98Å; I333-F357 HydrophobicContact CG2-CZ 4.38Å
334E91.6Very high93.4Very high53 Ų5328.8 Ų28.825%0.24815%0.151CC..SBendtrans-145.2143.8175-64-162.4143.900110.9S478 R704E334-S478 PolarHBondContact OE1-N 2.93Å; E334-S478 PolarHBondContact OE1-OG 3.15Å; E334-R704 VanDerWaalsContact CB-CZ 3.41Å; E334-R704 WeakPolarHBondContact OE2-CD 3.18Å; E334-R704 IonicContact OE2-CZ 2.77Å; E334-R704 VanDerWaalsContact OE2-CZ 3.26Å; E334-R704 IonicContact OE2-NE 3.8Å; E334-R704 PolarHBondContact OE2-NE 2.69Å; E334-R704 IonicContact OE2-NH1 3.47Å; E334-R704 PolarHBondContact OE2-NH1 2.72Å
335P94Very high92.7Very high3 Ų338.2 Ų38.22%0.01919%0.192CC..SBendcis-68.5164.61.429.1-34.7000112.9F340 L344 Y474 R704P335-F340 HydrophobicContact CG-CB 4.16Å; P335-L344 VanDerWaalsContact CD-CD1 3.49Å; P335-L344 HydrophobicContact CG-CD1 4.1Å; P335-Y474 HydrophobicContact CB-CE2 3.77Å; P335-Y474 HydrophobicContact CG-CE2 4.48Å; P335-R704 VanDerWaalsContact N-NH2 3.17Å
336R94.3Very high91.8Very high8 Ų843.1 Ų43.13%0.0322%0.217CC..SBendtrans-82.3-15-178.5-56.8-57.3179.5153.58.6113.5A289 W324 C328 I333 S478A289-R336 HydrophobicContact CB-CB 4.25Å; W324-R336 WeakPolarHBondContact CZ2-O 3.18Å; W324-R336 PolarHBondContact NE1-O 3.35Å; C328-R336 VanDerWaalsContact C-NH1 3.31Å; C328-R336 PolarHBondContact O-NH1 3.24Å; I333-R336 WeakPolarHBondContact O-CD 2.95Å; I333-R336 PolarHBondContact O-NE 3.21Å; I333-R336 PolarHBondContact O-NH1 3.44Å; I333-R336 VanDerWaalsContact O-NH1 3.13Å; R336-S478 PolarHBondContact NE-OG 2.93Å; R336-S478 PolarHBondContact NH2-OG 2.91Å
337A96Very high91.1Very high0 Ų047.3 Ų47.30%024%0.238CC..SBendtrans-80120.7173.600000110.6N282 F340 Y341 Y474N282-A337 HydrophobicContact CB-CB 4.31Å; A337-F340 HydrophobicContact CB-CB 4.42Å; A337-F340 HydrophobicContact CB-CD2 3.73Å; A337-F340 PolarHBondContact O-N 3.43Å; A337-Y341 WeakPolarHBondContact O-CB 3.49Å; A337-Y341 PolarHBondContact O-N 3.45Å; A337-Y474 HydrophobicContact CB-CD1 4.49Å; A337-Y474 HydrophobicContact CB-CD2 3.52Å; A337-Y474 HydrophobicContact CB-CE2 4.11Å; A337-Y474 HydrophobicContact CB-CG 3.75Å
338P96.1Very high90.3Very high0 Ų051.7 Ų51.70%026%0.255CS..Hα-helixtrans-65.3-39.6-172.723.4-33.3000114.3N282 L285 F320 W324 F340 Y341 F342 Y368N282-P338 WeakPolarHBondContact OD1-CD 3.48Å; N282-P338 VanDerWaalsContact OD1-CG 3.29Å; N282-P338 WeakPolarHBondContact OD1-CG 3.39Å; L285-P338 HydrophobicContact CD1-CG 3.85Å; F320-P338 HydrophobicContact CE1-CG 4.23Å; W324-P338 HydrophobicContact CD2-CB 4.32Å; W324-P338 HydrophobicContact CE3-CB 4.44Å; W324-P338 HydrophobicContact CH2-CB 3.93Å; W324-P338 HydrophobicContact CZ2-CB 3.77Å; W324-P338 HydrophobicContact CZ2-CG 4.44Å; W324-P338 HydrophobicContact CZ3-CB 4.26Å; P338-F340 VanDerWaalsContact C-N 3.34Å; P338-F340 PolarHBondContact O-N 3.47Å; P338-Y341 PolarHBondContact O-N 2.94Å; P338-F342 HydrophobicContact CB-CD2 4.15Å; P338-F342 HydrophobicContact CB-CE2 4.14Å; P338-F342 WeakPolarHBondContact O-CB 3.25Å; P338-F342 WeakPolarHBondContact O-CD2 3.47Å; P338-F342 PolarHBondContact O-N 3.37Å; P338-Y368 HydrophobicContact CB-CD1 4.36Å; P338-Y368 HydrophobicContact CB-CD2 3.67Å; P338-Y368 HydrophobicContact CB-CE1 4.24Å; P338-Y368 HydrophobicContact CB-CE2 3.55Å; P338-Y368 HydrophobicContact CB-CG 4.1Å; P338-Y368 HydrophobicContact CG-CD2 3.88Å; P338-Y368 HydrophobicContact CG-CE2 3.42Å; P338-Y368 VanDerWaalsContact CG-CE2 3.42Å
339E94Very high89.6Confident42 Ų4255.5 Ų55.520%0.19628%0.275CS..Hα-helixtrans-56.8-50.8177.6-170.560.4-152.800110.7N282 S343 Y368 K372N282-E339 VanDerWaalsContact OD1-CB 3.24Å; N282-E339 WeakPolarHBondContact OD1-CB 3.21Å; N282-E339 PolarHBondContact OD1-N 3.22Å; E339-S343 VanDerWaalsContact O-CB 3.28Å; E339-S343 WeakPolarHBondContact O-CB 3.38Å; E339-S343 PolarHBondContact O-N 2.91Å; E339-S343 VanDerWaalsContact O-N 3.11Å; E339-S343 PolarHBondContact O-OG 2.88Å; E339-Y368 WeakPolarHBondContact CA-OH 3.28Å; E339-Y368 VanDerWaalsContact CB-OH 3.23Å; E339-Y368 WeakPolarHBondContact CB-OH 3.43Å; E339-Y368 PolarHBondContact N-OH 3.02Å; E339-Y368 WeakPolarHBondContact OE2-CE1 3.48Å; E339-Y368 PolarHBondContact OE2-OH 3.46Å; E339-K372 IonicContact OE1-NZ 3.66Å; E339-K372 PolarHBondContact OE1-NZ 2.95Å; E339-K372 WeakPolarHBondContact OE2-CD 3.48Å; E339-K372 VanDerWaalsContact OE2-CE 3.3Å; E339-K372 WeakPolarHBondContact OE2-CE 3.35Å; E339-K372 IonicContact OE2-NZ 2.72Å; E339-K372 PolarHBondContact OE2-NZ 3.03Å
340F90.5Very high89Confident38 Ų3860.3 Ų60.317%0.16729%0.291CS..Hα-helixtrans-70-35.1179.9-62.1-71.9000111.7P335 A337 P338 S343 L344 Y474P335-F340 HydrophobicContact CG-CB 4.16Å; A337-F340 HydrophobicContact CB-CB 4.42Å; A337-F340 HydrophobicContact CB-CD2 3.73Å; A337-F340 PolarHBondContact O-N 3.43Å; P338-F340 VanDerWaalsContact C-N 3.34Å; P338-F340 PolarHBondContact O-N 3.47Å; F340-S343 WeakPolarHBondContact CA-OG 3.34Å; F340-S343 PolarHBondContact O-OG 2.92Å; F340-S343 VanDerWaalsContact O-OG 3.12Å; F340-L344 VanDerWaalsContact O-CG 3.27Å; F340-L344 WeakPolarHBondContact O-CG 3.47Å; F340-L344 PolarHBondContact O-N 3.21Å; F340-Y474 HydrophobicContact CB-CE1 4.34Å; F340-Y474 HydrophobicContact CB-CE2 4.35Å; F340-Y474 AromaticContact CD1-CE1 3.99Å; F340-Y474 HydrophobicContact CD1-CE1 3.99Å; F340-Y474 AromaticContact CD2-CD1 3.46Å; F340-Y474 HydrophobicContact CD2-CD1 3.46Å; F340-Y474 VanDerWaalsContact CD2-CD1 3.46Å; F340-Y474 HydrophobicContact CD2-CD2 4.39Å; F340-Y474 AromaticContact CD2-CE1 3.26Å; F340-Y474 HydrophobicContact CD2-CE1 3.26Å; F340-Y474 HydrophobicContact CD2-CE2 4.23Å; F340-Y474 HydrophobicContact CD2-CG 4.05Å; F340-Y474 AromaticContact CD2-CZ 3.68Å; F340-Y474 HydrophobicContact CE1-CE1 4.07Å; F340-Y474 AromaticContact CE2-CD1 3.33Å; F340-Y474 HydrophobicContact CE2-CD1 3.33Å; F340-Y474 AromaticContact CE2-CE1 3.36Å; F340-Y474 HydrophobicContact CE2-CE1 3.36Å; F340-Y474 HydrophobicContact CE2-CG 4.2Å; F340-Y474 HydrophobicContact CG-CD1 4.27Å; F340-Y474 AromaticContact CG-CE1 3.59Å; F340-Y474 HydrophobicContact CG-CE1 3.59Å; F340-Y474 HydrophobicContact CG-CE2 4.41Å; F340-Y474 AromaticContact CG-CZ 3.67Å; F340-Y474 HydrophobicContact CZ-CD1 4.04Å; F340-Y474 AromaticContact CZ-CE1 3.77Å; F340-Y474 HydrophobicContact CZ-CE1 3.77Å
341Y92.8Very high88.3Confident17 Ų1762.7 Ų62.77%0.06731%0.308CS..Hα-helixtrans-66.4-46.6176.2171.2-106.3000112.8W324 I333 A337 P338 R361W324-Y341 AromaticContact CH2-CD1 3.82Å; W324-Y341 HydrophobicContact CH2-CD1 3.82Å; W324-Y341 HydrophobicContact CH2-CE1 4.36Å; W324-Y341 HydrophobicContact CH2-CG 4.4Å; I333-Y341 HydrophobicContact CB-CE2 4.01Å; I333-Y341 HydrophobicContact CD1-CD1 4.12Å; I333-Y341 HydrophobicContact CD1-CD2 4.39Å; I333-Y341 HydrophobicContact CD1-CE1 3.93Å; I333-Y341 HydrophobicContact CD1-CE2 4.25Å; I333-Y341 HydrophobicContact CD1-CG 4.32Å; I333-Y341 HydrophobicContact CG2-CE2 4.27Å; A337-Y341 WeakPolarHBondContact O-CB 3.49Å; A337-Y341 PolarHBondContact O-N 3.45Å; P338-Y341 PolarHBondContact O-N 2.94Å; Y341-R361 PolarHBondContact OH-NE 2.75Å
342F92.9Very high87.7Confident21 Ų2165.4 Ų65.49%0.09232%0.32CS..Hα-helixtrans-78-21.2-176.1-71.9-61.4000113.7W324 P338 R361 M364 K365 Y368W324-F342 HydrophobicContact CH2-CE2 4.06Å; W324-F342 HydrophobicContact CH2-CZ 4.33Å; W324-F342 AromaticContact CZ3-CE2 3.76Å; W324-F342 HydrophobicContact CZ3-CE2 3.76Å; W324-F342 AromaticContact CZ3-CZ 3.87Å; W324-F342 HydrophobicContact CZ3-CZ 3.87Å; P338-F342 HydrophobicContact CB-CD2 4.15Å; P338-F342 HydrophobicContact CB-CE2 4.14Å; P338-F342 WeakPolarHBondContact O-CB 3.25Å; P338-F342 WeakPolarHBondContact O-CD2 3.47Å; P338-F342 PolarHBondContact O-N 3.37Å; F342-R361 HydrophobicContact CE1-CG 4.41Å; F342-M364 HydrophobicContact CZ-CG 4.28Å; F342-K365 HydrophobicContact CD1-CB 4.16Å; F342-K365 HydrophobicContact CD1-CD 4.12Å; F342-K365 HydrophobicContact CD1-CG 4.01Å; F342-K365 HydrophobicContact CE1-CB 3.7Å; F342-K365 HydrophobicContact CE1-CD 4.49Å; F342-K365 HydrophobicContact CE1-CG 4.08Å; F342-K365 HydrophobicContact CG-CG 4.45Å; F342-K365 HydrophobicContact CZ-CB 4.06Å; F342-Y368 AromaticContact CD2-CD1 3.53Å; F342-Y368 HydrophobicContact CD2-CD1 3.53Å; F342-Y368 HydrophobicContact CD2-CE1 4.12Å; F342-Y368 HydrophobicContact CD2-CG 4.03Å; F342-Y368 AromaticContact CE2-CD1 3.99Å; F342-Y368 HydrophobicContact CE2-CD1 3.99Å; F342-Y368 HydrophobicContact CE2-CG 4.01Å; F342-Y368 HydrophobicContact CG-CD1 4.48Å
343S87.9Confident87.2Confident71 Ų7168.2 Ų68.250%0.49733%0.333SS..Hα-helixtrans-80.9-17.4174.856.10000114E339 F340 K345E339-S343 VanDerWaalsContact O-CB 3.28Å; E339-S343 WeakPolarHBondContact O-CB 3.38Å; E339-S343 PolarHBondContact O-N 2.91Å; E339-S343 VanDerWaalsContact O-N 3.11Å; E339-S343 PolarHBondContact O-OG 2.88Å; F340-S343 WeakPolarHBondContact CA-OG 3.34Å; F340-S343 PolarHBondContact O-OG 2.92Å; F340-S343 VanDerWaalsContact O-OG 3.12Å; S343-K345 PolarHBondContact O-N 3.44Å
344L84.2Confident86.8Confident79 Ų7972.2 Ų72.241%0.41435%0.352SS..  trans-62.6121.3177.6-78.2166.7000111.6P335 F340 I346P335-L344 VanDerWaalsContact CD-CD1 3.49Å; P335-L344 HydrophobicContact CG-CD1 4.1Å; F340-L344 VanDerWaalsContact O-CG 3.27Å; F340-L344 WeakPolarHBondContact O-CG 3.47Å; F340-L344 PolarHBondContact O-N 3.21Å; L344-I346 HydrophobicContact CD2-CD1 4.08Å; L344-I346 PolarHBondContact O-N 2.83Å
345K81Confident86.4Confident198 Ų19875.8 Ų75.886%0.86138%0.38SS*.  trans-81.739.6173.6-59.2-176.9-177.4177.10112.3S343S343-K345 PolarHBondContact O-N 3.44Å
346I77.9Confident86.3Confident110 Ų11077.4 Ų77.456%0.56439%0.391SS*.SBendtrans-104.7151.9179.1-58.9177.5000108.9L344 Y348L344-I346 HydrophobicContact CD2-CD1 4.08Å; L344-I346 PolarHBondContact O-N 2.83Å; I346-Y348 PolarHBondContact O-N 3.45Å
347D81.5Confident86.2Confident102 Ų10277.1 Ų77.155%0.54539%0.39SS..  trans-60.2106.8169.9-174.51.2000110.5L349 R350D347-L349 VanDerWaalsContact C-N 3.29Å; D347-L349 PolarHBondContact O-N 3.34Å; D347-L349 WeakPolarHBondContact OD1-CB 3.28Å; D347-L349 PolarHBondContact OD1-N 3.38Å; D347-R350 WeakPolarHBondContact O-CB 3.49Å
348Y80.1Confident85.8Confident103 Ų10379.8 Ų79.840%0.40441%0.406SS..THydrogen-bonded Turntrans-80.3-8.6-177.856.1-94.5000113.2I346 F357 R361I346-Y348 PolarHBondContact O-N 3.45Å; Y348-F357 HydrophobicContact CD2-CE1 4.36Å; Y348-F357 VanDerWaalsContact O-CE1 3.29Å; Y348-F357 WeakPolarHBondContact O-CE1 3.37Å; Y348-R361 VanDerWaalsContact CD2-CZ 3.49Å
349L80.9Confident85.7Confident79 Ų7987.5 Ų87.541%0.41444%0.44SS..THydrogen-bonded Turntrans-87.3-12.9176-63.9175.7000112.6D347 D351 K352 F357 V358D347-L349 VanDerWaalsContact C-N 3.29Å; D347-L349 PolarHBondContact O-N 3.34Å; D347-L349 WeakPolarHBondContact OD1-CB 3.28Å; D347-L349 PolarHBondContact OD1-N 3.38Å; L349-D351 PolarHBondContact O-N 3.48Å; L349-K352 PolarHBondContact O-N 3.01Å; L349-K352 VanDerWaalsContact O-N 3.17Å; L349-F357 HydrophobicContact CD2-CD1 4.18Å; L349-F357 HydrophobicContact CD2-CE1 4.26Å; L349-V358 HydrophobicContact CD2-CG2 3.62Å
350R79.9Confident85.7Confident172 Ų17288.5 Ų88.565%0.64945%0.445SS*.THydrogen-bonded Turntrans-57129.6179.2-171.8-173.5145.8171.4-1.2110.7D347 K352D347-R350 WeakPolarHBondContact O-CB 3.49Å; R350-K352 PolarHBondContact O-N 3.39Å; R350-K352 VanDerWaalsContact O-N 3.17Å
351D79.7Confident85.9Confident130 Ų13087.9 Ų87.970%0.69544%0.441SS*.THydrogen-bonded Turntrans6216.6177.9-49.2-37.3000114.5L349L349-D351 PolarHBondContact O-N 3.48Å
352K81.9Confident85.8Confident68 Ų6893.8 Ų93.830%0.29646%0.463SS..  trans-101.2108.7176.7-58.2-55.9179.2-169.80111.1Y331 S332 L349 R350 F357Y331-K352 PolarHBondContact O-NZ 3.37Å; S332-K352 PolarHBondContact O-NZ 3.43Å; S332-K352 VanDerWaalsContact O-NZ 3.09Å; L349-K352 PolarHBondContact O-N 3.01Å; L349-K352 VanDerWaalsContact O-N 3.17Å; R350-K352 PolarHBondContact O-N 3.39Å; R350-K352 VanDerWaalsContact O-N 3.17Å; K352-F357 HydrophobicContact CB-CD1 3.85Å; K352-F357 HydrophobicContact CB-CE1 4.06Å; K352-F357 HydrophobicContact CB-CG 4.36Å; K352-F357 HydrophobicContact CD-CZ 4.37Å; K352-F357 HydrophobicContact CG-CD1 3.97Å; K352-F357 HydrophobicContact CG-CE1 3.67Å; K352-F357 HydrophobicContact CG-CZ 3.95Å
353V82.4Confident86Confident138 Ų13894.9 Ų94.984%0.83648%0.476SS*.  trans-91.5-15.2-178.3-62.60000114
354Q83.2Confident86.4Confident84 Ų8492.4 Ų92.439%0.39346%0.457SS..  trans-78.4127.5-172.5-66.9-136.48.200112.5Y331 S356 F357Y331-Q354 HydrophobicContact CD1-CB 4.16Å; Y331-Q354 HydrophobicContact CD1-CG 4.33Å; Y331-Q354 HydrophobicContact CE1-CB 3.77Å; Y331-Q354 HydrophobicContact CE1-CG 4.22Å; Q354-S356 PolarHBondContact O-N 3Å; Q354-F357 HydrophobicContact CB-CB 4.42Å; Q354-F357 VanDerWaalsContact O-CB 3.25Å; Q354-F357 WeakPolarHBondContact O-CB 3.37Å; Q354-F357 PolarHBondContact O-N 3.27Å
355P83.7Confident86.9Confident129 Ų12992.6 Ų92.684%0.83845%0.454SS*.THydrogen-bonded Turntrans-68.6-31.6-172.925.8-33.8000113.4F357P355-F357 VanDerWaalsContact C-N 3.28Å; P355-F357 PolarHBondContact O-N 3.48Å
356S91.2Very high87.7Confident37 Ų3790.4 Ų90.426%0.25944%0.441SS..THydrogen-bonded Turntrans-76-13.1178.953.90000113.7Y331 Q354 V358 K359 E360Y331-S356 PolarHBondContact OH-OG 2.87Å; Q354-S356 PolarHBondContact O-N 3Å; S356-V358 VanDerWaalsContact C-N 3.33Å; S356-V358 PolarHBondContact O-N 3.1Å; S356-K359 PolarHBondContact O-N 3.43Å; S356-K359 VanDerWaalsContact O-N 3.07Å; S356-E360 PolarHBondContact O-N 3.34Å
357F91.7Very high88.6Confident2 Ų287.1 Ų87.11%0.00942%0.424CS..Hα-helixtrans-55.5-44.5-170.6175.8-113.1000112.9F327 Y331 I333 Y348 L349 K352 Q354 P355 K359 E360 R361F327-F357 HydrophobicContact CZ-CE2 4.32Å; Y331-F357 HydrophobicContact CD1-CB 4.14Å; Y331-F357 AromaticContact CD1-CD2 3.58Å; Y331-F357 HydrophobicContact CD1-CD2 3.58Å; Y331-F357 HydrophobicContact CD1-CE2 4.45Å; Y331-F357 HydrophobicContact CD1-CG 4.27Å; Y331-F357 AromaticContact CD2-CD2 4Å; Y331-F357 HydrophobicContact CD2-CD2 4Å; Y331-F357 HydrophobicContact CD2-CE2 4.47Å; Y331-F357 HydrophobicContact CE1-CB 3.89Å; Y331-F357 HydrophobicContact CE1-CD2 4Å; Y331-F357 HydrophobicContact CE1-CG 4.44Å; Y331-F357 HydrophobicContact CE2-CD2 4.38Å; Y331-F357 AromaticContact CG-CD2 3.58Å; Y331-F357 HydrophobicContact CG-CD2 3.58Å; Y331-F357 HydrophobicContact CG-CE2 4.08Å; I333-F357 HydrophobicContact CG2-CE2 3.98Å; I333-F357 HydrophobicContact CG2-CZ 4.38Å; Y348-F357 HydrophobicContact CD2-CE1 4.36Å; Y348-F357 VanDerWaalsContact O-CE1 3.29Å; Y348-F357 WeakPolarHBondContact O-CE1 3.37Å; L349-F357 HydrophobicContact CD2-CD1 4.18Å; L349-F357 HydrophobicContact CD2-CE1 4.26Å; K352-F357 HydrophobicContact CB-CD1 3.85Å; K352-F357 HydrophobicContact CB-CE1 4.06Å; K352-F357 HydrophobicContact CB-CG 4.36Å; K352-F357 HydrophobicContact CD-CZ 4.37Å; K352-F357 HydrophobicContact CG-CD1 3.97Å; K352-F357 HydrophobicContact CG-CE1 3.67Å; K352-F357 HydrophobicContact CG-CZ 3.95Å; Q354-F357 HydrophobicContact CB-CB 4.42Å; Q354-F357 VanDerWaalsContact O-CB 3.25Å; Q354-F357 WeakPolarHBondContact O-CB 3.37Å; Q354-F357 PolarHBondContact O-N 3.27Å; P355-F357 VanDerWaalsContact C-N 3.28Å; P355-F357 PolarHBondContact O-N 3.48Å; F357-K359 VanDerWaalsContact C-N 3.3Å; F357-K359 PolarHBondContact O-N 2.82Å; F357-E360 PolarHBondContact O-N 3.29Å; F357-R361 HydrophobicContact CE2-CB 4.27Å; F357-R361 HydrophobicContact CZ-CB 4.39Å; F357-R361 HydrophobicContact CZ-CG 4.46Å; F357-R361 WeakPolarHBondContact O-CB 3.46Å; F357-R361 PolarHBondContact O-N 2.74Å
358V89Confident89.4Confident56 Ų5682.3 Ų82.334%0.33940%0.398SS..Hα-helixtrans-65.6-34.6-177.6-172.80000112.2L349 S356 R362L349-V358 HydrophobicContact CD2-CG2 3.62Å; S356-V358 VanDerWaalsContact C-N 3.33Å; S356-V358 PolarHBondContact O-N 3.1Å; V358-R362 WeakPolarHBondContact O-CG 3.48Å; V358-R362 PolarHBondContact O-N 3.47Å; V358-R362 PolarHBondContact O-NE 2.9Å
359K92.7Very high90.2Very high162 Ų16281.1 Ų81.170%0.70440%0.397SS*.Hα-helixtrans-73.4-51.3177.6-178.5-176.9173.6-174.60110.2S356 F357 R362 A363S356-K359 PolarHBondContact O-N 3.43Å; S356-K359 VanDerWaalsContact O-N 3.07Å; F357-K359 VanDerWaalsContact C-N 3.3Å; F357-K359 PolarHBondContact O-N 2.82Å; K359-R362 PolarHBondContact O-N 3.48Å; K359-A363 PolarHBondContact O-N 3.27Å; K359-A363 VanDerWaalsContact O-N 3.09Å
360E94.6Very high91Very high63 Ų6382.2 Ų82.229%0.29440%0.4SS..Hα-helixtrans-67.2-39.2-177.4-71.9-177.6-144.400112.1F327 K330 Y331 S356 F357 R362 A363 M364F327-E360 HydrophobicContact CD2-CB 4.44Å; F327-E360 HydrophobicContact CE2-CB 4.24Å; K330-E360 IonicContact NZ-OE1 3.07Å; K330-E360 PolarHBondContact NZ-OE1 3.14Å; K330-E360 IonicContact NZ-OE2 3.22Å; K330-E360 PolarHBondContact NZ-OE2 2.95Å; Y331-E360 HydrophobicContact CE2-CB 4.07Å; Y331-E360 WeakPolarHBondContact CE2-OE2 3.39Å; Y331-E360 VanDerWaalsContact CZ-OE2 3.29Å; Y331-E360 PolarHBondContact OH-OE1 2.84Å; Y331-E360 VanDerWaalsContact OH-OE1 3.04Å; Y331-E360 PolarHBondContact OH-OE2 3.29Å; S356-E360 PolarHBondContact O-N 3.34Å; F357-E360 PolarHBondContact O-N 3.29Å; E360-R362 VanDerWaalsContact C-N 3.32Å; E360-R362 PolarHBondContact O-N 3.3Å; E360-A363 PolarHBondContact O-N 3.29Å; E360-M364 WeakPolarHBondContact O-CB 3.47Å; E360-M364 PolarHBondContact O-N 3.27Å
361R94.1Very high91.8Very high24 Ų2474 Ų749%0.09137%0.369CS..Hα-helixtrans-60.2-40.6174.1-178.6-179.8179-86.4-1.8112.1F327 Y341 F342 Y348 F357 K365F327-R361 HydrophobicContact CE2-CB 4.32Å; F327-R361 HydrophobicContact CZ-CB 4.01Å; F327-R361 HydrophobicContact CZ-CG 4.3Å; Y341-R361 PolarHBondContact OH-NE 2.75Å; F342-R361 HydrophobicContact CE1-CG 4.41Å; Y348-R361 VanDerWaalsContact CD2-CZ 3.49Å; F357-R361 HydrophobicContact CE2-CB 4.27Å; F357-R361 HydrophobicContact CZ-CB 4.39Å; F357-R361 HydrophobicContact CZ-CG 4.46Å; F357-R361 WeakPolarHBondContact O-CB 3.46Å; F357-R361 PolarHBondContact O-N 2.74Å; R361-K365 WeakPolarHBondContact O-CB 3.49Å; R361-K365 PolarHBondContact O-N 3.48Å
362R92.1Very high92.6Very high141 Ų14169.5 Ų69.553%0.53234%0.343SS..Hα-helixtrans-67.3-39.5177.3-81.4-175-74.8173.8-6.1112V358 K359 E360 R366V358-R362 WeakPolarHBondContact O-CG 3.48Å; V358-R362 PolarHBondContact O-N 3.47Å; V358-R362 PolarHBondContact O-NE 2.9Å; K359-R362 PolarHBondContact O-N 3.48Å; E360-R362 VanDerWaalsContact C-N 3.32Å; E360-R362 PolarHBondContact O-N 3.3Å; R362-R366 WeakPolarHBondContact O-CG 3.15Å; R362-R366 PolarHBondContact O-N 2.98Å
363A95.5Very high93.3Very high44 Ų4471.8 Ų71.836%0.36436%0.357SS..Hα-helixtrans-63.4-51.5173.400000110.6K359 E360 K365 R366 D367K359-A363 PolarHBondContact O-N 3.27Å; K359-A363 VanDerWaalsContact O-N 3.09Å; E360-A363 PolarHBondContact O-N 3.29Å; A363-K365 VanDerWaalsContact C-N 3.27Å; A363-K365 PolarHBondContact O-N 2.8Å; A363-R366 WeakPolarHBondContact O-CB 3.48Å; A363-R366 PolarHBondContact O-N 3.4Å; A363-D367 PolarHBondContact O-N 3.19Å
364M96.8Very high94Very high19 Ų1969.6 Ų69.69%0.09433%0.334CS..Hα-helixtrans-58.9-36.8179.3-170.454.962.500113F320 K323 W324 F327 F342 E360 R366 D367 Y368F320-M364 HydrophobicContact CE2-SD 4.22Å; F320-M364 HydrophobicContact CZ-SD 4.16Å; K323-M364 HydrophobicContact CB-CE 4.01Å; K323-M364 HydrophobicContact CB-SD 4.45Å; K323-M364 WeakPolarHBondContact O-CE 3.15Å; W324-M364 HydrophobicContact CE3-CG 3.65Å; W324-M364 HydrophobicContact CE3-SD 3.91Å; W324-M364 HydrophobicContact CZ3-CG 3.74Å; F327-M364 HydrophobicContact CB-CE 3.68Å; F327-M364 HydrophobicContact CD1-CB 4.35Å; F327-M364 HydrophobicContact CD1-CG 3.77Å; F327-M364 HydrophobicContact CD2-CB 4.27Å; F327-M364 HydrophobicContact CD2-CE 4.44Å; F327-M364 HydrophobicContact CD2-CG 4.44Å; F327-M364 HydrophobicContact CE1-CB 4.28Å; F327-M364 HydrophobicContact CE1-CG 3.98Å; F327-M364 HydrophobicContact CE2-CB 4.23Å; F327-M364 HydrophobicContact CG-CB 4.35Å; F327-M364 HydrophobicContact CG-CE 3.99Å; F327-M364 HydrophobicContact CG-CG 4.02Å; F327-M364 HydrophobicContact CZ-CB 4.24Å; F327-M364 HydrophobicContact CZ-CG 4.44Å; F342-M364 HydrophobicContact CZ-CG 4.28Å; E360-M364 WeakPolarHBondContact O-CB 3.47Å; E360-M364 PolarHBondContact O-N 3.27Å; M364-R366 VanDerWaalsContact C-N 3.34Å; M364-R366 PolarHBondContact O-N 2.99Å; M364-D367 PolarHBondContact O-N 2.89Å; M364-Y368 WeakPolarHBondContact O-CB 3.23Å; M364-Y368 PolarHBondContact O-N 3.46Å
365K95.4Very high94.6Very high83 Ų8365.6 Ų65.636%0.36132%0.315SS..Hα-helixtrans-61.2-42.7173.9-174.1172.2179.4174.30111.5F342 R361 A363 Y368 E369F342-K365 HydrophobicContact CD1-CB 4.16Å; F342-K365 HydrophobicContact CD1-CD 4.12Å; F342-K365 HydrophobicContact CD1-CG 4.01Å; F342-K365 HydrophobicContact CE1-CB 3.7Å; F342-K365 HydrophobicContact CE1-CD 4.49Å; F342-K365 HydrophobicContact CE1-CG 4.08Å; F342-K365 HydrophobicContact CG-CG 4.45Å; F342-K365 HydrophobicContact CZ-CB 4.06Å; R361-K365 WeakPolarHBondContact O-CB 3.49Å; R361-K365 PolarHBondContact O-N 3.48Å; A363-K365 VanDerWaalsContact C-N 3.27Å; A363-K365 PolarHBondContact O-N 2.8Å; K365-Y368 PolarHBondContact O-N 2.93Å; K365-E369 WeakPolarHBondContact O-CG 3.23Å; K365-E369 PolarHBondContact O-N 3.44Å
366R96.7Very high95.1Very high153 Ų15363.8 Ų63.858%0.57730%0.299SS*.Hα-helixtrans-64.9-47177.5-66.4-177.3-168104.8-5.6111.3R362 A363 M364 Y368 E369 E370R362-R366 WeakPolarHBondContact O-CG 3.15Å; R362-R366 PolarHBondContact O-N 2.98Å; A363-R366 WeakPolarHBondContact O-CB 3.48Å; A363-R366 PolarHBondContact O-N 3.4Å; M364-R366 VanDerWaalsContact C-N 3.34Å; M364-R366 PolarHBondContact O-N 2.99Å; R366-Y368 PolarHBondContact O-N 3Å; R366-E369 PolarHBondContact O-N 3.25Å; R366-E369 VanDerWaalsContact O-N 3.12Å; R366-E370 PolarHBondContact O-N 3.08Å
367D97.3Very high95.3Very high40 Ų4064.8 Ų64.821%0.21431%0.309CS..Hα-helixtrans-57-36.7176-75.438.1000111.8F320 K323 A363 M364 F371F320-D367 HydrophobicContact CE2-CB 4.28Å; K323-D367 VanDerWaalsContact CD-OD2 3.24Å; K323-D367 WeakPolarHBondContact CD-OD2 3.15Å; K323-D367 IonicContact NZ-OD2 3.58Å; K323-D367 PolarHBondContact NZ-OD2 3.04Å; A363-D367 PolarHBondContact O-N 3.19Å; M364-D367 PolarHBondContact O-N 2.89Å; D367-F371 WeakPolarHBondContact O-CB 3.22Å; D367-F371 PolarHBondContact O-N 3.22Å
368Y97.6Very high95.4Very high1 Ų166 Ų660%0.00432%0.315CS..Hα-helixtrans-69.3-43.1175.4-177.6-116000113.1N282 F320 P338 E339 F342 M364 K365 R366 E370 F371 K372N282-Y368 PolarHBondContact ND2-OH 3.05Å; F320-Y368 AromaticContact CE1-CD2 3.73Å; F320-Y368 HydrophobicContact CE1-CD2 3.73Å; F320-Y368 HydrophobicContact CE1-CE2 4.42Å; F320-Y368 HydrophobicContact CE2-CD2 4.37Å; F320-Y368 AromaticContact CZ-CD2 3.6Å; F320-Y368 HydrophobicContact CZ-CD2 3.6Å; F320-Y368 HydrophobicContact CZ-CG 4.18Å; P338-Y368 HydrophobicContact CB-CD1 4.36Å; P338-Y368 HydrophobicContact CB-CD2 3.67Å; P338-Y368 HydrophobicContact CB-CE1 4.24Å; P338-Y368 HydrophobicContact CB-CE2 3.55Å; P338-Y368 HydrophobicContact CB-CG 4.1Å; P338-Y368 HydrophobicContact CG-CD2 3.88Å; P338-Y368 HydrophobicContact CG-CE2 3.42Å; P338-Y368 VanDerWaalsContact CG-CE2 3.42Å; E339-Y368 WeakPolarHBondContact CA-OH 3.28Å; E339-Y368 VanDerWaalsContact CB-OH 3.23Å; E339-Y368 WeakPolarHBondContact CB-OH 3.43Å; E339-Y368 PolarHBondContact N-OH 3.02Å; E339-Y368 WeakPolarHBondContact OE2-CE1 3.48Å; E339-Y368 PolarHBondContact OE2-OH 3.46Å; F342-Y368 AromaticContact CD2-CD1 3.53Å; F342-Y368 HydrophobicContact CD2-CD1 3.53Å; F342-Y368 HydrophobicContact CD2-CE1 4.12Å; F342-Y368 HydrophobicContact CD2-CG 4.03Å; F342-Y368 AromaticContact CE2-CD1 3.99Å; F342-Y368 HydrophobicContact CE2-CD1 3.99Å; F342-Y368 HydrophobicContact CE2-CG 4.01Å; F342-Y368 HydrophobicContact CG-CD1 4.48Å; M364-Y368 WeakPolarHBondContact O-CB 3.23Å; M364-Y368 PolarHBondContact O-N 3.46Å; K365-Y368 PolarHBondContact O-N 2.93Å; R366-Y368 PolarHBondContact O-N 3Å; Y368-E370 VanDerWaalsContact C-N 3.31Å; Y368-E370 PolarHBondContact O-N 2.84Å; Y368-F371 AromaticContact CD2-CD1 3.91Å; Y368-F371 HydrophobicContact CD2-CD1 3.91Å; Y368-F371 AromaticContact CE2-CD1 3.77Å; Y368-F371 HydrophobicContact CE2-CD1 3.77Å; Y368-F371 HydrophobicContact CE2-CE1 4.15Å; Y368-F371 WeakPolarHBondContact O-CB 3.39Å; Y368-F371 PolarHBondContact O-N 3.24Å; Y368-K372 HydrophobicContact CD1-CD 4.15Å; Y368-K372 HydrophobicContact CE1-CD 3.54Å; Y368-K372 HydrophobicContact CE1-CG 4.01Å; Y368-K372 HydrophobicContact CE2-CG 4.24Å; Y368-K372 PolarHBondContact O-N 2.89Å
369E97.3Very high95.6Very high79 Ų7965 Ų6537%0.36931%0.309SS..Hα-helixtrans-63.1-38.6175.1-63.6-62.4167.400111.5K365 R366 K372 I373K365-E369 WeakPolarHBondContact O-CG 3.23Å; K365-E369 PolarHBondContact O-N 3.44Å; R366-E369 PolarHBondContact O-N 3.25Å; R366-E369 VanDerWaalsContact O-N 3.12Å; E369-K372 WeakPolarHBondContact O-CB 3.29Å; E369-K372 PolarHBondContact O-N 2.9Å; E369-I373 WeakPolarHBondContact O-CG1 3.34Å; E369-I373 PolarHBondContact O-N 3.34Å
370E97.2Very high95.7Very high102 Ų10259.9 Ų59.948%0.47730%0.297SS..Hα-helixtrans-63.4-41.1173-72179.6-171.500112.2R366 Y368 I373 R374R366-E370 PolarHBondContact O-N 3.08Å; Y368-E370 VanDerWaalsContact C-N 3.31Å; Y368-E370 PolarHBondContact O-N 2.84Å; E370-I373 PolarHBondContact O-N 3.35Å; E370-R374 PolarHBondContact O-N 3.26Å
371F97.6Very high95.5Very high0 Ų061.3 Ų61.30%030%0.303CS..Hα-helixtrans-59.6-44.9172.4166.6-100.9000111.6L278 A281 L285 E316 F320 D367 Y368 I373 R374 M375L278-F371 HydrophobicContact CD1-CE1 3.88Å; A281-F371 HydrophobicContact CB-CZ 4.04Å; L285-F371 HydrophobicContact CD1-CE1 4.46Å; E316-F371 HydrophobicContact CB-CE2 4.1Å; F320-F371 HydrophobicContact CB-CD2 3.66Å; F320-F371 HydrophobicContact CB-CE2 4.01Å; F320-F371 HydrophobicContact CB-CG 4.09Å; F320-F371 HydrophobicContact CD1-CD1 4.29Å; F320-F371 HydrophobicContact CD1-CG 4.29Å; F320-F371 HydrophobicContact CD2-CB 3.89Å; F320-F371 HydrophobicContact CD2-CG 4.16Å; F320-F371 HydrophobicContact CE2-CB 4.32Å; F320-F371 HydrophobicContact CG-CB 4.16Å; F320-F371 HydrophobicContact CG-CD1 4.36Å; F320-F371 HydrophobicContact CG-CD2 4.01Å; F320-F371 AromaticContact CG-CG 3.9Å; F320-F371 HydrophobicContact CG-CG 3.9Å; D367-F371 WeakPolarHBondContact O-CB 3.22Å; D367-F371 PolarHBondContact O-N 3.22Å; Y368-F371 AromaticContact CD2-CD1 3.91Å; Y368-F371 HydrophobicContact CD2-CD1 3.91Å; Y368-F371 AromaticContact CE2-CD1 3.77Å; Y368-F371 HydrophobicContact CE2-CD1 3.77Å; Y368-F371 HydrophobicContact CE2-CE1 4.15Å; Y368-F371 WeakPolarHBondContact O-CB 3.39Å; Y368-F371 PolarHBondContact O-N 3.24Å; F371-I373 VanDerWaalsContact C-N 3.31Å; F371-I373 PolarHBondContact O-N 2.99Å; F371-R374 PolarHBondContact O-N 3.3Å; F371-M375 HydrophobicContact CD1-CG 4.4Å; F371-M375 HydrophobicContact CD2-CG 4.14Å; F371-M375 HydrophobicContact CE1-CG 3.97Å; F371-M375 HydrophobicContact CE2-CG 3.67Å; F371-M375 HydrophobicContact CE2-SD 3.94Å; F371-M375 HydrophobicContact CG-CG 4.48Å; F371-M375 HydrophobicContact CZ-CG 3.58Å; F371-M375 HydrophobicContact CZ-SD 3.78Å; F371-M375 WeakPolarHBondContact O-CB 3.38Å; F371-M375 VanDerWaalsContact O-CG 3.29Å; F371-M375 WeakPolarHBondContact O-CG 3.37Å; F371-M375 PolarHBondContact O-N 3.26Å
372K96.7Very high95.4Very high34 Ų3461.1 Ų61.115%0.14831%0.306CS..Hα-helixtrans-58.6-42.1174.5-72.7-179.569.8162.10112.1L278 E339 Y368 E369 M375 N376L278-K372 HydrophobicContact CD1-CG 4.2Å; L278-K372 HydrophobicContact CD2-CG 4.33Å; E339-K372 IonicContact OE1-NZ 3.66Å; E339-K372 PolarHBondContact OE1-NZ 2.95Å; E339-K372 WeakPolarHBondContact OE2-CD 3.48Å; E339-K372 VanDerWaalsContact OE2-CE 3.3Å; E339-K372 WeakPolarHBondContact OE2-CE 3.35Å; E339-K372 IonicContact OE2-NZ 2.72Å; E339-K372 PolarHBondContact OE2-NZ 3.03Å; Y368-K372 HydrophobicContact CD1-CD 4.15Å; Y368-K372 HydrophobicContact CE1-CD 3.54Å; Y368-K372 HydrophobicContact CE1-CG 4.01Å; Y368-K372 HydrophobicContact CE2-CG 4.24Å; Y368-K372 PolarHBondContact O-N 2.89Å; E369-K372 WeakPolarHBondContact O-CB 3.29Å; E369-K372 PolarHBondContact O-N 2.9Å; K372-M375 PolarHBondContact O-N 3.01Å; K372-N376 VanDerWaalsContact O-CG 3.27Å; K372-N376 PolarHBondContact O-N 3.2Å; K372-N376 PolarHBondContact O-ND2 3.21Å
373I96.5Very high95.2Very high117 Ų11761.1 Ų61.160%0.631%0.312SS*.Hα-helixtrans-63.1-48.1178.2-68.4164.6000110.9E369 E370 F371 M375 N376 A377E369-I373 WeakPolarHBondContact O-CG1 3.34Å; E369-I373 PolarHBondContact O-N 3.34Å; E370-I373 PolarHBondContact O-N 3.35Å; F371-I373 VanDerWaalsContact C-N 3.31Å; F371-I373 PolarHBondContact O-N 2.99Å; I373-M375 PolarHBondContact O-N 3.23Å; I373-N376 PolarHBondContact O-N 3.08Å; I373-A377 PolarHBondContact O-N 3.46Å
374R97Very high94.9Very high91 Ų9167.1 Ų67.134%0.34333%0.33SS..Hα-helixtrans-58.5-40.7175.3-71.9-165.8-62.5-79.9-2.6111.1E316 E370 F371 A377 L378E316-R374 IonicContact OE2-CZ 2.7Å; E316-R374 IonicContact OE2-NE 3.99Å; E316-R374 PolarHBondContact OE2-NE 3.09Å; E316-R374 IonicContact OE2-NH2 3.43Å; E370-R374 PolarHBondContact O-N 3.26Å; F371-R374 PolarHBondContact O-N 3.3Å; R374-A377 WeakPolarHBondContact O-CB 3.47Å; R374-A377 PolarHBondContact O-N 2.77Å; R374-L378 PolarHBondContact O-N 3.18Å; R374-L378 VanDerWaalsContact O-N 3.09Å
375M95.2Very high94.4Very high1 Ų171 Ų711%0.00536%0.355CS..Hα-helixtrans-63.7-45.2178.2-72.1-8750.800113.6L278 S313 E316 F371 K372 I373 A377 L378 V379L278-M375 HydrophobicContact CD1-CG 4.46Å; S313-M375 VanDerWaalsContact OG-CE 3.31Å; S313-M375 WeakPolarHBondContact OG-CE 3.28Å; E316-M375 HydrophobicContact CB-SD 4.48Å; F371-M375 HydrophobicContact CD1-CG 4.4Å; F371-M375 HydrophobicContact CD2-CG 4.14Å; F371-M375 HydrophobicContact CE1-CG 3.97Å; F371-M375 HydrophobicContact CE2-CG 3.67Å; F371-M375 HydrophobicContact CE2-SD 3.94Å; F371-M375 HydrophobicContact CG-CG 4.48Å; F371-M375 HydrophobicContact CZ-CG 3.58Å; F371-M375 HydrophobicContact CZ-SD 3.78Å; F371-M375 WeakPolarHBondContact O-CB 3.38Å; F371-M375 VanDerWaalsContact O-CG 3.29Å; F371-M375 WeakPolarHBondContact O-CG 3.37Å; F371-M375 PolarHBondContact O-N 3.26Å; K372-M375 PolarHBondContact O-N 3.01Å; I373-M375 PolarHBondContact O-N 3.23Å; M375-A377 VanDerWaalsContact C-N 3.26Å; M375-A377 PolarHBondContact O-N 3.18Å; M375-L378 HydrophobicContact CE-CB 4.2Å; M375-L378 HydrophobicContact CE-CD1 3.64Å; M375-L378 HydrophobicContact CE-CG 4.26Å; M375-L378 PolarHBondContact O-N 3.26Å; M375-V379 WeakPolarHBondContact O-CG2 3.43Å; M375-V379 PolarHBondContact O-N 3.22Å
376N94.2Very high94.1Very high91 Ų9168.8 Ų68.849%0.48735%0.349SS..Hα-helixtrans-63.3-33.9175.6-70-24.9000112.1K372 I373 V379 A380K372-N376 VanDerWaalsContact O-CG 3.27Å; K372-N376 PolarHBondContact O-N 3.2Å; K372-N376 PolarHBondContact O-ND2 3.21Å; I373-N376 PolarHBondContact O-N 3.08Å; N376-V379 PolarHBondContact O-N 3.22Å; N376-A380 WeakPolarHBondContact O-CB 3.48Å; N376-A380 PolarHBondContact O-N 3.31Å
377A95.5Very high93.6Very high58 Ų5871.1 Ų71.148%0.47937%0.366SS..Hα-helixtrans-64.3-41174.400000112I373 R374 M375 A380 K381I373-A377 PolarHBondContact O-N 3.46Å; R374-A377 WeakPolarHBondContact O-CB 3.47Å; R374-A377 PolarHBondContact O-N 2.77Å; M375-A377 VanDerWaalsContact C-N 3.26Å; M375-A377 PolarHBondContact O-N 3.18Å; A377-A380 PolarHBondContact O-N 2.75Å; A377-K381 WeakPolarHBondContact O-CB 3.31Å; A377-K381 PolarHBondContact O-N 2.72Å
378L94.2Very high93.2Very high26 Ų2676.4 Ų76.414%0.13639%0.39CS..Hα-helixtrans-64.2-43.9174.2-65.1-169.9000112L309 E312 E316 R374 M375 A380 K381 A382L309-L378 HydrophobicContact CD1-CB 3.91Å; E312-L378 HydrophobicContact CB-CD1 3.72Å; E316-L378 HydrophobicContact CG-CD1 3.99Å; R374-L378 PolarHBondContact O-N 3.18Å; R374-L378 VanDerWaalsContact O-N 3.09Å; M375-L378 HydrophobicContact CE-CB 4.2Å; M375-L378 HydrophobicContact CE-CD1 3.64Å; M375-L378 HydrophobicContact CE-CG 4.26Å; M375-L378 PolarHBondContact O-N 3.26Å; L378-A380 VanDerWaalsContact C-N 3.34Å; L378-A380 PolarHBondContact O-N 3.44Å; L378-K381 WeakPolarHBondContact O-CB 3.09Å; L378-K381 PolarHBondContact O-N 2.77Å; L378-A382 WeakPolarHBondContact O-CB 3.22Å; L378-A382 PolarHBondContact O-N 3.02Å
379V94.1Very high92.9Very high36 Ų3677 Ų7722%0.21840%0.396CS..Hα-helixtrans-60.4-44.3176.2174.70000111P277 L309 M375 N376 A382 Q383P277-V379 HydrophobicContact CG-CG2 4.02Å; L309-V379 HydrophobicContact CD1-CG2 4.15Å; L309-V379 HydrophobicContact CD2-CG2 4.32Å; M375-V379 WeakPolarHBondContact O-CG2 3.43Å; M375-V379 PolarHBondContact O-N 3.22Å; N376-V379 PolarHBondContact O-N 3.22Å; V379-A382 PolarHBondContact O-N 3.29Å; V379-Q383 PolarHBondContact O-N 3.34Å
380A93.1Very high92.7Very high54 Ų5475.3 Ų75.345%0.44639%0.387SS..Hα-helixtrans-65.9-38.1177.600000112.7N376 A377 L378N376-A380 WeakPolarHBondContact O-CB 3.48Å; N376-A380 PolarHBondContact O-N 3.31Å; A377-A380 PolarHBondContact O-N 2.75Å; L378-A380 VanDerWaalsContact C-N 3.34Å; L378-A380 PolarHBondContact O-N 3.44Å
381K92.4Very high92.5Very high94 Ų9473.6 Ų73.641%0.40938%0.383SS..Hα-helixtrans-61.4-45.9173.3177.3-170.7167.5-158.90110.7E312 A377 L378 Q383 K384E312-K381 IonicContact OE1-NZ 3.75Å; E312-K381 PolarHBondContact OE1-NZ 2.97Å; E312-K381 IonicContact OE2-NZ 2.81Å; E312-K381 PolarHBondContact OE2-NZ 3.32Å; E312-K381 VanDerWaalsContact OE2-NZ 3.12Å; A377-K381 WeakPolarHBondContact O-CB 3.31Å; A377-K381 PolarHBondContact O-N 2.72Å; L378-K381 WeakPolarHBondContact O-CB 3.09Å; L378-K381 PolarHBondContact O-N 2.77Å; K381-Q383 PolarHBondContact O-N 2.92Å; K381-K384 PolarHBondContact O-N 3.47Å; K381-K384 VanDerWaalsContact O-N 3.1Å
382A90.5Very high92.1Very high19 Ų1976 Ų7616%0.15740%0.395CS..Hα-helixtrans-65-21.2-177.300000114.6L309 L378 V379 K384L309-A382 HydrophobicContact CB-CB 3.85Å; L309-A382 HydrophobicContact CD1-CB 4.03Å; L309-A382 HydrophobicContact CD2-CB 3.67Å; L309-A382 HydrophobicContact CG-CB 4.05Å; L378-A382 WeakPolarHBondContact O-CB 3.22Å; L378-A382 PolarHBondContact O-N 3.02Å; V379-A382 PolarHBondContact O-N 3.29Å; A382-K384 PolarHBondContact O-N 3.26Å
383Q89.1Confident91.6Very high142 Ų14283 Ų8366%0.66443%0.428SS*.THydrogen-bonded Turntrans-68.8-17174.1-70.1-175.5-2.800113.4V379 K381V379-Q383 PolarHBondContact O-N 3.34Å; K381-Q383 PolarHBondContact O-N 2.92Å
384K88.5Confident91.2Very high169 Ų16982.8 Ų82.874%0.73543%0.428SS*.SBendtrans-110.687.5179.5-62.7178.8-176.2177.80109.3K381 A382 P386 W390K381-K384 PolarHBondContact O-N 3.47Å; K381-K384 VanDerWaalsContact O-N 3.1Å; A382-K384 PolarHBondContact O-N 3.26Å; K384-P386 WeakPolarHBondContact O-CD 3.1Å; K384-W390 WeakPolarHBondContact O-CH2 3.25Å
385T85.5Confident90.8Very high102 Ų10281.1 Ų81.163%0.62644%0.44SS*.  trans-68.8122.1178.3-45.40000110.3W390T385-W390 HydrophobicContact CG2-CZ2 4.25Å
386P89.5Confident90.7Very high36 Ų3684.4 Ų84.423%0.23446%0.46CS..  trans-65.2150.6173.726.5-34000111.7K384 E388 G389 W390K384-P386 WeakPolarHBondContact O-CD 3.1Å; P386-E388 HydrophobicContact CB-CG 4.47Å; P386-G389 WeakPolarHBondContact CG-O 3.38Å; P386-G389 PolarHBondContact O-N 3.28Å; P386-W390 HydrophobicContact CG-CD2 4.24Å; P386-W390 HydrophobicContact CG-CE3 4.05Å; P386-W390 HydrophobicContact CG-CZ3 4.29Å
387E87.3Confident90.7Very high201 Ų20183.7 Ų83.794%0.93946%0.462SS*.THydrogen-bonded Turntrans-68.8-37.1-177.6-67.2-171.5173.400111.9G389E387-G389 PolarHBondContact O-N 3.07Å
388E89.1Confident90.7Very high151 Ų15181.3 Ų81.371%0.70644%0.44SS*.THydrogen-bonded Turntrans-73.6-4.617665.2-83.3-167.200113.9P386P386-E388 HydrophobicContact CB-CG 4.47Å
389G90.7Very high90.7Very high14 Ų1482.8 Ų82.814%0.14445%0.452CS..  trans83173-172.800000112.9P386 E387P386-G389 WeakPolarHBondContact CG-O 3.38Å; P386-G389 PolarHBondContact O-N 3.28Å; E387-G389 PolarHBondContact O-N 3.07Å
390W93.3Very high90.7Very high44 Ų4481.2 Ų81.217%0.16744%0.443CS..  trans-70.9144.6-178.8-63.3105.8000111.3M308 K384 T385 P386 W398 N401M308-W390 HydrophobicContact CB-CB 4.2Å; M308-W390 HydrophobicContact CB-CD2 4.38Å; M308-W390 HydrophobicContact CB-CG 4.05Å; M308-W390 HydrophobicContact CG-CB 4.39Å; M308-W390 HydrophobicContact SD-CB 3.62Å; M308-W390 HydrophobicContact SD-CD2 3.98Å; M308-W390 HydrophobicContact SD-CE3 3.72Å; M308-W390 HydrophobicContact SD-CG 3.96Å; K384-W390 WeakPolarHBondContact O-CH2 3.25Å; T385-W390 HydrophobicContact CG2-CZ2 4.25Å; P386-W390 HydrophobicContact CG-CD2 4.24Å; P386-W390 HydrophobicContact CG-CE3 4.05Å; P386-W390 HydrophobicContact CG-CZ3 4.29Å; W390-W398 HydrophobicContact CB-CB 3.71Å; W390-W398 HydrophobicContact CB-CG 4.25Å; W390-W398 VanDerWaalsContact O-CB 3.32Å; W390-W398 WeakPolarHBondContact O-CB 3.49Å; W390-W398 PolarHBondContact O-N 3.13Å; W390-N401 WeakPolarHBondContact CB-OD1 3.48Å; W390-N401 PolarHBondContact N-ND2 2.96Å; W390-N401 PolarHBondContact N-OD1 2.78Å; W390-N401 PolarHBondContact O-ND2 2.95Å; W390-N401 VanDerWaalsContact O-ND2 3.15Å
391T92.2Very high90.6Very high66 Ų6681.5 Ų81.541%0.40544%0.437SS..BIsolated β-bridgetrans-128.1133.7178.7-54.50000108.7M308 G395 T396M308-T391 WeakPolarHBondContact CE-O 3.41Å; T391-G395 WeakPolarHBondContact CG2-O 3.37Å; T391-T396 CarbonylContact C-O 3.55Å; T391-T396 WeakPolarHBondContact CA-O 3.22Å; T391-T396 WeakPolarHBondContact CG2-O 3.36Å
392M89.9Confident90.6Very high49 Ų4981 Ų8124%0.24144%0.439CS..  trans-71.9166.5177.7-66.8-173.169.600111.7F311 D394 G395 T396 W398F311-M392 HydrophobicContact CE1-CE 3.95Å; F311-M392 HydrophobicContact CZ-CE 4.12Å; M392-D394 WeakPolarHBondContact CB-OD1 3.25Å; M392-D394 PolarHBondContact O-N 3.34Å; M392-G395 PolarHBondContact O-N 2.87Å; M392-T396 PolarHBondContact N-O 3.4Å; M392-W398 HydrophobicContact CE-CZ3 4.33Å; M392-W398 HydrophobicContact CG-CE3 3.83Å; M392-W398 HydrophobicContact CG-CZ3 4.45Å; M392-W398 HydrophobicContact SD-CE3 3.82Å; M392-W398 HydrophobicContact SD-CZ3 4.06Å
393Q85.7Confident90.5Very high181 Ų18184 Ų8485%0.84646%0.456SS*.THydrogen-bonded Turntrans-63.2-24.5-179.3-65.8-173.2-1.100113.5G395Q393-G395 PolarHBondContact O-N 3.45Å
394D88.2Confident90.5Very high113 Ų11386.6 Ų86.660%0.60446%0.459SS*.THydrogen-bonded Turntrans-81.90.9175.363.72.5000113.4M392 T396M392-D394 WeakPolarHBondContact CB-OD1 3.25Å; M392-D394 PolarHBondContact O-N 3.34Å; D394-T396 WeakPolarHBondContact OD1-CB 3.47Å; D394-T396 PolarHBondContact OD1-N 3.35Å; D394-T396 PolarHBondContact OD1-OG1 2.8Å; D394-T396 PolarHBondContact OD2-OG1 3.44Å
395G89Confident90.8Very high57 Ų5781.8 Ų81.859%0.58844%0.441SS*.SBendtrans85.41.8-179.700000114.5T391 M392 Q393T391-G395 WeakPolarHBondContact CG2-O 3.37Å; M392-G395 PolarHBondContact O-N 2.87Å; Q393-G395 PolarHBondContact O-N 3.45Å
396T92.1Very high91.2Very high69 Ų6977 Ų7742%0.42341%0.412SS..PPolyproline II helixtrans-80.8147.7176.363.90000111.9T391 M392 D394T391-T396 CarbonylContact C-O 3.55Å; T391-T396 WeakPolarHBondContact CA-O 3.22Å; T391-T396 WeakPolarHBondContact CG2-O 3.36Å; M392-T396 PolarHBondContact N-O 3.4Å; D394-T396 WeakPolarHBondContact OD1-CB 3.47Å; D394-T396 PolarHBondContact OD1-N 3.35Å; D394-T396 PolarHBondContact OD1-OG1 2.8Å; D394-T396 PolarHBondContact OD2-OG1 3.44Å
397S93.9Very high91.5Very high76 Ų7678.2 Ų78.253%0.53142%0.42SS..BIsolated β-bridgetrans-69.1138.3176-1710000110.5P399 N401S397-P399 WeakPolarHBondContact O-CD 3.17Å; S397-N401 PolarHBondContact OG-ND2 2.95Å
398W95.5Very high91.8Very high8 Ų869.1 Ų69.13%0.0338%0.38CS..PPolyproline II helixtrans-64.4121.5178.8179.4-116.8000111A306 M308 F311 W390 M392 G400 N401 M409A306-W398 PolarHBondContact O-NE1 3.1Å; M308-W398 HydrophobicContact CB-CD2 4.26Å; M308-W398 HydrophobicContact CB-CG 4.3Å; M308-W398 HydrophobicContact CG-CD2 4.35Å; F311-W398 HydrophobicContact CB-CH2 3.6Å; F311-W398 HydrophobicContact CB-CZ2 4.18Å; F311-W398 HydrophobicContact CB-CZ3 4.29Å; F311-W398 HydrophobicContact CD1-CH2 4.11Å; F311-W398 AromaticContact CD1-CZ3 3.95Å; F311-W398 HydrophobicContact CD1-CZ3 3.95Å; F311-W398 AromaticContact CD2-CH2 3.94Å; F311-W398 HydrophobicContact CD2-CH2 3.94Å; F311-W398 HydrophobicContact CD2-CZ3 4.33Å; F311-W398 HydrophobicContact CE1-CZ3 4.37Å; F311-W398 AromaticContact CG-CH2 3.61Å; F311-W398 HydrophobicContact CG-CH2 3.61Å; F311-W398 AromaticContact CG-CZ3 3.92Å; F311-W398 HydrophobicContact CG-CZ3 3.92Å; W390-W398 HydrophobicContact CB-CB 3.71Å; W390-W398 HydrophobicContact CB-CG 4.25Å; W390-W398 VanDerWaalsContact O-CB 3.32Å; W390-W398 WeakPolarHBondContact O-CB 3.49Å; W390-W398 PolarHBondContact O-N 3.13Å; M392-W398 HydrophobicContact CE-CZ3 4.33Å; M392-W398 HydrophobicContact CG-CE3 3.83Å; M392-W398 HydrophobicContact CG-CZ3 4.45Å; M392-W398 HydrophobicContact SD-CE3 3.82Å; M392-W398 HydrophobicContact SD-CZ3 4.06Å; W398-G400 VanDerWaalsContact NE1-CA 3.35Å; W398-G400 PolarHBondContact O-N 3.22Å; W398-G400 VanDerWaalsContact O-N 3.15Å; W398-N401 VanDerWaalsContact O-CG 3.31Å; W398-N401 PolarHBondContact O-N 2.74Å; W398-N401 PolarHBondContact O-ND2 3.24Å; W398-M409 HydrophobicContact CH2-CE 4.3Å; W398-M409 HydrophobicContact CH2-SD 4.04Å; W398-M409 HydrophobicContact CZ2-CE 3.82Å; W398-M409 HydrophobicContact CZ2-SD 4.04Å; W398-M409 HydrophobicContact CZ3-SD 4.47Å
399P94.4Very high92.1Very high57 Ų5763 Ų6337%0.3735%0.352SS..THydrogen-bonded Turntrans-63.5-25.1-177.2-21.331.6000113.7S397 N401 H406 P407 M409S397-P399 WeakPolarHBondContact O-CD 3.17Å; P399-N401 VanDerWaalsContact C-N 3.32Å; P399-N401 PolarHBondContact O-N 2.86Å; P399-H406 WeakPolarHBondContact O-CB 3.47Å; P399-P407 HydrophobicContact CB-CG 3.83Å; P399-M409 HydrophobicContact CB-CG 4.37Å; P399-M409 HydrophobicContact CB-SD 3.76Å; P399-M409 HydrophobicContact CG-SD 3.96Å
400G93.7Very high92.3Very high4 Ų463.4 Ų63.44%0.04135%0.35CS..THydrogen-bonded Turntrans-86.915.3179.200000115.2W398 N402W398-G400 VanDerWaalsContact NE1-CA 3.35Å; W398-G400 PolarHBondContact O-N 3.22Å; W398-G400 VanDerWaalsContact O-N 3.15Å; G400-N402 PolarHBondContact O-N 3.18Å
401N92.2Very high92.3Very high59 Ų5965.5 Ų65.532%0.31636%0.362SS..SBendtrans-56.4-33.7-178.9-88.3-28.6000113.2W390 S397 W398 P399W390-N401 WeakPolarHBondContact CB-OD1 3.48Å; W390-N401 PolarHBondContact N-ND2 2.96Å; W390-N401 PolarHBondContact N-OD1 2.78Å; W390-N401 PolarHBondContact O-ND2 2.95Å; W390-N401 VanDerWaalsContact O-ND2 3.15Å; S397-N401 PolarHBondContact OG-ND2 2.95Å; W398-N401 VanDerWaalsContact O-CG 3.31Å; W398-N401 PolarHBondContact O-N 2.74Å; W398-N401 PolarHBondContact O-ND2 3.24Å; P399-N401 VanDerWaalsContact C-N 3.32Å; P399-N401 PolarHBondContact O-N 2.86Å
402N91.9Very high92.3Very high84 Ų8464.3 Ų64.345%0.44936%0.355SS..SBendtrans-104.2108.7169.9-174.9-10.6000110.6G400 R404 D405 H406G400-N402 PolarHBondContact O-N 3.18Å; N402-R404 PolarHBondContact O-N 2.93Å; N402-R404 VanDerWaalsContact O-N 3.13Å; N402-R404 PolarHBondContact OD1-N 3.38Å; N402-D405 HydrophobicContact CB-CB 4.46Å; N402-D405 WeakPolarHBondContact CB-O 3.42Å; N402-D405 CarbonylContact O-C 3.44Å; N402-D405 VanDerWaalsContact O-C 3.29Å; N402-D405 PolarHBondContact O-N 3.29Å; N402-D405 VanDerWaalsContact O-N 3.14Å; N402-D405 VanDerWaalsContact O-O 3.13Å; N402-D405 PolarHBondContact OD1-N 3.45Å; N402-H406 PolarHBondContact O-ND1 3.41Å
403T88Confident92.4Very high83 Ų8363.2 Ų63.251%0.50935%0.349SS..THydrogen-bonded Turntrans-65.2-18.1-177.758.20000114G305 H406G305-T403 WeakPolarHBondContact O-CG2 3.3Å; T403-H406 PolarHBondContact O-CE1 3.47Å; T403-H406 PolarHBondContact O-ND1 3.37Å
404R89.1Confident92.7Very high195 Ų19555 Ų5574%0.73631%0.31SS*.THydrogen-bonded Turntrans-97.3-15.9177-64-172.5177.4-170.6-0.2113.8N402 K437 R438N402-R404 PolarHBondContact O-N 2.93Å; N402-R404 VanDerWaalsContact O-N 3.13Å; N402-R404 PolarHBondContact OD1-N 3.38Å; R404-K437 CarbonylContact O-C 3.48Å; R404-R438 CarbonylContact O-C 3.51Å
405D94.7Very high92.5Very high68 Ų6849.7 Ų49.736%0.36428%0.283SS..SBendtrans-143.990.8-177.4-165.1-4.6000110.1N402 K437 R438 P439N402-D405 HydrophobicContact CB-CB 4.46Å; N402-D405 WeakPolarHBondContact CB-O 3.42Å; N402-D405 CarbonylContact O-C 3.44Å; N402-D405 VanDerWaalsContact O-C 3.29Å; N402-D405 PolarHBondContact O-N 3.29Å; N402-D405 VanDerWaalsContact O-N 3.14Å; N402-D405 VanDerWaalsContact O-O 3.13Å; N402-D405 PolarHBondContact OD1-N 3.45Å; D405-K437 CarbonylContact C-O 3.55Å; D405-K437 VanDerWaalsContact CA-O 3.28Å; D405-K437 WeakPolarHBondContact CA-O 3.28Å; D405-R438 WeakPolarHBondContact OD1-CD 3.27Å; D405-R438 IonicContact OD1-NE 2.8Å; D405-P439 HydrophobicContact CB-CG 4.17Å
406H94.8Very high92Very high2 Ų255 Ų551%0.00929%0.286CS..BIsolated β-bridgetrans-147.8150.4177.855.5-105.3000111.5A306 P399 N402 T403 R435 K437A306-H406 VanDerWaalsContact CB-CE1 3.41Å; A306-H406 WeakPolarHBondContact CB-CE1 3.39Å; P399-H406 WeakPolarHBondContact O-CB 3.47Å; N402-H406 PolarHBondContact O-ND1 3.41Å; T403-H406 PolarHBondContact O-CE1 3.47Å; T403-H406 PolarHBondContact O-ND1 3.37Å; H406-R435 PolarHBondContact NE2-O 2.88Å; H406-K437 PolarHBondContact N-O 3.02Å; H406-K437 PolarHBondContact O-N 3.05Å; H406-K437 VanDerWaalsContact O-N 3.17Å
407P95.5Very high91.2Very high61 Ų6156.9 Ų56.940%0.39630%0.302SS..  trans-68.6159.2174.231.4-36.2000111.5P399P399-P407 HydrophobicContact CB-CG 3.83Å
408G94.6Very high90.7Very high11 Ų1154.8 Ų54.811%0.11329%0.292CS..  trans-65135.5168.800000110.9S434G408-S434 CarbonylContact C-O 3.49Å; G408-S434 VanDerWaalsContact CA-O 3.27Å; G408-S434 WeakPolarHBondContact CA-O 3.42Å
409M94.5Very high90.3Very high23 Ų2356.4 Ų56.411%0.11331%0.307CS..EExtended strand (participates in β ladder)trans-122.5134.9-179.5-58.9178.9-77.600109.8A306 W398 P399 Y432 V433 S434A306-M409 HydrophobicContact CB-CE 3.93Å; W398-M409 HydrophobicContact CH2-CE 4.3Å; W398-M409 HydrophobicContact CH2-SD 4.04Å; W398-M409 HydrophobicContact CZ2-CE 3.82Å; W398-M409 HydrophobicContact CZ2-SD 4.04Å; W398-M409 HydrophobicContact CZ3-SD 4.47Å; P399-M409 HydrophobicContact CB-CG 4.37Å; P399-M409 HydrophobicContact CB-SD 3.76Å; P399-M409 HydrophobicContact CG-SD 3.96Å; M409-Y432 HydrophobicContact CB-CE1 4.48Å; M409-V433 WeakPolarHBondContact O-CA 3.21Å; M409-S434 PolarHBondContact N-O 2.99Å; M409-S434 PolarHBondContact O-N 3.34Å
410I95.1Very high90.2Very high21 Ų2159.7 Ų59.711%0.10831%0.312CS..EExtended strand (participates in β ladder)trans-132128.7173.2-59.5176.5000107.8V431 Y432 V456 L460 A655 I656 I659I410-V431 HydrophobicContact CG2-CG1 3.93Å; I410-Y432 WeakPolarHBondContact CA-O 3.4Å; I410-V456 HydrophobicContact CD1-CG2 3.46Å; I410-V456 VanDerWaalsContact CD1-CG2 3.46Å; I410-V456 HydrophobicContact CG1-CG2 4.42Å; I410-L460 HydrophobicContact CG2-CD1 4.44Å; I410-A655 VanDerWaalsContact CD1-C 3.47Å; I410-A655 HydrophobicContact CD1-CB 3.5Å; I410-I656 HydrophobicContact CD1-CG1 3.97Å; I410-I656 HydrophobicContact CG1-CG1 4.28Å; I410-I659 HydrophobicContact CD1-CD1 3.89Å; I410-I659 HydrophobicContact CG1-CD1 3.73Å
411Q93.3Very high90.1Very high89 Ų8960.2 Ų60.242%0.41631%0.314SS..EExtended strand (participates in β ladder)trans-130.8133.7171.7-173.56416.700109.8F311 F413 V431 Y432F311-Q411 HydrophobicContact CE2-CB 4.01Å; F311-Q411 HydrophobicContact CE2-CG 3.99Å; F311-Q411 HydrophobicContact CZ-CG 4.45Å; Q411-F413 HydrophobicContact CB-CE2 4.31Å; Q411-F413 HydrophobicContact CB-CZ 4.19Å; Q411-F413 HydrophobicContact CG-CD1 4.24Å; Q411-F413 HydrophobicContact CG-CE1 3.64Å; Q411-F413 HydrophobicContact CG-CE2 4.02Å; Q411-F413 HydrophobicContact CG-CZ 3.54Å; Q411-V431 CarbonylContact O-C 3.6Å; Q411-V431 WeakPolarHBondContact O-CA 3.01Å; Q411-Y432 HydrophobicContact CB-CD1 4.39Å; Q411-Y432 PolarHBondContact N-O 2.83Å; Q411-Y432 PolarHBondContact O-N 3.01Å
412V92.9Very high90Very high41 Ų4163.1 Ų63.125%0.24833%0.328CS..EExtended strand (participates in β ladder)trans-104.3122.3175.5-175.70000109R429 V431V412-R429 HydrophobicContact CG1-CG 3.59Å; V412-V431 HydrophobicContact CG2-CG1 4.33Å; V412-V431 HydrophobicContact CG2-CG2 4.31Å
413F90.8Very high89.9Confident26 Ų2665 Ų6511%0.11434%0.335CS..EExtended strand (participates in β ladder)trans-108.5152.2171.1-54-69.4000109.6F311 L314 V315 A318 Q411 L430F311-F413 HydrophobicContact CD2-CZ 4.2Å; F311-F413 HydrophobicContact CE2-CE1 4.49Å; F311-F413 HydrophobicContact CE2-CE2 4.43Å; F311-F413 AromaticContact CE2-CZ 3.62Å; F311-F413 HydrophobicContact CE2-CZ 3.62Å; F311-F413 HydrophobicContact CZ-CZ 4.05Å; L314-F413 HydrophobicContact CB-CE2 4.21Å; V315-F413 HydrophobicContact CG2-CE1 3.74Å; V315-F413 HydrophobicContact CG2-CZ 3.79Å; A318-F413 HydrophobicContact CB-CB 4.19Å; Q411-F413 HydrophobicContact CB-CE2 4.31Å; Q411-F413 HydrophobicContact CB-CZ 4.19Å; Q411-F413 HydrophobicContact CG-CD1 4.24Å; Q411-F413 HydrophobicContact CG-CE1 3.64Å; Q411-F413 HydrophobicContact CG-CE2 4.02Å; Q411-F413 HydrophobicContact CG-CZ 3.54Å; F413-L430 WeakPolarHBondContact CA-O 3.31Å; F413-L430 HydrophobicContact CB-CB 4.14Å; F413-L430 HydrophobicContact CB-CD2 4.32Å; F413-L430 HydrophobicContact CB-CG 4.4Å; F413-L430 HydrophobicContact CD2-CD2 4.28Å; F413-L430 HydrophobicContact CD2-CG 4.32Å; F413-L430 PolarHBondContact N-O 3.2Å; F413-L430 PolarHBondContact O-N 2.92Å; F413-L430 VanDerWaalsContact O-O 3.05Å
414L91.4Very high90.1Very high7 Ų762.8 Ų62.84%0.03733%0.328CS..SBendtrans52.8-160.8179.8-53.6176.9000112.5L288 A318 A321 R322 A419 L427L288-L414 HydrophobicContact CD1-CD1 3.99Å; A318-L414 HydrophobicContact CB-CD1 4.4Å; A318-L414 HydrophobicContact CB-CD2 4.46Å; A318-L414 HydrophobicContact CB-CG 4.23Å; A321-L414 HydrophobicContact CB-CD1 4.27Å; R322-L414 HydrophobicContact CG-CD2 3.98Å; L414-A419 HydrophobicContact CD2-CB 4.33Å; L414-A419 WeakPolarHBondContact CD2-O 3.43Å; L414-L427 HydrophobicContact CB-CB 4.33Å; L414-L427 HydrophobicContact CD1-CB 4.19Å; L414-L427 HydrophobicContact CD1-CD2 4.16Å; L414-L427 HydrophobicContact CD2-CD1 4.5Å
415G84Confident90.3Very high2 Ų257.4 Ų57.42%0.02131%0.314CS..SBendtrans73.3-173.4-174.500000114S417 G418 L427G415-S417 VanDerWaalsContact C-N 3.31Å; G415-S417 PolarHBondContact O-N 3.22Å; G415-G418 PolarHBondContact O-N 2.88Å; G415-L427 VanDerWaalsContact CA-O 3.28Å; G415-L427 WeakPolarHBondContact CA-O 3.43Å; G415-L427 PolarHBondContact N-O 2.69Å
416Y78.6Confident90.2Very high170 Ų17056.9 Ų56.967%0.66731%0.309SS*.THydrogen-bonded Turntrans-51.6-42.3-173.8-177.5-100.3000115.2E426Y416-E426 VanDerWaalsContact CA-OE1 3.24Å; Y416-E426 WeakPolarHBondContact CA-OE1 3.49Å; Y416-E426 WeakPolarHBondContact CB-OE1 3.37Å; Y416-E426 PolarHBondContact N-OE1 2.93Å
417S76.7Confident90.3Very high108 Ų10856.9 Ų56.976%0.75531%0.309SS*.THydrogen-bonded Turntrans-88.8-2.6179.4580000113.7G415G415-S417 VanDerWaalsContact C-N 3.31Å; G415-S417 PolarHBondContact O-N 3.22Å
418G82.3Confident90.3Very high32 Ų3254.1 Ų54.133%0.3329%0.291SS..SBendtrans-105.5-166.7-172.200000114G415G415-G418 PolarHBondContact O-N 2.88Å
419A87Confident90.3Very high41 Ų4157.1 Ų57.134%0.33930%0.299SS..  trans-69.1135.3177.400000111.6L414L414-A419 HydrophobicContact CD2-CB 4.33Å; L414-A419 WeakPolarHBondContact CD2-O 3.43Å
420R92.2Very high90.5Very high126 Ų12656 Ų5648%0.47529%0.294SS..  trans-88.1165.3175.5-66.9-179.6171.9-131.41111.8R322 G424 N425R322-R420 PolarHBondContact NE-O 3.16Å; R322-R420 PolarHBondContact NH2-O 2.98Å; R420-G424 WeakPolarHBondContact CD-O 3.36Å; R420-G424 PolarHBondContact NH1-O 2.85Å; R420-N425 WeakPolarHBondContact CB-O 3.3Å
421D91.6Very high90.5Very high16 Ų1655 Ų559%0.08629%0.289CS..  trans-67.8177.2175.575.99.8000111.4P326 E423 G424 N425 L427P326-D421 HydrophobicContact CG-CB 4.28Å; D421-E423 PolarHBondContact O-N 3.49Å; D421-E423 VanDerWaalsContact OD1-C 3.26Å; D421-E423 VanDerWaalsContact OD1-CA 3.3Å; D421-E423 WeakPolarHBondContact OD1-CA 3.13Å; D421-E423 PolarHBondContact OD1-N 2.88Å; D421-G424 PolarHBondContact O-N 3.45Å; D421-G424 PolarHBondContact OD1-N 3.3Å; D421-N425 PolarHBondContact N-O 3.2Å; D421-N425 PolarHBondContact OD1-N 3.22Å; D421-N425 WeakPolarHBondContact OD2-CB 3.5Å; D421-N425 PolarHBondContact OD2-ND2 3.4Å; D421-N425 VanDerWaalsContact OD2-ND2 3.09Å; D421-L427 HydrophobicContact CB-CD1 3.62Å; D421-L427 HydrophobicContact CB-CG 4.35Å
422I90.1Very high90.7Very high119 Ų11950.9 Ų50.961%0.6127%0.269SS*.THydrogen-bonded Turntrans-66.4-23.6179.6-58167.3000112.1K323K323-I422 HydrophobicContact CB-CD1 4.03Å; K323-I422 HydrophobicContact CD-CD1 4.42Å; K323-I422 HydrophobicContact CG-CD1 3.68Å
423E90Very high91Very high125 Ų12549 Ų4958%0.58426%0.258SS*.THydrogen-bonded Turntrans-89.8-5.9-179.7-62.4-180179.300112.5D421D421-E423 PolarHBondContact O-N 3.49Å; D421-E423 VanDerWaalsContact OD1-C 3.26Å; D421-E423 VanDerWaalsContact OD1-CA 3.3Å; D421-E423 WeakPolarHBondContact OD1-CA 3.13Å; D421-E423 PolarHBondContact OD1-N 2.88Å
424G91.9Very high91.2Very high35 Ų3547.8 Ų47.836%0.36125%0.252SS..SBendtrans90.96.8-179.300000115.1R420 D421R420-G424 WeakPolarHBondContact CD-O 3.36Å; R420-G424 PolarHBondContact NH1-O 2.85Å; D421-G424 PolarHBondContact O-N 3.45Å; D421-G424 PolarHBondContact OD1-N 3.3Å
425N93.4Very high91.4Very high82 Ų8247.8 Ų47.844%0.43925%0.252SS..PPolyproline II helixtrans-83.8155.3177.5-45.6-61000111.8R420 D421R420-N425 WeakPolarHBondContact CB-O 3.3Å; D421-N425 PolarHBondContact N-O 3.2Å; D421-N425 PolarHBondContact OD1-N 3.22Å; D421-N425 WeakPolarHBondContact OD2-CB 3.5Å; D421-N425 PolarHBondContact OD2-ND2 3.4Å; D421-N425 VanDerWaalsContact OD2-ND2 3.09Å
426E94.1Very high91.9Very high57 Ų5749.1 Ų49.127%0.26626%0.258SS..PPolyproline II helixtrans-73.6142174-176.8173.2176.900111.3V294 Y416V294-E426 HydrophobicContact CG2-CB 4.36Å; Y416-E426 VanDerWaalsContact CA-OE1 3.24Å; Y416-E426 WeakPolarHBondContact CA-OE1 3.49Å; Y416-E426 WeakPolarHBondContact CB-OE1 3.37Å; Y416-E426 PolarHBondContact N-OE1 2.93Å
427L95.7Very high92.7Very high2 Ų242.1 Ų42.11%0.0123%0.231CC..PPolyproline II helixtrans-103.3155.8169.4-69.294.8000110.5A321 R322 V325 L414 G415 D421A321-L427 HydrophobicContact CB-CD2 4.36Å; R322-L427 HydrophobicContact CG-CD1 4.34Å; V325-L427 HydrophobicContact CB-CD2 3.95Å; V325-L427 HydrophobicContact CG1-CD2 4.32Å; V325-L427 HydrophobicContact CG2-CD2 3.93Å; L414-L427 HydrophobicContact CB-CB 4.33Å; L414-L427 HydrophobicContact CD1-CB 4.19Å; L414-L427 HydrophobicContact CD1-CD2 4.16Å; L414-L427 HydrophobicContact CD2-CD1 4.5Å; G415-L427 VanDerWaalsContact CA-O 3.28Å; G415-L427 WeakPolarHBondContact CA-O 3.43Å; G415-L427 PolarHBondContact N-O 2.69Å; D421-L427 HydrophobicContact CB-CD1 3.62Å; D421-L427 HydrophobicContact CB-CG 4.35Å
428P96.3Very high93.5Very high4 Ų442.2 Ų42.23%0.02621%0.214CC..PPolyproline II helixtrans-51.4142.2170-25.835.4000112.1L288 V294 V297L288-P428 HydrophobicContact CD2-CB 3.86Å; V294-P428 HydrophobicContact CB-CG 4.5Å; V294-P428 HydrophobicContact CG1-CG 4.47Å; V297-P428 HydrophobicContact CB-CB 4.19Å; V297-P428 HydrophobicContact CB-CG 4.38Å; V297-P428 HydrophobicContact CG1-CB 4.25Å; V297-P428 WeakPolarHBondContact O-CB 3.42Å
429R94.8Very high94Very high74 Ų7444.9 Ų44.928%0.27923%0.226SC..EExtended strand (participates in β ladder)trans-65.3137.2178.2-170.9-176.8-591795.1110.2C299 V412 V431 L460C299-R429 PolarHBondContact N-O 3.38Å; V412-R429 HydrophobicContact CG1-CG 3.59Å; R429-V431 HydrophobicContact CG-CG2 3.89Å; R429-L460 PolarHBondContact NH1-O 3.15Å
430L97.4Very high94Very high0 Ų047.2 Ų47.20%025%0.254CS..EExtended strand (participates in β ladder)trans-117.5115.8172.9175.564.9000109.2V284 L288 C299 V301 A318 F413V284-L430 HydrophobicContact CG1-CD1 3.76Å; V284-L430 HydrophobicContact CG1-CD2 4.04Å; L288-L430 HydrophobicContact CD2-CB 4.49Å; C299-L430 HydrophobicContact CB-CD1 3.87Å; C299-L430 CarbonylContact O-C 3.43Å; C299-L430 VanDerWaalsContact O-CA 3.31Å; C299-L430 WeakPolarHBondContact O-CA 3.47Å; V301-L430 HydrophobicContact CG2-CD1 3.82Å; A318-L430 HydrophobicContact CB-CD2 4.43Å; F413-L430 WeakPolarHBondContact CA-O 3.31Å; F413-L430 HydrophobicContact CB-CB 4.14Å; F413-L430 HydrophobicContact CB-CD2 4.32Å; F413-L430 HydrophobicContact CB-CG 4.4Å; F413-L430 HydrophobicContact CD2-CD2 4.28Å; F413-L430 HydrophobicContact CD2-CG 4.32Å; F413-L430 PolarHBondContact N-O 3.2Å; F413-L430 PolarHBondContact O-N 2.92Å; F413-L430 VanDerWaalsContact O-O 3.05Å
431V96.8Very high93.8Very high0 Ų045.7 Ų45.70%025%0.249CC..EExtended strand (participates in β ladder)trans-111.5116.3-177.3-171.70000109.3C299 Y300 V301 I410 Q411 V412 R429 V433 L460C299-V431 PolarHBondContact O-N 3.3Å; Y300-V431 CarbonylContact C-O 3.53Å; Y300-V431 WeakPolarHBondContact CA-O 3.29Å; Y300-V431 HydrophobicContact CD1-CB 3.62Å; Y300-V431 HydrophobicContact CD1-CG1 3.9Å; Y300-V431 HydrophobicContact CD1-CG2 4.16Å; Y300-V431 HydrophobicContact CE1-CB 3.67Å; Y300-V431 HydrophobicContact CE1-CG1 3.8Å; Y300-V431 HydrophobicContact CE1-CG2 3.75Å; Y300-V431 HydrophobicContact CE2-CG2 4.39Å; Y300-V431 HydrophobicContact CG-CB 4.18Å; V301-V431 PolarHBondContact N-O 3.13Å; I410-V431 HydrophobicContact CG2-CG1 3.93Å; Q411-V431 CarbonylContact O-C 3.6Å; Q411-V431 WeakPolarHBondContact O-CA 3.01Å; V412-V431 HydrophobicContact CG2-CG1 4.33Å; V412-V431 HydrophobicContact CG2-CG2 4.31Å; R429-V431 HydrophobicContact CG-CG2 3.89Å; V431-V433 HydrophobicContact CG1-CG2 3.88Å; V431-L460 HydrophobicContact CG1-CD1 4.08Å
432Y97.3Very high93.6Very high2 Ų250.8 Ų50.81%0.00827%0.272CS..EExtended strand (participates in β ladder)trans-84.6132168.1171-94.8000109.6D303 F311 L314 M409 I410 Q411D303-Y432 HydrophobicContact CB-CE2 3.54Å; D303-Y432 PolarHBondContact OD2-OH 3.5Å; F311-Y432 HydrophobicContact CB-CE2 4.49Å; F311-Y432 AromaticContact CD2-CD1 3.99Å; F311-Y432 HydrophobicContact CD2-CD1 3.99Å; F311-Y432 HydrophobicContact CD2-CE1 4.03Å; F311-Y432 HydrophobicContact CD2-CG 4.32Å; L314-Y432 HydrophobicContact CD2-CD2 3.89Å; L314-Y432 HydrophobicContact CD2-CG 4.46Å; M409-Y432 HydrophobicContact CB-CE1 4.48Å; I410-Y432 WeakPolarHBondContact CA-O 3.4Å; Q411-Y432 HydrophobicContact CB-CD1 4.39Å; Q411-Y432 PolarHBondContact N-O 2.83Å; Q411-Y432 PolarHBondContact O-N 3.01Å
433V97.6Very high93.4Very high1 Ų148.4 Ų48.41%0.00626%0.258CS..EExtended strand (participates in β ladder)trans-132.2129.5179.2-174.80000109.1Y300 V301 S302 D303 M409 V431 L453 V456 I659Y300-V433 HydrophobicContact CD1-CG2 4.27Å; V301-V433 PolarHBondContact O-N 3.34Å; S302-V433 CarbonylContact C-O 3.56Å; S302-V433 VanDerWaalsContact CA-O 3.26Å; S302-V433 WeakPolarHBondContact CA-O 3.19Å; D303-V433 PolarHBondContact N-O 3.43Å; M409-V433 WeakPolarHBondContact O-CA 3.21Å; V431-V433 HydrophobicContact CG1-CG2 3.88Å; V433-L453 HydrophobicContact CB-CD2 4.02Å; V433-L453 HydrophobicContact CG1-CD2 4.41Å; V433-L453 HydrophobicContact CG2-CD2 3.99Å; V433-V456 HydrophobicContact CG1-CG1 4.44Å; V433-V456 HydrophobicContact CG2-CG1 4.05Å; V433-I659 HydrophobicContact CG1-CD1 4.15Å; V433-I659 HydrophobicContact CG1-CG2 4.43Å
434S96.4Very high93.3Very high0 Ų045.5 Ų45.50%024%0.244CC..EExtended strand (participates in β ladder)trans-121.4119.1164.4-178.50000107.1D303 A306 G408 M409D303-S434 PolarHBondContact O-OG 3.12Å; A306-S434 WeakPolarHBondContact CB-OG 3.4Å; G408-S434 CarbonylContact C-O 3.49Å; G408-S434 VanDerWaalsContact CA-O 3.27Å; G408-S434 WeakPolarHBondContact CA-O 3.42Å; M409-S434 PolarHBondContact N-O 2.99Å; M409-S434 PolarHBondContact O-N 3.34Å
435R95.1Very high93Very high7 Ų747.7 Ų47.73%0.02624%0.244CC..  trans-66.7152.8178.156.7178.8-74.7144.4-5.8111H406 G448 A452 E664H406-R435 PolarHBondContact NE2-O 2.88Å; R435-G448 PolarHBondContact NH1-O 2.91Å; R435-A452 HydrophobicContact CB-CB 4.32Å; R435-E664 IonicContact NH1-OE1 3.03Å
436E95.8Very high92.9Very high31 Ų3145.7 Ų45.715%0.14523%0.232CC..  trans-66.9137.1173.3-175.6174176.300110.4R438 I659 S660 C661E436-R438 HydrophobicContact CG-CG 4.39Å; E436-R438 IonicContact OE1-CZ 2.88Å; E436-R438 IonicContact OE1-NE 3.93Å; E436-R438 PolarHBondContact OE1-NE 2.79Å; E436-R438 VanDerWaalsContact OE1-NE 3.07Å; E436-R438 IonicContact OE1-NH2 3.91Å; E436-R438 PolarHBondContact OE1-NH2 3.46Å; E436-I659 PolarHBondContact N-O 3.33Å; E436-S660 VanDerWaalsContact OE2-CA 3.31Å; E436-S660 WeakPolarHBondContact OE2-CA 3.36Å; E436-S660 VanDerWaalsContact OE2-CB 3.22Å; E436-S660 WeakPolarHBondContact OE2-CB 3.46Å; E436-C661 HydrophobicContact CB-CB 4.44Å; E436-C661 HydrophobicContact CG-CB 4.33Å
437K94.3Very high92.8Very high23 Ų2343.2 Ų43.210%0.122%0.221CC..BIsolated β-bridgetrans-130.3133.3173.9-64.9-172.6-179.4-174.10109.1D304 R404 D405 H406D304-K437 VanDerWaalsContact CG-NZ 3.31Å; D304-K437 PolarHBondContact O-NZ 3.47Å; D304-K437 IonicContact OD1-NZ 3.24Å; D304-K437 IonicContact OD2-NZ 2.61Å; D304-K437 PolarHBondContact OD2-NZ 2.84Å; R404-K437 CarbonylContact O-C 3.48Å; D405-K437 CarbonylContact C-O 3.55Å; D405-K437 VanDerWaalsContact CA-O 3.28Å; D405-K437 WeakPolarHBondContact CA-O 3.28Å; H406-K437 PolarHBondContact N-O 3.02Å; H406-K437 PolarHBondContact O-N 3.05Å; H406-K437 VanDerWaalsContact O-N 3.17Å
438R94.5Very high92.7Very high109 Ų10943.1 Ų43.141%0.41122%0.22SC..  trans-133.4147.3176.6-61.6-60.7-179.189.89.2110.1R404 D405 E436 G440 Y441R404-R438 CarbonylContact O-C 3.51Å; D405-R438 WeakPolarHBondContact OD1-CD 3.27Å; D405-R438 IonicContact OD1-NE 2.8Å; E436-R438 HydrophobicContact CG-CG 4.39Å; E436-R438 IonicContact OE1-CZ 2.88Å; E436-R438 IonicContact OE1-NE 3.93Å; E436-R438 PolarHBondContact OE1-NE 2.79Å; E436-R438 VanDerWaalsContact OE1-NE 3.07Å; E436-R438 IonicContact OE1-NH2 3.91Å; E436-R438 PolarHBondContact OE1-NH2 3.46Å; R438-G440 PolarHBondContact O-N 3.44Å; R438-Y441 HydrophobicContact CB-CD2 4.05Å; R438-Y441 PolarHBondContact O-N 3.31Å
439P91.8Very high92.6Very high89 Ų8943 Ų4358%0.57822%0.22SC*.THydrogen-bonded Turntrans-56.1135.5172.3-23.133.5000111.3D405D405-P439 HydrophobicContact CB-CG 4.17Å
440G87.1Confident92.7Very high89 Ų8939.5 Ų39.592%0.91821%0.206SC*.THydrogen-bonded Turntrans90.2-11.3-18000000115.4R438R438-G440 PolarHBondContact O-N 3.44Å
441Y88.5Confident92.7Very high95 Ų9539.5 Ų39.537%0.37321%0.206SC..  trans-93.9132.3174.1-80.7-101.5000111.7R438 C661 E665R438-Y441 HydrophobicContact CB-CD2 4.05Å; R438-Y441 PolarHBondContact O-N 3.31Å; Y441-C661 HydrophobicContact CD1-CB 4.03Å; Y441-C661 HydrophobicContact CG-CB 4.16Å; Y441-E665 HydrophobicContact CE1-CG 4.3Å; Y441-E665 WeakPolarHBondContact CE1-OE1 3.32Å; Y441-E665 PolarHBondContact OH-OE1 3.25Å
442Q86.1Confident92.7Very high123 Ų12339.6 Ų39.658%0.57521%0.207SC*.  trans-79.2128.8172.2-176.965.2-46.900110.1
443H86.6Confident92.7Very high68 Ų6839.5 Ų39.532%0.31521%0.207SC..  trans-109.7-1.5-17162.185.1000114.4K445H443-K445 PolarHBondContact O-N 3.42Å
444H88Confident92.7Very high64 Ų6439.4 Ų39.430%0.29621%0.206SC..  trans55.723.3170.3-56.4-72.4000116.8K446 A447 G448 Y677H444-K446 PolarHBondContact O-N 2.96Å; H444-A447 PolarHBondContact O-N 3.35Å; H444-G448 PolarHBondContact O-N 2.91Å; H444-Y677 HydrophobicContact CB-CD1 3.81Å; H444-Y677 HydrophobicContact CB-CD2 4.29Å; H444-Y677 HydrophobicContact CB-CE1 3.79Å; H444-Y677 HydrophobicContact CB-CE2 4.28Å; H444-Y677 HydrophobicContact CB-CG 4.08Å; H444-Y677 AromaticContact CD2-CD2 3.42Å; H444-Y677 VanDerWaalsContact CD2-CD2 3.42Å; H444-Y677 WeakPolarHBondContact CD2-CD2 3.44Å; H444-Y677 AromaticContact CD2-CE2 3.27Å; H444-Y677 WeakPolarHBondContact CD2-CE2 3.38Å; H444-Y677 AromaticContact CD2-CZ 3.79Å; H444-Y677 AromaticContact CE1-CD2 3.56Å; H444-Y677 AromaticContact CE1-CG 4Å; H444-Y677 AromaticContact CG-CD1 3.92Å; H444-Y677 AromaticContact CG-CD2 3.53Å; H444-Y677 AromaticContact CG-CE2 3.69Å; H444-Y677 AromaticContact CG-CG 3.66Å; H444-Y677 AromaticContact CG-CZ 3.97Å; H444-Y677 AromaticContact ND1-CD2 3.62Å; H444-Y677 AromaticContact ND1-CG 3.64Å; H444-Y677 AromaticContact NE2-CD2 3.46Å; H444-Y677 WeakPolarHBondContact NE2-CD2 3.24Å; H444-Y677 AromaticContact NE2-CE2 3.66Å
445K86.6Confident92.7Very high81 Ų8139.5 Ų39.535%0.35221%0.207SC..Hα-helixtrans48.8-133.1176-55.4170.8-173.7159.70111.2H443 A447 G448 A449 F858H443-K445 PolarHBondContact O-N 3.42Å; K445-A447 PolarHBondContact O-N 3.3Å; K445-G448 PolarHBondContact O-N 3.49Å; K445-A449 PolarHBondContact O-N 3.42Å; K445-A449 VanDerWaalsContact O-N 3.14Å; K445-F858 HydrophobicContact CD-CB 4.27Å; K445-F858 HydrophobicContact CD-CD1 4.18Å; K445-F858 HydrophobicContact CD-CD2 4.49Å; K445-F858 HydrophobicContact CD-CG 4.09Å; K445-F858 VanDerWaalsContact NZ-CB 3.27Å
446K90.1Very high92.8Very high41 Ų4139.1 Ų39.118%0.17821%0.205CC..Hα-helixtrans-59.2-44.5-178.7-172.7175.8-179.1-173.60112.7S268 H444 G448 A449 E450 D470 G540S268-K446 WeakPolarHBondContact OG-CE 3.47Å; H444-K446 PolarHBondContact O-N 2.96Å; K446-G448 PolarHBondContact O-N 2.94Å; K446-A449 WeakPolarHBondContact O-CA 3.47Å; K446-A449 WeakPolarHBondContact O-CB 3.36Å; K446-A449 PolarHBondContact O-N 2.87Å; K446-E450 WeakPolarHBondContact CE-OE1 3.32Å; K446-E450 HydrophobicContact CG-CG 4.06Å; K446-E450 WeakPolarHBondContact O-CG 3.36Å; K446-E450 PolarHBondContact O-N 3.5Å; K446-D470 IonicContact NZ-OD1 2.69Å; K446-D470 PolarHBondContact NZ-OD1 3.48Å; K446-G540 PolarHBondContact NZ-O 2.6Å; K446-G540 VanDerWaalsContact NZ-O 3.14Å
447A92.7Very high92.8Very high5 Ų537.7 Ų37.74%0.04120%0.198CC..Hα-helixtrans-55.1-41.9178.600000112.4H444 K445 N451 W675 Y677 E682H444-A447 PolarHBondContact O-N 3.35Å; K445-A447 PolarHBondContact O-N 3.3Å; A447-N451 WeakPolarHBondContact O-CB 3.02Å; A447-N451 VanDerWaalsContact O-CG 3.29Å; A447-N451 PolarHBondContact O-N 3.17Å; A447-N451 PolarHBondContact O-ND2 3.47Å; A447-W675 HydrophobicContact CB-CB 4.04Å; A447-Y677 HydrophobicContact CB-CD1 3.68Å; A447-Y677 HydrophobicContact CB-CE1 3.8Å; A447-E682 HydrophobicContact CB-CB 4.1Å; A447-E682 HydrophobicContact CB-CG 3.85Å
448G93.8Very high92.9Very high0 Ų036.6 Ų36.60%019%0.194CC..Hα-helixtrans-65.6-45.4174.800000112.1R435 H444 K445 K446 N451 A452R435-G448 PolarHBondContact NH1-O 2.91Å; H444-G448 PolarHBondContact O-N 2.91Å; K445-G448 PolarHBondContact O-N 3.49Å; K446-G448 PolarHBondContact O-N 2.94Å; G448-N451 PolarHBondContact O-N 3.15Å; G448-A452 PolarHBondContact O-N 3.09Å
449A94.6Very high92.9Very high1 Ų131.5 Ų31.51%0.00818%0.175CC..Hα-helixtrans-57.9-48.9177.500000111.7D304 K445 K446 N451 A452 L453D304-A449 WeakPolarHBondContact OD1-CB 3.5Å; K445-A449 PolarHBondContact O-N 3.42Å; K445-A449 VanDerWaalsContact O-N 3.14Å; K446-A449 WeakPolarHBondContact O-CA 3.47Å; K446-A449 WeakPolarHBondContact O-CB 3.36Å; K446-A449 PolarHBondContact O-N 2.87Å; A449-N451 PolarHBondContact O-N 2.84Å; A449-A452 PolarHBondContact O-N 2.79Å; A449-L453 PolarHBondContact O-N 2.57Å
450E96Very high92.9Very high0 Ų027.8 Ų27.80%015%0.15CC..Hα-helixtrans-60.8-43.1177-63.2-56.3150.300111.7F266 K446 A452 L453 V454 N468 W675F266-E450 WeakPolarHBondContact CD2-OE2 3.46Å; K446-E450 WeakPolarHBondContact CE-OE1 3.32Å; K446-E450 HydrophobicContact CG-CG 4.06Å; K446-E450 WeakPolarHBondContact O-CG 3.36Å; K446-E450 PolarHBondContact O-N 3.5Å; E450-A452 PolarHBondContact O-N 3.12Å; E450-L453 CarbonylContact O-C 3.29Å; E450-L453 WeakPolarHBondContact O-CB 3.32Å; E450-L453 PolarHBondContact O-N 3.25Å; E450-L453 VanDerWaalsContact O-N 3.16Å; E450-V454 WeakPolarHBondContact O-CG2 3.34Å; E450-V454 PolarHBondContact O-N 3.03Å; E450-N468 PolarHBondContact OE1-OD1 2.96Å; E450-N468 PolarHBondContact OE2-OD1 3.11Å; E450-W675 HydrophobicContact CB-CD2 3.72Å; E450-W675 HydrophobicContact CB-CE3 3.87Å; E450-W675 HydrophobicContact CB-CG 4.03Å; E450-W675 HydrophobicContact CB-CZ3 4.33Å; E450-W675 HydrophobicContact CG-CD2 4.29Å; E450-W675 HydrophobicContact CG-CG 4.49Å
451N96.5Very high93.2Very high0 Ų024.6 Ų24.60%011%0.113CC..Hα-helixtrans-64-39.2176.9-77.3-19.6000112.7A447 G448 A449 L453 V454 R455 W669 G674 W675 Y677A447-N451 WeakPolarHBondContact O-CB 3.02Å; A447-N451 VanDerWaalsContact O-CG 3.29Å; A447-N451 PolarHBondContact O-N 3.17Å; A447-N451 PolarHBondContact O-ND2 3.47Å; G448-N451 PolarHBondContact O-N 3.15Å; A449-N451 PolarHBondContact O-N 2.84Å; N451-L453 VanDerWaalsContact C-N 3.33Å; N451-V454 PolarHBondContact O-N 3.33Å; N451-R455 WeakPolarHBondContact O-CG 3.42Å; N451-R455 PolarHBondContact O-N 2.78Å; N451-R455 VanDerWaalsContact O-N 3.17Å; N451-R455 PolarHBondContact O-NH1 2.95Å; N451-W669 HydrophobicContact CB-CE3 4Å; N451-W669 HydrophobicContact CB-CZ3 4.23Å; N451-G674 VanDerWaalsContact OD1-CA 3.31Å; N451-G674 WeakPolarHBondContact OD1-CA 3.45Å; N451-W675 PolarHBondContact ND2-O 3.41Å; N451-W675 PolarHBondContact OD1-N 2.95Å; N451-Y677 WeakPolarHBondContact ND2-CE1 3.41Å; N451-Y677 VanDerWaalsContact ND2-CZ 3.3Å; N451-Y677 PolarHBondContact ND2-OH 3.15Å
452A96.9Very high93.6Very high2 Ų220.1 Ų20.12%0.01710%0.095CC..Hα-helixtrans-63.2-41172.900000111.2R435 G448 A449 E450 R455 V456 I659R435-A452 HydrophobicContact CB-CB 4.32Å; G448-A452 PolarHBondContact O-N 3.09Å; A449-A452 PolarHBondContact O-N 2.79Å; E450-A452 PolarHBondContact O-N 3.12Å; A452-R455 PolarHBondContact O-N 3.29Å; A452-V456 WeakPolarHBondContact O-CB 3.19Å; A452-V456 PolarHBondContact O-N 3.16Å; A452-I659 HydrophobicContact CB-CG2 4.26Å
453L98Very high94.1Very high0 Ų014.2 Ų14.20%07%0.068CC..Hα-helixtrans-62.1-42.5174-74.5-176.7000112.5F266 Y300 V433 A449 E450 N451 R455 V456 S457F266-L453 HydrophobicContact CB-CD1 3.73Å; F266-L453 HydrophobicContact CD1-CB 4.22Å; F266-L453 HydrophobicContact CD1-CD1 4.11Å; F266-L453 HydrophobicContact CD2-CB 3.64Å; F266-L453 HydrophobicContact CD2-CD1 3.89Å; F266-L453 HydrophobicContact CD2-CG 4.45Å; F266-L453 HydrophobicContact CE1-CB 4.07Å; F266-L453 HydrophobicContact CE2-CB 3.46Å; F266-L453 VanDerWaalsContact CE2-CB 3.46Å; F266-L453 HydrophobicContact CG-CB 4.04Å; F266-L453 HydrophobicContact CG-CD1 3.65Å; F266-L453 HydrophobicContact CG-CG 4.48Å; F266-L453 VanDerWaalsContact CZ-C 3.42Å; F266-L453 HydrophobicContact CZ-CB 3.7Å; F266-L453 WeakPolarHBondContact CZ-O 3.5Å; Y300-L453 HydrophobicContact CD1-CD2 4.38Å; V433-L453 HydrophobicContact CB-CD2 4.02Å; V433-L453 HydrophobicContact CG1-CD2 4.41Å; V433-L453 HydrophobicContact CG2-CD2 3.99Å; A449-L453 PolarHBondContact O-N 2.57Å; E450-L453 CarbonylContact O-C 3.29Å; E450-L453 WeakPolarHBondContact O-CB 3.32Å; E450-L453 PolarHBondContact O-N 3.25Å; E450-L453 VanDerWaalsContact O-N 3.16Å; N451-L453 VanDerWaalsContact C-N 3.33Å; L453-R455 VanDerWaalsContact C-N 3.28Å; L453-R455 PolarHBondContact O-N 3.13Å; L453-V456 HydrophobicContact CD2-CG1 4.23Å; L453-V456 WeakPolarHBondContact O-CG1 3.46Å; L453-V456 PolarHBondContact O-N 3.33Å; L453-S457 WeakPolarHBondContact O-CB 3.5Å; L453-S457 PolarHBondContact O-N 3Å
454V97.5Very high94.5Very high0 Ų012 Ų120%06%0.059CC..Hα-helixtrans-57.8-43.7176.3173.10000110.8F266 E450 N451 A458 I466 R547 L550 Y551 W669 W675F266-V454 HydrophobicContact CE2-CG2 3.85Å; E450-V454 WeakPolarHBondContact O-CG2 3.34Å; E450-V454 PolarHBondContact O-N 3.03Å; N451-V454 PolarHBondContact O-N 3.33Å; V454-A458 WeakPolarHBondContact O-CB 3.37Å; V454-A458 PolarHBondContact O-N 3.38Å; V454-I466 HydrophobicContact CG1-CD1 4.43Å; V454-I466 HydrophobicContact CG2-CD1 4.03Å; V454-R547 PolarHBondContact O-NH1 3.17Å; V454-L550 HydrophobicContact CG2-CD1 4.46Å; V454-Y551 HydrophobicContact CG1-CD1 4.34Å; V454-Y551 HydrophobicContact CG1-CE1 3.6Å; V454-W669 HydrophobicContact CB-CH2 4.3Å; V454-W669 HydrophobicContact CB-CZ3 4.42Å; V454-W669 HydrophobicContact CG1-CH2 3.79Å; V454-W669 HydrophobicContact CG1-CZ3 4.24Å; V454-W675 HydrophobicContact CG2-CE3 4.18Å; V454-W675 HydrophobicContact CG2-CZ3 3.63Å
455R96.9Very high95Very high1 Ų19.3 Ų9.30%0.0045%0.047CC..Hα-helixtrans-69.8-49.4-179.8-66.4-168.7-56.3-92.88.6112.2N451 A452 L453 S457 A458 V459 F631 V658 E664 W669N451-R455 WeakPolarHBondContact O-CG 3.42Å; N451-R455 PolarHBondContact O-N 2.78Å; N451-R455 VanDerWaalsContact O-N 3.17Å; N451-R455 PolarHBondContact O-NH1 2.95Å; A452-R455 PolarHBondContact O-N 3.29Å; L453-R455 VanDerWaalsContact C-N 3.28Å; L453-R455 PolarHBondContact O-N 3.13Å; R455-S457 PolarHBondContact O-N 2.93Å; R455-A458 WeakPolarHBondContact O-CB 3.46Å; R455-A458 PolarHBondContact O-N 2.98Å; R455-V459 PolarHBondContact O-N 3.15Å; R455-F631 HydrophobicContact CB-CE2 4.3Å; R455-F631 HydrophobicContact CG-CE1 4.43Å; R455-F631 HydrophobicContact CG-CE2 4.27Å; R455-F631 HydrophobicContact CG-CZ 4.09Å; R455-V658 HydrophobicContact CB-CB 4.15Å; R455-V658 HydrophobicContact CB-CG2 4.09Å; R455-V658 PolarHBondContact NE-O 3.31Å; R455-V658 PolarHBondContact NH2-O 3.36Å; R455-V658 VanDerWaalsContact NH2-O 3.08Å; R455-E664 IonicContact CZ-OE1 2.6Å; R455-E664 VanDerWaalsContact CZ-OE1 3.29Å; R455-E664 IonicContact NH1-OE1 2.98Å; R455-E664 PolarHBondContact NH1-OE1 2.94Å; R455-E664 IonicContact NH2-OE1 3.19Å; R455-E664 PolarHBondContact NH2-OE1 3.35Å; R455-W669 HydrophobicContact CG-CH2 3.7Å; R455-W669 HydrophobicContact CG-CZ2 3.39Å; R455-W669 HydrophobicContact CG-CZ3 4.37Å
456V96.5Very high95.6Very high0 Ų05.5 Ų5.50%03%0.03CC..Hα-helixtrans-65.3-40.3-176.679.20000111.7Y300 I410 V433 A452 L453 A458 V459 L460 A655 I659Y300-V456 HydrophobicContact CD1-CG1 4.23Å; Y300-V456 HydrophobicContact CE1-CG1 4.26Å; I410-V456 HydrophobicContact CD1-CG2 3.46Å; I410-V456 VanDerWaalsContact CD1-CG2 3.46Å; I410-V456 HydrophobicContact CG1-CG2 4.42Å; V433-V456 HydrophobicContact CG1-CG1 4.44Å; V433-V456 HydrophobicContact CG2-CG1 4.05Å; A452-V456 WeakPolarHBondContact O-CB 3.19Å; A452-V456 PolarHBondContact O-N 3.16Å; L453-V456 HydrophobicContact CD2-CG1 4.23Å; L453-V456 WeakPolarHBondContact O-CG1 3.46Å; L453-V456 PolarHBondContact O-N 3.33Å; V456-A458 VanDerWaalsContact C-N 3.32Å; V456-A458 PolarHBondContact O-N 3.17Å; V456-V459 PolarHBondContact O-N 3.44Å; V456-V459 VanDerWaalsContact O-N 3.16Å; V456-L460 HydrophobicContact CG2-CD1 4.12Å; V456-L460 WeakPolarHBondContact O-CG 3.42Å; V456-L460 PolarHBondContact O-N 3.13Å; V456-L460 VanDerWaalsContact O-N 3.15Å; V456-A655 HydrophobicContact CG2-CB 3.73Å; V456-I659 HydrophobicContact CB-CG2 3.73Å; V456-I659 HydrophobicContact CG2-CG2 3.98Å
457S97Very high96Very high0 Ų03.5 Ų3.50%02%0.021CC..Hα-helixtrans-71.6-29.5-179.7112.80000111.7D264 Y300 L453 R455 V459 L460 T461 N462 R547D264-S457 WeakPolarHBondContact OD2-CB 3.48Å; D264-S457 PolarHBondContact OD2-OG 3.49Å; Y300-S457 VanDerWaalsContact CZ-CB 3.47Å; L453-S457 WeakPolarHBondContact O-CB 3.5Å; L453-S457 PolarHBondContact O-N 3Å; R455-S457 PolarHBondContact O-N 2.93Å; S457-V459 PolarHBondContact O-N 3.46Å; S457-L460 PolarHBondContact O-N 3.31Å; S457-T461 PolarHBondContact O-N 3.21Å; S457-T461 PolarHBondContact O-OG1 2.97Å; S457-N462 PolarHBondContact O-N 3.34Å; S457-R547 PolarHBondContact OG-NH2 2.96Å
458A95.1Very high96.3Very high0 Ų03.3 Ų3.30%02%0.019CC..Hα-helixtrans-63.3-28.7171.400000113.5V454 R455 V456 N462 Y551 F631 S634V454-A458 WeakPolarHBondContact O-CB 3.37Å; V454-A458 PolarHBondContact O-N 3.38Å; R455-A458 WeakPolarHBondContact O-CB 3.46Å; R455-A458 PolarHBondContact O-N 2.98Å; V456-A458 VanDerWaalsContact C-N 3.32Å; V456-A458 PolarHBondContact O-N 3.17Å; A458-N462 WeakPolarHBondContact O-CB 3.4Å; A458-Y551 WeakPolarHBondContact CB-OH 3.49Å; A458-F631 HydrophobicContact CB-CD2 3.7Å; A458-F631 HydrophobicContact CB-CE2 3.44Å; A458-F631 VanDerWaalsContact CB-CE2 3.44Å; A458-S634 WeakPolarHBondContact O-CB 3.4Å; A458-S634 PolarHBondContact O-OG 3.45Å
459V94.2Very high96.4Very high2 Ų23.3 Ų3.31%0.0122%0.019CC..Hα-helixtrans-80.9-36.9176.5177.70000111.1R455 V456 S457 V630 F631 L651 E654 A655 V658R455-V459 PolarHBondContact O-N 3.15Å; V456-V459 PolarHBondContact O-N 3.44Å; V456-V459 VanDerWaalsContact O-N 3.16Å; S457-V459 PolarHBondContact O-N 3.46Å; V459-V630 HydrophobicContact CG1-CG1 4.43Å; V459-F631 HydrophobicContact CG2-CB 4.41Å; V459-F631 HydrophobicContact CG2-CD2 4.47Å; V459-L651 HydrophobicContact CG1-CB 4.45Å; V459-L651 HydrophobicContact CG1-CD2 4.04Å; V459-E654 HydrophobicContact CG1-CB 4.1Å; V459-E654 HydrophobicContact CG1-CG 4.19Å; V459-A655 HydrophobicContact CG1-CB 4.23Å; V459-V658 HydrophobicContact CG2-CG1 4.35Å; V459-V658 HydrophobicContact CG2-CG2 4.14Å
460L93Very high96.3Very high11 Ų115 Ų56%0.0583%0.028CC..Hα-helixtrans-91-37.4-169.9-66.1179.4000115Y300 I410 R429 V431 V456 S457 L651 A655Y300-L460 HydrophobicContact CE1-CD1 4.11Å; Y300-L460 WeakPolarHBondContact OH-CB 3.05Å; I410-L460 HydrophobicContact CG2-CD1 4.44Å; R429-L460 PolarHBondContact NH1-O 3.15Å; V431-L460 HydrophobicContact CG1-CD1 4.08Å; V456-L460 HydrophobicContact CG2-CD1 4.12Å; V456-L460 WeakPolarHBondContact O-CG 3.42Å; V456-L460 PolarHBondContact O-N 3.13Å; V456-L460 VanDerWaalsContact O-N 3.15Å; S457-L460 PolarHBondContact O-N 3.31Å; L460-L651 HydrophobicContact CD2-CB 4.31Å; L460-A655 HydrophobicContact CD1-CB 4.37Å; L460-A655 HydrophobicContact CD2-CB 3.92Å; L460-A655 HydrophobicContact CG-CB 4.08Å
461T93.6Very high96.1Very high22 Ų225.3 Ų5.314%0.1353%0.031CC..THydrogen-bonded Turntrans-136.2-32-174.155.40000113D264 Y300 S457 A463D264-T461 VanDerWaalsContact CG-OG1 3.31Å; D264-T461 PolarHBondContact OD1-OG1 3.44Å; D264-T461 PolarHBondContact OD2-OG1 3.35Å; D264-T461 VanDerWaalsContact OD2-OG1 3.06Å; Y300-T461 VanDerWaalsContact OH-CG2 3.27Å; Y300-T461 WeakPolarHBondContact OH-CG2 3.31Å; Y300-T461 PolarHBondContact OH-OG1 3.35Å; Y300-T461 VanDerWaalsContact OH-OG1 3.09Å; S457-T461 PolarHBondContact O-N 3.21Å; S457-T461 PolarHBondContact O-OG1 2.97Å; T461-A463 PolarHBondContact O-N 3.47Å
462N95.1Very high95.8Very high1 Ų15.8 Ų5.81%0.0053%0.033CC..  trans50.451.8-179.8-165.620.7000113.4S457 A458 S634 G640 G641S457-N462 PolarHBondContact O-N 3.34Å; A458-N462 WeakPolarHBondContact O-CB 3.4Å; N462-S634 PolarHBondContact ND2-O 3.19Å; N462-S634 PolarHBondContact ND2-OG 3.39Å; N462-S634 PolarHBondContact OD1-OG 3.38Å; N462-G640 CarbonylContact O-C 3.54Å; N462-G640 WeakPolarHBondContact O-CA 3.31Å; N462-G641 WeakPolarHBondContact CB-O 3.31Å; N462-G641 PolarHBondContact ND2-O 2.91Å; N462-G641 PolarHBondContact O-N 3Å
463A97.2Very high95.6Very high0 Ų05.8 Ų5.80%03%0.033CC..  trans-69.6132.2176.500000111.1A262 D264 T461 F465 R547A262-A463 HydrophobicContact CB-CB 3.85Å; D264-A463 HydrophobicContact CB-CB 4.08Å; D264-A463 VanDerWaalsContact OD2-CB 3.31Å; D264-A463 WeakPolarHBondContact OD2-CB 3.47Å; D264-A463 PolarHBondContact OD2-N 2.98Å; T461-A463 PolarHBondContact O-N 3.47Å; A463-F465 PolarHBondContact O-N 3.25Å; A463-F465 VanDerWaalsContact O-N 3.13Å; A463-R547 WeakPolarHBondContact O-CD 3.02Å; A463-R547 PolarHBondContact O-NE 3.28Å
464P96.4Very high95.5Very high20 Ų206 Ų613%0.133%0.034CC..SBendtrans-64.6-18.9179.426.8-35.7000113.4A261 A262 R547A261-P464 HydrophobicContact CB-CG 4.03Å; A262-P464 WeakPolarHBondContact O-CD 3.46Å; P464-R547 VanDerWaalsContact O-CB 3.26Å; P464-R547 WeakPolarHBondContact O-CB 3.32Å; P464-R547 PolarHBondContact O-N 2.95Å
465F98.2Very high95.5Very high9 Ų96 Ų64%0.0393%0.034CC..EExtended strand (participates in β ladder)trans-121.5142.4177.2-55.5-63.8000112A261 V263 D264 A463 M485 L488 M489 V544 F545 R546A261-F465 HydrophobicContact CB-CD2 3.72Å; A261-F465 HydrophobicContact CB-CE2 3.51Å; V263-F465 WeakPolarHBondContact CA-O 3.32Å; V263-F465 HydrophobicContact CG2-CB 4.36Å; D264-F465 PolarHBondContact N-O 3.28Å; A463-F465 PolarHBondContact O-N 3.25Å; A463-F465 VanDerWaalsContact O-N 3.13Å; F465-M485 HydrophobicContact CB-CE 4.26Å; F465-M485 HydrophobicContact CD2-CE 3.91Å; F465-M485 HydrophobicContact CD2-SD 3.69Å; F465-M485 HydrophobicContact CE2-SD 3.87Å; F465-M485 HydrophobicContact CG-CE 4.15Å; F465-M485 HydrophobicContact CG-SD 4.47Å; F465-L488 HydrophobicContact CD1-CB 4.41Å; F465-L488 HydrophobicContact CD1-CD1 3.83Å; F465-L488 HydrophobicContact CD1-CD2 4.47Å; F465-L488 HydrophobicContact CD1-CG 4.47Å; F465-L488 HydrophobicContact CE1-CB 3.77Å; F465-L488 HydrophobicContact CE1-CD1 4.01Å; F465-L488 HydrophobicContact CE1-CD2 4.06Å; F465-L488 HydrophobicContact CE1-CG 4.17Å; F465-L488 HydrophobicContact CE2-CB 4.35Å; F465-L488 HydrophobicContact CG-CD1 4.28Å; F465-L488 HydrophobicContact CZ-CB 3.74Å; F465-M489 HydrophobicContact CE2-CG 4.39Å; F465-V544 HydrophobicContact CB-CG1 4.03Å; F465-F545 CarbonylContact C-O 3.54Å; F465-F545 WeakPolarHBondContact CA-O 3.18Å; F465-R546 HydrophobicContact CD1-CB 4.41Å; F465-R546 HydrophobicContact CE1-CB 4.34Å; F465-R546 HydrophobicContact CE1-CG 4.39Å
466I98.6Very high95.4Very high0 Ų06.3 Ų6.30%04%0.035CC..EExtended strand (participates in β ladder)trans-124.4125180-55.6178.4000108.4D264 F266 V454 V544 F545 R547 L550D264-I466 CarbonylContact O-C 3.6Å; D264-I466 VanDerWaalsContact O-CA 3.31Å; D264-I466 WeakPolarHBondContact O-CA 3.36Å; F266-I466 HydrophobicContact CD1-CG2 4.11Å; F266-I466 HydrophobicContact CD2-CG2 3.49Å; F266-I466 VanDerWaalsContact CD2-CG2 3.49Å; F266-I466 HydrophobicContact CE1-CG2 4.05Å; F266-I466 HydrophobicContact CE2-CD1 4.1Å; F266-I466 HydrophobicContact CE2-CG2 3.41Å; F266-I466 VanDerWaalsContact CE2-CG2 3.41Å; F266-I466 HydrophobicContact CG-CG2 3.86Å; F266-I466 HydrophobicContact CZ-CD1 4.09Å; F266-I466 HydrophobicContact CZ-CG1 4.47Å; F266-I466 HydrophobicContact CZ-CG2 3.7Å; V454-I466 HydrophobicContact CG1-CD1 4.43Å; V454-I466 HydrophobicContact CG2-CD1 4.03Å; I466-V544 CarbonylContact O-C 3.51Å; I466-V544 WeakPolarHBondContact O-CA 3.46Å; I466-F545 PolarHBondContact N-O 3.36Å; I466-F545 PolarHBondContact O-N 3.08Å; I466-R547 HydrophobicContact CD1-CB 4.42Å; I466-R547 VanDerWaalsContact CD1-CZ 3.44Å; I466-R547 VanDerWaalsContact CG1-NH2 3.32Å; I466-L550 HydrophobicContact CD1-CD1 3.81Å
467L98.5Very high95.3Very high0 Ų07 Ų70%04%0.039CC..EExtended strand (participates in β ladder)trans-104.7115.2175.2-163.7158.9000109.9V263 D264 F265 F266 L469 V481 T543 V544 F707V263-L467 HydrophobicContact CG1-CB 4.08Å; D264-L467 PolarHBondContact O-N 3.19Å; F265-L467 CarbonylContact C-O 3.59Å; F265-L467 WeakPolarHBondContact CA-O 3.18Å; F265-L467 HydrophobicContact CD1-CB 4.09Å; F265-L467 HydrophobicContact CD1-CD1 4.34Å; F265-L467 HydrophobicContact CD1-CD2 3.79Å; F265-L467 HydrophobicContact CD1-CG 4.26Å; F265-L467 HydrophobicContact CD2-CB 4.47Å; F265-L467 HydrophobicContact CE1-CB 4.07Å; F265-L467 HydrophobicContact CE1-CD1 3.52Å; F265-L467 HydrophobicContact CE1-CD2 3.61Å; F265-L467 HydrophobicContact CE1-CG 3.9Å; F265-L467 HydrophobicContact CE2-CB 4.42Å; F265-L467 HydrophobicContact CE2-CD1 4.37Å; F265-L467 HydrophobicContact CG-CB 4.3Å; F265-L467 HydrophobicContact CZ-CB 4.21Å; F265-L467 HydrophobicContact CZ-CD1 3.5Å; F265-L467 HydrophobicContact CZ-CD2 4.41Å; F265-L467 HydrophobicContact CZ-CG 4.23Å; F266-L467 PolarHBondContact N-O 2.92Å; L467-L469 HydrophobicContact CD2-CD1 3.8Å; L467-L469 HydrophobicContact CD2-CD2 4.17Å; L467-L469 HydrophobicContact CD2-CG 3.52Å; L467-V481 HydrophobicContact CD1-CG2 4.26Å; L467-T543 WeakPolarHBondContact CA-O 3.35Å; L467-V544 HydrophobicContact CB-CG2 4.21Å; L467-V544 HydrophobicContact CD1-CG2 3.47Å; L467-V544 VanDerWaalsContact CD1-CG2 3.47Å; L467-V544 HydrophobicContact CG-CG2 3.71Å; L467-F707 HydrophobicContact CD1-CE1 4.49Å; L467-F707 HydrophobicContact CD1-CZ 3.76Å; L467-F707 HydrophobicContact CD2-CE1 4.27Å; L467-F707 HydrophobicContact CD2-CZ 3.98Å; L467-F707 HydrophobicContact CG-CZ 4.43Å
468N98.1Very high95.3Very high0 Ų07 Ų70%04%0.039CC..EExtended strand (participates in β ladder)trans-91.5133176.7-170.928.9000112.7E450 Y538 G540 G542 T543 F545 W675E450-N468 PolarHBondContact OE1-OD1 2.96Å; E450-N468 PolarHBondContact OE2-OD1 3.11Å; N468-Y538 PolarHBondContact ND2-OH 3.17Å; N468-G540 PolarHBondContact ND2-O 3Å; N468-G540 VanDerWaalsContact ND2-O 3.15Å; N468-G542 PolarHBondContact O-N 2.93Å; N468-T543 PolarHBondContact N-O 2.78Å; N468-T543 PolarHBondContact O-N 2.81Å; N468-F545 HydrophobicContact CB-CE2 4.41Å; N468-W675 HydrophobicContact CB-CZ2 4.44Å
469L96.2Very high95.4Very high0 Ų010.4 Ų10.40%05%0.054CC..EExtended strand (participates in β ladder)trans-135.8139.2173.7-74.7169.9000112.1F265 F266 V267 I287 L467 H473 V475 F707F265-L469 HydrophobicContact CD1-CD1 4.02Å; F265-L469 HydrophobicContact CE1-CD1 4.13Å; F266-L469 PolarHBondContact O-N 3.22Å; V267-L469 WeakPolarHBondContact CA-O 3.28Å; I287-L469 HydrophobicContact CD1-CD1 4.01Å; I287-L469 HydrophobicContact CG1-CD1 4.18Å; L467-L469 HydrophobicContact CD2-CD1 3.8Å; L467-L469 HydrophobicContact CD2-CD2 4.17Å; L467-L469 HydrophobicContact CD2-CG 3.52Å; L469-H473 HydrophobicContact CD2-CB 4.16Å; L469-V475 HydrophobicContact CD1-CG2 4.41Å; L469-F707 HydrophobicContact CD1-CD1 4.01Å; L469-F707 HydrophobicContact CD1-CE1 3.82Å; L469-F707 HydrophobicContact CD2-CB 4.33Å; L469-F707 HydrophobicContact CD2-CD1 3.46Å; L469-F707 VanDerWaalsContact CD2-CD1 3.46Å; L469-F707 HydrophobicContact CD2-CD2 4.38Å; L469-F707 HydrophobicContact CD2-CE1 3.8Å; L469-F707 HydrophobicContact CD2-CG 3.78Å; L469-F707 HydrophobicContact CD2-CZ 4.4Å; L469-F707 HydrophobicContact CG-CD1 4.35Å; L469-F707 HydrophobicContact CG-CE1 4.3Å
470D93.1Very high95.5Very high37 Ų3710.3 Ų10.320%0.1985%0.054CC..EExtended strand (participates in β ladder)trans-68.2150.9163.6-71.5-32.5000110.9K446 D472 H473 T541K446-D470 IonicContact NZ-OD1 2.69Å; K446-D470 PolarHBondContact NZ-OD1 3.48Å; D470-D472 WeakPolarHBondContact CB-OD1 3.09Å; D470-D472 PolarHBondContact O-N 3.3Å; D470-D472 VanDerWaalsContact O-N 3.08Å; D470-H473 PolarHBondContact O-N 2.99Å; D470-T541 PolarHBondContact N-OG1 2.99Å; D470-T541 VanDerWaalsContact N-OG1 3.1Å
471C91.9Very high95.7Very high7 Ų79.9 Ų9.95%0.0475%0.052CC..THydrogen-bonded Turntrans-58.1-24.5178.762.10000113.7V267 T280 T283V267-C471 HydrophobicContact CG1-CB 4.19Å; T280-C471 HydrophobicContact CG2-CB 4.38Å; T283-C471 WeakPolarHBondContact CB-O 3.25Å; T283-C471 PolarHBondContact OG1-O 2.84Å
472D89.1Confident95.9Very high10 Ų109.5 Ų9.55%0.0535%0.047CC..THydrogen-bonded Turntrans-92.41.3178.178-49000114.4I279 D470 G709 S710 K863I279-D472 HydrophobicContact CG2-CB 4.25Å; D470-D472 WeakPolarHBondContact CB-OD1 3.09Å; D470-D472 PolarHBondContact O-N 3.3Å; D470-D472 VanDerWaalsContact O-N 3.08Å; D472-G709 WeakPolarHBondContact O-CA 3.14Å; D472-S710 PolarHBondContact O-N 3.3Å; D472-K863 HydrophobicContact CB-CD 4.27Å; D472-K863 IonicContact OD1-NZ 3.08Å; D472-K863 PolarHBondContact OD1-NZ 3.12Å; D472-K863 WeakPolarHBondContact OD2-CD 3.36Å; D472-K863 WeakPolarHBondContact OD2-CE 3.4Å; D472-K863 IonicContact OD2-NZ 2.62Å; D472-K863 PolarHBondContact OD2-NZ 3.45Å
473H94.3Very high95.9Very high2 Ų210 Ų101%0.0095%0.05CC..EExtended strand (participates in β ladder)trans-111.9110.4178.5-77.476000111.6T283 L469 D470 F506 K708T283-H473 WeakPolarHBondContact CG2-O 3.28Å; L469-H473 HydrophobicContact CD2-CB 4.16Å; D470-H473 PolarHBondContact O-N 2.99Å; H473-F506 AromaticContact CE1-CE1 3.74Å; H473-F506 AromaticContact NE2-CE1 3.47Å; H473-F506 WeakPolarHBondContact NE2-CE1 3.42Å; H473-K708 CarbonylContact C-O 3.58Å; H473-K708 WeakPolarHBondContact CA-O 3.38Å
474Y95.7Very high96Very high5 Ų510 Ų102%0.025%0.05CC..EExtended strand (participates in β ladder)trans-98.4160.2-179.970.4-89.9000112.3P335 A337 F340 N476 D507 F707 K708P335-Y474 HydrophobicContact CB-CE2 3.77Å; P335-Y474 HydrophobicContact CG-CE2 4.48Å; A337-Y474 HydrophobicContact CB-CD1 4.49Å; A337-Y474 HydrophobicContact CB-CD2 3.52Å; A337-Y474 HydrophobicContact CB-CE2 4.11Å; A337-Y474 HydrophobicContact CB-CG 3.75Å; F340-Y474 HydrophobicContact CB-CE1 4.34Å; F340-Y474 HydrophobicContact CB-CE2 4.35Å; F340-Y474 AromaticContact CD1-CE1 3.99Å; F340-Y474 HydrophobicContact CD1-CE1 3.99Å; F340-Y474 AromaticContact CD2-CD1 3.46Å; F340-Y474 HydrophobicContact CD2-CD1 3.46Å; F340-Y474 VanDerWaalsContact CD2-CD1 3.46Å; F340-Y474 HydrophobicContact CD2-CD2 4.39Å; F340-Y474 AromaticContact CD2-CE1 3.26Å; F340-Y474 HydrophobicContact CD2-CE1 3.26Å; F340-Y474 HydrophobicContact CD2-CE2 4.23Å; F340-Y474 HydrophobicContact CD2-CG 4.05Å; F340-Y474 AromaticContact CD2-CZ 3.68Å; F340-Y474 HydrophobicContact CE1-CE1 4.07Å; F340-Y474 AromaticContact CE2-CD1 3.33Å; F340-Y474 HydrophobicContact CE2-CD1 3.33Å; F340-Y474 AromaticContact CE2-CE1 3.36Å; F340-Y474 HydrophobicContact CE2-CE1 3.36Å; F340-Y474 HydrophobicContact CE2-CG 4.2Å; F340-Y474 HydrophobicContact CG-CD1 4.27Å; F340-Y474 AromaticContact CG-CE1 3.59Å; F340-Y474 HydrophobicContact CG-CE1 3.59Å; F340-Y474 HydrophobicContact CG-CE2 4.41Å; F340-Y474 AromaticContact CG-CZ 3.67Å; F340-Y474 HydrophobicContact CZ-CD1 4.04Å; F340-Y474 AromaticContact CZ-CE1 3.77Å; F340-Y474 HydrophobicContact CZ-CE1 3.77Å; Y474-N476 HydrophobicContact CD2-CB 4.43Å; Y474-N476 HydrophobicContact CE2-CB 3.86Å; Y474-N476 PolarHBondContact O-N 3.33Å; Y474-D507 PolarHBondContact OH-OD2 2.99Å; Y474-F707 WeakPolarHBondContact O-CA 3.49Å; Y474-K708 HydrophobicContact CD1-CB 4.43Å; Y474-K708 WeakPolarHBondContact CD1-O 3.49Å; Y474-K708 HydrophobicContact CE1-CB 3.71Å; Y474-K708 WeakPolarHBondContact CE1-O 3.36Å; Y474-K708 HydrophobicContact CE2-CB 4.2Å; Y474-K708 PolarHBondContact N-O 3.37Å; Y474-K708 PolarHBondContact O-N 3.24Å; Y474-K708 WeakPolarHBondContact OH-CD 3.28Å
475V97.3Very high96Very high0 Ų09.1 Ų9.10%04%0.044CC..EExtended strand (participates in β ladder)trans-74.1108.5173.2-171.60000109.8S286 I287 L290 L469 N477 F707S286-V475 PolarHBondContact OG-N 2.83Å; I287-V475 HydrophobicContact CG1-CG2 3.89Å; L290-V475 HydrophobicContact CD2-CB 4.45Å; L290-V475 HydrophobicContact CD2-CG1 3.6Å; L290-V475 HydrophobicContact CD2-CG2 4.3Å; L290-V475 HydrophobicContact CG-CG1 4.48Å; L290-V475 HydrophobicContact CG-CG2 4.49Å; L469-V475 HydrophobicContact CD1-CG2 4.41Å; V475-N477 VanDerWaalsContact CG1-O 3.24Å; V475-N477 WeakPolarHBondContact CG1-O 3.1Å; V475-F707 HydrophobicContact CG2-CD1 4.34Å; V475-F707 HydrophobicContact CG2-CE1 4Å
476N95.5Very high95.9Very high7 Ų78.7 Ų8.74%0.0374%0.042CC..SBendtrans-88.6-37.8177173.246.7000112.3Y474 R704 P705 A706 K708Y474-N476 HydrophobicContact CD2-CB 4.43Å; Y474-N476 HydrophobicContact CE2-CB 3.86Å; Y474-N476 PolarHBondContact O-N 3.33Å; N476-R704 PolarHBondContact ND2-NE 2.94Å; N476-R704 PolarHBondContact O-NE 2.97Å; N476-R704 PolarHBondContact OD1-NE 3.3Å; N476-R704 VanDerWaalsContact OD1-NE 3.11Å; N476-R704 PolarHBondContact OD1-NH2 3.21Å; N476-P705 WeakPolarHBondContact CB-O 3.39Å; N476-P705 PolarHBondContact ND2-O 3.47Å; N476-A706 PolarHBondContact N-O 2.81Å; N476-K708 HydrophobicContact CB-CB 4.16Å; N476-K708 HydrophobicContact CB-CD 4.09Å; N476-K708 HydrophobicContact CB-CG 4.01Å
477N94.4Very high95.8Very high13 Ų138.7 Ų8.77%0.074%0.042CC..SBendtrans-107.9116.7173.6175.64.9000109.5V475 K479 A480 E483 R704 A706V475-N477 VanDerWaalsContact CG1-O 3.24Å; V475-N477 WeakPolarHBondContact CG1-O 3.1Å; N477-K479 PolarHBondContact O-N 3.32Å; N477-K479 WeakPolarHBondContact OD1-CB 3.39Å; N477-K479 PolarHBondContact OD1-N 3.29Å; N477-A480 WeakPolarHBondContact O-CB 3.25Å; N477-A480 PolarHBondContact O-N 2.92Å; N477-E483 PolarHBondContact ND2-OE1 2.67Å; N477-R704 HydrophobicContact CB-CB 4.25Å; N477-R704 HydrophobicContact CB-CG 4.09Å; N477-A706 PolarHBondContact N-O 3.49Å; N477-A706 VanDerWaalsContact N-O 3.14Å
478S96.2Very high95.7Very high2 Ų29 Ų91%0.0144%0.044CC..THydrogen-bonded Turntrans-68.4-13.5-178.353.20000115.3D291 E334 R336D291-S478 PolarHBondContact N-O 3.46Å; E334-S478 PolarHBondContact OE1-N 2.93Å; E334-S478 PolarHBondContact OE1-OG 3.15Å; R336-S478 PolarHBondContact NE-OG 2.93Å; R336-S478 PolarHBondContact NH2-OG 2.91Å
479K96.2Very high95.5Very high70 Ų7010.4 Ų10.430%0.3045%0.051SC..THydrogen-bonded Turntrans-88.4-3.9176.8-58.9-65.4-167.6173.30113.5I244 D291 N477 V481 R482 E483I244-K479 HydrophobicContact CD1-CB 3.88Å; I244-K479 HydrophobicContact CD1-CG 4.33Å; D291-K479 HydrophobicContact CB-CD 4.24Å; D291-K479 IonicContact OD1-NZ 3.74Å; D291-K479 WeakPolarHBondContact OD2-CE 3.44Å; D291-K479 IonicContact OD2-NZ 3.54Å; D291-K479 PolarHBondContact OD2-NZ 3.4Å; N477-K479 PolarHBondContact O-N 3.32Å; N477-K479 WeakPolarHBondContact OD1-CB 3.39Å; N477-K479 PolarHBondContact OD1-N 3.29Å; K479-V481 VanDerWaalsContact C-N 3.26Å; K479-V481 PolarHBondContact O-N 3.07Å; K479-V481 VanDerWaalsContact O-N 3.13Å; K479-R482 WeakPolarHBondContact O-CA 3.43Å; K479-R482 WeakPolarHBondContact O-CB 3.44Å; K479-R482 PolarHBondContact O-N 3.11Å; K479-E483 PolarHBondContact O-N 3.1Å
480A96.4Very high95.3Very high1 Ų111 Ų111%0.0085%0.054CC..Hα-helixtrans-52.8-39.9-174.600000113.8N477 E483 A484 F502 A706 F707N477-A480 WeakPolarHBondContact O-CB 3.25Å; N477-A480 PolarHBondContact O-N 2.92Å; A480-E483 PolarHBondContact O-N 3.25Å; A480-A484 PolarHBondContact O-N 3.48Å; A480-F502 WeakPolarHBondContact O-CZ 3.45Å; A480-A706 HydrophobicContact CB-CB 3.71Å; A480-F707 HydrophobicContact CB-CZ 4.22Å
481V97.3Very high95Very high2 Ų212.9 Ų12.91%0.0127%0.068CC..Hα-helixtrans-65.8-45.2176.9-178.40000111.4V263 F265 L290 Y292 L467 K479 E483 A484 M485V263-V481 HydrophobicContact CB-CG1 4.47Å; V263-V481 HydrophobicContact CG2-CG1 3.84Å; F265-V481 HydrophobicContact CE2-CG2 3.9Å; F265-V481 HydrophobicContact CZ-CG2 3.43Å; F265-V481 VanDerWaalsContact CZ-CG2 3.43Å; L290-V481 HydrophobicContact CD1-CG2 3.95Å; L290-V481 HydrophobicContact CD2-CG2 4.03Å; Y292-V481 HydrophobicContact CD2-CB 4.26Å; Y292-V481 HydrophobicContact CD2-CG1 3.86Å; Y292-V481 HydrophobicContact CE1-CG1 4.4Å; Y292-V481 HydrophobicContact CE2-CG1 3.74Å; Y292-V481 HydrophobicContact CG-CG1 4.25Å; L467-V481 HydrophobicContact CD1-CG2 4.26Å; K479-V481 VanDerWaalsContact C-N 3.26Å; K479-V481 PolarHBondContact O-N 3.07Å; K479-V481 VanDerWaalsContact O-N 3.13Å; V481-E483 VanDerWaalsContact C-N 3.26Å; V481-E483 PolarHBondContact O-N 2.97Å; V481-A484 WeakPolarHBondContact O-CB 3.44Å; V481-A484 PolarHBondContact O-N 2.98Å; V481-A484 VanDerWaalsContact O-N 3.13Å; V481-M485 HydrophobicContact CG1-CE 4.31Å; V481-M485 HydrophobicContact CG1-CG 4.47Å; V481-M485 WeakPolarHBondContact O-CG 3.48Å; V481-M485 PolarHBondContact O-N 2.83Å
482R97.4Very high94.7Very high13 Ų1318.5 Ų18.55%0.04910%0.102CC..Hα-helixtrans-60.3-39.8177.1-63.9179.8171.4-78.9-1.6111I244 L247 S248 E252 D291 Y292 K479 M485 C486I244-R482 HydrophobicContact CG1-CB 4.43Å; I244-R482 HydrophobicContact CG2-CB 3.83Å; I244-R482 HydrophobicContact CG2-CG 4.44Å; L247-R482 HydrophobicContact CD2-CB 4.25Å; L247-R482 WeakPolarHBondContact CD2-O 3.32Å; S248-R482 PolarHBondContact OG-NH1 3.19Å; E252-R482 VanDerWaalsContact CD-NH1 3.28Å; E252-R482 IonicContact OE1-CZ 3.26Å; E252-R482 IonicContact OE1-NH1 2.6Å; E252-R482 PolarHBondContact OE1-NH1 3.49Å; E252-R482 IonicContact OE1-NH2 3.84Å; E252-R482 PolarHBondContact OE1-NH2 2.8Å; E252-R482 IonicContact OE2-CZ 2.74Å; E252-R482 IonicContact OE2-NH1 2.85Å; E252-R482 PolarHBondContact OE2-NH1 2.57Å; E252-R482 IonicContact OE2-NH2 3.48Å; D291-R482 WeakPolarHBondContact O-CD 3.26Å; D291-R482 PolarHBondContact O-NE 3.29Å; D291-R482 IonicContact OD1-CZ 2.91Å; D291-R482 IonicContact OD1-NE 2.73Å; D291-R482 PolarHBondContact OD1-NE 2.72Å; D291-R482 IonicContact OD1-NH2 3.37Å; D291-R482 PolarHBondContact OD1-NH2 3.42Å; Y292-R482 HydrophobicContact CD2-CG 3.8Å; Y292-R482 HydrophobicContact CE2-CG 4.1Å; K479-R482 WeakPolarHBondContact O-CA 3.43Å; K479-R482 WeakPolarHBondContact O-CB 3.44Å; K479-R482 PolarHBondContact O-N 3.11Å; R482-M485 PolarHBondContact O-N 3.49Å; R482-C486 PolarHBondContact O-N 2.88Å; R482-C486 PolarHBondContact O-SG 3.26Å
483E96.8Very high94.6Very high13 Ų1319.5 Ų19.56%0.06111%0.108CC..Hα-helixtrans-64-40.7174.8-67.8-173.7-126.700112.6T242 I244 N477 K479 A480 V481 M485 C486 F487 P702T242-E483 HydrophobicContact CG2-CB 4.33Å; T242-E483 PolarHBondContact OG1-OE2 3.06Å; I244-E483 HydrophobicContact CD1-CG 3.66Å; I244-E483 HydrophobicContact CG1-CG 3.9Å; N477-E483 PolarHBondContact ND2-OE1 2.67Å; K479-E483 PolarHBondContact O-N 3.1Å; A480-E483 PolarHBondContact O-N 3.25Å; V481-E483 VanDerWaalsContact C-N 3.26Å; V481-E483 PolarHBondContact O-N 2.97Å; E483-M485 VanDerWaalsContact C-N 3.33Å; E483-M485 PolarHBondContact O-N 2.85Å; E483-C486 WeakPolarHBondContact O-CB 3.46Å; E483-C486 PolarHBondContact O-N 3.19Å; E483-F487 VanDerWaalsContact O-CD2 3.32Å; E483-F487 WeakPolarHBondContact O-CD2 3.48Å; E483-P702 WeakPolarHBondContact OE1-CB 3.23Å; E483-P702 WeakPolarHBondContact OE2-CB 3.45Å; E483-P702 WeakPolarHBondContact OE2-CG 3.12Å
484A97.6Very high94.4Very high0 Ų019.4 Ų19.40%011%0.108CC..Hα-helixtrans-63-40.6173.800000112A480 V481 C486 F487 L488 V500 F502 V544A480-A484 PolarHBondContact O-N 3.48Å; V481-A484 WeakPolarHBondContact O-CB 3.44Å; V481-A484 PolarHBondContact O-N 2.98Å; V481-A484 VanDerWaalsContact O-N 3.13Å; A484-C486 VanDerWaalsContact C-N 3.29Å; A484-C486 PolarHBondContact O-N 3.27Å; A484-F487 PolarHBondContact O-N 3.36Å; A484-F487 VanDerWaalsContact O-N 3.1Å; A484-L488 PolarHBondContact O-N 3.46Å; A484-L488 VanDerWaalsContact O-N 3.07Å; A484-V500 HydrophobicContact CB-CB 4.46Å; A484-F502 HydrophobicContact CB-CE2 4.12Å; A484-F502 HydrophobicContact CB-CZ 4.14Å; A484-V544 HydrophobicContact CB-CB 4.16Å; A484-V544 HydrophobicContact CB-CG1 4.46Å; A484-V544 HydrophobicContact CB-CG2 3.67Å
485M97.2Very high94.1Very high0 Ų023.9 Ų23.90%013%0.129CC..Hα-helixtrans-65.6-29.6177.6-65.8-50.8118.600113L247 A261 V263 Y292 F465 V481 R482 E483 F487 L488 M489 V544L247-M485 HydrophobicContact CD1-CB 4.36Å; L247-M485 HydrophobicContact CD2-CB 3.86Å; A261-M485 HydrophobicContact CB-SD 4.48Å; V263-M485 HydrophobicContact CG2-CE 3.69Å; V263-M485 HydrophobicContact CG2-SD 4.4Å; Y292-M485 HydrophobicContact CE2-CG 4.21Å; Y292-M485 WeakPolarHBondContact OH-CG 3.28Å; F465-M485 HydrophobicContact CB-CE 4.26Å; F465-M485 HydrophobicContact CD2-CE 3.91Å; F465-M485 HydrophobicContact CD2-SD 3.69Å; F465-M485 HydrophobicContact CE2-SD 3.87Å; F465-M485 HydrophobicContact CG-CE 4.15Å; F465-M485 HydrophobicContact CG-SD 4.47Å; V481-M485 HydrophobicContact CG1-CE 4.31Å; V481-M485 HydrophobicContact CG1-CG 4.47Å; V481-M485 WeakPolarHBondContact O-CG 3.48Å; V481-M485 PolarHBondContact O-N 2.83Å; R482-M485 PolarHBondContact O-N 3.49Å; E483-M485 VanDerWaalsContact C-N 3.33Å; E483-M485 PolarHBondContact O-N 2.85Å; M485-F487 PolarHBondContact O-N 3.03Å; M485-F487 VanDerWaalsContact O-N 3.11Å; M485-L488 HydrophobicContact CE-CD1 3.97Å; M485-L488 PolarHBondContact O-N 3.21Å; M485-M489 HydrophobicContact CB-CG 4.18Å; M485-M489 HydrophobicContact CB-SD 4.05Å; M485-M489 HydrophobicContact CG-SD 4.22Å; M485-M489 VanDerWaalsContact O-CB 3.31Å; M485-M489 WeakPolarHBondContact O-CB 3.44Å; M485-M489 PolarHBondContact O-N 3.13Å; M485-M489 HydrophobicContact SD-CG 4.08Å; M485-M489 HydrophobicContact SD-SD 4.15Å; M485-V544 HydrophobicContact CE-CG1 3.97Å
486C96.6Very high93.8Very high0 Ų026 Ų260%014%0.141CC..Hα-helixtrans-56.6-26.2172.3-65.80000112.7L169 T242 R482 E483 A484L169-C486 HydrophobicContact CB-CB 4.35Å; L169-C486 WeakPolarHBondContact CB-O 3.33Å; T242-C486 HydrophobicContact CG2-CB 4.04Å; R482-C486 PolarHBondContact O-N 2.88Å; R482-C486 PolarHBondContact O-SG 3.26Å; E483-C486 WeakPolarHBondContact O-CB 3.46Å; E483-C486 PolarHBondContact O-N 3.19Å; A484-C486 VanDerWaalsContact C-N 3.29Å; A484-C486 PolarHBondContact O-N 3.27Å
487F96.6Very high93.8Very high1 Ų125.7 Ų25.70%0.00414%0.139CC..Hα-helixtrans-94.7-44.9174.6-58.5-69.7000112.8S170 R240 T242 E483 A484 M485 G494 V500 I698 C700S170-F487 WeakPolarHBondContact OG-CD1 3.42Å; R240-F487 HydrophobicContact CB-CE1 4.21Å; R240-F487 HydrophobicContact CB-CZ 4.07Å; T242-F487 HydrophobicContact CG2-CD2 4.17Å; T242-F487 HydrophobicContact CG2-CE1 4.12Å; T242-F487 HydrophobicContact CG2-CE2 3.28Å; T242-F487 HydrophobicContact CG2-CZ 3.26Å; E483-F487 VanDerWaalsContact O-CD2 3.32Å; E483-F487 WeakPolarHBondContact O-CD2 3.48Å; A484-F487 PolarHBondContact O-N 3.36Å; A484-F487 VanDerWaalsContact O-N 3.1Å; M485-F487 PolarHBondContact O-N 3.03Å; M485-F487 VanDerWaalsContact O-N 3.11Å; F487-G494 WeakPolarHBondContact O-CA 3.38Å; F487-G494 PolarHBondContact O-N 3.29Å; F487-V500 HydrophobicContact CB-CG2 4.15Å; F487-V500 HydrophobicContact CD2-CG1 4.26Å; F487-V500 HydrophobicContact CD2-CG2 4.3Å; F487-I698 HydrophobicContact CB-CD1 3.9Å; F487-I698 HydrophobicContact CD1-CD1 3.9Å; F487-I698 HydrophobicContact CD1-CG2 4.06Å; F487-I698 HydrophobicContact CD2-CG2 4.12Å; F487-I698 HydrophobicContact CE1-CG2 4.14Å; F487-I698 HydrophobicContact CE2-CG2 4.2Å; F487-I698 HydrophobicContact CG-CD1 4.06Å; F487-I698 HydrophobicContact CG-CG2 4.04Å; F487-I698 HydrophobicContact CZ-CG2 4.2Å; F487-C700 HydrophobicContact CE2-CB 3.83Å
488L96Very high93.9Very high6 Ų625.1 Ų25.13%0.03114%0.136CC..Hα-helixtrans-76.9-28.5-170.5-70.2168.4000113.5F465 A484 M485 V497 V500 V544 R546F465-L488 HydrophobicContact CD1-CB 4.41Å; F465-L488 HydrophobicContact CD1-CD1 3.83Å; F465-L488 HydrophobicContact CD1-CD2 4.47Å; F465-L488 HydrophobicContact CD1-CG 4.47Å; F465-L488 HydrophobicContact CE1-CB 3.77Å; F465-L488 HydrophobicContact CE1-CD1 4.01Å; F465-L488 HydrophobicContact CE1-CD2 4.06Å; F465-L488 HydrophobicContact CE1-CG 4.17Å; F465-L488 HydrophobicContact CE2-CB 4.35Å; F465-L488 HydrophobicContact CG-CD1 4.28Å; F465-L488 HydrophobicContact CZ-CB 3.74Å; A484-L488 PolarHBondContact O-N 3.46Å; A484-L488 VanDerWaalsContact O-N 3.07Å; M485-L488 HydrophobicContact CE-CD1 3.97Å; M485-L488 PolarHBondContact O-N 3.21Å; L488-V497 HydrophobicContact CD2-CB 4.08Å; L488-V497 HydrophobicContact CD2-CG1 3.62Å; L488-V500 HydrophobicContact CD1-CG2 4.08Å; L488-V500 HydrophobicContact CD2-CG2 4.16Å; L488-V500 HydrophobicContact CG-CG2 3.85Å; L488-V544 HydrophobicContact CD1-CB 4.09Å; L488-V544 HydrophobicContact CD1-CG1 3.51Å; L488-R546 PolarHBondContact O-NH2 3.09Å
489M93.9Very high94Very high30 Ų3025 Ų2515%0.14814%0.135CC..SBendtrans-96.5-2.1176.9-60.3-171.96600113F251 L260 A261 F465 M485 P491F251-M489 HydrophobicContact CD1-CE 3.74Å; F251-M489 HydrophobicContact CD2-CE 4.24Å; F251-M489 HydrophobicContact CE1-CE 3.68Å; F251-M489 HydrophobicContact CE2-CB 4.26Å; F251-M489 HydrophobicContact CE2-CE 4.17Å; F251-M489 HydrophobicContact CG-CE 4.03Å; F251-M489 HydrophobicContact CZ-CB 4.3Å; F251-M489 HydrophobicContact CZ-CE 3.89Å; L260-M489 HydrophobicContact CD2-SD 4Å; A261-M489 HydrophobicContact CB-CE 4.3Å; A261-M489 HydrophobicContact CB-CG 4.5Å; A261-M489 HydrophobicContact CB-SD 3.94Å; F465-M489 HydrophobicContact CE2-CG 4.39Å; M485-M489 HydrophobicContact CB-CG 4.18Å; M485-M489 HydrophobicContact CB-SD 4.05Å; M485-M489 HydrophobicContact CG-SD 4.22Å; M485-M489 VanDerWaalsContact O-CB 3.31Å; M485-M489 WeakPolarHBondContact O-CB 3.44Å; M485-M489 PolarHBondContact O-N 3.13Å; M485-M489 HydrophobicContact SD-CG 4.08Å; M485-M489 HydrophobicContact SD-SD 4.15Å; M489-P491 WeakPolarHBondContact O-CD 3.33Å
490D91.5Very high94.1Very high11 Ų1121.7 Ų21.76%0.05912%0.121CC..  trans-69.1120.7172.9-170.8-48.4000109.4L169 V492 V493 G494L169-D490 HydrophobicContact CD1-CB 4.41Å; D490-V492 PolarHBondContact O-N 3Å; D490-V492 WeakPolarHBondContact OD1-CB 3.45Å; D490-V492 PolarHBondContact OD1-N 3.23Å; D490-V493 HydrophobicContact CB-CB 4.16Å; D490-V493 PolarHBondContact OD1-N 3.03Å; D490-G494 VanDerWaalsContact O-CA 3.28Å; D490-G494 WeakPolarHBondContact O-CA 3.49Å; D490-G494 PolarHBondContact O-N 3.27Å
491P86.4Confident94.2Very high78 Ų7821.6 Ų21.651%0.50612%0.12SC..THydrogen-bonded Turntrans-61.6-27.6-178-23.934.4000114.1M489 Q495M489-P491 WeakPolarHBondContact O-CD 3.33Å; P491-Q495 WeakPolarHBondContact O-CG 3.49Å; P491-Q495 PolarHBondContact O-NE2 2.6Å
492V85.7Confident94.2Very high125 Ų12521.6 Ų21.676%0.75812%0.12SC*.THydrogen-bonded Turntrans-88.9-46.2-176.8-177.10000110.3D490D490-V492 PolarHBondContact O-N 3Å; D490-V492 WeakPolarHBondContact OD1-CB 3.45Å; D490-V492 PolarHBondContact OD1-N 3.23Å
493V87.9Confident94.2Very high30 Ų3021.2 Ų21.218%0.18212%0.119CC..THydrogen-bonded Turntrans-88.6-38.1-173.8-178.80000112.1D490 V497 R696 I698D490-V493 HydrophobicContact CB-CB 4.16Å; D490-V493 PolarHBondContact OD1-N 3.03Å; V493-V497 HydrophobicContact CG1-CG2 4.4Å; V493-V497 VanDerWaalsContact O-CG2 3.22Å; V493-V497 WeakPolarHBondContact O-CG2 3.11Å; V493-R696 PolarHBondContact O-NH2 3.15Å; V493-I698 HydrophobicContact CG1-CD1 3.74Å
494G90.1Very high93.9Very high1 Ų121.7 Ų21.71%0.0112%0.121CC..G310 helixtrans-76.9-22.9-163.300000115.9F487 D490 D496 V497 R546F487-G494 WeakPolarHBondContact O-CA 3.38Å; F487-G494 PolarHBondContact O-N 3.29Å; D490-G494 VanDerWaalsContact O-CA 3.28Å; D490-G494 WeakPolarHBondContact O-CA 3.49Å; D490-G494 PolarHBondContact O-N 3.27Å; G494-D496 VanDerWaalsContact C-N 3.3Å; G494-D496 PolarHBondContact O-N 2.85Å; G494-V497 PolarHBondContact O-N 2.8Å; G494-V497 VanDerWaalsContact O-N 3.12Å; G494-R546 PolarHBondContact O-NH2 3.12Å
495Q88.6Confident93.7Very high99 Ų9925 Ų2546%0.46313%0.134SC..G310 helixtrans-57.7-40.5-175.8-71.4-174.6-2.600113P491 P556 W695P491-Q495 WeakPolarHBondContact O-CG 3.49Å; P491-Q495 PolarHBondContact O-NE2 2.6Å; Q495-P556 HydrophobicContact CB-CG 4.09Å; Q495-P556 VanDerWaalsContact O-CD 3.25Å; Q495-P556 WeakPolarHBondContact O-CD 3.19Å; Q495-P556 WeakPolarHBondContact O-CG 3.15Å; Q495-W695 WeakPolarHBondContact O-CZ3 3.49Å
496D91.5Very high93.4Very high45 Ų4526.8 Ų26.824%0.24114%0.142CC..G310 helixtrans-95.74.6-178.1-61.2-26000113.4G494 S557 R696G494-D496 VanDerWaalsContact C-N 3.3Å; G494-D496 PolarHBondContact O-N 2.85Å; D496-S557 WeakPolarHBondContact OD1-CB 3.43Å; D496-S557 PolarHBondContact OD1-OG 2.65Å; D496-R696 WeakPolarHBondContact O-CB 3.48Å; D496-R696 PolarHBondContact O-N 2.93Å
497V96.3Very high92.8Very high0 Ų028.6 Ų28.60%015%0.151CC..EExtended strand (participates in β ladder)trans-89.2118.4-176.7-178.80000109.7L488 V493 G494 V500 R546 R696 I698L488-V497 HydrophobicContact CD2-CB 4.08Å; L488-V497 HydrophobicContact CD2-CG1 3.62Å; V493-V497 HydrophobicContact CG1-CG2 4.4Å; V493-V497 VanDerWaalsContact O-CG2 3.22Å; V493-V497 WeakPolarHBondContact O-CG2 3.11Å; G494-V497 PolarHBondContact O-N 2.8Å; G494-V497 VanDerWaalsContact O-N 3.12Å; V497-V500 HydrophobicContact CG1-CG2 4.36Å; V497-R546 PolarHBondContact O-NE 2.97Å; V497-R696 CarbonylContact C-O 3.53Å; V497-R696 VanDerWaalsContact CA-O 3.26Å; V497-R696 WeakPolarHBondContact CA-O 3.46Å; V497-I698 HydrophobicContact CG1-CD1 4.18Å; V497-I698 HydrophobicContact CG1-CG1 4.28Å; V497-I698 HydrophobicContact CG2-CD1 3.51Å; V497-I698 HydrophobicContact CG2-CG1 4.07Å
498C96.2Very high91.8Very high0 Ų031.6 Ų31.60%018%0.182CC..EExtended strand (participates in β ladder)trans-88.8-34.3174.658.60000113.5F545 R546 A549 M690 W695 R696C498-F545 CarbonylContact O-C 3.5Å; C498-F545 WeakPolarHBondContact O-CA 3.47Å; C498-R546 PolarHBondContact O-N 3.03Å; C498-A549 HydrophobicContact CB-CB 3.68Å; C498-M690 HydrophobicContact CB-CE 3.63Å; C498-W695 HydrophobicContact CB-CB 3.55Å; C498-W695 HydrophobicContact CB-CD2 3.74Å; C498-W695 HydrophobicContact CB-CE3 3.79Å; C498-W695 HydrophobicContact CB-CG 3.66Å; C498-W695 VanDerWaalsContact SG-CB 3.53Å; C498-R696 PolarHBondContact N-O 3.24Å; C498-R696 PolarHBondContact SG-O 3.44Å
499F98.3Very high91Very high0 Ų032.6 Ų32.60%019%0.188CC..EExtended strand (participates in β ladder)trans-156.1154.2173.961.8-97.9000113.7Q501 P536 T543 V544 F545 M690 H691 S697 I698F499-Q501 HydrophobicContact CD2-CB 4.34Å; F499-Q501 HydrophobicContact CE2-CB 4.33Å; F499-P536 WeakPolarHBondContact CE2-O 3.45Å; F499-P536 WeakPolarHBondContact CZ-O 3.37Å; F499-T543 HydrophobicContact CB-CG2 3.77Å; F499-T543 HydrophobicContact CD2-CG2 3.65Å; F499-T543 HydrophobicContact CG-CG2 3.92Å; F499-V544 CarbonylContact C-O 3.48Å; F499-V544 WeakPolarHBondContact CA-O 3.37Å; F499-V544 WeakPolarHBondContact CB-O 3.34Å; F499-F545 HydrophobicContact CB-CD1 3.65Å; F499-F545 HydrophobicContact CB-CE1 3.96Å; F499-F545 HydrophobicContact CB-CG 4.12Å; F499-F545 HydrophobicContact CD1-CD1 4.02Å; F499-F545 AromaticContact CD1-CE1 3.74Å; F499-F545 HydrophobicContact CD1-CE1 3.74Å; F499-F545 HydrophobicContact CE1-CE1 4.47Å; F499-F545 HydrophobicContact CG-CD1 4.13Å; F499-F545 AromaticContact CG-CE1 3.95Å; F499-F545 HydrophobicContact CG-CE1 3.95Å; F499-M690 HydrophobicContact CD1-CE 4.49Å; F499-M690 HydrophobicContact CD1-SD 4.22Å; F499-M690 HydrophobicContact CE1-SD 4.42Å; F499-H691 AromaticContact CZ-NE2 3.9Å; F499-S697 VanDerWaalsContact O-CA 3.28Å; F499-S697 WeakPolarHBondContact O-CA 3.45Å; F499-S697 WeakPolarHBondContact O-CB 3.28Å; F499-I698 PolarHBondContact O-N 3.38Å
500V98.4Very high90Very high0 Ų032.3 Ų32.30%019%0.187CC..EExtended strand (participates in β ladder)trans-107.2118.4169.5-178.30000108.4A484 F487 L488 V497 F502 T543 V544 I698 C700A484-V500 HydrophobicContact CB-CB 4.46Å; F487-V500 HydrophobicContact CB-CG2 4.15Å; F487-V500 HydrophobicContact CD2-CG1 4.26Å; F487-V500 HydrophobicContact CD2-CG2 4.3Å; L488-V500 HydrophobicContact CD1-CG2 4.08Å; L488-V500 HydrophobicContact CD2-CG2 4.16Å; L488-V500 HydrophobicContact CG-CG2 3.85Å; V497-V500 HydrophobicContact CG1-CG2 4.36Å; V500-F502 HydrophobicContact CG1-CD2 4.5Å; V500-F502 HydrophobicContact CG1-CE2 3.99Å; V500-F502 HydrophobicContact CG1-CZ 4.29Å; V500-T543 WeakPolarHBondContact O-CA 3.1Å; V500-V544 PolarHBondContact N-O 3.47Å; V500-V544 PolarHBondContact O-N 3.21Å; V500-I698 CarbonylContact C-O 3.26Å; V500-I698 WeakPolarHBondContact CA-O 3.23Å; V500-I698 HydrophobicContact CG1-CG2 4.42Å; V500-I698 HydrophobicContact CG2-CB 4.38Å; V500-C700 HydrophobicContact CG1-CB 3.72Å
501Q98.3Very high89.3Confident0 Ų041.5 Ų41.50%023%0.226CC..EExtended strand (participates in β ladder)trans-97.8131177.4-179.263.56300110.2F499 P536 V539 T541 G542 T543 I698 Y699 C700F499-Q501 HydrophobicContact CD2-CB 4.34Å; F499-Q501 HydrophobicContact CE2-CB 4.33Å; Q501-P536 HydrophobicContact CB-CB 4.28Å; Q501-P536 HydrophobicContact CB-CG 3.69Å; Q501-P536 HydrophobicContact CG-CB 4.47Å; Q501-P536 HydrophobicContact CG-CG 4.4Å; Q501-V539 VanDerWaalsContact CD-CG2 3.43Å; Q501-V539 HydrophobicContact CG-CG2 4.25Å; Q501-V539 VanDerWaalsContact NE2-CG2 3.32Å; Q501-T541 PolarHBondContact NE2-O 3.11Å; Q501-G542 PolarHBondContact NE2-O 3.14Å; Q501-T543 VanDerWaalsContact CD-OG1 3.26Å; Q501-T543 PolarHBondContact NE2-OG1 2.94Å; Q501-T543 PolarHBondContact OE1-OG1 2.66Å; Q501-I698 PolarHBondContact N-O 3.14Å; Q501-Y699 HydrophobicContact CB-CD2 4.19Å; Q501-Y699 HydrophobicContact CG-CD2 4.16Å; Q501-Y699 HydrophobicContact CG-CE2 4.21Å; Q501-Y699 VanDerWaalsContact O-CD2 3.31Å; Q501-Y699 WeakPolarHBondContact O-CD2 3.28Å; Q501-C700 PolarHBondContact O-N 3.17Å
502F97.6Very high88.7Confident1 Ų140.3 Ų40.30%0.00422%0.22CC..PPolyproline II helixtrans-99.9152.9170.4-69.4-91000111.5A480 A484 V500 G542 V544 C700 P702 A706 F707A480-F502 WeakPolarHBondContact O-CZ 3.45Å; A484-F502 HydrophobicContact CB-CE2 4.12Å; A484-F502 HydrophobicContact CB-CZ 4.14Å; V500-F502 HydrophobicContact CG1-CD2 4.5Å; V500-F502 HydrophobicContact CG1-CE2 3.99Å; V500-F502 HydrophobicContact CG1-CZ 4.29Å; F502-G542 WeakPolarHBondContact CB-O 3.35Å; F502-G542 WeakPolarHBondContact CD2-O 3.44Å; F502-G542 PolarHBondContact N-O 2.69Å; F502-V544 HydrophobicContact CE2-CG2 4.35Å; F502-C700 HydrophobicContact CD1-CB 3.98Å; F502-C700 WeakPolarHBondContact CD1-O 3.25Å; F502-C700 HydrophobicContact CE1-CB 3.67Å; F502-C700 VanDerWaalsContact CE1-SG 3.55Å; F502-C700 HydrophobicContact CZ-CB 4.08Å; F502-P702 HydrophobicContact CD1-CG 3.97Å; F502-P702 HydrophobicContact CE1-CG 3.76Å; F502-A706 HydrophobicContact CB-CB 4.13Å; F502-A706 HydrophobicContact CD1-CB 3.37Å; F502-A706 HydrophobicContact CE1-CB 3.84Å; F502-A706 HydrophobicContact CG-CB 3.8Å; F502-F707 HydrophobicContact CB-CD2 3.93Å; F502-F707 HydrophobicContact CB-CE2 4.1Å; F502-F707 HydrophobicContact CD2-CD2 4.38Å; F502-F707 AromaticContact CD2-CE2 3.69Å; F502-F707 HydrophobicContact CD2-CE2 3.69Å; F502-F707 HydrophobicContact CE2-CE2 4.27Å; F502-F707 HydrophobicContact CG-CD2 4.22Å; F502-F707 AromaticContact CG-CE2 3.93Å; F502-F707 HydrophobicContact CG-CE2 3.93Å
503P95.8Very high88.5Confident5 Ų534.6 Ų34.63%0.03219%0.185CC..PPolyproline II helixtrans-62134.4171.522.7-31.8000111.2F523 Y699 C700 M701P503-F523 HydrophobicContact CB-CB 4.48Å; P503-Y699 WeakPolarHBondContact CA-OH 3.32Å; P503-Y699 VanDerWaalsContact CB-OH 3.32Å; P503-Y699 WeakPolarHBondContact CB-OH 3.44Å; P503-C700 WeakPolarHBondContact CD-O 3.34Å; P503-M701 HydrophobicContact CG-CG 4.22Å
504Q91.7Very high88Confident24 Ų2434.1 Ų34.111%0.11218%0.18CC..EExtended strand (participates in β ladder)trans-76.9126166.4-59.6177.916.700108.7F506 F523 V539 T541Q504-F506 HydrophobicContact CB-CE2 4.44Å; Q504-F506 HydrophobicContact CB-CZ 4.1Å; Q504-F523 HydrophobicContact CB-CE1 4.27Å; Q504-F523 HydrophobicContact CB-CE2 3.89Å; Q504-F523 HydrophobicContact CB-CZ 3.6Å; Q504-F523 HydrophobicContact CG-CE1 4.24Å; Q504-F523 HydrophobicContact CG-CZ 3.8Å; Q504-V539 HydrophobicContact CG-CG2 4.41Å; Q504-V539 PolarHBondContact NE2-O 2.92Å; Q504-T541 HydrophobicContact CG-CG2 3.74Å
505R93.7Very high87.6Confident70 Ų7034.2 Ų34.226%0.26418%0.18SC..EExtended strand (participates in β ladder)trans-124.9149.4174.3-60.8-61.6-177.9107.5-10108.2D524 P705 K708 G709R505-D524 IonicContact CZ-OD1 2.88Å; R505-D524 IonicContact CZ-OD2 3.82Å; R505-D524 IonicContact NH2-OD1 3.9Å; R505-D524 PolarHBondContact NH2-OD1 2.96Å; R505-D524 IonicContact NH2-OD2 3.29Å; R505-D524 PolarHBondContact NH2-OD2 3.17Å; R505-P705 HydrophobicContact CB-CB 4.04Å; R505-P705 HydrophobicContact CB-CG 4.4Å; R505-P705 HydrophobicContact CG-CB 3.8Å; R505-P705 HydrophobicContact CG-CG 4.02Å; R505-K708 HydrophobicContact CB-CG 4.25Å; R505-K708 CarbonylContact O-C 3.58Å; R505-K708 VanDerWaalsContact O-CA 3.22Å; R505-K708 WeakPolarHBondContact O-CA 3.46Å; R505-G709 PolarHBondContact O-N 3.42Å
506F90.2Very high87.5Confident37 Ų3729.8 Ų29.816%0.16216%0.16CC..EExtended strand (participates in β ladder)trans-125.4148.6-175.5-51.8-80.9000112H473 Q504 I509 N517 G709 A711H473-F506 AromaticContact CE1-CE1 3.74Å; H473-F506 AromaticContact NE2-CE1 3.47Å; H473-F506 WeakPolarHBondContact NE2-CE1 3.42Å; Q504-F506 HydrophobicContact CB-CE2 4.44Å; Q504-F506 HydrophobicContact CB-CZ 4.1Å; F506-I509 HydrophobicContact CB-CD1 3.81Å; F506-I509 HydrophobicContact CB-CG1 4.26Å; F506-I509 HydrophobicContact CD2-CD1 4.45Å; F506-N517 WeakPolarHBondContact CD2-O 3.12Å; F506-N517 WeakPolarHBondContact CE2-O 3.3Å; F506-G709 CarbonylContact C-O 3.54Å; F506-G709 WeakPolarHBondContact CA-O 3.4Å; F506-A711 HydrophobicContact CB-CB 3.74Å; F506-A711 HydrophobicContact CD1-CB 4.18Å; F506-A711 HydrophobicContact CD2-CB 4.41Å; F506-A711 HydrophobicContact CG-CB 3.87Å
507D84.4Confident87.2Confident37 Ų3728 Ų2820%0.19815%0.151CC..EExtended strand (participates in β ladder)trans-94.1171.6167.8-65.3-41.7000110.7Y474 I509 K708 G709Y474-D507 PolarHBondContact OH-OD2 2.99Å; D507-I509 VanDerWaalsContact C-N 3.25Å; D507-I509 PolarHBondContact O-N 3.32Å; D507-K708 WeakPolarHBondContact OD1-CD 3.31Å; D507-K708 WeakPolarHBondContact OD1-CE 3.08Å; D507-K708 IonicContact OD1-NZ 3.7Å; D507-K708 PolarHBondContact OD1-NZ 3.28Å; D507-G709 PolarHBondContact N-O 3.11Å
508G76.3Confident86.8Confident64 Ų6432.6 Ų32.666%0.6617%0.168SC*.SBendtrans71.910.9174.900000115.9
509I77.4Confident86.4Confident28 Ų2834 Ų3414%0.14418%0.176CC..  trans-79.7137.9177.4-55.7-176.5000110.1F506 D507 D513 N517 R518 A711F506-I509 HydrophobicContact CB-CD1 3.81Å; F506-I509 HydrophobicContact CB-CG1 4.26Å; F506-I509 HydrophobicContact CD2-CD1 4.45Å; D507-I509 VanDerWaalsContact C-N 3.25Å; D507-I509 PolarHBondContact O-N 3.32Å; I509-D513 HydrophobicContact CG2-CB 3.88Å; I509-D513 WeakPolarHBondContact CG2-OD1 3.37Å; I509-N517 HydrophobicContact CD1-CB 3.88Å; I509-N517 HydrophobicContact CG1-CB 4.36Å; I509-R518 HydrophobicContact CD1-CB 4.34Å; I509-R518 HydrophobicContact CD1-CG 3.42Å; I509-R518 VanDerWaalsContact CD1-CG 3.42Å; I509-R518 HydrophobicContact CG2-CG 4.43Å; I509-A711 HydrophobicContact CD1-CB 4.3Å; I509-A711 HydrophobicContact CG1-CB 4.1Å
510D74.4Confident86Confident23 Ų2335.1 Ų35.112%0.12318%0.181CC..  trans-62.8157.4174.881.5-61.1000112S512 D513 R514 F870 L873D510-S512 PolarHBondContact O-N 3.44Å; D510-S512 VanDerWaalsContact O-N 3.12Å; D510-S512 WeakPolarHBondContact OD2-CB 3.35Å; D510-S512 PolarHBondContact OD2-N 3.44Å; D510-S512 VanDerWaalsContact OD2-N 3.17Å; D510-S512 PolarHBondContact OD2-OG 3.32Å; D510-D513 PolarHBondContact O-N 2.89Å; D510-D513 VanDerWaalsContact O-N 3.15Å; D510-D513 WeakPolarHBondContact OD1-CA 3.22Å; D510-D513 PolarHBondContact OD1-N 3.09Å; D510-D513 VanDerWaalsContact OD1-N 3.09Å; D510-D513 PolarHBondContact OD2-N 3.37Å; D510-R514 PolarHBondContact OD1-N 3.38Å; D510-R514 VanDerWaalsContact OD1-N 3.12Å; D510-F870 HydrophobicContact CB-CD1 4.19Å; D510-F870 HydrophobicContact CB-CE1 4.26Å; D510-L873 HydrophobicContact CB-CD2 4Å
511K75.4Confident85.7Confident205 Ų20535.6 Ų35.689%0.89118%0.184SC*.THydrogen-bonded Turntrans-59.5-28.3-178-70.6-177.2179.3177.70113.2
512S74.9Confident85.4Confident53 Ų5338 Ų3837%0.37119%0.194SC..THydrogen-bonded Turntrans-94.3-1.1-177.474.10000114.8D510 R514 R826D510-S512 PolarHBondContact O-N 3.44Å; D510-S512 VanDerWaalsContact O-N 3.12Å; D510-S512 WeakPolarHBondContact OD2-CB 3.35Å; D510-S512 PolarHBondContact OD2-N 3.44Å; D510-S512 VanDerWaalsContact OD2-N 3.17Å; D510-S512 PolarHBondContact OD2-OG 3.32Å; S512-R514 PolarHBondContact O-N 2.96Å; S512-R514 VanDerWaalsContact O-N 3.13Å; S512-R826 PolarHBondContact O-NE 3.25Å
513D81.7Confident85.2Confident4 Ų438.2 Ų38.22%0.02120%0.196CC..  trans34.655-172.9-167.79.6000112.6I509 D510 Y515 A516 N517 R518 R826I509-D513 HydrophobicContact CG2-CB 3.88Å; I509-D513 WeakPolarHBondContact CG2-OD1 3.37Å; D510-D513 PolarHBondContact O-N 2.89Å; D510-D513 VanDerWaalsContact O-N 3.15Å; D510-D513 WeakPolarHBondContact OD1-CA 3.22Å; D510-D513 PolarHBondContact OD1-N 3.09Å; D510-D513 VanDerWaalsContact OD1-N 3.09Å; D510-D513 PolarHBondContact OD2-N 3.37Å; D513-Y515 PolarHBondContact O-N 2.92Å; D513-A516 PolarHBondContact O-N 2.88Å; D513-A516 WeakPolarHBondContact OD1-CA 3.49Å; D513-A516 PolarHBondContact OD1-N 3.42Å; D513-N517 PolarHBondContact OD1-N 2.77Å; D513-N517 PolarHBondContact OD2-N 2.83Å; D513-R518 VanDerWaalsContact OD2-CB 3.28Å; D513-R518 WeakPolarHBondContact OD2-CB 3.32Å; D513-R518 WeakPolarHBondContact OD2-CG 3.31Å; D513-R518 PolarHBondContact OD2-N 3.22Å; D513-R826 WeakPolarHBondContact O-CD 3.44Å; D513-R826 WeakPolarHBondContact O-CG 3.43Å
514R76.8Confident85.1Confident20 Ų2039.3 Ų39.38%0.07520%0.201CC..THydrogen-bonded Turntrans-58-24.1-167.1179.8178.752.9155.5-5.2113.5D510 S512 R826 L873 P930 G934D510-R514 PolarHBondContact OD1-N 3.38Å; D510-R514 VanDerWaalsContact OD1-N 3.12Å; S512-R514 PolarHBondContact O-N 2.96Å; S512-R514 VanDerWaalsContact O-N 3.13Å; R514-R826 WeakPolarHBondContact O-CD 3.42Å; R514-L873 PolarHBondContact NH2-O 2.99Å; R514-P930 HydrophobicContact CG-CB 4.15Å; R514-G934 VanDerWaalsContact NH1-CA 3.27Å
515Y80.8Confident85.2Confident3 Ų338.3 Ų38.31%0.01220%0.197CC..THydrogen-bonded Turntrans-108.213.9-178.2-56.1-41.4000113.7D513 N517 L715 F830D513-Y515 PolarHBondContact O-N 2.92Å; Y515-N517 PolarHBondContact O-N 2.9Å; Y515-N517 VanDerWaalsContact O-N 3.17Å; Y515-L715 HydrophobicContact CD1-CB 4.47Å; Y515-L715 HydrophobicContact CD1-CD1 3.84Å; Y515-L715 HydrophobicContact CE1-CB 3.86Å; Y515-L715 HydrophobicContact CE1-CD1 3.84Å; Y515-L715 HydrophobicContact CE1-CD2 4.27Å; Y515-L715 HydrophobicContact CE1-CG 4.2Å; Y515-L715 HydrophobicContact CE2-CB 4.02Å; Y515-L715 HydrophobicContact CG-CD1 4.44Å; Y515-F830 WeakPolarHBondContact O-CD2 3.17Å
516A87.1Confident85.3Confident6 Ų636.4 Ų36.45%0.0519%0.192CC..  trans49.939.5-179.500000112.5D513 R518 N519 R826 F830D513-A516 PolarHBondContact O-N 2.88Å; D513-A516 WeakPolarHBondContact OD1-CA 3.49Å; D513-A516 PolarHBondContact OD1-N 3.42Å; A516-R518 PolarHBondContact O-N 3.24Å; A516-N519 PolarHBondContact O-N 3.43Å; A516-R826 HydrophobicContact CB-CG 4.08Å; A516-F830 HydrophobicContact CB-CB 3.86Å; A516-F830 HydrophobicContact CB-CG 4.23Å
517N86.4Confident85.5Confident9 Ų934.8 Ų34.85%0.04819%0.185CC..THydrogen-bonded Turntrans-67.4-26-176.6-86.4-25.3000111.9F506 I509 D513 Y515 N519 A711 P712 R718F506-N517 WeakPolarHBondContact CD2-O 3.12Å; F506-N517 WeakPolarHBondContact CE2-O 3.3Å; I509-N517 HydrophobicContact CD1-CB 3.88Å; I509-N517 HydrophobicContact CG1-CB 4.36Å; D513-N517 PolarHBondContact OD1-N 2.77Å; D513-N517 PolarHBondContact OD2-N 2.83Å; Y515-N517 PolarHBondContact O-N 2.9Å; Y515-N517 VanDerWaalsContact O-N 3.17Å; N517-N519 PolarHBondContact O-N 3.26Å; N517-A711 HydrophobicContact CB-CB 4.02Å; N517-P712 PolarHBondContact ND2-O 3.27Å; N517-R718 WeakPolarHBondContact OD1-CD 3.33Å; N517-R718 PolarHBondContact OD1-NE 2.99Å
518R86.5Confident86Confident96 Ų9633.7 Ų33.736%0.36218%0.178SC..THydrogen-bonded Turntrans-66.2-27176-64.9174.3178.4166.24.3112.9I509 D513 A516 I520I509-R518 HydrophobicContact CD1-CB 4.34Å; I509-R518 HydrophobicContact CD1-CG 3.42Å; I509-R518 VanDerWaalsContact CD1-CG 3.42Å; I509-R518 HydrophobicContact CG2-CG 4.43Å; D513-R518 VanDerWaalsContact OD2-CB 3.28Å; D513-R518 WeakPolarHBondContact OD2-CB 3.32Å; D513-R518 WeakPolarHBondContact OD2-CG 3.31Å; D513-R518 PolarHBondContact OD2-N 3.22Å; A516-R518 PolarHBondContact O-N 3.24Å; R518-I520 HydrophobicContact CB-CG2 3.59Å; R518-I520 PolarHBondContact O-N 3.06Å; R518-I520 VanDerWaalsContact O-N 3.13Å
519N88.9Confident86.9Confident30 Ų3030.7 Ų30.716%0.1615%0.147CC..  trans47.739.7-177.7-16210.7000113.6A516 N517 V521 F522 F523A516-N519 PolarHBondContact O-N 3.43Å; N517-N519 PolarHBondContact O-N 3.26Å; N519-V521 VanDerWaalsContact C-N 3.27Å; N519-V521 PolarHBondContact O-N 3.49Å; N519-F522 PolarHBondContact O-N 2.82Å; N519-F522 WeakPolarHBondContact OD1-CB 3.48Å; N519-F523 HydrophobicContact CB-CD2 4.29Å; N519-F523 HydrophobicContact CB-CE2 4.25Å; N519-F523 WeakPolarHBondContact O-CD2 3.22Å; N519-F523 PolarHBondContact O-N 3.07Å
520I89.6Confident87.8Confident22 Ų2229.7 Ų29.711%0.11314%0.141CC..Hα-helixtrans-68-25.8-171.264.4175000113.3R518 F522 F523 D524 V819 D823R518-I520 HydrophobicContact CB-CG2 3.59Å; R518-I520 PolarHBondContact O-N 3.06Å; R518-I520 VanDerWaalsContact O-N 3.13Å; I520-F522 VanDerWaalsContact C-N 3.32Å; I520-F522 PolarHBondContact O-N 3.35Å; I520-F523 PolarHBondContact O-N 3.46Å; I520-D524 WeakPolarHBondContact O-CA 3.45Å; I520-D524 VanDerWaalsContact O-CB 3.25Å; I520-D524 WeakPolarHBondContact O-CB 3.41Å; I520-D524 PolarHBondContact O-N 3.09Å; I520-V819 HydrophobicContact CD1-CG1 3.91Å; I520-V819 HydrophobicContact CD1-CG2 4.41Å; I520-V819 HydrophobicContact CG1-CG1 4.19Å; I520-D823 HydrophobicContact CD1-CB 3.34Å; I520-D823 WeakPolarHBondContact CD1-OD2 3.41Å; I520-D823 HydrophobicContact CG1-CB 3.81Å
521V91Very high88.8Confident10 Ų1029 Ų296%0.06114%0.138CC..Hα-helixtrans-63.3-44176.2179.70000109.8N519 V525 N526 V819 L824 N827N519-V521 VanDerWaalsContact C-N 3.27Å; N519-V521 PolarHBondContact O-N 3.49Å; V521-V525 HydrophobicContact CG1-CG2 4.28Å; V521-V525 WeakPolarHBondContact O-CA 3.39Å; V521-V525 WeakPolarHBondContact O-CB 3.19Å; V521-V525 WeakPolarHBondContact O-CG2 3.38Å; V521-V525 PolarHBondContact O-N 3.17Å; V521-V525 VanDerWaalsContact O-N 3.09Å; V521-N526 PolarHBondContact O-N 3.5Å; V521-V819 HydrophobicContact CG2-CG1 4.43Å; V521-L824 HydrophobicContact CG1-CD1 4.36Å; V521-L824 HydrophobicContact CG2-CD1 4.02Å; V521-N827 HydrophobicContact CB-CB 4.48Å; V521-N827 HydrophobicContact CG2-CB 3.84Å
522F92.8Very high89.7Confident50 Ų5020.5 Ų20.522%0.21911%0.108CC..Iπ-helixtrans-64.6-49.3177177.6-103000112.2N519 I520 N526 M527 V537 V539N519-F522 PolarHBondContact O-N 2.82Å; N519-F522 WeakPolarHBondContact OD1-CB 3.48Å; I520-F522 VanDerWaalsContact C-N 3.32Å; I520-F522 PolarHBondContact O-N 3.35Å; F522-N526 HydrophobicContact CD2-CB 4.46Å; F522-N526 WeakPolarHBondContact O-CB 3.35Å; F522-N526 PolarHBondContact O-N 3.05Å; F522-M527 HydrophobicContact CD1-CE 4.27Å; F522-M527 HydrophobicContact CD2-CE 3.92Å; F522-M527 HydrophobicContact CE1-CE 3.68Å; F522-M527 HydrophobicContact CE1-CG 4.44Å; F522-M527 HydrophobicContact CE1-SD 4.35Å; F522-M527 HydrophobicContact CE2-CE 3.27Å; F522-M527 HydrophobicContact CG-CE 4.39Å; F522-M527 HydrophobicContact CZ-CE 3.14Å; F522-M527 HydrophobicContact CZ-SD 4.25Å; F522-M527 WeakPolarHBondContact O-CG 3.24Å; F522-M527 PolarHBondContact O-N 2.8Å; F522-V537 HydrophobicContact CZ-CG2 4.45Å; F522-V539 HydrophobicContact CE1-CG1 3.95Å; F522-V539 HydrophobicContact CZ-CG1 4.07Å
523F94.3Very high90.6Very high7 Ų718.7 Ų18.73%0.0319%0.094CC..Iπ-helixtrans-75.5-41-176-71.4-60.9000113.6P503 Q504 N519 I520 M527 V539 Y699P503-F523 HydrophobicContact CB-CB 4.48Å; Q504-F523 HydrophobicContact CB-CE1 4.27Å; Q504-F523 HydrophobicContact CB-CE2 3.89Å; Q504-F523 HydrophobicContact CB-CZ 3.6Å; Q504-F523 HydrophobicContact CG-CE1 4.24Å; Q504-F523 HydrophobicContact CG-CZ 3.8Å; N519-F523 HydrophobicContact CB-CD2 4.29Å; N519-F523 HydrophobicContact CB-CE2 4.25Å; N519-F523 WeakPolarHBondContact O-CD2 3.22Å; N519-F523 PolarHBondContact O-N 3.07Å; I520-F523 PolarHBondContact O-N 3.46Å; F523-M527 HydrophobicContact CD1-CG 4.26Å; F523-V539 HydrophobicContact CE1-CG2 4.29Å; F523-Y699 WeakPolarHBondContact CB-OH 3.5Å; F523-Y699 VanDerWaalsContact O-CE1 3.25Å; F523-Y699 WeakPolarHBondContact O-CE1 3.29Å; F523-Y699 PolarHBondContact O-OH 3.34Å
524D93.7Very high91.3Very high28 Ų2818.9 Ų18.915%0.1510%0.095CC..Iπ-helixtrans-101-3.5-171-61.2-5.7000113.5R505 I520 R528 V819R505-D524 IonicContact CZ-OD1 2.88Å; R505-D524 IonicContact CZ-OD2 3.82Å; R505-D524 IonicContact NH2-OD1 3.9Å; R505-D524 PolarHBondContact NH2-OD1 2.96Å; R505-D524 IonicContact NH2-OD2 3.29Å; R505-D524 PolarHBondContact NH2-OD2 3.17Å; I520-D524 WeakPolarHBondContact O-CA 3.45Å; I520-D524 VanDerWaalsContact O-CB 3.25Å; I520-D524 WeakPolarHBondContact O-CB 3.41Å; I520-D524 PolarHBondContact O-N 3.09Å; D524-R528 WeakPolarHBondContact O-CD 3.38Å; D524-R528 PolarHBondContact O-NH1 2.96Å; D524-V819 HydrophobicContact CB-CG2 4.18Å
525V93.8Very high92.2Very high3 Ų318 Ų182%0.0189%0.092CC..Iπ-helixtrans-120.6-62.7173.4-166.30000110.5K234 V521 G529 E813 W816 V819K234-V525 HydrophobicContact CD-CG1 4.38Å; V521-V525 HydrophobicContact CG1-CG2 4.28Å; V521-V525 WeakPolarHBondContact O-CA 3.39Å; V521-V525 WeakPolarHBondContact O-CB 3.19Å; V521-V525 WeakPolarHBondContact O-CG2 3.38Å; V521-V525 PolarHBondContact O-N 3.17Å; V521-V525 VanDerWaalsContact O-N 3.09Å; V525-G529 PolarHBondContact O-N 3.32Å; V525-G529 VanDerWaalsContact O-N 3.16Å; V525-E813 HydrophobicContact CG1-CG 3.89Å; V525-E813 WeakPolarHBondContact CG1-OE1 3.42Å; V525-W816 HydrophobicContact CB-CH2 4.33Å; V525-W816 HydrophobicContact CG1-CH2 3.54Å; V525-W816 HydrophobicContact CG1-CZ2 3.54Å; V525-V819 HydrophobicContact CG2-CG2 3.9Å
526N94.3Very high93Very high30 Ų3017.8 Ų17.816%0.169%0.091CC..Iπ-helixtrans-67.1-50.2-170.8-64.74.7000111.8K234 V521 F522 R528 G529 L530K234-N526 WeakPolarHBondContact CE-OD1 3.41Å; V521-N526 PolarHBondContact O-N 3.5Å; F522-N526 HydrophobicContact CD2-CB 4.46Å; F522-N526 WeakPolarHBondContact O-CB 3.35Å; F522-N526 PolarHBondContact O-N 3.05Å; N526-R528 VanDerWaalsContact C-N 3.29Å; N526-R528 PolarHBondContact O-N 2.72Å; N526-G529 WeakPolarHBondContact O-CA 3.34Å; N526-G529 PolarHBondContact O-N 2.73Å; N526-L530 WeakPolarHBondContact O-CG 3.32Å; N526-L530 PolarHBondContact O-N 3.12Å
527M95.6Very high93.4Very high3 Ų317.6 Ų17.62%0.0159%0.089CC..Hα-helixtrans-60.4-36.7-178.1-68.2-61.111200112.9F522 F523 L530 D531 P536 V537 Y699F522-M527 HydrophobicContact CD1-CE 4.27Å; F522-M527 HydrophobicContact CD2-CE 3.92Å; F522-M527 HydrophobicContact CE1-CE 3.68Å; F522-M527 HydrophobicContact CE1-CG 4.44Å; F522-M527 HydrophobicContact CE1-SD 4.35Å; F522-M527 HydrophobicContact CE2-CE 3.27Å; F522-M527 HydrophobicContact CG-CE 4.39Å; F522-M527 HydrophobicContact CZ-CE 3.14Å; F522-M527 HydrophobicContact CZ-SD 4.25Å; F522-M527 WeakPolarHBondContact O-CG 3.24Å; F522-M527 PolarHBondContact O-N 2.8Å; F523-M527 HydrophobicContact CD1-CG 4.26Å; M527-L530 HydrophobicContact CE-CD1 3.8Å; M527-L530 PolarHBondContact O-N 2.82Å; M527-L530 HydrophobicContact SD-CD1 4.34Å; M527-D531 WeakPolarHBondContact O-CB 3.33Å; M527-D531 PolarHBondContact O-N 3.35Å; M527-P536 HydrophobicContact CB-CB 4.44Å; M527-P536 HydrophobicContact SD-CB 3.64Å; M527-V537 HydrophobicContact CE-CG2 3.96Å; M527-V537 HydrophobicContact SD-CG2 4.24Å; M527-Y699 HydrophobicContact CB-CD1 3.88Å; M527-Y699 HydrophobicContact CB-CD2 4.03Å; M527-Y699 HydrophobicContact CB-CE1 3.6Å; M527-Y699 HydrophobicContact CB-CE2 3.79Å; M527-Y699 HydrophobicContact CB-CG 4.09Å; M527-Y699 HydrophobicContact CG-CE2 4.02Å
528R95.1Very high93.9Very high14 Ų1417.2 Ų17.25%0.0539%0.087CC..Hα-helixtrans-67.1-36174.7-70.1169.466.6-166.9-3112.7P237 I238 N239 D524 N526 D531 Y699 M701 S817P237-R528 WeakPolarHBondContact CA-O 3.4Å; I238-R528 PolarHBondContact N-O 3.26Å; N239-R528 PolarHBondContact ND2-NH2 3.12Å; N239-R528 PolarHBondContact OD1-NE 2.99Å; N239-R528 PolarHBondContact OD1-NH2 2.9Å; D524-R528 WeakPolarHBondContact O-CD 3.38Å; D524-R528 PolarHBondContact O-NH1 2.96Å; N526-R528 VanDerWaalsContact C-N 3.29Å; N526-R528 PolarHBondContact O-N 2.72Å; R528-D531 PolarHBondContact O-N 2.74Å; R528-Y699 HydrophobicContact CG-CD1 4.12Å; R528-Y699 HydrophobicContact CG-CE1 4.22Å; R528-M701 HydrophobicContact CG-CE 3.93Å; R528-M701 HydrophobicContact CG-SD 4.21Å; R528-S817 PolarHBondContact NH1-O 3Å
529G94.4Very high94.3Very high0 Ų013.5 Ų13.50%08%0.075CC..Hα-helixtrans-58.9-48.6171.100000111.8P233 V525 N526 D531 G532P233-G529 CarbonylContact O-C 3.36Å; V525-G529 PolarHBondContact O-N 3.32Å; V525-G529 VanDerWaalsContact O-N 3.16Å; N526-G529 WeakPolarHBondContact O-CA 3.34Å; N526-G529 PolarHBondContact O-N 2.73Å; G529-D531 VanDerWaalsContact C-N 3.34Å; G529-D531 PolarHBondContact O-N 3.23Å; G529-G532 PolarHBondContact O-N 3.34Å
530L95.8Very high94.5Very high7 Ų712.4 Ų12.44%0.0377%0.071CC..Hα-helixtrans-65-36.2178.3-59.9-177.9000113P233 N526 M527 G532 I533 Q534 G535 V537 A756P233-L530 HydrophobicContact CB-CD2 3.74Å; N526-L530 WeakPolarHBondContact O-CG 3.32Å; N526-L530 PolarHBondContact O-N 3.12Å; M527-L530 HydrophobicContact CE-CD1 3.8Å; M527-L530 PolarHBondContact O-N 2.82Å; M527-L530 HydrophobicContact SD-CD1 4.34Å; L530-G532 PolarHBondContact O-N 3.02Å; L530-I533 PolarHBondContact O-N 2.88Å; L530-Q534 PolarHBondContact O-N 3.49Å; L530-G535 PolarHBondContact O-N 3.46Å; L530-V537 HydrophobicContact CD1-CG1 4.26Å; L530-A756 HydrophobicContact CD2-CB 3.38Å
531D96Very high94.8Very high8 Ų811.4 Ų11.44%0.0437%0.066CC..Hα-helixtrans-60.2-29.9179.6-166.741.7000112.8I238 R240 M527 R528 G529 I533 Y699I238-D531 HydrophobicContact CD1-CB 4.3Å; I238-D531 WeakPolarHBondContact CD1-O 3.46Å; I238-D531 WeakPolarHBondContact CD1-OD2 3.41Å; I238-D531 HydrophobicContact CG1-CB 4.03Å; I238-D531 WeakPolarHBondContact CG1-OD2 3.25Å; R240-D531 WeakPolarHBondContact CD-OD2 3.29Å; R240-D531 IonicContact CZ-OD1 3.8Å; R240-D531 IonicContact CZ-OD2 3.15Å; R240-D531 IonicContact NE-OD1 3.82Å; R240-D531 PolarHBondContact NE-OD1 3.34Å; R240-D531 IonicContact NE-OD2 2.84Å; R240-D531 PolarHBondContact NE-OD2 3.23Å; R240-D531 IonicContact NH2-OD1 3.91Å; R240-D531 IonicContact NH2-OD2 3.82Å; M527-D531 WeakPolarHBondContact O-CB 3.33Å; M527-D531 PolarHBondContact O-N 3.35Å; R528-D531 PolarHBondContact O-N 2.74Å; G529-D531 VanDerWaalsContact C-N 3.34Å; G529-D531 PolarHBondContact O-N 3.23Å; D531-I533 VanDerWaalsContact C-N 3.29Å; D531-I533 PolarHBondContact O-N 3.01Å; D531-Y699 PolarHBondContact OD1-N 3.27Å
532G94.1Very high95.1Very high27 Ų2711.1 Ų11.128%0.2787%0.065SC..THydrogen-bonded Turntrans-78.6-8.217500000115.1S236 G529 L530S236-G532 WeakPolarHBondContact O-CA 3.44Å; G529-G532 PolarHBondContact O-N 3.34Å; L530-G532 PolarHBondContact O-N 3.02Å
533I94.6Very high95.3Very high15 Ų158.7 Ų8.78%0.0775%0.054CC..THydrogen-bonded Turntrans-102.8-77.6-179.9-59158.7000109.9P233 L530 D531 K750 L752 Q753P233-I533 VanDerWaalsContact O-CD1 3.28Å; P233-I533 WeakPolarHBondContact O-CD1 3.46Å; L530-I533 PolarHBondContact O-N 2.88Å; D531-I533 VanDerWaalsContact C-N 3.29Å; D531-I533 PolarHBondContact O-N 3.01Å; I533-K750 HydrophobicContact CG2-CB 3.93Å; I533-K750 HydrophobicContact CG2-CD 3.81Å; I533-K750 WeakPolarHBondContact O-CD 3.36Å; I533-K750 PolarHBondContact O-NZ 2.73Å; I533-L752 HydrophobicContact CD1-CB 3.74Å; I533-L752 HydrophobicContact CG1-CB 4.3Å; I533-L752 HydrophobicContact CG2-CB 4.06Å; I533-Q753 HydrophobicContact CG2-CB 4.09Å
534Q95.5Very high95.5Very high9 Ų98.4 Ų8.44%0.0425%0.053CC..THydrogen-bonded Turntrans-133.5-6.3-178.9-171.1162.9-8.900112.4L530 H691 W695 R696 S697 R748 K750 Q753L530-Q534 PolarHBondContact O-N 3.49Å; Q534-H691 PolarHBondContact NE2-O 3.16Å; Q534-H691 VanDerWaalsContact NE2-O 3.15Å; Q534-W695 PolarHBondContact NE2-O 3.34Å; Q534-R696 WeakPolarHBondContact O-CA 3.43Å; Q534-R696 WeakPolarHBondContact O-CG 3.41Å; Q534-S697 PolarHBondContact O-N 3.02Å; Q534-R748 PolarHBondContact NE2-O 2.73Å; Q534-K750 HydrophobicContact CB-CD 4.33Å; Q534-Q753 HydrophobicContact CB-CB 4.11Å; Q534-Q753 HydrophobicContact CB-CG 3.89Å
535G96Very high95.7Very high0 Ų07 Ų70%05%0.046CC..  trans117.9162.818000000113.4L530 S697 Q753L530-G535 PolarHBondContact O-N 3.46Å; G535-S697 WeakPolarHBondContact CA-O 3.47Å; G535-S697 VanDerWaalsContact CA-OG 3.23Å; G535-S697 WeakPolarHBondContact CA-OG 3.41Å; G535-Q753 PolarHBondContact O-NE2 3.45Å
536P97.1Very high95.9Very high0 Ų08.9 Ų8.90%05%0.052CC..PPolyproline II helixtrans-65.3156.8176.231.7-38.6000111.9F499 Q501 M527 H691 S697 Y699F499-P536 WeakPolarHBondContact CE2-O 3.45Å; F499-P536 WeakPolarHBondContact CZ-O 3.37Å; Q501-P536 HydrophobicContact CB-CB 4.28Å; Q501-P536 HydrophobicContact CB-CG 3.69Å; Q501-P536 HydrophobicContact CG-CB 4.47Å; Q501-P536 HydrophobicContact CG-CG 4.4Å; M527-P536 HydrophobicContact CB-CB 4.44Å; M527-P536 HydrophobicContact SD-CB 3.64Å; P536-H691 PolarHBondContact O-CE1 2.89Å; P536-S697 WeakPolarHBondContact CD-OG 2.9Å; P536-S697 PolarHBondContact O-OG 3.45Å; P536-Y699 HydrophobicContact CB-CD2 3.96Å; P536-Y699 HydrophobicContact CB-CG 4.37Å; P536-Y699 HydrophobicContact CG-CD2 3.95Å; P536-Y699 HydrophobicContact CG-CG 4.27Å
537V96.5Very high95.9Very high1 Ų17.6 Ų7.61%0.0065%0.045CC..PPolyproline II helixtrans-74.6156.6168.9-56.90000110.5F522 M527 L530 V539 Y757F522-V537 HydrophobicContact CZ-CG2 4.45Å; M527-V537 HydrophobicContact CE-CG2 3.96Å; M527-V537 HydrophobicContact SD-CG2 4.24Å; L530-V537 HydrophobicContact CD1-CG1 4.26Å; V537-V539 HydrophobicContact CG2-CG1 4.07Å; V537-Y757 HydrophobicContact CB-CE1 4.3Å; V537-Y757 HydrophobicContact CG1-CD1 4.17Å; V537-Y757 HydrophobicContact CG1-CE1 3.44Å; V537-Y757 VanDerWaalsContact CG1-CE1 3.44Å
538Y97.4Very high95.8Very high1 Ų18.9 Ų8.90%0.0045%0.051CC..PPolyproline II helixtrans-78.3132.8172.3173-136.4000110.1N468 G540 T543 F545 W675 D683N468-Y538 PolarHBondContact ND2-OH 3.17Å; Y538-G540 VanDerWaalsContact CZ-CA 3.44Å; Y538-G540 WeakPolarHBondContact OH-CA 3.22Å; Y538-G540 PolarHBondContact OH-O 3.37Å; Y538-T543 HydrophobicContact CD2-CG2 3.87Å; Y538-T543 VanDerWaalsContact CD2-OG1 3.32Å; Y538-T543 WeakPolarHBondContact CD2-OG1 3.36Å; Y538-T543 HydrophobicContact CE2-CG2 4.19Å; Y538-T543 VanDerWaalsContact CE2-OG1 3.28Å; Y538-T543 WeakPolarHBondContact CE2-OG1 3.44Å; Y538-F545 HydrophobicContact CD1-CE1 4.46Å; Y538-F545 AromaticContact CD1-CZ 3.73Å; Y538-F545 HydrophobicContact CD1-CZ 3.73Å; Y538-F545 HydrophobicContact CD2-CE2 4.16Å; Y538-F545 AromaticContact CD2-CZ 3.57Å; Y538-F545 HydrophobicContact CD2-CZ 3.57Å; Y538-F545 HydrophobicContact CE1-CE2 4.39Å; Y538-F545 AromaticContact CE1-CZ 3.78Å; Y538-F545 HydrophobicContact CE1-CZ 3.78Å; Y538-F545 AromaticContact CE2-CE2 3.78Å; Y538-F545 HydrophobicContact CE2-CE2 3.78Å; Y538-F545 AromaticContact CE2-CZ 3.59Å; Y538-F545 HydrophobicContact CE2-CZ 3.59Å; Y538-F545 HydrophobicContact CG-CE1 4.39Å; Y538-F545 AromaticContact CG-CZ 3.66Å; Y538-F545 HydrophobicContact CG-CZ 3.66Å; Y538-F545 AromaticContact CZ-CE2 3.91Å; Y538-F545 AromaticContact CZ-CZ 3.71Å; Y538-W675 HydrophobicContact CE1-CZ2 4.36Å; Y538-W675 AromaticContact CE1-NE1 3.52Å; Y538-W675 AromaticContact CZ-NE1 4Å; Y538-D683 VanDerWaalsContact CD1-CA 3.44Å; Y538-D683 HydrophobicContact CD1-CB 3.71Å; Y538-D683 WeakPolarHBondContact CD1-O 3.17Å; Y538-D683 HydrophobicContact CE1-CB 3.66Å; Y538-D683 HydrophobicContact CG-CB 4.33Å
539V94.6Very high95.7Very high19 Ų198.2 Ų8.212%0.1155%0.048CC..  trans-121.216-171.7-63.80000114.1Q501 Q504 F522 F523 V537Q501-V539 VanDerWaalsContact CD-CG2 3.43Å; Q501-V539 HydrophobicContact CG-CG2 4.25Å; Q501-V539 VanDerWaalsContact NE2-CG2 3.32Å; Q504-V539 HydrophobicContact CG-CG2 4.41Å; Q504-V539 PolarHBondContact NE2-O 2.92Å; F522-V539 HydrophobicContact CE1-CG1 3.95Å; F522-V539 HydrophobicContact CZ-CG1 4.07Å; F523-V539 HydrophobicContact CE1-CG2 4.29Å; V537-V539 HydrophobicContact CG2-CG1 4.07Å
540G93Very high95.7Very high7 Ų78.3 Ų8.37%0.0725%0.049CC..SBendtrans97.1-17.6167.900000117.2K446 N468 Y538K446-G540 PolarHBondContact NZ-O 2.6Å; K446-G540 VanDerWaalsContact NZ-O 3.14Å; N468-G540 PolarHBondContact ND2-O 3Å; N468-G540 VanDerWaalsContact ND2-O 3.15Å; Y538-G540 VanDerWaalsContact CZ-CA 3.44Å; Y538-G540 WeakPolarHBondContact OH-CA 3.22Å; Y538-G540 PolarHBondContact OH-O 3.37Å
541T95.1Very high95.5Very high1 Ų18.1 Ų8.11%0.0065%0.048CC..SBendtrans-155.3157.2-179.3-173.50000111.6D470 Q501 Q504 T543D470-T541 PolarHBondContact N-OG1 2.99Å; D470-T541 VanDerWaalsContact N-OG1 3.1Å; Q501-T541 PolarHBondContact NE2-O 3.11Å; Q504-T541 HydrophobicContact CG-CG2 3.74Å; T541-T543 PolarHBondContact O-OG1 3.49Å
542G96.6Very high95.1Very high3 Ų38.7 Ų8.73%0.0316%0.055CC..SBendtrans69.242.2176.800000112.5N468 Q501 F502N468-G542 PolarHBondContact O-N 2.93Å; Q501-G542 PolarHBondContact NE2-O 3.14Å; F502-G542 WeakPolarHBondContact CB-O 3.35Å; F502-G542 WeakPolarHBondContact CD2-O 3.44Å; F502-G542 PolarHBondContact N-O 2.69Å
543T98.3Very high94.8Very high0 Ų011 Ų110%06%0.056CC..EExtended strand (participates in β ladder)trans-132127.9-171.8-46.40000110.8L467 N468 F499 V500 Q501 Y538 T541 F545L467-T543 WeakPolarHBondContact CA-O 3.35Å; N468-T543 PolarHBondContact N-O 2.78Å; N468-T543 PolarHBondContact O-N 2.81Å; F499-T543 HydrophobicContact CB-CG2 3.77Å; F499-T543 HydrophobicContact CD2-CG2 3.65Å; F499-T543 HydrophobicContact CG-CG2 3.92Å; V500-T543 WeakPolarHBondContact O-CA 3.1Å; Q501-T543 VanDerWaalsContact CD-OG1 3.26Å; Q501-T543 PolarHBondContact NE2-OG1 2.94Å; Q501-T543 PolarHBondContact OE1-OG1 2.66Å; Y538-T543 HydrophobicContact CD2-CG2 3.87Å; Y538-T543 VanDerWaalsContact CD2-OG1 3.32Å; Y538-T543 WeakPolarHBondContact CD2-OG1 3.36Å; Y538-T543 HydrophobicContact CE2-CG2 4.19Å; Y538-T543 VanDerWaalsContact CE2-OG1 3.28Å; Y538-T543 WeakPolarHBondContact CE2-OG1 3.44Å; T541-T543 PolarHBondContact O-OG1 3.49Å; T543-F545 HydrophobicContact CG2-CD2 4Å; T543-F545 HydrophobicContact CG2-CE1 4.19Å; T543-F545 HydrophobicContact CG2-CE2 3.51Å; T543-F545 HydrophobicContact CG2-CZ 3.62Å
544V98.4Very high94.4Very high0 Ų011.8 Ų11.80%06%0.063CC..EExtended strand (participates in β ladder)trans-100.6107.3175.7-172.10000109.3F465 I466 L467 A484 M485 L488 F499 V500 F502F465-V544 HydrophobicContact CB-CG1 4.03Å; I466-V544 CarbonylContact O-C 3.51Å; I466-V544 WeakPolarHBondContact O-CA 3.46Å; L467-V544 HydrophobicContact CB-CG2 4.21Å; L467-V544 HydrophobicContact CD1-CG2 3.47Å; L467-V544 VanDerWaalsContact CD1-CG2 3.47Å; L467-V544 HydrophobicContact CG-CG2 3.71Å; A484-V544 HydrophobicContact CB-CB 4.16Å; A484-V544 HydrophobicContact CB-CG1 4.46Å; A484-V544 HydrophobicContact CB-CG2 3.67Å; M485-V544 HydrophobicContact CE-CG1 3.97Å; L488-V544 HydrophobicContact CD1-CB 4.09Å; L488-V544 HydrophobicContact CD1-CG1 3.51Å; F499-V544 CarbonylContact C-O 3.48Å; F499-V544 WeakPolarHBondContact CA-O 3.37Å; F499-V544 WeakPolarHBondContact CB-O 3.34Å; V500-V544 PolarHBondContact N-O 3.47Å; V500-V544 PolarHBondContact O-N 3.21Å; F502-V544 HydrophobicContact CE2-CG2 4.35Å
545F98.4Very high93.9Very high0 Ų011.5 Ų11.50%06%0.062CC..EExtended strand (participates in β ladder)trans-89.8145.2178-68-88.3000112.4F465 I466 N468 C498 F499 Y538 T543 L550 W675 M690F465-F545 CarbonylContact C-O 3.54Å; F465-F545 WeakPolarHBondContact CA-O 3.18Å; I466-F545 PolarHBondContact N-O 3.36Å; I466-F545 PolarHBondContact O-N 3.08Å; N468-F545 HydrophobicContact CB-CE2 4.41Å; C498-F545 CarbonylContact O-C 3.5Å; C498-F545 WeakPolarHBondContact O-CA 3.47Å; F499-F545 HydrophobicContact CB-CD1 3.65Å; F499-F545 HydrophobicContact CB-CE1 3.96Å; F499-F545 HydrophobicContact CB-CG 4.12Å; F499-F545 HydrophobicContact CD1-CD1 4.02Å; F499-F545 AromaticContact CD1-CE1 3.74Å; F499-F545 HydrophobicContact CD1-CE1 3.74Å; F499-F545 HydrophobicContact CE1-CE1 4.47Å; F499-F545 HydrophobicContact CG-CD1 4.13Å; F499-F545 AromaticContact CG-CE1 3.95Å; F499-F545 HydrophobicContact CG-CE1 3.95Å; Y538-F545 HydrophobicContact CD1-CE1 4.46Å; Y538-F545 AromaticContact CD1-CZ 3.73Å; Y538-F545 HydrophobicContact CD1-CZ 3.73Å; Y538-F545 HydrophobicContact CD2-CE2 4.16Å; Y538-F545 AromaticContact CD2-CZ 3.57Å; Y538-F545 HydrophobicContact CD2-CZ 3.57Å; Y538-F545 HydrophobicContact CE1-CE2 4.39Å; Y538-F545 AromaticContact CE1-CZ 3.78Å; Y538-F545 HydrophobicContact CE1-CZ 3.78Å; Y538-F545 AromaticContact CE2-CE2 3.78Å; Y538-F545 HydrophobicContact CE2-CE2 3.78Å; Y538-F545 AromaticContact CE2-CZ 3.59Å; Y538-F545 HydrophobicContact CE2-CZ 3.59Å; Y538-F545 HydrophobicContact CG-CE1 4.39Å; Y538-F545 AromaticContact CG-CZ 3.66Å; Y538-F545 HydrophobicContact CG-CZ 3.66Å; Y538-F545 AromaticContact CZ-CE2 3.91Å; Y538-F545 AromaticContact CZ-CZ 3.71Å; T543-F545 HydrophobicContact CG2-CD2 4Å; T543-F545 HydrophobicContact CG2-CE1 4.19Å; T543-F545 HydrophobicContact CG2-CE2 3.51Å; T543-F545 HydrophobicContact CG2-CZ 3.62Å; F545-L550 HydrophobicContact CB-CD1 3.62Å; F545-L550 HydrophobicContact CB-CG 4.1Å; F545-L550 HydrophobicContact CD1-CD1 4.43Å; F545-L550 HydrophobicContact CD1-CD2 4.02Å; F545-L550 HydrophobicContact CD1-CG 4.23Å; F545-L550 HydrophobicContact CE1-CD2 4.43Å; F545-L550 HydrophobicContact CG-CD1 4.02Å; F545-L550 HydrophobicContact CG-CD2 4.37Å; F545-L550 HydrophobicContact CG-CG 4.31Å; F545-W675 HydrophobicContact CD2-CH2 4.16Å; F545-W675 HydrophobicContact CD2-CZ2 4.31Å; F545-W675 HydrophobicContact CE2-CH2 4.16Å; F545-W675 AromaticContact CE2-CZ2 3.85Å; F545-W675 HydrophobicContact CE2-CZ2 3.85Å; F545-W675 HydrophobicContact CZ-CZ2 4.21Å; F545-M690 HydrophobicContact CD1-CE 4.13Å; F545-M690 HydrophobicContact CD1-SD 4.19Å; F545-M690 HydrophobicContact CE1-SD 4.08Å
546R97Very high93Very high42 Ų4215.3 Ų15.316%0.1589%0.087CC..EExtended strand (participates in β ladder)trans-77.2120.9160-178178.7-67.6-80.5-1.2108.8F465 L488 G494 V497 C498 Q548 A549 L550F465-R546 HydrophobicContact CD1-CB 4.41Å; F465-R546 HydrophobicContact CE1-CB 4.34Å; F465-R546 HydrophobicContact CE1-CG 4.39Å; L488-R546 PolarHBondContact O-NH2 3.09Å; G494-R546 PolarHBondContact O-NH2 3.12Å; V497-R546 PolarHBondContact O-NE 2.97Å; C498-R546 PolarHBondContact O-N 3.03Å; R546-Q548 VanDerWaalsContact C-N 3.33Å; R546-Q548 HydrophobicContact CG-CB 4.38Å; R546-Q548 PolarHBondContact O-N 3.17Å; R546-A549 HydrophobicContact CB-CB 4.23Å; R546-A549 WeakPolarHBondContact O-CB 3.35Å; R546-A549 PolarHBondContact O-N 3.15Å; R546-L550 PolarHBondContact O-N 2.76Å
547R95.8Very high91.7Very high2 Ų217.6 Ų17.61%0.00810%0.103CC..Hα-helixtrans-54.7-45.1-178.4174.2172.9-67.2-83-1.2112.9D264 V454 S457 A463 P464 I466 A549 L550 Y551D264-R547 IonicContact OD2-NH2 3.48Å; D264-R547 PolarHBondContact OD2-NH2 3.18Å; V454-R547 PolarHBondContact O-NH1 3.17Å; S457-R547 PolarHBondContact OG-NH2 2.96Å; A463-R547 WeakPolarHBondContact O-CD 3.02Å; A463-R547 PolarHBondContact O-NE 3.28Å; P464-R547 VanDerWaalsContact O-CB 3.26Å; P464-R547 WeakPolarHBondContact O-CB 3.32Å; P464-R547 PolarHBondContact O-N 2.95Å; I466-R547 HydrophobicContact CD1-CB 4.42Å; I466-R547 VanDerWaalsContact CD1-CZ 3.44Å; I466-R547 VanDerWaalsContact CG1-NH2 3.32Å; R547-A549 PolarHBondContact O-N 3.37Å; R547-L550 WeakPolarHBondContact O-CB 3.28Å; R547-L550 PolarHBondContact O-N 2.96Å; R547-Y551 WeakPolarHBondContact CD-OH 3.32Å; R547-Y551 HydrophobicContact CG-CD2 3.98Å; R547-Y551 HydrophobicContact CG-CE1 4.31Å; R547-Y551 HydrophobicContact CG-CE2 3.3Å; R547-Y551 VanDerWaalsContact CG-CZ 3.49Å; R547-Y551 PolarHBondContact NH1-OH 3.48Å; R547-Y551 PolarHBondContact O-N 3.13Å
548Q91.8Very high90Very high30 Ų3022.4 Ų22.414%0.1412%0.123CC..Hα-helixtrans-59.3-33.3178.2-66.1-61.9-19.400113R546 Y551 Y553 T635R546-Q548 VanDerWaalsContact C-N 3.33Å; R546-Q548 HydrophobicContact CG-CB 4.38Å; R546-Q548 PolarHBondContact O-N 3.17Å; Q548-Y551 PolarHBondContact O-N 3.24Å; Q548-Y553 PolarHBondContact O-N 3.48Å; Q548-T635 PolarHBondContact NE2-O 2.66Å
549A93.2Very high87.9Confident0 Ų026.1 Ų26.10%015%0.148CC..Hα-helixtrans-71.7-34.2176.900000111.8C498 R546 R547 Y551 G552 M690 W695C498-A549 HydrophobicContact CB-CB 3.68Å; R546-A549 HydrophobicContact CB-CB 4.23Å; R546-A549 WeakPolarHBondContact O-CB 3.35Å; R546-A549 PolarHBondContact O-N 3.15Å; R547-A549 PolarHBondContact O-N 3.37Å; A549-Y551 VanDerWaalsContact C-N 3.35Å; A549-G552 PolarHBondContact O-N 3.31Å; A549-G552 VanDerWaalsContact O-N 3.17Å; A549-M690 HydrophobicContact CB-CE 3.33Å; A549-W695 HydrophobicContact CB-CD2 4.01Å; A549-W695 HydrophobicContact CB-CE3 4.47Å; A549-W695 HydrophobicContact CB-CG 4.48Å; A549-W695 HydrophobicContact CB-CH2 4.26Å; A549-W695 HydrophobicContact CB-CZ2 3.74Å
550L94.9Very high85.4Confident3 Ų336.4 Ų36.42%0.01619%0.185CC..Hα-helixtrans-68.2-33.5172.7-73.3168000112.1V454 I466 F545 R546 R547 G552 G674 W675 M690V454-L550 HydrophobicContact CG2-CD1 4.46Å; I466-L550 HydrophobicContact CD1-CD1 3.81Å; F545-L550 HydrophobicContact CB-CD1 3.62Å; F545-L550 HydrophobicContact CB-CG 4.1Å; F545-L550 HydrophobicContact CD1-CD1 4.43Å; F545-L550 HydrophobicContact CD1-CD2 4.02Å; F545-L550 HydrophobicContact CD1-CG 4.23Å; F545-L550 HydrophobicContact CE1-CD2 4.43Å; F545-L550 HydrophobicContact CG-CD1 4.02Å; F545-L550 HydrophobicContact CG-CD2 4.37Å; F545-L550 HydrophobicContact CG-CG 4.31Å; R546-L550 PolarHBondContact O-N 2.76Å; R547-L550 WeakPolarHBondContact O-CB 3.28Å; R547-L550 PolarHBondContact O-N 2.96Å; L550-G552 PolarHBondContact O-N 2.93Å; L550-G552 VanDerWaalsContact O-N 3.14Å; L550-G674 WeakPolarHBondContact O-CA 3.4Å; L550-G674 PolarHBondContact O-N 3.26Å; L550-W675 HydrophobicContact CD1-CH2 3.84Å; L550-W675 HydrophobicContact CD1-CZ3 3.61Å; L550-W675 HydrophobicContact CD2-CE3 3.93Å; L550-W675 HydrophobicContact CD2-CH2 3.92Å; L550-W675 HydrophobicContact CD2-CZ3 3.53Å; L550-W675 HydrophobicContact CG-CZ3 4.18Å; L550-M690 HydrophobicContact CD2-CE 4.46Å; L550-M690 HydrophobicContact CD2-SD 4.44Å
551Y91.8Very high83Confident3 Ų341.9 Ų41.91%0.01221%0.211CC..THydrogen-bonded Turntrans-66.5-7171.1-66.1-29.9000114.2V454 A458 R547 Q548 A549 F625 F631 T635 W669 I673V454-Y551 HydrophobicContact CG1-CD1 4.34Å; V454-Y551 HydrophobicContact CG1-CE1 3.6Å; A458-Y551 WeakPolarHBondContact CB-OH 3.49Å; R547-Y551 WeakPolarHBondContact CD-OH 3.32Å; R547-Y551 HydrophobicContact CG-CD2 3.98Å; R547-Y551 HydrophobicContact CG-CE1 4.31Å; R547-Y551 HydrophobicContact CG-CE2 3.3Å; R547-Y551 VanDerWaalsContact CG-CZ 3.49Å; R547-Y551 PolarHBondContact NH1-OH 3.48Å; R547-Y551 PolarHBondContact O-N 3.13Å; Q548-Y551 PolarHBondContact O-N 3.24Å; A549-Y551 VanDerWaalsContact C-N 3.35Å; Y551-F625 HydrophobicContact CD1-CE1 4.14Å; Y551-F625 HydrophobicContact CG-CE1 4.07Å; Y551-F631 HydrophobicContact CE1-CE2 4.2Å; Y551-F631 AromaticContact CE1-CZ 3.76Å; Y551-F631 HydrophobicContact CE1-CZ 3.76Å; Y551-T635 HydrophobicContact CD2-CG2 4.11Å; Y551-T635 HydrophobicContact CE1-CG2 4.15Å; Y551-T635 HydrophobicContact CE2-CG2 3.71Å; Y551-W669 HydrophobicContact CD1-CH2 4.28Å; Y551-W669 HydrophobicContact CE1-CH2 4.19Å; Y551-I673 WeakPolarHBondContact O-CD1 3.4Å
552G87.3Confident80Confident19 Ų1949 Ų4920%0.19625%0.248CC..THydrogen-bonded Turntrans88.95.4175.600000114.4A549 L550 R693A549-G552 PolarHBondContact O-N 3.31Å; A549-G552 VanDerWaalsContact O-N 3.17Å; L550-G552 PolarHBondContact O-N 2.93Å; L550-G552 VanDerWaalsContact O-N 3.14Å; G552-R693 PolarHBondContact O-NE 3Å
553Y88Confident76.8Confident76 Ų7653.8 Ų53.830%0.29828%0.278SS..PPolyproline II helixtrans-62.5154170.7-68.1-75.2000111.2Q548 F625 W695Q548-Y553 PolarHBondContact O-N 3.48Å; Y553-F625 AromaticContact CE2-CZ 3.92Å; Y553-F625 HydrophobicContact CE2-CZ 3.92Å; Y553-W695 PolarHBondContact O-NE1 3.4Å
554S85.4Confident74Confident31 Ų3163 Ų6322%0.21732%0.322CS..PPolyproline II helixtrans-83.5159.7173.6-67.20000110.8W695 R748S554-W695 VanDerWaalsContact C-CZ2 3.46Å; S554-W695 WeakPolarHBondContact O-CZ2 3.33Å; S554-R748 PolarHBondContact OG-NH1 2.61Å
555P86Confident70.7Confident4 Ų468.2 Ų68.23%0.02636%0.358CS..PPolyproline II helixtrans-57145.4173.324.9-35.1000111.4S557 K558 W695P555-S557 VanDerWaalsContact C-N 3.27Å; P555-S557 PolarHBondContact O-N 3.36Å; P555-K558 WeakPolarHBondContact O-CG 3.08Å; P555-K558 PolarHBondContact O-N 2.83Å; P555-W695 HydrophobicContact CB-CD2 4.05Å; P555-W695 HydrophobicContact CB-CE3 3.88Å; P555-W695 HydrophobicContact CB-CH2 4.21Å; P555-W695 HydrophobicContact CB-CZ2 4.38Å; P555-W695 HydrophobicContact CB-CZ3 3.95Å; P555-W695 HydrophobicContact CG-CD2 4.45Å
556P77.1Confident67.3Low79 Ų7974 Ų7451%0.51340%0.398SS..SBendtrans-62.1-37.2-178.524.5-32.9000111.5Q495 K558Q495-P556 HydrophobicContact CB-CG 4.09Å; Q495-P556 VanDerWaalsContact O-CD 3.25Å; Q495-P556 WeakPolarHBondContact O-CD 3.19Å; Q495-P556 WeakPolarHBondContact O-CG 3.15Å; P556-K558 PolarHBondContact O-N 3.11Å
557S69.9Low64.2Low48 Ų4877.6 Ų77.634%0.33643%0.43SS..SBendtrans-77.758.4170-25.60000110D496 P555 P559D496-S557 WeakPolarHBondContact OD1-CB 3.43Å; D496-S557 PolarHBondContact OD1-OG 2.65Å; P555-S557 VanDerWaalsContact C-N 3.27Å; P555-S557 PolarHBondContact O-N 3.36Å; S557-P559 WeakPolarHBondContact O-CD 3.35Å
558K60.6Low61Low102 Ų10283 Ų8344%0.44347%0.469SS..  trans-54.2113.6174.6-81.8-169.1178.3-175.40107.6P555 P556 R560 E593P555-K558 WeakPolarHBondContact O-CG 3.08Å; P555-K558 PolarHBondContact O-N 2.83Å; P556-K558 PolarHBondContact O-N 3.11Å; K558-R560 PolarHBondContact O-N 3.44Å; K558-R560 VanDerWaalsContact O-N 3.13Å; K558-E593 IonicContact NZ-OE1 3.81Å; K558-E593 PolarHBondContact NZ-OE1 3.48Å; K558-E593 VanDerWaalsContact NZ-OE1 3.08Å
559P53.5Low58.2Low79 Ų7987.2 Ų87.251%0.51350%0.501SS..  trans-64.1122.7175.124.2-29.7000107.6S557 I561S557-P559 WeakPolarHBondContact O-CD 3.35Å; P559-I561 PolarHBondContact O-N 3.22Å
560R40.3Very low55.2Low236 Ų23692.7 Ų92.789%0.89154%0.538SS*.  trans-58.2124.2170.8-75.9-175.5-174.5-173.72.5107.2K558 L562K558-R560 PolarHBondContact O-N 3.44Å; K558-R560 VanDerWaalsContact O-N 3.13Å; R560-L562 PolarHBondContact O-N 3.13Å
561I42.8Very low52.2Low122 Ų12297.9 Ų97.963%0.62657%0.573SS**  trans-63105172.5-60.3170.1000106.2P559P559-I561 PolarHBondContact O-N 3.22Å
562L33.1Very low49.4Very low149 Ų149103.3 Ų103.378%0.7861%0.611SS**  trans-69.5126.4163-86146.9000106.6R560 Q564R560-L562 PolarHBondContact O-N 3.13Å; L562-Q564 PolarHBondContact O-N 3.02Å
563P30Very low47Very low104 Ų104109.8 Ų109.868%0.67564%0.64SS**  trans-61.3114.8171.625.3-29.8000106.9S565P563-S565 PolarHBondContact O-N 3.37Å
564Q38.2Very low44.3Very low194 Ų194112.1 Ų112.191%0.90766%0.662SS**  trans-61.7110.6177.2-85.3-178-11.500108.5L562 S566L562-Q564 PolarHBondContact O-N 3.02Å; Q564-S566 PolarHBondContact O-N 3.39Å
565S29.4Very low41.9Very low109 Ų109120.3 Ų120.376%0.76269%0.694SS**  trans-55.2128.4161.555.60000108.8P563 S567P563-S565 PolarHBondContact O-N 3.37Å; S565-S567 PolarHBondContact O-N 3.26Å; S565-S567 VanDerWaalsContact O-N 3.16Å
566S27.8Very low39.3Very low121 Ų121130.8 Ų130.885%0.84674%0.739SS**  trans-51115174.357.50000111.9Q564Q564-S566 PolarHBondContact O-N 3.39Å
567S32.3Very low37.4Very low118 Ų118136.6 Ų136.683%0.82576%0.756SS**  trans-110.2106.3153.177.10000108.8S565S565-S567 PolarHBondContact O-N 3.26Å; S565-S567 VanDerWaalsContact O-N 3.16Å
568S28.2Very low35.9Very low117 Ų117142.9 Ų142.982%0.81878%0.78SS**  trans-54.5133.6172.351.10000113.7
569S31.5Very low34.9Very low118 Ų118144.2 Ų144.283%0.82580%0.799SS**  -177133.2125.8-176.70000111.8
570C31.3Very low34.5Very low114 Ų114146.1 Ų146.177%0.7780%0.801SS**  trans9286.6161.1-116.50000121
571C31.1Very low35.1Very low112 Ų112139.1 Ų139.176%0.75778%0.782SS**  61.599.4127-590000121.2
572C34.6Very low35.5Very low118 Ų118137.7 Ų137.780%0.79778%0.78SS**  168.5128.7104.5-85.10000113.3
573L35.8Very low36.1Very low155 Ų155133.1 Ų133.181%0.81276%0.76SS**  trans71.188151.7-65.9155000120.8
574T30.8Very low37Very low125 Ų125132.6 Ų132.677%0.76775%0.749SS**  37.5101.6127.455.20000120.1
575K35.8Very low37.7Very low203 Ų203128.2 Ų128.288%0.88373%0.731SS**  -158.6115.8122.2-97.7177.5-168.7-177.40108.2K577K575-K577 PolarHBondContact O-N 3.04Å; K575-K577 VanDerWaalsContact O-N 3.13Å
576K31.9Very low38.5Very low223 Ų223131.5 Ų131.597%0.9773%0.728SS**  trans-63.5107.7173.6-82.1178.4173.3177.90109.1
577K35.8Very low39.3Very low202 Ų202132.5 Ų132.588%0.87872%0.717SS**PPolyproline II helixtrans-96.3137.2157.7-95.9-177.1172.2-175.70108.3K575K575-K577 PolarHBondContact O-N 3.04Å; K575-K577 VanDerWaalsContact O-N 3.13Å
578Q39.3Very low40Very low180 Ų180130.4 Ų130.484%0.84170%0.696SS**PPolyproline II helixtrans-59.8149.7178-81.8173.2-31.300111.3Q580Q578-Q580 PolarHBondContact O-N 2.94Å
579P40.4Very low40.9Very low130 Ų130127.2 Ų127.284%0.84468%0.677SS**PPolyproline II helixtrans-67.5116.9176.628.1-31.6000109.6
580Q44.6Very low41.4Very low119 Ų119128.5 Ų128.556%0.55667%0.668SS**PPolyproline II helixtrans-74.2139.1169.5-91.7-179.2-54.600110.2Q578 E584Q578-Q580 PolarHBondContact O-N 2.94Å; Q580-E584 PolarHBondContact NE2-OE2 3.03Å
581D53.1Low41.8Very low89 Ų89130.4 Ų130.448%0.47666%0.659SS.*PPolyproline II helixtrans-59.3131.5177.4-179.31000110.3S583 E584D581-S583 PolarHBondContact O-N 3.39Å; D581-S583 PolarHBondContact OD1-N 2.85Å; D581-S583 VanDerWaalsContact OD1-N 3.12Å; D581-S583 PolarHBondContact OD2-OG 2.99Å; D581-E584 PolarHBondContact O-N 2.87Å
582P49.8Very low42.4Very low92 Ų92132.3 Ų132.360%0.59766%0.657SS**Hα-helixtrans-50.8-24.8173.4-26.832.2000114.2Y586P582-Y586 PolarHBondContact O-N 3.38Å
583S45.7Very low42.9Very low52 Ų52132.5 Ų132.536%0.36465%0.646SS.*Hα-helixtrans-72.4-26175.787.90000113.8D581 K587D581-S583 PolarHBondContact O-N 3.39Å; D581-S583 PolarHBondContact OD1-N 2.85Å; D581-S583 VanDerWaalsContact OD1-N 3.12Å; D581-S583 PolarHBondContact OD2-OG 2.99Å; S583-K587 WeakPolarHBondContact O-CG 3.44Å; S583-K587 PolarHBondContact O-N 3.09Å
584E48.9Very low43Very low94 Ų94129.8 Ų129.844%0.43963%0.632SS.*Hα-helixtrans-78.1-40.1175.5-77.1-161.6154.500112Q580 D581 Y586 K587 D588Q580-E584 PolarHBondContact NE2-OE2 3.03Å; D581-E584 PolarHBondContact O-N 2.87Å; E584-Y586 VanDerWaalsContact C-N 3.28Å; E584-Y586 PolarHBondContact O-N 2.6Å; E584-K587 CarbonylContact O-C 3.55Å; E584-K587 WeakPolarHBondContact O-CB 3.16Å; E584-K587 PolarHBondContact O-N 3.46Å; E584-D588 PolarHBondContact O-N 2.86Å
585I52.8Low43.4Very low102 Ų102127.2 Ų127.252%0.52361%0.613SS.*Hα-helixtrans-63.9-35.6177.9-60.2174.7000111.2D588 A589I585-D588 PolarHBondContact O-N 2.95Å; I585-A589 PolarHBondContact O-N 2.92Å; I585-A589 VanDerWaalsContact O-N 3.09Å
586Y47.4Very low43.7Very low178 Ų178122 Ų12270%0.69861%0.608SS**Hα-helixtrans-71.2-31.5175-165.3-96.8000112.5P582 E584 K590P582-Y586 PolarHBondContact O-N 3.38Å; E584-Y586 VanDerWaalsContact C-N 3.28Å; E584-Y586 PolarHBondContact O-N 2.6Å; Y586-K590 PolarHBondContact O-N 2.69Å
587K44.8Very low44Very low142 Ų142112.6 Ų112.662%0.61757%0.572SS**Hα-helixtrans-72.5-40.9172.7-77.1174.81801740111.2S583 E584 K590 R591S583-K587 WeakPolarHBondContact O-CG 3.44Å; S583-K587 PolarHBondContact O-N 3.09Å; E584-K587 CarbonylContact O-C 3.55Å; E584-K587 WeakPolarHBondContact O-CB 3.16Å; E584-K587 PolarHBondContact O-N 3.46Å; K587-K590 PolarHBondContact O-N 3.25Å; K587-R591 WeakPolarHBondContact O-CB 3.47Å; K587-R591 PolarHBondContact O-N 3.11Å
588D46.9Very low43.9Very low73 Ų73106.3 Ų106.339%0.3955%0.547SS..Hα-helixtrans-69.8-36.7-178.9-77.5-15.6000113.1E584 I585 R591 E592E584-D588 PolarHBondContact O-N 2.86Å; I585-D588 PolarHBondContact O-N 2.95Å; D588-R591 CarbonylContact O-C 3.55Å; D588-R591 PolarHBondContact O-N 2.93Å; D588-E592 PolarHBondContact O-N 3.36Å
589A46.3Very low43.5Very low50 Ų50106.1 Ų106.141%0.41354%0.544SS..Hα-helixtrans-68.4-35.2173.800000112.7I585 R591 E593I585-A589 PolarHBondContact O-N 2.92Å; I585-A589 VanDerWaalsContact O-N 3.09Å; A589-R591 VanDerWaalsContact C-N 3.33Å; A589-E593 PolarHBondContact O-N 3.24Å
590K41.7Very low43.1Very low145 Ų145105.8 Ų105.863%0.6354%0.535SS*.Hα-helixtrans-73.8-29.5173.8-148.9-179.1-173.6-1710111.3Y586 K587 L594Y586-K590 PolarHBondContact O-N 2.69Å; K587-K590 PolarHBondContact O-N 3.25Å; K590-L594 VanDerWaalsContact O-CB 3.26Å; K590-L594 WeakPolarHBondContact O-CB 3.5Å; K590-L594 PolarHBondContact O-N 3.26Å; K590-L594 VanDerWaalsContact O-N 3.1Å
591R39.8Very low43Very low154 Ų154106.8 Ų106.858%0.58154%0.543SS*.Hα-helixtrans-75.3-32173.7-159.2179.4-169166.94.7111.8K587 D588 A589 L594 D595K587-R591 WeakPolarHBondContact O-CB 3.47Å; K587-R591 PolarHBondContact O-N 3.11Å; D588-R591 CarbonylContact O-C 3.55Å; D588-R591 PolarHBondContact O-N 2.93Å; A589-R591 VanDerWaalsContact C-N 3.33Å; R591-L594 CarbonylContact O-C 3.39Å; R591-L594 PolarHBondContact O-N 3.13Å; R591-D595 WeakPolarHBondContact CG-OD2 3.15Å; R591-D595 IonicContact NE-OD2 3.07Å; R591-D595 WeakPolarHBondContact O-CA 3.35Å; R591-D595 WeakPolarHBondContact O-CB 3.31Å; R591-D595 PolarHBondContact O-N 3.4Å
592E45.4Very low42.2Very low153 Ų153105.6 Ų105.672%0.71555%0.552SS**Hα-helixtrans-70.5-38.8170.8-91.4-174.4154.200112.5D588 L594 A596D588-E592 PolarHBondContact O-N 3.36Å; E592-L594 VanDerWaalsContact C-N 3.27Å; E592-L594 PolarHBondContact O-N 2.77Å; E592-A596 VanDerWaalsContact O-CB 3.25Å; E592-A596 WeakPolarHBondContact O-CB 3.47Å; E592-A596 PolarHBondContact O-N 3.36Å
593E43.8Very low41.7Very low122 Ų122108.1 Ų108.157%0.5756%0.56SS**Hα-helixtrans-66.9-28.6171.7-88.6-175.5167.400111.8K558 A589K558-E593 IonicContact NZ-OE1 3.81Å; K558-E593 PolarHBondContact NZ-OE1 3.48Å; K558-E593 VanDerWaalsContact NZ-OE1 3.08Å; A589-E593 PolarHBondContact O-N 3.24Å
594L37.7Very low41.5Very low98 Ų98111.2 Ų111.251%0.51357%0.572SS.*Hα-helixtrans-89-35.6178.3-155.479.4000113K590 R591 E592 A597 I598K590-L594 VanDerWaalsContact O-CB 3.26Å; K590-L594 WeakPolarHBondContact O-CB 3.5Å; K590-L594 PolarHBondContact O-N 3.26Å; K590-L594 VanDerWaalsContact O-N 3.1Å; R591-L594 CarbonylContact O-C 3.39Å; R591-L594 PolarHBondContact O-N 3.13Å; E592-L594 VanDerWaalsContact C-N 3.27Å; E592-L594 PolarHBondContact O-N 2.77Å; L594-A597 CarbonylContact O-C 3.58Å; L594-A597 WeakPolarHBondContact O-CA 3.38Å; L594-A597 WeakPolarHBondContact O-CB 3.33Å; L594-A597 PolarHBondContact O-N 3.26Å; L594-I598 HydrophobicContact CD2-CD1 3.77Å; L594-I598 HydrophobicContact CG-CD1 3.63Å; L594-I598 HydrophobicContact CG-CG1 4.46Å; L594-I598 WeakPolarHBondContact O-CB 3.29Å; L594-I598 VanDerWaalsContact O-CG1 3.23Å; L594-I598 WeakPolarHBondContact O-CG1 3.4Å; L594-I598 PolarHBondContact O-N 3.32Å
595D40.2Very low41.1Very low71 Ų71114.1 Ų114.138%0.3859%0.59SS.*Hα-helixtrans-76.6-25.6178.6-75.1-8.4000111R591 A597 I598R591-D595 WeakPolarHBondContact CG-OD2 3.15Å; R591-D595 IonicContact NE-OD2 3.07Å; R591-D595 WeakPolarHBondContact O-CA 3.35Å; R591-D595 WeakPolarHBondContact O-CB 3.31Å; R591-D595 PolarHBondContact O-N 3.4Å; D595-A597 PolarHBondContact O-N 3.04Å; D595-I598 CarbonylContact O-C 3.6Å; D595-I598 PolarHBondContact O-N 2.88Å
596A41.4Very low41Very low93 Ų93116.5 Ų116.577%0.76961%0.605SS**THydrogen-bonded Turntrans-62.4-23.3164.100000112.3E592E592-A596 VanDerWaalsContact O-CB 3.25Å; E592-A596 WeakPolarHBondContact O-CB 3.47Å; E592-A596 PolarHBondContact O-N 3.36Å
597A39.3Very low40.8Very low25 Ų25115.3 Ų115.321%0.20760%0.6CS.*THydrogen-bonded Turntrans-94.8-2417100000113.2L594 D595 I616L594-A597 CarbonylContact O-C 3.58Å; L594-A597 WeakPolarHBondContact O-CA 3.38Å; L594-A597 WeakPolarHBondContact O-CB 3.33Å; L594-A597 PolarHBondContact O-N 3.26Å; D595-A597 PolarHBondContact O-N 3.04Å; A597-I616 HydrophobicContact CB-CG2 4.45Å
598I32.6Very low41.4Very low70 Ų70114.8 Ų114.836%0.35960%0.604SS.*  trans-116.564-173.1-53.8172.4000110.6L594 D595 I616L594-I598 HydrophobicContact CD2-CD1 3.77Å; L594-I598 HydrophobicContact CG-CD1 3.63Å; L594-I598 HydrophobicContact CG-CG1 4.46Å; L594-I598 WeakPolarHBondContact O-CB 3.29Å; L594-I598 VanDerWaalsContact O-CG1 3.23Å; L594-I598 WeakPolarHBondContact O-CG1 3.4Å; L594-I598 PolarHBondContact O-N 3.32Å; D595-I598 CarbonylContact O-C 3.6Å; D595-I598 PolarHBondContact O-N 2.88Å; I598-I616 HydrophobicContact CD1-CD1 4.27Å; I598-I616 HydrophobicContact CD1-CG2 4.25Å; I598-I616 HydrophobicContact CG1-CD1 4.36Å; I598-I616 HydrophobicContact CG1-CG2 3.73Å
599F31.3Very low41.5Very low176 Ų176119.7 Ų119.777%0.77262%0.624SS**SBendtrans-132.452.2165-155.1-92.2000111.5
600N32.6Very low41.8Very low123 Ų123124.5 Ų124.566%0.65863%0.633SS**SBendtrans-175.4132.2153.8-90.2-34000109.5
601L42.3Very low42.2Very low141 Ų141120.8 Ų120.874%0.73862%0.62SS**  trans102.887.9170.2-57.8158.5000116
602G34.9Very low42.6Very low63 Ų63118.9 Ų118.965%0.64961%0.613SS**  trans-95.613.9169.600000115.4
603D39.8Very low42.7Very low146 Ų146114.6 Ų114.678%0.78160%0.599SS**  trans-12753.3-170.2-71.5-34.9000114.4
604L40.9Very low43.2Very low117 Ų117111.3 Ų111.361%0.61359%0.585SS**  trans-140.784.4170.9-71.1174.7000111.3N606L604-N606 VanDerWaalsContact C-N 3.3Å; L604-N606 PolarHBondContact O-N 3.03Å
605D41.5Very low43.8Very low154 Ų154110.2 Ų110.282%0.82458%0.579SS**  trans-83.324.3-175.8-85.8-18000115.3
606N50.6Low44.4Very low153 Ų153109.1 Ų109.182%0.81857%0.573SS**SBendtrans-13325.1-172.5-98.9-10.8000116.5L604L604-N606 VanDerWaalsContact C-N 3.3Å; L604-N606 PolarHBondContact O-N 3.03Å
607Y42.9Very low45.8Very low153 Ų153106.8 Ų106.860%0.655%0.551SS**SBendtrans-133.4140.9175.8-72.3-85.7000113.1
608D57.2Low47.4Very low131 Ų131108.2 Ų108.270%0.70155%0.553SS**  trans-60.3148.3175.9-83.7-23.6000111.9Y610 D611 R612D608-Y610 PolarHBondContact O-N 3.01Å; D608-Y610 VanDerWaalsContact O-N 3.09Å; D608-D611 PolarHBondContact O-N 3.23Å; D608-R612 PolarHBondContact O-N 3.49Å
609E49Very low49.6Very low175 Ų175107.6 Ų107.682%0.81855%0.553SS**Hα-helixtrans-57.1-30.8-170.7-151175-166.700113.7S613E609-S613 PolarHBondContact O-N 3.29Å
610Y53.1Low52.1Low151 Ų151100.3 Ų100.359%0.59252%0.524SS*.Hα-helixtrans-71.2-46.3175179.9-101000112.5D608 R612 S613 M614D608-Y610 PolarHBondContact O-N 3.01Å; D608-Y610 VanDerWaalsContact O-N 3.09Å; Y610-R612 VanDerWaalsContact C-N 3.3Å; Y610-R612 PolarHBondContact O-N 3.44Å; Y610-S613 PolarHBondContact O-N 3.39Å; Y610-S613 PolarHBondContact O-OG 2.95Å; Y610-M614 PolarHBondContact O-N 3.47Å
611D50.3Low54.7Low67 Ų6797 Ų9736%0.35850%0.504SS..Hα-helixtrans-66.9-36.3177.1-74.1-23.9000110.7D608 S613 M614 L615D608-D611 PolarHBondContact O-N 3.23Å; D611-S613 PolarHBondContact O-N 3.04Å; D611-M614 PolarHBondContact O-N 3.41Å; D611-L615 VanDerWaalsContact O-CB 3.24Å; D611-L615 WeakPolarHBondContact O-CB 3.17Å; D611-L615 VanDerWaalsContact O-CG 3.23Å; D611-L615 WeakPolarHBondContact O-CG 3.48Å; D611-L615 PolarHBondContact O-N 3.43Å
612R48.3Very low57Low114 Ų11493.9 Ų93.943%0.4349%0.485SS..Hα-helixtrans-58.7-45.7170.3-167.9178.7-178.2144.11.3111.4D608 Y610 I616D608-R612 PolarHBondContact O-N 3.49Å; Y610-R612 VanDerWaalsContact C-N 3.3Å; Y610-R612 PolarHBondContact O-N 3.44Å; R612-I616 HydrophobicContact CG-CD1 3.75Å; R612-I616 HydrophobicContact CG-CG1 4.43Å; R612-I616 WeakPolarHBondContact O-CB 3.4Å; R612-I616 WeakPolarHBondContact O-CD1 3.29Å; R612-I616 WeakPolarHBondContact O-CG1 3.32Å; R612-I616 PolarHBondContact O-N 3.08Å
613S48.1Very low59.6Low63 Ų6394.8 Ų94.844%0.44147%0.471SS..Hα-helixtrans-65.9-37.7177.776.10000113.2E609 Y610 D611 S617E609-S613 PolarHBondContact O-N 3.29Å; Y610-S613 PolarHBondContact O-N 3.39Å; Y610-S613 PolarHBondContact O-OG 2.95Å; D611-S613 PolarHBondContact O-N 3.04Å; S613-S617 WeakPolarHBondContact O-CB 3.4Å; S613-S617 PolarHBondContact O-N 3.26Å
614M54.2Low62Low53 Ų5389.9 Ų89.926%0.26145%0.447SS..Hα-helixtrans-71.7-42.2178.2-163.1177.179.400111.4K122 Y610 D611 S617 Q618K122-M614 PolarHBondContact NZ-SD 2.92Å; Y610-M614 PolarHBondContact O-N 3.47Å; D611-M614 PolarHBondContact O-N 3.41Å; M614-S617 PolarHBondContact O-N 3.46Å; M614-S617 PolarHBondContact O-OG 2.96Å; M614-Q618 PolarHBondContact O-N 3.29Å
615L48.7Very low64.4Low76 Ų7684.5 Ų84.540%0.39842%0.418SS..Hα-helixtrans-67.3-39.1175-73.2169000112.2D611 S617 Q618 T619D611-L615 VanDerWaalsContact O-CB 3.24Å; D611-L615 WeakPolarHBondContact O-CB 3.17Å; D611-L615 VanDerWaalsContact O-CG 3.23Å; D611-L615 WeakPolarHBondContact O-CG 3.48Å; D611-L615 PolarHBondContact O-N 3.43Å; L615-S617 VanDerWaalsContact C-N 3.29Å; L615-S617 PolarHBondContact O-N 3.42Å; L615-Q618 PolarHBondContact O-N 3.48Å; L615-T619 WeakPolarHBondContact O-CB 3.49Å; L615-T619 PolarHBondContact O-N 2.77Å; L615-T619 PolarHBondContact O-OG1 3.38Å
616I52.8Low66.8Low47 Ų4777.2 Ų77.224%0.24138%0.379CS..Hα-helixtrans-61.4-41.9171.7-73.1167.8000109.4A597 I598 R612 S620A597-I616 HydrophobicContact CB-CG2 4.45Å; I598-I616 HydrophobicContact CD1-CD1 4.27Å; I598-I616 HydrophobicContact CD1-CG2 4.25Å; I598-I616 HydrophobicContact CG1-CD1 4.36Å; I598-I616 HydrophobicContact CG1-CG2 3.73Å; R612-I616 HydrophobicContact CG-CD1 3.75Å; R612-I616 HydrophobicContact CG-CG1 4.43Å; R612-I616 WeakPolarHBondContact O-CB 3.4Å; R612-I616 WeakPolarHBondContact O-CD1 3.29Å; R612-I616 WeakPolarHBondContact O-CG1 3.32Å; R612-I616 PolarHBondContact O-N 3.08Å; I616-S620 VanDerWaalsContact O-CB 3.3Å; I616-S620 WeakPolarHBondContact O-CB 3.44Å; I616-S620 PolarHBondContact O-N 3.29Å; I616-S620 PolarHBondContact O-OG 3.45Å
617S71.5Confident68.6Low45 Ų4576 Ų7632%0.31537%0.372SS..Hα-helixtrans-65-44.2176.779.30000112.3S613 M614 L615 S620 F621S613-S617 WeakPolarHBondContact O-CB 3.4Å; S613-S617 PolarHBondContact O-N 3.26Å; M614-S617 PolarHBondContact O-N 3.46Å; M614-S617 PolarHBondContact O-OG 2.96Å; L615-S617 VanDerWaalsContact C-N 3.29Å; L615-S617 PolarHBondContact O-N 3.42Å; S617-S620 PolarHBondContact O-N 2.89Å; S617-S620 PolarHBondContact O-OG 3.08Å; S617-F621 WeakPolarHBondContact O-CD2 3.03Å; S617-F621 PolarHBondContact O-N 2.99Å
618Q73.1Confident70.9Confident55 Ų5568.8 Ų68.826%0.25734%0.344SS..Hα-helixtrans-64.4-47.9177.3-78.5-174.4-40.900111.9M614 L615 S620 F621 E622M614-Q618 PolarHBondContact O-N 3.29Å; L615-Q618 PolarHBondContact O-N 3.48Å; Q618-S620 PolarHBondContact O-N 3.29Å; Q618-F621 PolarHBondContact O-N 3.15Å; Q618-E622 PolarHBondContact O-N 3.14Å
619T79.1Confident72.3Confident56 Ų5665.4 Ų65.434%0.34433%0.329SS..Hα-helixtrans-59.1-36175.9-50.70000111.2L615 E622 K623L615-T619 WeakPolarHBondContact O-CB 3.49Å; L615-T619 PolarHBondContact O-N 2.77Å; L615-T619 PolarHBondContact O-OG1 3.38Å; T619-E622 PolarHBondContact O-N 2.71Å; T619-K623 HydrophobicContact CG2-CD 4.46Å; T619-K623 WeakPolarHBondContact O-CB 3.48Å; T619-K623 WeakPolarHBondContact O-CG 3.26Å; T619-K623 PolarHBondContact O-N 3.48Å
620S84Confident74.2Confident23 Ų2359 Ų5916%0.16130%0.301CS..Hα-helixtrans-67.2-40.8175.380.20000112.1I616 S617 Q618 K623 T624I616-S620 VanDerWaalsContact O-CB 3.3Å; I616-S620 WeakPolarHBondContact O-CB 3.44Å; I616-S620 PolarHBondContact O-N 3.29Å; I616-S620 PolarHBondContact O-OG 3.45Å; S617-S620 PolarHBondContact O-N 2.89Å; S617-S620 PolarHBondContact O-OG 3.08Å; Q618-S620 PolarHBondContact O-N 3.29Å; S620-K623 PolarHBondContact O-N 2.62Å; S620-T624 WeakPolarHBondContact O-CB 3.25Å; S620-T624 PolarHBondContact O-N 2.73Å; S620-T624 PolarHBondContact O-OG1 3.08Å
621F87Confident76Confident55 Ų5551.8 Ų51.824%0.24127%0.273CS..Hα-helixtrans-65.3-41.3174.9-73.5-60.5000111.6S617 Q618 T624 F625 I632 L636S617-F621 WeakPolarHBondContact O-CD2 3.03Å; S617-F621 PolarHBondContact O-N 2.99Å; Q618-F621 PolarHBondContact O-N 3.15Å; F621-T624 PolarHBondContact O-N 3.38Å; F621-F625 AromaticContact CD1-CD2 3.91Å; F621-F625 HydrophobicContact CD1-CD2 3.91Å; F621-F625 AromaticContact CD1-CE2 3.81Å; F621-F625 HydrophobicContact CD1-CE2 3.81Å; F621-F625 HydrophobicContact CE1-CE2 4.28Å; F621-F625 WeakPolarHBondContact O-CB 3.29Å; F621-F625 PolarHBondContact O-N 3.33Å; F621-I632 HydrophobicContact CB-CD1 4.31Å; F621-I632 HydrophobicContact CB-CG2 4.02Å; F621-I632 HydrophobicContact CG-CG2 4.37Å; F621-L636 HydrophobicContact CE1-CD2 4.42Å; F621-L636 HydrophobicContact CZ-CD2 4.18Å
622E89.2Confident77.8Confident74 Ų7449.4 Ų49.435%0.34626%0.26SS..Hα-helixtrans-64.2-43.2176.6-72.1-180-178.200112.1Q618 T619 T624 G626 I632Q618-E622 PolarHBondContact O-N 3.14Å; T619-E622 PolarHBondContact O-N 2.71Å; E622-T624 VanDerWaalsContact C-N 3.26Å; E622-T624 PolarHBondContact O-N 3.27Å; E622-G626 WeakPolarHBondContact CA-O 3.5Å; E622-G626 CarbonylContact O-C 3.51Å; E622-G626 WeakPolarHBondContact O-CA 3.39Å; E622-G626 PolarHBondContact O-N 3.21Å; E622-I632 HydrophobicContact CG-CD1 3.88Å
623K90.1Very high79.6Confident82 Ų8246.3 Ų46.336%0.35725%0.251SS..Hα-helixtrans-62.7-34.9172.7-74.7176.3-178.41740112.2T619 S620 T667 E668T619-K623 HydrophobicContact CG2-CD 4.46Å; T619-K623 WeakPolarHBondContact O-CB 3.48Å; T619-K623 WeakPolarHBondContact O-CG 3.26Å; T619-K623 PolarHBondContact O-N 3.48Å; S620-K623 PolarHBondContact O-N 2.62Å; K623-T667 WeakPolarHBondContact O-CA 3.43Å; K623-E668 PolarHBondContact O-N 2.77Å
624T89.7Confident81.5Confident43 Ų4343.8 Ų43.826%0.26423%0.233SC..Hα-helixtrans-80.8-50.2-174.6-61.40000111.7S620 F621 E622 I673S620-T624 WeakPolarHBondContact O-CB 3.25Å; S620-T624 PolarHBondContact O-N 2.73Å; S620-T624 PolarHBondContact O-OG1 3.08Å; F621-T624 PolarHBondContact O-N 3.38Å; E622-T624 VanDerWaalsContact C-N 3.26Å; E622-T624 PolarHBondContact O-N 3.27Å; T624-I673 HydrophobicContact CG2-CD1 3.13Å
625F91.8Very high82.9Confident4 Ų441.3 Ų41.32%0.01822%0.22CC..Hα-helixtrans-104.3-15.8-170.2-70.4-58.3000114.5Y551 Y553 F621 F631 I632 T635 Y663 W669 I673Y551-F625 HydrophobicContact CD1-CE1 4.14Å; Y551-F625 HydrophobicContact CG-CE1 4.07Å; Y553-F625 AromaticContact CE2-CZ 3.92Å; Y553-F625 HydrophobicContact CE2-CZ 3.92Å; F621-F625 AromaticContact CD1-CD2 3.91Å; F621-F625 HydrophobicContact CD1-CD2 3.91Å; F621-F625 AromaticContact CD1-CE2 3.81Å; F621-F625 HydrophobicContact CD1-CE2 3.81Å; F621-F625 HydrophobicContact CE1-CE2 4.28Å; F621-F625 WeakPolarHBondContact O-CB 3.29Å; F621-F625 PolarHBondContact O-N 3.33Å; F625-F631 HydrophobicContact CB-CD1 4.17Å; F625-F631 HydrophobicContact CB-CE1 3.87Å; F625-F631 HydrophobicContact CD1-CE1 4.03Å; F625-F631 HydrophobicContact CG-CE1 4.26Å; F625-I632 HydrophobicContact CB-CG1 4.09Å; F625-T635 HydrophobicContact CD1-CG2 4.33Å; F625-T635 HydrophobicContact CE1-CG2 4.42Å; F625-Y663 WeakPolarHBondContact O-CE1 3.27Å; F625-Y663 PolarHBondContact O-OH 3.1Å; F625-W669 PolarHBondContact O-NE1 2.97Å; F625-I673 HydrophobicContact CD1-CD1 4.31Å; F625-I673 HydrophobicContact CE1-CD1 3.98Å
626G91.4Very high84.7Confident1 Ų142.4 Ų42.41%0.0123%0.226CC..  trans102.9178.2-175.700000113.2E622 S628 I632E622-G626 WeakPolarHBondContact CA-O 3.5Å; E622-G626 CarbonylContact O-C 3.51Å; E622-G626 WeakPolarHBondContact O-CA 3.39Å; E622-G626 PolarHBondContact O-N 3.21Å; G626-S628 VanDerWaalsContact C-N 3.34Å; G626-S628 PolarHBondContact O-N 2.77Å; G626-I632 WeakPolarHBondContact O-CD1 3.45Å
627L89.9Confident86.2Confident127 Ų12743.4 Ų43.467%0.66523%0.231SC*.SBendtrans-77.9-12-168.9-63.5172000114.8T629L627-T629 PolarHBondContact O-N 3.24Å; L627-T629 VanDerWaalsContact O-N 3.12Å
628S90.9Very high86.5Confident2 Ų247.6 Ų47.61%0.01425%0.246CC..  trans-71.2109-179.1172.50000111.2G626 V630 F631 I632 E654 Y663G626-S628 VanDerWaalsContact C-N 3.34Å; G626-S628 PolarHBondContact O-N 2.77Å; S628-V630 VanDerWaalsContact C-N 3.31Å; S628-V630 PolarHBondContact O-N 3.22Å; S628-F631 PolarHBondContact O-N 3.36Å; S628-F631 WeakPolarHBondContact OG-CB 3.35Å; S628-F631 PolarHBondContact OG-N 2.99Å; S628-I632 WeakPolarHBondContact O-CG1 3.31Å; S628-I632 PolarHBondContact O-N 3.34Å; S628-E654 WeakPolarHBondContact CB-OE1 3.37Å; S628-E654 PolarHBondContact OG-OE1 2.65Å; S628-Y663 VanDerWaalsContact CB-OH 3.23Å; S628-Y663 WeakPolarHBondContact CB-OH 3.34Å; S628-Y663 PolarHBondContact N-OH 3.3Å
629T86.8Confident86.9Confident61 Ų6152.1 Ų52.137%0.37427%0.271SS..Hα-helixtrans-63.1-37.3175.154.40000112.2L627 I632 E633L627-T629 PolarHBondContact O-N 3.24Å; L627-T629 VanDerWaalsContact O-N 3.12Å; T629-I632 PolarHBondContact O-N 3.38Å; T629-E633 WeakPolarHBondContact O-CB 3.07Å; T629-E633 WeakPolarHBondContact O-CG 3.29Å; T629-E633 PolarHBondContact O-N 3.18Å
630V88.4Confident87.1Confident39 Ų3950.3 Ų50.324%0.23626%0.264CS..Hα-helixtrans-63.6-43.5177.1179.90000110.7V459 S628 S634 L651 E654V459-V630 HydrophobicContact CG1-CG1 4.43Å; S628-V630 VanDerWaalsContact C-N 3.31Å; S628-V630 PolarHBondContact O-N 3.22Å; V630-S634 WeakPolarHBondContact O-CB 3.18Å; V630-S634 PolarHBondContact O-N 2.76Å; V630-L651 HydrophobicContact CG1-CD2 4.47Å; V630-E654 HydrophobicContact CB-CG 3.79Å; V630-E654 HydrophobicContact CG1-CG 4.12Å; V630-E654 HydrophobicContact CG2-CG 3.99Å
631F90.8Very high87.2Confident0 Ų050.8 Ų50.80%027%0.272CS..Hα-helixtrans-65.2-45.8176.2177.5-111.7000111.6R455 A458 V459 Y551 F625 S628 E633 S634 T635 V658 W669R455-F631 HydrophobicContact CB-CE2 4.3Å; R455-F631 HydrophobicContact CG-CE1 4.43Å; R455-F631 HydrophobicContact CG-CE2 4.27Å; R455-F631 HydrophobicContact CG-CZ 4.09Å; A458-F631 HydrophobicContact CB-CD2 3.7Å; A458-F631 HydrophobicContact CB-CE2 3.44Å; A458-F631 VanDerWaalsContact CB-CE2 3.44Å; V459-F631 HydrophobicContact CG2-CB 4.41Å; V459-F631 HydrophobicContact CG2-CD2 4.47Å; Y551-F631 HydrophobicContact CE1-CE2 4.2Å; Y551-F631 AromaticContact CE1-CZ 3.76Å; Y551-F631 HydrophobicContact CE1-CZ 3.76Å; F625-F631 HydrophobicContact CB-CD1 4.17Å; F625-F631 HydrophobicContact CB-CE1 3.87Å; F625-F631 HydrophobicContact CD1-CE1 4.03Å; F625-F631 HydrophobicContact CG-CE1 4.26Å; S628-F631 PolarHBondContact O-N 3.36Å; S628-F631 WeakPolarHBondContact OG-CB 3.35Å; S628-F631 PolarHBondContact OG-N 2.99Å; F631-E633 PolarHBondContact O-N 3.22Å; F631-S634 WeakPolarHBondContact O-CB 3.41Å; F631-S634 PolarHBondContact O-N 3.09Å; F631-S634 VanDerWaalsContact O-N 3.13Å; F631-T635 HydrophobicContact CD1-CG2 4.28Å; F631-T635 HydrophobicContact CD2-CG2 4.34Å; F631-T635 HydrophobicContact CE1-CG2 3.78Å; F631-T635 HydrophobicContact CE2-CG2 3.85Å; F631-T635 HydrophobicContact CZ-CG2 3.51Å; F631-T635 VanDerWaalsContact O-CG2 3.28Å; F631-T635 WeakPolarHBondContact O-CG2 3.47Å; F631-T635 PolarHBondContact O-N 3.32Å; F631-V658 HydrophobicContact CB-CG1 4.26Å; F631-W669 AromaticContact CE1-CZ2 3.69Å; F631-W669 HydrophobicContact CE1-CZ2 3.69Å; F631-W669 HydrophobicContact CZ-CH2 4.19Å; F631-W669 AromaticContact CZ-CZ2 3.54Å; F631-W669 HydrophobicContact CZ-CZ2 3.54Å
632I89Confident87Confident18 Ų1850.8 Ų50.89%0.09228%0.277CS..Hα-helixtrans-57.4-48.5176.7-67.6166.9000110.7F621 E622 F625 G626 S628 T629 S634 T635 L636F621-I632 HydrophobicContact CB-CD1 4.31Å; F621-I632 HydrophobicContact CB-CG2 4.02Å; F621-I632 HydrophobicContact CG-CG2 4.37Å; E622-I632 HydrophobicContact CG-CD1 3.88Å; F625-I632 HydrophobicContact CB-CG1 4.09Å; G626-I632 WeakPolarHBondContact O-CD1 3.45Å; S628-I632 WeakPolarHBondContact O-CG1 3.31Å; S628-I632 PolarHBondContact O-N 3.34Å; T629-I632 PolarHBondContact O-N 3.38Å; I632-S634 VanDerWaalsContact C-N 3.28Å; I632-S634 PolarHBondContact O-N 3.15Å; I632-T635 PolarHBondContact O-N 3.24Å; I632-T635 VanDerWaalsContact O-N 3.13Å; I632-T635 PolarHBondContact O-OG1 2.96Å; I632-L636 HydrophobicContact CG2-CD1 4.25Å; I632-L636 PolarHBondContact O-N 2.78Å
633E85.9Confident86.3Confident49 Ų4950.1 Ų50.123%0.22928%0.279CS..Hα-helixtrans-57.6-41.3176.6-76.3-176.1176.100111.8T629 F631 L636T629-E633 WeakPolarHBondContact O-CB 3.07Å; T629-E633 WeakPolarHBondContact O-CG 3.29Å; T629-E633 PolarHBondContact O-N 3.18Å; F631-E633 PolarHBondContact O-N 3.22Å; E633-L636 PolarHBondContact O-N 2.97Å
634S87.1Confident85.1Confident9 Ų954.4 Ų54.46%0.06331%0.306CS..Hα-helixtrans-62.1-41.1175.9176.70000112.6A458 N462 V630 F631 I632 L636 M637A458-S634 WeakPolarHBondContact O-CB 3.4Å; A458-S634 PolarHBondContact O-OG 3.45Å; N462-S634 PolarHBondContact ND2-O 3.19Å; N462-S634 PolarHBondContact ND2-OG 3.39Å; N462-S634 PolarHBondContact OD1-OG 3.38Å; V630-S634 WeakPolarHBondContact O-CB 3.18Å; V630-S634 PolarHBondContact O-N 2.76Å; F631-S634 WeakPolarHBondContact O-CB 3.41Å; F631-S634 PolarHBondContact O-N 3.09Å; F631-S634 VanDerWaalsContact O-N 3.13Å; I632-S634 VanDerWaalsContact C-N 3.28Å; I632-S634 PolarHBondContact O-N 3.15Å; S634-L636 PolarHBondContact O-N 2.99Å; S634-M637 PolarHBondContact O-N 3.23Å; S634-M637 VanDerWaalsContact O-N 3.17Å
635T84.7Confident83.8Confident1 Ų157.1 Ų57.11%0.00633%0.326CS..Hα-helixtrans-64.8-26.5178.970.80000113.5Q548 Y551 F625 F631 I632 M637Q548-T635 PolarHBondContact NE2-O 2.66Å; Y551-T635 HydrophobicContact CD2-CG2 4.11Å; Y551-T635 HydrophobicContact CE1-CG2 4.15Å; Y551-T635 HydrophobicContact CE2-CG2 3.71Å; F625-T635 HydrophobicContact CD1-CG2 4.33Å; F625-T635 HydrophobicContact CE1-CG2 4.42Å; F631-T635 HydrophobicContact CD1-CG2 4.28Å; F631-T635 HydrophobicContact CD2-CG2 4.34Å; F631-T635 HydrophobicContact CE1-CG2 3.78Å; F631-T635 HydrophobicContact CE2-CG2 3.85Å; F631-T635 HydrophobicContact CZ-CG2 3.51Å; F631-T635 VanDerWaalsContact O-CG2 3.28Å; F631-T635 WeakPolarHBondContact O-CG2 3.47Å; F631-T635 PolarHBondContact O-N 3.32Å; I632-T635 PolarHBondContact O-N 3.24Å; I632-T635 VanDerWaalsContact O-N 3.13Å; I632-T635 PolarHBondContact O-OG1 2.96Å; T635-M637 VanDerWaalsContact C-N 3.27Å; T635-M637 PolarHBondContact O-N 3.19Å
636L84.7Confident82.8Confident99 Ų9958.1 Ų58.152%0.51833%0.333SS..THydrogen-bonded Turntrans-77.6-10.6179.6-68.8162.8000113F621 I632 E633 S634 E638F621-L636 HydrophobicContact CE1-CD2 4.42Å; F621-L636 HydrophobicContact CZ-CD2 4.18Å; I632-L636 HydrophobicContact CG2-CD1 4.25Å; I632-L636 PolarHBondContact O-N 2.78Å; E633-L636 PolarHBondContact O-N 2.97Å; S634-L636 PolarHBondContact O-N 2.99Å; L636-E638 PolarHBondContact O-N 3.24Å
637M84.5Confident82.1Confident68 Ų6862.4 Ų62.434%0.33536%0.356SS..  trans-88.8100.2177.9-61.1-174.3-176.700111S634 T635 N639 G640 P643S634-M637 PolarHBondContact O-N 3.23Å; S634-M637 VanDerWaalsContact O-N 3.17Å; T635-M637 VanDerWaalsContact C-N 3.27Å; T635-M637 PolarHBondContact O-N 3.19Å; M637-N639 PolarHBondContact O-N 3.29Å; M637-G640 PolarHBondContact O-N 3.22Å; M637-G640 VanDerWaalsContact O-N 3.08Å; M637-P643 HydrophobicContact CE-CG 4.03Å
638E77.6Confident81.6Confident134 Ų13460.8 Ų60.863%0.62635%0.352SS*.THydrogen-bonded Turntrans-63.8-38.2-175.2-169.2171.3-168.900113.7L636 G640L636-E638 PolarHBondContact O-N 3.24Å; E638-G640 PolarHBondContact O-N 3.06Å
639N81.3Confident81.2Confident150 Ų15064.1 Ų64.180%0.80238%0.376SS*.THydrogen-bonded Turntrans-81.3-2.4177-69.9-12.3000113.4M637M637-N639 PolarHBondContact O-N 3.29Å
640G85.3Confident81.2Confident18 Ų1865 Ų6519%0.18638%0.382CS..  trans71.1-162.2-176.700000114N462 M637 E638N462-G640 CarbonylContact O-C 3.54Å; N462-G640 WeakPolarHBondContact O-CA 3.31Å; M637-G640 PolarHBondContact O-N 3.22Å; M637-G640 VanDerWaalsContact O-N 3.08Å; E638-G640 PolarHBondContact O-N 3.06Å
641G85.3Confident81.2Confident33 Ų3364.2 Ų64.234%0.3438%0.376SS..  trans89.6165.3-176.500000114.1N462N462-G641 WeakPolarHBondContact CB-O 3.31Å; N462-G641 PolarHBondContact ND2-O 2.91Å; N462-G641 PolarHBondContact O-N 3Å
642V82.6Confident81.1Confident54 Ų5467.4 Ų67.433%0.32739%0.392SS..  trans-112140.9174.4-67.70000109D644V642-D644 PolarHBondContact O-N 3.13Å
643P73.8Confident81.1Confident60 Ų6074.3 Ų74.339%0.3942%0.421SS..  trans-63.4132.7177-18.229.6000111.3M637 S645 V646M637-P643 HydrophobicContact CE-CG 4.03Å; P643-S645 PolarHBondContact O-N 2.99Å; P643-V646 HydrophobicContact CB-CG2 4.18Å; P643-V646 HydrophobicContact CG-CG2 4.4Å; P643-V646 PolarHBondContact O-N 3.38Å
644D65.7Low81.4Confident172 Ų17273.9 Ų73.992%0.9242%0.419SS*.THydrogen-bonded Turntrans-57-20.1-178.3-62.1-35.2000114.2V642 V646V642-D644 PolarHBondContact O-N 3.13Å; D644-V646 VanDerWaalsContact C-N 3.31Å; D644-V646 PolarHBondContact O-N 3.06Å
645S61.8Low81.8Confident100 Ų10073.4 Ų73.470%0.69942%0.416SS*.THydrogen-bonded Turntrans-81.32.7-176.359.70000115.2P643P643-S645 PolarHBondContact O-N 2.99Å
646V70.7Confident82.2Confident26 Ų2676.7 Ų76.716%0.15843%0.433CS..SBendtrans-100.2128.6-172.4-167.10000111.8P643 D644 P648 L651P643-V646 HydrophobicContact CB-CG2 4.18Å; P643-V646 HydrophobicContact CG-CG2 4.4Å; P643-V646 PolarHBondContact O-N 3.38Å; D644-V646 VanDerWaalsContact C-N 3.31Å; D644-V646 PolarHBondContact O-N 3.06Å; V646-P648 WeakPolarHBondContact O-CD 3.06Å; V646-L651 HydrophobicContact CB-CD1 4.39Å; V646-L651 HydrophobicContact CB-CD2 4.37Å; V646-L651 HydrophobicContact CB-CG 4.36Å; V646-L651 HydrophobicContact CG1-CD1 4.24Å; V646-L651 HydrophobicContact CG1-CD2 3.61Å; V646-L651 HydrophobicContact CG1-CG 3.68Å
647N78.4Confident82.7Confident91 Ų9175.9 Ų75.949%0.48743%0.426SS..  trans-64.5124.7176.8-174.6-16.4000110.8S649 T650 L651N647-S649 PolarHBondContact ND2-OG 2.62Å; N647-S649 PolarHBondContact O-N 2.86Å; N647-S649 PolarHBondContact OD1-N 3.47Å; N647-S649 VanDerWaalsContact OD1-N 3.1Å; N647-S649 PolarHBondContact OD1-OG 3.2Å; N647-S649 VanDerWaalsContact OD1-OG 3.05Å; N647-T650 WeakPolarHBondContact O-CB 3.15Å; N647-T650 PolarHBondContact O-N 2.95Å; N647-T650 VanDerWaalsContact O-N 3.08Å; N647-L651 PolarHBondContact O-N 2.85Å
648P79.2Confident83.2Confident92 Ų9272.6 Ų72.660%0.59741%0.41SS*.Hα-helixtrans-53-35.9178-28.435.1000114.6V646 T650 L651 I652V646-P648 WeakPolarHBondContact O-CD 3.06Å; P648-T650 VanDerWaalsContact C-N 3.35Å; P648-T650 PolarHBondContact O-N 2.8Å; P648-L651 PolarHBondContact O-N 3.25Å; P648-I652 WeakPolarHBondContact O-CG1 3.39Å; P648-I652 PolarHBondContact O-N 3.25Å
649S81.2Confident84Confident72 Ų7266.3 Ų66.350%0.50338%0.381SS..Hα-helixtrans-67.8-35.8179.865.90000112.3N647 I652 K653N647-S649 PolarHBondContact ND2-OG 2.62Å; N647-S649 PolarHBondContact O-N 2.86Å; N647-S649 PolarHBondContact OD1-N 3.47Å; N647-S649 VanDerWaalsContact OD1-N 3.1Å; N647-S649 PolarHBondContact OD1-OG 3.2Å; N647-S649 VanDerWaalsContact OD1-OG 3.05Å; S649-I652 PolarHBondContact O-N 3.18Å; S649-K653 PolarHBondContact O-N 3.48Å; S649-K653 VanDerWaalsContact O-N 3.14Å
650T86.4Confident84.6Confident81 Ų8160.2 Ų60.250%0.49735%0.35SS..Hα-helixtrans-67.6-39.3174.6-47.80000111N647 P648 I652 K653 E654N647-T650 WeakPolarHBondContact O-CB 3.15Å; N647-T650 PolarHBondContact O-N 2.95Å; N647-T650 VanDerWaalsContact O-N 3.08Å; P648-T650 VanDerWaalsContact C-N 3.35Å; P648-T650 PolarHBondContact O-N 2.8Å; T650-I652 VanDerWaalsContact C-N 3.34Å; T650-I652 PolarHBondContact O-N 3.45Å; T650-K653 PolarHBondContact O-N 3.49Å; T650-E654 PolarHBondContact O-N 2.82Å
651L88.9Confident84.9Confident21 Ų2160.1 Ų60.111%0.1135%0.346CS..Hα-helixtrans-62.1-40.2174.6-69177.6000112V459 L460 V630 V646 N647 P648 E654 A655V459-L651 HydrophobicContact CG1-CB 4.45Å; V459-L651 HydrophobicContact CG1-CD2 4.04Å; L460-L651 HydrophobicContact CD2-CB 4.31Å; V630-L651 HydrophobicContact CG1-CD2 4.47Å; V646-L651 HydrophobicContact CB-CD1 4.39Å; V646-L651 HydrophobicContact CB-CD2 4.37Å; V646-L651 HydrophobicContact CB-CG 4.36Å; V646-L651 HydrophobicContact CG1-CD1 4.24Å; V646-L651 HydrophobicContact CG1-CD2 3.61Å; V646-L651 HydrophobicContact CG1-CG 3.68Å; N647-L651 PolarHBondContact O-N 2.85Å; P648-L651 PolarHBondContact O-N 3.25Å; L651-E654 PolarHBondContact O-N 3.11Å; L651-A655 WeakPolarHBondContact O-CB 3.17Å; L651-A655 PolarHBondContact O-N 3.32Å
652I88.2Confident85.1Confident67 Ų6759.9 Ų59.934%0.34434%0.344SS..Hα-helixtrans-64.4-42.8176.6-66.9168.8000110.8P648 S649 T650 E654 A655 I656P648-I652 WeakPolarHBondContact O-CG1 3.39Å; P648-I652 PolarHBondContact O-N 3.25Å; S649-I652 PolarHBondContact O-N 3.18Å; T650-I652 VanDerWaalsContact C-N 3.34Å; T650-I652 PolarHBondContact O-N 3.45Å; I652-E654 VanDerWaalsContact C-N 3.32Å; I652-E654 PolarHBondContact O-N 3.32Å; I652-A655 WeakPolarHBondContact O-CB 3.33Å; I652-A655 PolarHBondContact O-N 2.91Å; I652-I656 HydrophobicContact CG2-CD1 4.21Å; I652-I656 WeakPolarHBondContact O-CG1 2.97Å; I652-I656 PolarHBondContact O-N 2.83Å
653K89.6Confident85.6Confident163 Ų16358 Ų5871%0.70933%0.331SS*.Hα-helixtrans-61.2-42.9177.1-171.8179.3179.6-1790111.7S649 T650 I656 H657S649-K653 PolarHBondContact O-N 3.48Å; S649-K653 VanDerWaalsContact O-N 3.14Å; T650-K653 PolarHBondContact O-N 3.49Å; K653-I656 PolarHBondContact O-N 3.34Å; K653-H657 PolarHBondContact O-N 3.31Å; K653-H657 VanDerWaalsContact O-N 3.16Å
654E93Very high86.4Confident40 Ų4056.2 Ų56.219%0.18732%0.318CS..Hα-helixtrans-67.3-39176.1-168.960.9-152.700112V459 S628 V630 T650 L651 I652 I656 H657 V658V459-E654 HydrophobicContact CG1-CB 4.1Å; V459-E654 HydrophobicContact CG1-CG 4.19Å; S628-E654 WeakPolarHBondContact CB-OE1 3.37Å; S628-E654 PolarHBondContact OG-OE1 2.65Å; V630-E654 HydrophobicContact CB-CG 3.79Å; V630-E654 HydrophobicContact CG1-CG 4.12Å; V630-E654 HydrophobicContact CG2-CG 3.99Å; T650-E654 PolarHBondContact O-N 2.82Å; L651-E654 PolarHBondContact O-N 3.11Å; I652-E654 VanDerWaalsContact C-N 3.32Å; I652-E654 PolarHBondContact O-N 3.32Å; E654-I656 VanDerWaalsContact C-N 3.29Å; E654-I656 PolarHBondContact O-N 2.94Å; E654-H657 WeakPolarHBondContact O-CB 3.5Å; E654-H657 PolarHBondContact O-N 3.48Å; E654-H657 VanDerWaalsContact O-N 3.07Å; E654-H657 IonicContact OE1-CD2 2.8Å; E654-V658 PolarHBondContact O-N 2.83Å
655A94.3Very high87.5Confident0 Ų053.2 Ų53.20%030%0.298CS..Hα-helixtrans-60-39.1175.100000111.5I410 V456 V459 L460 L651 I652 V658 I659I410-A655 VanDerWaalsContact CD1-C 3.47Å; I410-A655 HydrophobicContact CD1-CB 3.5Å; V456-A655 HydrophobicContact CG2-CB 3.73Å; V459-A655 HydrophobicContact CG1-CB 4.23Å; L460-A655 HydrophobicContact CD1-CB 4.37Å; L460-A655 HydrophobicContact CD2-CB 3.92Å; L460-A655 HydrophobicContact CG-CB 4.08Å; L651-A655 WeakPolarHBondContact O-CB 3.17Å; L651-A655 PolarHBondContact O-N 3.32Å; I652-A655 WeakPolarHBondContact O-CB 3.33Å; I652-A655 PolarHBondContact O-N 2.91Å; A655-V658 VanDerWaalsContact O-CG2 3.25Å; A655-V658 WeakPolarHBondContact O-CG2 3.33Å; A655-I659 PolarHBondContact O-N 3.07Å
656I93.8Very high88.7Confident70 Ų7057.6 Ų57.636%0.35930%0.304SS..Hα-helixtrans-65.3-40.1173.3-67.1167.8000110.9I410 I652 K653 E654 I659I410-I656 HydrophobicContact CD1-CG1 3.97Å; I410-I656 HydrophobicContact CG1-CG1 4.28Å; I652-I656 HydrophobicContact CG2-CD1 4.21Å; I652-I656 WeakPolarHBondContact O-CG1 2.97Å; I652-I656 PolarHBondContact O-N 2.83Å; K653-I656 PolarHBondContact O-N 3.34Å; E654-I656 VanDerWaalsContact C-N 3.29Å; E654-I656 PolarHBondContact O-N 2.94Å; I656-I659 WeakPolarHBondContact O-CG1 3.47Å; I656-I659 PolarHBondContact O-N 2.92Å
657H94.4Very high89.7Confident81 Ų8156.7 Ų56.738%0.37530%0.299SS..Hα-helixtrans-61.7-45.3178.3175.752.3000112.4K653 E654 I659 S660 Y663K653-H657 PolarHBondContact O-N 3.31Å; K653-H657 VanDerWaalsContact O-N 3.16Å; E654-H657 WeakPolarHBondContact O-CB 3.5Å; E654-H657 PolarHBondContact O-N 3.48Å; E654-H657 VanDerWaalsContact O-N 3.07Å; E654-H657 IonicContact OE1-CD2 2.8Å; H657-I659 PolarHBondContact O-N 3.1Å; H657-S660 WeakPolarHBondContact O-CB 3.44Å; H657-S660 PolarHBondContact O-N 3.31Å; H657-S660 PolarHBondContact O-OG 3.02Å; H657-Y663 AromaticContact NE2-CE2 3.91Å
658V95.2Very high90.4Very high0 Ų055.6 Ų55.60%029%0.291CS..Hα-helixtrans-71.2-14.4-177.2-590000114.1R455 V459 F631 E654 A655 Y663R455-V658 HydrophobicContact CB-CB 4.15Å; R455-V658 HydrophobicContact CB-CG2 4.09Å; R455-V658 PolarHBondContact NE-O 3.31Å; R455-V658 PolarHBondContact NH2-O 3.36Å; R455-V658 VanDerWaalsContact NH2-O 3.08Å; V459-V658 HydrophobicContact CG2-CG1 4.35Å; V459-V658 HydrophobicContact CG2-CG2 4.14Å; F631-V658 HydrophobicContact CB-CG1 4.26Å; E654-V658 PolarHBondContact O-N 2.83Å; A655-V658 VanDerWaalsContact O-CG2 3.25Å; A655-V658 WeakPolarHBondContact O-CG2 3.33Å; V658-Y663 HydrophobicContact CB-CD2 4.45Å; V658-Y663 HydrophobicContact CB-CE2 4.2Å; V658-Y663 HydrophobicContact CG1-CE2 3.87Å
659I95.8Very high91.1Very high1 Ų151.4 Ų51.41%0.00526%0.263CS..THydrogen-bonded Turntrans-98.36.1174.765.7168.7000113.6I410 V433 E436 A452 V456 A655 I656 H657I410-I659 HydrophobicContact CD1-CD1 3.89Å; I410-I659 HydrophobicContact CG1-CD1 3.73Å; V433-I659 HydrophobicContact CG1-CD1 4.15Å; V433-I659 HydrophobicContact CG1-CG2 4.43Å; E436-I659 PolarHBondContact N-O 3.33Å; A452-I659 HydrophobicContact CB-CG2 4.26Å; V456-I659 HydrophobicContact CB-CG2 3.73Å; V456-I659 HydrophobicContact CG2-CG2 3.98Å; A655-I659 PolarHBondContact O-N 3.07Å; I656-I659 WeakPolarHBondContact O-CG1 3.47Å; I656-I659 PolarHBondContact O-N 2.92Å; H657-I659 PolarHBondContact O-N 3.1Å
660S94Very high91.6Very high22 Ų2248 Ų4815%0.15424%0.239CC..SBendtrans-65.8150.6177.363.10000112.1E436 H657 G662 Y663E436-S660 VanDerWaalsContact OE2-CA 3.31Å; E436-S660 WeakPolarHBondContact OE2-CA 3.36Å; E436-S660 VanDerWaalsContact OE2-CB 3.22Å; E436-S660 WeakPolarHBondContact OE2-CB 3.46Å; H657-S660 WeakPolarHBondContact O-CB 3.44Å; H657-S660 PolarHBondContact O-N 3.31Å; H657-S660 PolarHBondContact O-OG 3.02Å; S660-G662 VanDerWaalsContact C-N 3.28Å; S660-G662 PolarHBondContact O-N 3.02Å; S660-Y663 WeakPolarHBondContact O-CB 3.45Å; S660-Y663 PolarHBondContact O-N 3.36Å
661C90Very high91.7Very high17 Ų1749 Ų4912%0.11524%0.237CC..THydrogen-bonded Turntrans-66.6-30.3-174.463.30000113E436 Y441E436-C661 HydrophobicContact CB-CB 4.44Å; E436-C661 HydrophobicContact CG-CB 4.33Å; Y441-C661 HydrophobicContact CD1-CB 4.03Å; Y441-C661 HydrophobicContact CG-CB 4.16Å
662G90.4Very high91.5Very high28 Ų2849.9 Ų49.929%0.28924%0.24SC..THydrogen-bonded Turntrans-83.3-6.6177.500000114.7S660 E664 E665S660-G662 VanDerWaalsContact C-N 3.28Å; S660-G662 PolarHBondContact O-N 3.02Å; G662-E664 PolarHBondContact O-N 3.12Å; G662-E665 WeakPolarHBondContact O-CB 3.44Å; G662-E665 PolarHBondContact O-N 3.48Å; G662-E665 VanDerWaalsContact O-N 3.16Å
663Y92.9Very high91.7Very high14 Ų1447 Ų476%0.05523%0.226CC..THydrogen-bonded Turntrans-62.4-32.6-175-167.6-88.4000112.9F625 S628 H657 V658 S660 E665 T667F625-Y663 WeakPolarHBondContact O-CE1 3.27Å; F625-Y663 PolarHBondContact O-OH 3.1Å; S628-Y663 VanDerWaalsContact CB-OH 3.23Å; S628-Y663 WeakPolarHBondContact CB-OH 3.34Å; S628-Y663 PolarHBondContact N-OH 3.3Å; H657-Y663 AromaticContact NE2-CE2 3.91Å; V658-Y663 HydrophobicContact CB-CD2 4.45Å; V658-Y663 HydrophobicContact CB-CE2 4.2Å; V658-Y663 HydrophobicContact CG1-CE2 3.87Å; S660-Y663 WeakPolarHBondContact O-CB 3.45Å; S660-Y663 PolarHBondContact O-N 3.36Å; Y663-E665 VanDerWaalsContact C-N 3.32Å; Y663-T667 WeakPolarHBondContact O-CG2 3.29Å
664E91.1Very high91.9Very high23 Ų2339.5 Ų39.511%0.10719%0.194CC..THydrogen-bonded Turntrans-83.2-10.3-176.6-63.1172.2-165.600112.4R435 R455 G662 K666 T667 W669 Y677R435-E664 IonicContact NH1-OE1 3.03Å; R455-E664 IonicContact CZ-OE1 2.6Å; R455-E664 VanDerWaalsContact CZ-OE1 3.29Å; R455-E664 IonicContact NH1-OE1 2.98Å; R455-E664 PolarHBondContact NH1-OE1 2.94Å; R455-E664 IonicContact NH2-OE1 3.19Å; R455-E664 PolarHBondContact NH2-OE1 3.35Å; G662-E664 PolarHBondContact O-N 3.12Å; E664-K666 PolarHBondContact O-N 2.83Å; E664-T667 WeakPolarHBondContact CA-OG1 3.36Å; E664-T667 PolarHBondContact O-N 3.25Å; E664-T667 PolarHBondContact O-OG1 2.8Å; E664-W669 HydrophobicContact CB-CB 4.34Å; E664-W669 HydrophobicContact CG-CB 4.04Å; E664-Y677 VanDerWaalsContact CD-OH 3.23Å; E664-Y677 PolarHBondContact OE1-OH 3.41Å; E664-Y677 WeakPolarHBondContact OE2-CE2 3.49Å; E664-Y677 PolarHBondContact OE2-OH 2.9Å
665E88Confident92Very high109 Ų10937.6 Ų37.651%0.50919%0.186SC..THydrogen-bonded Turntrans-63.6133.3-179.8-70.5-165.116400111.8Y441 G662 Y663 T667Y441-E665 HydrophobicContact CE1-CG 4.3Å; Y441-E665 WeakPolarHBondContact CE1-OE1 3.32Å; Y441-E665 PolarHBondContact OH-OE1 3.25Å; G662-E665 WeakPolarHBondContact O-CB 3.44Å; G662-E665 PolarHBondContact O-N 3.48Å; G662-E665 VanDerWaalsContact O-N 3.16Å; Y663-E665 VanDerWaalsContact C-N 3.32Å; E665-T667 PolarHBondContact O-N 3.17Å
666K86.5Confident92Very high192 Ų19237.7 Ų37.784%0.83519%0.186SC*.THydrogen-bonded Turntrans5816.8-178.8-53.2175.2-175.8171.40114.3E664E664-K666 PolarHBondContact O-N 2.83Å
667T92.6Very high91.9Very high6 Ų635.9 Ų35.94%0.03718%0.175CC..SBendtrans-101.9174.7170.973.60000112.2K623 Y663 E664 E665 W669 K671K623-T667 WeakPolarHBondContact O-CA 3.43Å; Y663-T667 WeakPolarHBondContact O-CG2 3.29Å; E664-T667 WeakPolarHBondContact CA-OG1 3.36Å; E664-T667 PolarHBondContact O-N 3.25Å; E664-T667 PolarHBondContact O-OG1 2.8Å; E665-T667 PolarHBondContact O-N 3.17Å; T667-W669 PolarHBondContact OG1-N 2.72Å; T667-K671 PolarHBondContact O-NZ 3.26Å
668E92.7Very high91.2Very high68 Ų6835.2 Ų35.232%0.31819%0.19SC..  trans-89.92.2174.4-66.4-54.6139.400113.9K623 G670 K671 E672 I673K623-E668 PolarHBondContact O-N 2.77Å; E668-G670 PolarHBondContact O-N 3.49Å; E668-K671 PolarHBondContact O-N 3.23Å; E668-K671 VanDerWaalsContact O-N 3.16Å; E668-E672 HydrophobicContact CB-CB 4.4Å; E668-E672 PolarHBondContact O-N 3.14Å; E668-I673 HydrophobicContact CB-CD1 4.09Å; E668-I673 HydrophobicContact CB-CG1 4.28Å; E668-I673 PolarHBondContact O-N 3.31Å
669W94.3Very high90.6Very high4 Ų436 Ų362%0.01520%0.196CC..BIsolated β-bridgetrans-57.2129174.8-80.4104.3000111.7N451 V454 R455 Y551 F625 F631 E664 T667 K671 I673N451-W669 HydrophobicContact CB-CE3 4Å; N451-W669 HydrophobicContact CB-CZ3 4.23Å; V454-W669 HydrophobicContact CB-CH2 4.3Å; V454-W669 HydrophobicContact CB-CZ3 4.42Å; V454-W669 HydrophobicContact CG1-CH2 3.79Å; V454-W669 HydrophobicContact CG1-CZ3 4.24Å; R455-W669 HydrophobicContact CG-CH2 3.7Å; R455-W669 HydrophobicContact CG-CZ2 3.39Å; R455-W669 HydrophobicContact CG-CZ3 4.37Å; Y551-W669 HydrophobicContact CD1-CH2 4.28Å; Y551-W669 HydrophobicContact CE1-CH2 4.19Å; F625-W669 PolarHBondContact O-NE1 2.97Å; F631-W669 AromaticContact CE1-CZ2 3.69Å; F631-W669 HydrophobicContact CE1-CZ2 3.69Å; F631-W669 HydrophobicContact CZ-CH2 4.19Å; F631-W669 AromaticContact CZ-CZ2 3.54Å; F631-W669 HydrophobicContact CZ-CZ2 3.54Å; E664-W669 HydrophobicContact CB-CB 4.34Å; E664-W669 HydrophobicContact CG-CB 4.04Å; T667-W669 PolarHBondContact OG1-N 2.72Å; W669-K671 PolarHBondContact O-N 3.15Å; W669-I673 HydrophobicContact CD2-CG2 4.22Å; W669-I673 HydrophobicContact CE3-CG2 3.98Å; W669-I673 HydrophobicContact CH2-CG2 4.08Å; W669-I673 HydrophobicContact CZ2-CG2 4.29Å; W669-I673 HydrophobicContact CZ3-CG2 3.92Å
670G90.8Very high90Very high1 Ų137.1 Ų37.11%0.0120%0.201CC..THydrogen-bonded Turntrans70.7-14-177.800000115.9E668 I673 W675 I676 Y677E668-G670 PolarHBondContact O-N 3.49Å; G670-I673 WeakPolarHBondContact CA-O 3.49Å; G670-I673 PolarHBondContact N-O 3.17Å; G670-W675 WeakPolarHBondContact CA-O 3.37Å; G670-I676 CarbonylContact O-C 3.54Å; G670-I676 WeakPolarHBondContact O-CA 3.38Å; G670-Y677 PolarHBondContact O-N 3.46Å
671K88.9Confident89.6Confident101 Ų10136.3 Ų36.344%0.43920%0.196SC..THydrogen-bonded Turntrans-89-51.2174.9-60.8172.5-168.4152.40111T667 E668 W669T667-K671 PolarHBondContact O-NZ 3.26Å; E668-K671 PolarHBondContact O-N 3.23Å; E668-K671 VanDerWaalsContact O-N 3.16Å; W669-K671 PolarHBondContact O-N 3.15Å
672E85.8Confident89.7Confident40 Ų4036.7 Ų36.719%0.18720%0.196CC..THydrogen-bonded Turntrans-125.1-21.7-179-64.8-68.715800111.5E668 K689 R693 R736E668-E672 HydrophobicContact CB-CB 4.4Å; E668-E672 PolarHBondContact O-N 3.14Å; E672-K689 WeakPolarHBondContact OE2-CE 3.36Å; E672-K689 IonicContact OE2-NZ 3.91Å; E672-K689 PolarHBondContact OE2-NZ 3.31Å; E672-R693 PolarHBondContact O-NH1 3.38Å; E672-R693 PolarHBondContact O-NH2 2.75Å; E672-R693 IonicContact OE2-NH2 3.53Å; E672-R736 IonicContact OE1-CZ 3.36Å; E672-R736 IonicContact OE1-NH1 3.66Å; E672-R736 IonicContact OE1-NH2 2.65Å; E672-R736 PolarHBondContact OE1-NH2 3.43Å
673I91.6Very high89.8Confident7 Ų736.6 Ų36.64%0.03619%0.189CC..BIsolated β-bridgetrans-118.3146.4-173.3-64.1-178.5000111.8Y551 T624 F625 E668 W669 G670Y551-I673 WeakPolarHBondContact O-CD1 3.4Å; T624-I673 HydrophobicContact CG2-CD1 3.13Å; F625-I673 HydrophobicContact CD1-CD1 4.31Å; F625-I673 HydrophobicContact CE1-CD1 3.98Å; E668-I673 HydrophobicContact CB-CD1 4.09Å; E668-I673 HydrophobicContact CB-CG1 4.28Å; E668-I673 PolarHBondContact O-N 3.31Å; W669-I673 HydrophobicContact CD2-CG2 4.22Å; W669-I673 HydrophobicContact CE3-CG2 3.98Å; W669-I673 HydrophobicContact CH2-CG2 4.08Å; W669-I673 HydrophobicContact CZ2-CG2 4.29Å; W669-I673 HydrophobicContact CZ3-CG2 3.92Å; G670-I673 WeakPolarHBondContact CA-O 3.49Å; G670-I673 PolarHBondContact N-O 3.17Å
674G93.8Very high89.9Confident5 Ų537 Ų375%0.05219%0.192CC..SBendtrans71.4-148.8179.900000112.3N451 L550N451-G674 VanDerWaalsContact OD1-CA 3.31Å; N451-G674 WeakPolarHBondContact OD1-CA 3.45Å; L550-G674 WeakPolarHBondContact O-CA 3.4Å; L550-G674 PolarHBondContact O-N 3.26Å
675W96.2Very high90.1Very high0 Ų036.1 Ų36.10%019%0.187CC..SBendtrans-72125170.5-87.2-108.5000110.3A447 E450 N451 V454 N468 Y538 F545 L550 G670 Y677 T686A447-W675 HydrophobicContact CB-CB 4.04Å; E450-W675 HydrophobicContact CB-CD2 3.72Å; E450-W675 HydrophobicContact CB-CE3 3.87Å; E450-W675 HydrophobicContact CB-CG 4.03Å; E450-W675 HydrophobicContact CB-CZ3 4.33Å; E450-W675 HydrophobicContact CG-CD2 4.29Å; E450-W675 HydrophobicContact CG-CG 4.49Å; N451-W675 PolarHBondContact ND2-O 3.41Å; N451-W675 PolarHBondContact OD1-N 2.95Å; V454-W675 HydrophobicContact CG2-CE3 4.18Å; V454-W675 HydrophobicContact CG2-CZ3 3.63Å; N468-W675 HydrophobicContact CB-CZ2 4.44Å; Y538-W675 HydrophobicContact CE1-CZ2 4.36Å; Y538-W675 AromaticContact CE1-NE1 3.52Å; Y538-W675 AromaticContact CZ-NE1 4Å; F545-W675 HydrophobicContact CD2-CH2 4.16Å; F545-W675 HydrophobicContact CD2-CZ2 4.31Å; F545-W675 HydrophobicContact CE2-CH2 4.16Å; F545-W675 AromaticContact CE2-CZ2 3.85Å; F545-W675 HydrophobicContact CE2-CZ2 3.85Å; F545-W675 HydrophobicContact CZ-CZ2 4.21Å; L550-W675 HydrophobicContact CD1-CH2 3.84Å; L550-W675 HydrophobicContact CD1-CZ3 3.61Å; L550-W675 HydrophobicContact CD2-CE3 3.93Å; L550-W675 HydrophobicContact CD2-CH2 3.92Å; L550-W675 HydrophobicContact CD2-CZ3 3.53Å; L550-W675 HydrophobicContact CG-CZ3 4.18Å; G670-W675 WeakPolarHBondContact CA-O 3.37Å; W675-Y677 WeakPolarHBondContact O-CD1 3.44Å; W675-T686 WeakPolarHBondContact CA-OG1 3.48Å
676I93.8Very high90.4Very high2 Ų231 Ų311%0.0116%0.164CC..PPolyproline II helixtrans-79.1127.8-171.7-52.8-58.7000110.9G670 E682 L685 T686 K689G670-I676 CarbonylContact O-C 3.54Å; G670-I676 WeakPolarHBondContact O-CA 3.38Å; I676-E682 WeakPolarHBondContact O-CB 3.47Å; I676-L685 HydrophobicContact CB-CD2 3.91Å; I676-L685 HydrophobicContact CB-CG 3.87Å; I676-L685 HydrophobicContact CG2-CD2 3.49Å; I676-L685 VanDerWaalsContact CG2-CD2 3.49Å; I676-L685 HydrophobicContact CG2-CG 3.78Å; I676-T686 PolarHBondContact N-OG1 2.88Å; I676-K689 HydrophobicContact CD1-CG 4.23Å; I676-K689 HydrophobicContact CG1-CB 4.26Å; I676-K689 HydrophobicContact CG1-CG 4.33Å
677Y90.5Very high90.9Very high32 Ų3221.9 Ų21.913%0.12512%0.124CC..PPolyproline II helixtrans-78.9158.2179.1-60-15.5000111.9H444 A447 N451 E664 G670 W675H444-Y677 HydrophobicContact CB-CD1 3.81Å; H444-Y677 HydrophobicContact CB-CD2 4.29Å; H444-Y677 HydrophobicContact CB-CE1 3.79Å; H444-Y677 HydrophobicContact CB-CE2 4.28Å; H444-Y677 HydrophobicContact CB-CG 4.08Å; H444-Y677 AromaticContact CD2-CD2 3.42Å; H444-Y677 VanDerWaalsContact CD2-CD2 3.42Å; H444-Y677 WeakPolarHBondContact CD2-CD2 3.44Å; H444-Y677 AromaticContact CD2-CE2 3.27Å; H444-Y677 WeakPolarHBondContact CD2-CE2 3.38Å; H444-Y677 AromaticContact CD2-CZ 3.79Å; H444-Y677 AromaticContact CE1-CD2 3.56Å; H444-Y677 AromaticContact CE1-CG 4Å; H444-Y677 AromaticContact CG-CD1 3.92Å; H444-Y677 AromaticContact CG-CD2 3.53Å; H444-Y677 AromaticContact CG-CE2 3.69Å; H444-Y677 AromaticContact CG-CG 3.66Å; H444-Y677 AromaticContact CG-CZ 3.97Å; H444-Y677 AromaticContact ND1-CD2 3.62Å; H444-Y677 AromaticContact ND1-CG 3.64Å; H444-Y677 AromaticContact NE2-CD2 3.46Å; H444-Y677 WeakPolarHBondContact NE2-CD2 3.24Å; H444-Y677 AromaticContact NE2-CE2 3.66Å; A447-Y677 HydrophobicContact CB-CD1 3.68Å; A447-Y677 HydrophobicContact CB-CE1 3.8Å; N451-Y677 WeakPolarHBondContact ND2-CE1 3.41Å; N451-Y677 VanDerWaalsContact ND2-CZ 3.3Å; N451-Y677 PolarHBondContact ND2-OH 3.15Å; E664-Y677 VanDerWaalsContact CD-OH 3.23Å; E664-Y677 PolarHBondContact OE1-OH 3.41Å; E664-Y677 WeakPolarHBondContact OE2-CE2 3.49Å; E664-Y677 PolarHBondContact OE2-OH 2.9Å; G670-Y677 PolarHBondContact O-N 3.46Å; W675-Y677 WeakPolarHBondContact O-CD1 3.44Å
678G79.7Confident91Very high67 Ų6721.8 Ų21.869%0.69112%0.123SC*.SBendtrans109.1-2.3168.400000115.7
679S83.5Confident91Very high17 Ų1719.4 Ų19.412%0.11911%0.112CC..SBendtrans-134151.7170176.70000110.9T681 G728 E731S679-T681 PolarHBondContact O-N 3.13Å; S679-T681 PolarHBondContact OG-N 2.88Å; S679-T681 PolarHBondContact OG-OG1 2.88Å; S679-T681 VanDerWaalsContact OG-OG1 3.06Å; S679-G728 WeakPolarHBondContact OG-CA 3.47Å; S679-G728 PolarHBondContact OG-O 3.43Å; S679-E731 WeakPolarHBondContact CA-OE2 3.42Å
680I82.3Confident90.9Very high25 Ų2519.4 Ų19.413%0.12811%0.112CC..SBendtrans-67.5-20.2168.7-63.2167.7000112R724 L727 E731 F858I680-R724 HydrophobicContact CG2-CB 4.37Å; I680-L727 HydrophobicContact CD1-CD2 3.64Å; I680-L727 HydrophobicContact CD1-CG 4.23Å; I680-E731 PolarHBondContact N-OE2 2.87Å; I680-F858 HydrophobicContact CG2-CD2 4.06Å; I680-F858 HydrophobicContact CG2-CE2 4.14Å
681T86.1Confident91.1Very high5 Ų519.3 Ų19.33%0.03111%0.111CC..  trans-108.263.4174.453.30000109.2S679 D683 G728 I732S679-T681 PolarHBondContact O-N 3.13Å; S679-T681 PolarHBondContact OG-N 2.88Å; S679-T681 PolarHBondContact OG-OG1 2.88Å; S679-T681 VanDerWaalsContact OG-OG1 3.06Å; T681-D683 VanDerWaalsContact C-OD1 3.23Å; T681-D683 WeakPolarHBondContact CA-OD1 3.33Å; T681-D683 WeakPolarHBondContact CB-OD1 3.27Å; T681-D683 PolarHBondContact O-N 3.06Å; T681-G728 VanDerWaalsContact OG1-CA 3.3Å; T681-G728 WeakPolarHBondContact OG1-CA 3.33Å; T681-G728 PolarHBondContact OG1-O 3.24Å; T681-I732 WeakPolarHBondContact OG1-CD1 3.41Å
682E91.1Very high91.2Very high25 Ų2515.4 Ų15.412%0.11710%0.096CC..Hα-helixtrans-62.7-22.1178.872.9-82-17300112.7A447 I676 T686A447-E682 HydrophobicContact CB-CB 4.1Å; A447-E682 HydrophobicContact CB-CG 3.85Å; I676-E682 WeakPolarHBondContact O-CB 3.47Å; E682-T686 VanDerWaalsContact O-CB 3.23Å; E682-T686 WeakPolarHBondContact O-CB 3.26Å; E682-T686 PolarHBondContact O-N 2.89Å; E682-T686 PolarHBondContact O-OG1 3.5Å
683D94.4Very high91.3Very high26 Ų2615.2 Ų15.214%0.1399%0.094CC..Hα-helixtrans-61.1-59.4-179.554.1-8.3000112.2Y538 T681 L685 T686 G687Y538-D683 VanDerWaalsContact CD1-CA 3.44Å; Y538-D683 HydrophobicContact CD1-CB 3.71Å; Y538-D683 WeakPolarHBondContact CD1-O 3.17Å; Y538-D683 HydrophobicContact CE1-CB 3.66Å; Y538-D683 HydrophobicContact CG-CB 4.33Å; T681-D683 VanDerWaalsContact C-OD1 3.23Å; T681-D683 WeakPolarHBondContact CA-OD1 3.33Å; T681-D683 WeakPolarHBondContact CB-OD1 3.27Å; T681-D683 PolarHBondContact O-N 3.06Å; D683-L685 VanDerWaalsContact C-N 3.26Å; D683-L685 PolarHBondContact O-N 3.36Å; D683-T686 PolarHBondContact O-N 3.46Å; D683-G687 PolarHBondContact O-N 3.06Å
684I95.1Very high91.3Very high23 Ų2315.8 Ų15.812%0.11810%0.102CC..Hα-helixtrans-61.4-40.6179.6-66.4171.6000110.1G687 F688 Y757 T760 I761I684-G687 PolarHBondContact O-N 3.39Å; I684-F688 VanDerWaalsContact O-CB 3.29Å; I684-F688 WeakPolarHBondContact O-CB 3.41Å; I684-F688 PolarHBondContact O-N 3.23Å; I684-Y757 HydrophobicContact CG2-CE1 4.46Å; I684-T760 HydrophobicContact CD1-CG2 3.91Å; I684-T760 HydrophobicContact CG2-CG2 4.37Å; I684-I761 HydrophobicContact CG2-CD1 4.1Å
685L93.9Very high91.3Very high4 Ų415.8 Ų15.82%0.02110%0.1CC..Hα-helixtrans-63.1-44.6180-179.157.4000112I676 D683 F688 K689 I732 H737I676-L685 HydrophobicContact CB-CD2 3.91Å; I676-L685 HydrophobicContact CB-CG 3.87Å; I676-L685 HydrophobicContact CG2-CD2 3.49Å; I676-L685 VanDerWaalsContact CG2-CD2 3.49Å; I676-L685 HydrophobicContact CG2-CG 3.78Å; D683-L685 VanDerWaalsContact C-N 3.26Å; D683-L685 PolarHBondContact O-N 3.36Å; L685-F688 PolarHBondContact O-N 3.01Å; L685-K689 WeakPolarHBondContact O-CB 3.22Å; L685-K689 PolarHBondContact O-N 3.37Å; L685-I732 HydrophobicContact CB-CD1 3.97Å; L685-I732 HydrophobicContact CB-CG1 4.31Å; L685-I732 HydrophobicContact CD1-CG2 4.4Å; L685-I732 HydrophobicContact CD2-CG1 4.5Å; L685-H737 HydrophobicContact CD1-CB 3.46Å; L685-H737 VanDerWaalsContact CD1-CB 3.46Å
686T95.7Very high91.3Very high2 Ų219.6 Ų19.61%0.01211%0.114CC..Hα-helixtrans-63.6-47.1178-58.20000110.6W675 I676 E682 D683 F688 K689 M690W675-T686 WeakPolarHBondContact CA-OG1 3.48Å; I676-T686 PolarHBondContact N-OG1 2.88Å; E682-T686 VanDerWaalsContact O-CB 3.23Å; E682-T686 WeakPolarHBondContact O-CB 3.26Å; E682-T686 PolarHBondContact O-N 2.89Å; E682-T686 PolarHBondContact O-OG1 3.5Å; D683-T686 PolarHBondContact O-N 3.46Å; T686-F688 PolarHBondContact O-N 3.19Å; T686-K689 PolarHBondContact O-N 2.8Å; T686-M690 HydrophobicContact CG2-SD 4.33Å; T686-M690 WeakPolarHBondContact O-CG 3.33Å; T686-M690 PolarHBondContact O-N 3.41Å; T686-M690 VanDerWaalsContact O-N 3.08Å
687G95.7Very high91.5Very high0 Ų019.5 Ų19.50%011%0.114CC..Hα-helixtrans-59.9-45.7176.100000112.8D683 I684 K689 M690 H691D683-G687 PolarHBondContact O-N 3.06Å; I684-G687 PolarHBondContact O-N 3.39Å; G687-K689 VanDerWaalsContact C-N 3.33Å; G687-K689 PolarHBondContact O-N 3.4Å; G687-M690 PolarHBondContact O-N 3.42Å; G687-H691 PolarHBondContact O-N 3.32Å
688F95.1Very high91.8Very high3 Ų318 Ų181%0.01311%0.108CC..Hα-helixtrans-57.4-45.5176.7171.1-121.1000112.1I684 L685 T686 M690 H691 C692 H737 P739 Y742 L749 Y757I684-F688 VanDerWaalsContact O-CB 3.29Å; I684-F688 WeakPolarHBondContact O-CB 3.41Å; I684-F688 PolarHBondContact O-N 3.23Å; L685-F688 PolarHBondContact O-N 3.01Å; T686-F688 PolarHBondContact O-N 3.19Å; F688-M690 PolarHBondContact O-N 3.02Å; F688-H691 PolarHBondContact O-N 3.03Å; F688-C692 WeakPolarHBondContact CE2-SG 3.35Å; F688-C692 WeakPolarHBondContact CZ-SG 3.39Å; F688-C692 PolarHBondContact O-N 2.65Å; F688-C692 PolarHBondContact O-SG 3.5Å; F688-H737 VanDerWaalsContact CE1-O 3.29Å; F688-H737 WeakPolarHBondContact CE1-O 3.4Å; F688-P739 HydrophobicContact CE1-CG 4.25Å; F688-P739 HydrophobicContact CE2-CB 4.1Å; F688-P739 HydrophobicContact CE2-CG 4.22Å; F688-P739 HydrophobicContact CZ-CB 3.97Å; F688-P739 HydrophobicContact CZ-CG 4.01Å; F688-Y742 AromaticContact CE1-CD1 3.5Å; F688-Y742 HydrophobicContact CE1-CD1 3.5Å; F688-Y742 VanDerWaalsContact CE1-CD1 3.5Å; F688-Y742 HydrophobicContact CE1-CE1 4.25Å; F688-Y742 HydrophobicContact CE1-CG 4.28Å; F688-Y742 AromaticContact CZ-CD1 3.82Å; F688-Y742 HydrophobicContact CZ-CD1 3.82Å; F688-L749 HydrophobicContact CD2-CD2 4.44Å; F688-L749 HydrophobicContact CE2-CD2 3.77Å; F688-Y757 WeakPolarHBondContact CA-OH 3.35Å; F688-Y757 HydrophobicContact CB-CD1 3.97Å; F688-Y757 HydrophobicContact CB-CE1 3.6Å; F688-Y757 AromaticContact CD2-CD1 3.88Å; F688-Y757 HydrophobicContact CD2-CD1 3.88Å; F688-Y757 AromaticContact CD2-CD2 3.62Å; F688-Y757 HydrophobicContact CD2-CD2 3.62Å; F688-Y757 HydrophobicContact CD2-CE1 4.11Å; F688-Y757 AromaticContact CD2-CE2 3.85Å; F688-Y757 HydrophobicContact CD2-CE2 3.85Å; F688-Y757 AromaticContact CD2-CG 3.63Å; F688-Y757 HydrophobicContact CD2-CG 3.63Å; F688-Y757 HydrophobicContact CE2-CD2 4.21Å; F688-Y757 HydrophobicContact CE2-CG 4.25Å; F688-Y757 HydrophobicContact CG-CD1 4.23Å; F688-Y757 HydrophobicContact CG-CE1 4.29Å; F688-Y757 HydrophobicContact CG-CG 4.43Å; F688-Y757 PolarHBondContact N-OH 2.94Å
689K92.5Very high92.7Very high19 Ų1915 Ų158%0.0838%0.076CC..Hα-helixtrans-63-41.6179.3179.755.6168.8159.50111.9E672 I676 L685 T686 G687 C692 R693 Y742E672-K689 WeakPolarHBondContact OE2-CE 3.36Å; E672-K689 IonicContact OE2-NZ 3.91Å; E672-K689 PolarHBondContact OE2-NZ 3.31Å; I676-K689 HydrophobicContact CD1-CG 4.23Å; I676-K689 HydrophobicContact CG1-CB 4.26Å; I676-K689 HydrophobicContact CG1-CG 4.33Å; L685-K689 WeakPolarHBondContact O-CB 3.22Å; L685-K689 PolarHBondContact O-N 3.37Å; T686-K689 PolarHBondContact O-N 2.8Å; G687-K689 VanDerWaalsContact C-N 3.33Å; G687-K689 PolarHBondContact O-N 3.4Å; K689-C692 PolarHBondContact O-N 2.87Å; K689-R693 VanDerWaalsContact CE-NH2 3.33Å; K689-R693 PolarHBondContact O-N 2.95Å; K689-Y742 HydrophobicContact CD-CE1 4.02Å; K689-Y742 VanDerWaalsContact CD-OH 3.32Å; K689-Y742 WeakPolarHBondContact CD-OH 3.3Å; K689-Y742 VanDerWaalsContact CE-OH 3.23Å; K689-Y742 WeakPolarHBondContact CE-OH 3.4Å; K689-Y742 PolarHBondContact NZ-OH 3.02Å
690M92.6Very high93.3Very high3 Ų314.4 Ų14.42%0.0157%0.072CC..Hα-helixtrans-64.4-44.1175.7-64.1173.287.100111.8C498 F499 F545 A549 L550 T686 G687 F688 C692 R693 W695C498-M690 HydrophobicContact CB-CE 3.63Å; F499-M690 HydrophobicContact CD1-CE 4.49Å; F499-M690 HydrophobicContact CD1-SD 4.22Å; F499-M690 HydrophobicContact CE1-SD 4.42Å; F545-M690 HydrophobicContact CD1-CE 4.13Å; F545-M690 HydrophobicContact CD1-SD 4.19Å; F545-M690 HydrophobicContact CE1-SD 4.08Å; A549-M690 HydrophobicContact CB-CE 3.33Å; L550-M690 HydrophobicContact CD2-CE 4.46Å; L550-M690 HydrophobicContact CD2-SD 4.44Å; T686-M690 HydrophobicContact CG2-SD 4.33Å; T686-M690 WeakPolarHBondContact O-CG 3.33Å; T686-M690 PolarHBondContact O-N 3.41Å; T686-M690 VanDerWaalsContact O-N 3.08Å; G687-M690 PolarHBondContact O-N 3.42Å; F688-M690 PolarHBondContact O-N 3.02Å; M690-C692 VanDerWaalsContact C-N 3.32Å; M690-C692 PolarHBondContact O-N 2.92Å; M690-R693 WeakPolarHBondContact O-CB 3.49Å; M690-R693 PolarHBondContact O-N 3.33Å; M690-R693 VanDerWaalsContact O-N 3.09Å; M690-W695 WeakPolarHBondContact O-CB 3.23Å; M690-W695 PolarHBondContact O-N 2.96Å
691H94.6Very high93.9Very high0 Ų016.1 Ų16.10%08%0.08CC..Hα-helixtrans-63.3-36.5175.8-75-172.8000112.5F499 Q534 P536 G687 F688 R693 G694 S697 L749 Q753 Y757F499-H691 AromaticContact CZ-NE2 3.9Å; Q534-H691 PolarHBondContact NE2-O 3.16Å; Q534-H691 VanDerWaalsContact NE2-O 3.15Å; P536-H691 PolarHBondContact O-CE1 2.89Å; G687-H691 PolarHBondContact O-N 3.32Å; F688-H691 PolarHBondContact O-N 3.03Å; H691-R693 PolarHBondContact O-N 3.03Å; H691-G694 PolarHBondContact O-N 3.49Å; H691-S697 PolarHBondContact CE1-OG 2.92Å; H691-S697 PolarHBondContact NE2-OG 3.33Å; H691-L749 HydrophobicContact CB-CD1 3.79Å; H691-Q753 PolarHBondContact CE1-NE2 2.89Å; H691-Q753 PolarHBondContact ND1-NE2 3.36Å; H691-Y757 HydrophobicContact CB-CE2 4.27Å; H691-Y757 PolarHBondContact CE1-OH 3.19Å; H691-Y757 AromaticContact ND1-CE2 3.64Å; H691-Y757 AromaticContact ND1-CZ 3.71Å; H691-Y757 PolarHBondContact ND1-OH 2.67Å
692C91.5Very high94.2Very high18 Ų1816.8 Ų16.812%0.1228%0.084CC..Hα-helixtrans-61.7-26.6174-72.50000113.2F688 K689 M690 G694F688-C692 WeakPolarHBondContact CE2-SG 3.35Å; F688-C692 WeakPolarHBondContact CZ-SG 3.39Å; F688-C692 PolarHBondContact O-N 2.65Å; F688-C692 PolarHBondContact O-SG 3.5Å; K689-C692 PolarHBondContact O-N 2.87Å; M690-C692 VanDerWaalsContact C-N 3.32Å; M690-C692 PolarHBondContact O-N 2.92Å; C692-G694 PolarHBondContact O-N 3.31Å
693R88.5Confident94.2Very high36 Ų3624.6 Ų24.614%0.13613%0.126CC..THydrogen-bonded Turntrans-75.7-10.4174.2-69.8177.9169117.63.3113.3G552 E672 K689 M690 H691 R748G552-R693 PolarHBondContact O-NE 3Å; E672-R693 PolarHBondContact O-NH1 3.38Å; E672-R693 PolarHBondContact O-NH2 2.75Å; E672-R693 IonicContact OE2-NH2 3.53Å; K689-R693 VanDerWaalsContact CE-NH2 3.33Å; K689-R693 PolarHBondContact O-N 2.95Å; M690-R693 WeakPolarHBondContact O-CB 3.49Å; M690-R693 PolarHBondContact O-N 3.33Å; M690-R693 VanDerWaalsContact O-N 3.09Å; H691-R693 PolarHBondContact O-N 3.03Å; R693-R748 WeakPolarHBondContact O-CD 3.43Å; R693-R748 PolarHBondContact O-NH1 3.24Å
694G90.3Very high94.1Very high20 Ų2027.2 Ų27.221%0.20613%0.134CC..THydrogen-bonded Turntrans102.73.6-179.200000114.5H691 C692H691-G694 PolarHBondContact O-N 3.49Å; C692-G694 PolarHBondContact O-N 3.31Å
695W93.6Very high94.1Very high4 Ų427.6 Ų27.62%0.01514%0.138CC..  trans-67.7152.5174.1-69.7105.1000112.1Q495 C498 Q534 A549 Y553 S554 P555 M690Q495-W695 WeakPolarHBondContact O-CZ3 3.49Å; C498-W695 HydrophobicContact CB-CB 3.55Å; C498-W695 HydrophobicContact CB-CD2 3.74Å; C498-W695 HydrophobicContact CB-CE3 3.79Å; C498-W695 HydrophobicContact CB-CG 3.66Å; C498-W695 VanDerWaalsContact SG-CB 3.53Å; Q534-W695 PolarHBondContact NE2-O 3.34Å; A549-W695 HydrophobicContact CB-CD2 4.01Å; A549-W695 HydrophobicContact CB-CE3 4.47Å; A549-W695 HydrophobicContact CB-CG 4.48Å; A549-W695 HydrophobicContact CB-CH2 4.26Å; A549-W695 HydrophobicContact CB-CZ2 3.74Å; Y553-W695 PolarHBondContact O-NE1 3.4Å; S554-W695 VanDerWaalsContact C-CZ2 3.46Å; S554-W695 WeakPolarHBondContact O-CZ2 3.33Å; P555-W695 HydrophobicContact CB-CD2 4.05Å; P555-W695 HydrophobicContact CB-CE3 3.88Å; P555-W695 HydrophobicContact CB-CH2 4.21Å; P555-W695 HydrophobicContact CB-CZ2 4.38Å; P555-W695 HydrophobicContact CB-CZ3 3.95Å; P555-W695 HydrophobicContact CG-CD2 4.45Å; M690-W695 WeakPolarHBondContact O-CB 3.23Å; M690-W695 PolarHBondContact O-N 2.96Å
696R96.1Very high94.2Very high80 Ų8027.4 Ų27.430%0.30214%0.137SC..EExtended strand (participates in β ladder)trans-108.2143.4171.7178.2172.366.7-175.8-1.8109.5V493 D496 V497 C498 Q534V493-R696 PolarHBondContact O-NH2 3.15Å; D496-R696 WeakPolarHBondContact O-CB 3.48Å; D496-R696 PolarHBondContact O-N 2.93Å; V497-R696 CarbonylContact C-O 3.53Å; V497-R696 VanDerWaalsContact CA-O 3.26Å; V497-R696 WeakPolarHBondContact CA-O 3.46Å; C498-R696 PolarHBondContact N-O 3.24Å; C498-R696 PolarHBondContact SG-O 3.44Å; Q534-R696 WeakPolarHBondContact O-CA 3.43Å; Q534-R696 WeakPolarHBondContact O-CG 3.41Å
697S98.1Very high94.2Very high0 Ų027.4 Ų27.40%014%0.137CC..EExtended strand (participates in β ladder)trans-109.1163.7166.252.30000110.9F499 Q534 G535 P536 H691F499-S697 VanDerWaalsContact O-CA 3.28Å; F499-S697 WeakPolarHBondContact O-CA 3.45Å; F499-S697 WeakPolarHBondContact O-CB 3.28Å; Q534-S697 PolarHBondContact O-N 3.02Å; G535-S697 WeakPolarHBondContact CA-O 3.47Å; G535-S697 VanDerWaalsContact CA-OG 3.23Å; G535-S697 WeakPolarHBondContact CA-OG 3.41Å; P536-S697 WeakPolarHBondContact CD-OG 2.9Å; P536-S697 PolarHBondContact O-OG 3.45Å; H691-S697 PolarHBondContact CE1-OG 2.92Å; H691-S697 PolarHBondContact NE2-OG 3.33Å
698I97.8Very high94.1Very high0 Ų029.8 Ų29.80%015%0.147CC..EExtended strand (participates in β ladder)trans-123.7140.4178.4-74.9177.5000109.8F487 V493 V497 F499 V500 Q501F487-I698 HydrophobicContact CB-CD1 3.9Å; F487-I698 HydrophobicContact CD1-CD1 3.9Å; F487-I698 HydrophobicContact CD1-CG2 4.06Å; F487-I698 HydrophobicContact CD2-CG2 4.12Å; F487-I698 HydrophobicContact CE1-CG2 4.14Å; F487-I698 HydrophobicContact CE2-CG2 4.2Å; F487-I698 HydrophobicContact CG-CD1 4.06Å; F487-I698 HydrophobicContact CG-CG2 4.04Å; F487-I698 HydrophobicContact CZ-CG2 4.2Å; V493-I698 HydrophobicContact CG1-CD1 3.74Å; V497-I698 HydrophobicContact CG1-CD1 4.18Å; V497-I698 HydrophobicContact CG1-CG1 4.28Å; V497-I698 HydrophobicContact CG2-CD1 3.51Å; V497-I698 HydrophobicContact CG2-CG1 4.07Å; F499-I698 PolarHBondContact O-N 3.38Å; V500-I698 CarbonylContact C-O 3.26Å; V500-I698 WeakPolarHBondContact CA-O 3.23Å; V500-I698 HydrophobicContact CG1-CG2 4.42Å; V500-I698 HydrophobicContact CG2-CB 4.38Å; Q501-I698 PolarHBondContact N-O 3.14Å
699Y97.7Very high93.9Very high5 Ų529.7 Ų29.72%0.0215%0.147CC..EExtended strand (participates in β ladder)trans-98.9119.5170.4-161.9-127.1000111.2Q501 P503 F523 M527 R528 D531 P536 M701Q501-Y699 HydrophobicContact CB-CD2 4.19Å; Q501-Y699 HydrophobicContact CG-CD2 4.16Å; Q501-Y699 HydrophobicContact CG-CE2 4.21Å; Q501-Y699 VanDerWaalsContact O-CD2 3.31Å; Q501-Y699 WeakPolarHBondContact O-CD2 3.28Å; P503-Y699 WeakPolarHBondContact CA-OH 3.32Å; P503-Y699 VanDerWaalsContact CB-OH 3.32Å; P503-Y699 WeakPolarHBondContact CB-OH 3.44Å; F523-Y699 WeakPolarHBondContact CB-OH 3.5Å; F523-Y699 VanDerWaalsContact O-CE1 3.25Å; F523-Y699 WeakPolarHBondContact O-CE1 3.29Å; F523-Y699 PolarHBondContact O-OH 3.34Å; M527-Y699 HydrophobicContact CB-CD1 3.88Å; M527-Y699 HydrophobicContact CB-CD2 4.03Å; M527-Y699 HydrophobicContact CB-CE1 3.6Å; M527-Y699 HydrophobicContact CB-CE2 3.79Å; M527-Y699 HydrophobicContact CB-CG 4.09Å; M527-Y699 HydrophobicContact CG-CE2 4.02Å; R528-Y699 HydrophobicContact CG-CD1 4.12Å; R528-Y699 HydrophobicContact CG-CE1 4.22Å; D531-Y699 PolarHBondContact OD1-N 3.27Å; P536-Y699 HydrophobicContact CB-CD2 3.96Å; P536-Y699 HydrophobicContact CB-CG 4.37Å; P536-Y699 HydrophobicContact CG-CD2 3.95Å; P536-Y699 HydrophobicContact CG-CG 4.27Å; Y699-M701 HydrophobicContact CD1-CG 3.84Å; Y699-M701 HydrophobicContact CD1-SD 4.15Å; Y699-M701 HydrophobicContact CE1-CG 3.44Å; Y699-M701 VanDerWaalsContact CE1-CG 3.44Å; Y699-M701 HydrophobicContact CE1-SD 3.49Å; Y699-M701 WeakPolarHBondContact CE1-SD 3.38Å
700C96.4Very high93.4Very high4 Ų429.3 Ų29.33%0.02715%0.147CC..  trans-111.8124.1178.3-174.90000110.5F487 V500 Q501 F502 P503F487-C700 HydrophobicContact CE2-CB 3.83Å; V500-C700 HydrophobicContact CG1-CB 3.72Å; Q501-C700 PolarHBondContact O-N 3.17Å; F502-C700 HydrophobicContact CD1-CB 3.98Å; F502-C700 WeakPolarHBondContact CD1-O 3.25Å; F502-C700 HydrophobicContact CE1-CB 3.67Å; F502-C700 VanDerWaalsContact CE1-SG 3.55Å; F502-C700 HydrophobicContact CZ-CB 4.08Å; P503-C700 WeakPolarHBondContact CD-O 3.34Å
701M95Very high92.9Very high62 Ų6229.6 Ų29.631%0.30515%0.149SC..  trans-122.288176.8-64.5-169.8-50.600110.1P503 R528 Y699P503-M701 HydrophobicContact CG-CG 4.22Å; R528-M701 HydrophobicContact CG-CE 3.93Å; R528-M701 HydrophobicContact CG-SD 4.21Å; Y699-M701 HydrophobicContact CD1-CG 3.84Å; Y699-M701 HydrophobicContact CD1-SD 4.15Å; Y699-M701 HydrophobicContact CE1-CG 3.44Å; Y699-M701 VanDerWaalsContact CE1-CG 3.44Å; Y699-M701 HydrophobicContact CE1-SD 3.49Å; Y699-M701 WeakPolarHBondContact CE1-SD 3.38Å
702P92.9Very high91.9Very high19 Ų1929.8 Ų29.812%0.12315%0.15CC..  trans-65.8158.5174.7-9.621.2000111.5E483 F502 R704 A706E483-P702 WeakPolarHBondContact OE1-CB 3.23Å; E483-P702 WeakPolarHBondContact OE2-CB 3.45Å; E483-P702 WeakPolarHBondContact OE2-CG 3.12Å; F502-P702 HydrophobicContact CD1-CG 3.97Å; F502-P702 HydrophobicContact CE1-CG 3.76Å; P702-R704 VanDerWaalsContact C-N 3.28Å; P702-R704 WeakPolarHBondContact CB-O 3.38Å; P702-R704 PolarHBondContact O-N 2.84Å; P702-A706 HydrophobicContact CG-CB 4.2Å
703L90.8Very high91Very high189 Ų18930.4 Ų30.499%0.9915%0.152SC*.SBendtrans-56.5-43.4176.5-168.881.3000112
704R91.8Very high90.4Very high80 Ų8029.2 Ų29.230%0.30215%0.149SC..SBendtrans-94.9125.9170.2-177.3-179.9-173.2130.99.5108.3E334 P335 N476 N477 P702 A706E334-R704 VanDerWaalsContact CB-CZ 3.41Å; E334-R704 WeakPolarHBondContact OE2-CD 3.18Å; E334-R704 IonicContact OE2-CZ 2.77Å; E334-R704 VanDerWaalsContact OE2-CZ 3.26Å; E334-R704 IonicContact OE2-NE 3.8Å; E334-R704 PolarHBondContact OE2-NE 2.69Å; E334-R704 IonicContact OE2-NH1 3.47Å; E334-R704 PolarHBondContact OE2-NH1 2.72Å; P335-R704 VanDerWaalsContact N-NH2 3.17Å; N476-R704 PolarHBondContact ND2-NE 2.94Å; N476-R704 PolarHBondContact O-NE 2.97Å; N476-R704 PolarHBondContact OD1-NE 3.3Å; N476-R704 VanDerWaalsContact OD1-NE 3.11Å; N476-R704 PolarHBondContact OD1-NH2 3.21Å; N477-R704 HydrophobicContact CB-CB 4.25Å; N477-R704 HydrophobicContact CB-CG 4.09Å; P702-R704 VanDerWaalsContact C-N 3.28Å; P702-R704 WeakPolarHBondContact CB-O 3.38Å; P702-R704 PolarHBondContact O-N 2.84Å; R704-A706 PolarHBondContact O-N 3.18Å; R704-A706 VanDerWaalsContact O-N 3.15Å
705P94.9Very high89.9Confident31 Ų3128.3 Ų28.320%0.20114%0.139CC..  trans-48.5125.4176.6-3036000111.8N476 R505 K708N476-P705 WeakPolarHBondContact CB-O 3.39Å; N476-P705 PolarHBondContact ND2-O 3.47Å; R505-P705 HydrophobicContact CB-CB 4.04Å; R505-P705 HydrophobicContact CB-CG 4.4Å; R505-P705 HydrophobicContact CG-CB 3.8Å; R505-P705 HydrophobicContact CG-CG 4.02Å; P705-K708 HydrophobicContact CB-CG 4.27Å
706A95.7Very high89.3Confident0 Ų028.2 Ų28.20%014%0.139CC..SBendtrans-59.5-51.9-177.900000111.4N476 N477 A480 F502 P702 R704N476-A706 PolarHBondContact N-O 2.81Å; N477-A706 PolarHBondContact N-O 3.49Å; N477-A706 VanDerWaalsContact N-O 3.14Å; A480-A706 HydrophobicContact CB-CB 3.71Å; F502-A706 HydrophobicContact CB-CB 4.13Å; F502-A706 HydrophobicContact CD1-CB 3.37Å; F502-A706 HydrophobicContact CE1-CB 3.84Å; F502-A706 HydrophobicContact CG-CB 3.8Å; P702-A706 HydrophobicContact CG-CB 4.2Å; R704-A706 PolarHBondContact O-N 3.18Å; R704-A706 VanDerWaalsContact O-N 3.15Å
707F96.1Very high88.7Confident3 Ų325.2 Ų25.21%0.01313%0.129CC..EExtended strand (participates in β ladder)trans-121.9142.2-178.5-53.8-73.8000109.8L467 L469 Y474 V475 A480 F502L467-F707 HydrophobicContact CD1-CE1 4.49Å; L467-F707 HydrophobicContact CD1-CZ 3.76Å; L467-F707 HydrophobicContact CD2-CE1 4.27Å; L467-F707 HydrophobicContact CD2-CZ 3.98Å; L467-F707 HydrophobicContact CG-CZ 4.43Å; L469-F707 HydrophobicContact CD1-CD1 4.01Å; L469-F707 HydrophobicContact CD1-CE1 3.82Å; L469-F707 HydrophobicContact CD2-CB 4.33Å; L469-F707 HydrophobicContact CD2-CD1 3.46Å; L469-F707 VanDerWaalsContact CD2-CD1 3.46Å; L469-F707 HydrophobicContact CD2-CD2 4.38Å; L469-F707 HydrophobicContact CD2-CE1 3.8Å; L469-F707 HydrophobicContact CD2-CG 3.78Å; L469-F707 HydrophobicContact CD2-CZ 4.4Å; L469-F707 HydrophobicContact CG-CD1 4.35Å; L469-F707 HydrophobicContact CG-CE1 4.3Å; Y474-F707 WeakPolarHBondContact O-CA 3.49Å; V475-F707 HydrophobicContact CG2-CD1 4.34Å; V475-F707 HydrophobicContact CG2-CE1 4Å; A480-F707 HydrophobicContact CB-CZ 4.22Å; F502-F707 HydrophobicContact CB-CD2 3.93Å; F502-F707 HydrophobicContact CB-CE2 4.1Å; F502-F707 HydrophobicContact CD2-CD2 4.38Å; F502-F707 AromaticContact CD2-CE2 3.69Å; F502-F707 HydrophobicContact CD2-CE2 3.69Å; F502-F707 HydrophobicContact CE2-CE2 4.27Å; F502-F707 HydrophobicContact CG-CD2 4.22Å; F502-F707 AromaticContact CG-CE2 3.93Å; F502-F707 HydrophobicContact CG-CE2 3.93Å
708K94.6Very high88.1Confident50 Ų5025.7 Ų25.722%0.21713%0.131CC..EExtended strand (participates in β ladder)trans-130.4144.3172.5-81.9-176.7159.8-155.10109.6H473 Y474 N476 R505 D507 P705H473-K708 CarbonylContact C-O 3.58Å; H473-K708 WeakPolarHBondContact CA-O 3.38Å; Y474-K708 HydrophobicContact CD1-CB 4.43Å; Y474-K708 WeakPolarHBondContact CD1-O 3.49Å; Y474-K708 HydrophobicContact CE1-CB 3.71Å; Y474-K708 WeakPolarHBondContact CE1-O 3.36Å; Y474-K708 HydrophobicContact CE2-CB 4.2Å; Y474-K708 PolarHBondContact N-O 3.37Å; Y474-K708 PolarHBondContact O-N 3.24Å; Y474-K708 WeakPolarHBondContact OH-CD 3.28Å; N476-K708 HydrophobicContact CB-CB 4.16Å; N476-K708 HydrophobicContact CB-CD 4.09Å; N476-K708 HydrophobicContact CB-CG 4.01Å; R505-K708 HydrophobicContact CB-CG 4.25Å; R505-K708 CarbonylContact O-C 3.58Å; R505-K708 VanDerWaalsContact O-CA 3.22Å; R505-K708 WeakPolarHBondContact O-CA 3.46Å; D507-K708 WeakPolarHBondContact OD1-CD 3.31Å; D507-K708 WeakPolarHBondContact OD1-CE 3.08Å; D507-K708 IonicContact OD1-NZ 3.7Å; D507-K708 PolarHBondContact OD1-NZ 3.28Å; P705-K708 HydrophobicContact CB-CG 4.27Å
709G90.9Very high87.7Confident0 Ų025.7 Ų25.70%013%0.131CC..EExtended strand (participates in β ladder)trans-139.3-169.3173.900000114D472 R505 F506 D507D472-G709 WeakPolarHBondContact O-CA 3.14Å; R505-G709 PolarHBondContact O-N 3.42Å; F506-G709 CarbonylContact C-O 3.54Å; F506-G709 WeakPolarHBondContact CA-O 3.4Å; D507-G709 PolarHBondContact N-O 3.11Å
710S82.3Confident87.2Confident12 Ų1228.3 Ų28.38%0.08414%0.143CC..EExtended strand (participates in β ladder)trans-98.2129.3179.7-64.30000111D472D472-S710 PolarHBondContact O-N 3.3Å
711A81Confident86.8Confident8 Ų828.9 Ų28.97%0.06615%0.145CC..PPolyproline II helixtrans-87.3151.9174.400000111.7F506 I509 N517 I713F506-A711 HydrophobicContact CB-CB 3.74Å; F506-A711 HydrophobicContact CD1-CB 4.18Å; F506-A711 HydrophobicContact CD2-CB 4.41Å; F506-A711 HydrophobicContact CG-CB 3.87Å; I509-A711 HydrophobicContact CD1-CB 4.3Å; I509-A711 HydrophobicContact CG1-CB 4.1Å; N517-A711 HydrophobicContact CB-CB 4.02Å; A711-I713 PolarHBondContact O-N 3.44Å
712P74.8Confident86.7Confident4 Ų426.3 Ų26.33%0.02613%0.133CC..PPolyproline II helixtrans-57.9128.4168.4-20.731.9000111.1N517 D717 R718N517-P712 PolarHBondContact ND2-O 3.27Å; P712-D717 HydrophobicContact CB-CB 4.23Å; P712-R718 HydrophobicContact CB-CB 4.25Å
713I71.8Confident86.7Confident31 Ų3126.4 Ų26.416%0.15913%0.132CC..  trans-83.1-36-170.2-57.2179.3000111.3A711 T864 A865 E872 L873A711-I713 PolarHBondContact O-N 3.44Å; I713-T864 VanDerWaalsContact CD1-O 3.23Å; I713-T864 WeakPolarHBondContact CD1-O 3.33Å; I713-A865 HydrophobicContact CD1-CB 3.93Å; I713-E872 HydrophobicContact CG2-CB 4.06Å; I713-L873 HydrophobicContact CG2-CB 4.38Å; I713-L873 HydrophobicContact CG2-CD1 3.82Å; I713-L873 HydrophobicContact CG2-CG 3.58Å; I713-L873 WeakPolarHBondContact O-CD2 3.3Å; I713-L873 VanDerWaalsContact O-CG 3.31Å; I713-L873 WeakPolarHBondContact O-CG 3.36Å
714N76.5Confident86.6Confident12 Ų1219.9 Ų19.96%0.0649%0.094CC..SBendtrans-107.4159.8-178.269.170.8000113.4S716 D717 R718 I875N714-S716 PolarHBondContact O-N 3.06Å; N714-S716 PolarHBondContact OD1-N 3.46Å; N714-D717 PolarHBondContact ND2-OD2 3.02Å; N714-D717 WeakPolarHBondContact OD1-CB 3.39Å; N714-D717 VanDerWaalsContact OD1-CG 3.29Å; N714-D717 PolarHBondContact OD1-N 3.36Å; N714-D717 PolarHBondContact OD1-OD2 3.18Å; N714-R718 WeakPolarHBondContact O-CB 3.33Å; N714-R718 PolarHBondContact O-N 2.86Å; N714-I875 WeakPolarHBondContact CB-O 3.47Å
715L80Confident86.7Confident1 Ų120.2 Ų20.21%0.00510%0.096CC..Hα-helixtrans-62.6-40.1-178-17959.4000113.1Y515 R718 L719 F830 F931Y515-L715 HydrophobicContact CD1-CB 4.47Å; Y515-L715 HydrophobicContact CD1-CD1 3.84Å; Y515-L715 HydrophobicContact CE1-CB 3.86Å; Y515-L715 HydrophobicContact CE1-CD1 3.84Å; Y515-L715 HydrophobicContact CE1-CD2 4.27Å; Y515-L715 HydrophobicContact CE1-CG 4.2Å; Y515-L715 HydrophobicContact CE2-CB 4.02Å; Y515-L715 HydrophobicContact CG-CD1 4.44Å; L715-R718 PolarHBondContact O-N 2.9Å; L715-L719 HydrophobicContact CD1-CD1 4.17Å; L715-L719 HydrophobicContact CD1-CG 4Å; L715-L719 HydrophobicContact CG-CD1 3.99Å; L715-L719 HydrophobicContact CG-CG 4.24Å; L715-L719 WeakPolarHBondContact O-CB 3.44Å; L715-L719 WeakPolarHBondContact O-CG 3.23Å; L715-L719 PolarHBondContact O-N 3.23Å; L715-F830 HydrophobicContact CD1-CE2 4.29Å; L715-F931 HydrophobicContact CD2-CD2 3.88Å; L715-F931 HydrophobicContact CD2-CE2 4.39Å
716S80.9Confident86.7Confident1 Ų118.7 Ų18.71%0.0079%0.086CC..Hα-helixtrans-64-45.5-174.6-55.70000110.7N714 L719 H720 K877N714-S716 PolarHBondContact O-N 3.06Å; N714-S716 PolarHBondContact OD1-N 3.46Å; S716-L719 PolarHBondContact O-N 2.8Å; S716-H720 PolarHBondContact O-CD2 3.43Å; S716-H720 PolarHBondContact O-N 3.3Å; S716-K877 PolarHBondContact OG-N 2.75Å; S716-K877 VanDerWaalsContact OG-N 3.09Å; S716-K877 PolarHBondContact OG-O 3.36Å
717D81.9Confident86.5Confident17 Ų1719.1 Ų19.19%0.0919%0.088CC..Hα-helixtrans-66.4-40.8177.8-70-13.5000111P712 N714 L719 H720 Q721 T861 K877P712-D717 HydrophobicContact CB-CB 4.23Å; N714-D717 PolarHBondContact ND2-OD2 3.02Å; N714-D717 WeakPolarHBondContact OD1-CB 3.39Å; N714-D717 VanDerWaalsContact OD1-CG 3.29Å; N714-D717 PolarHBondContact OD1-N 3.36Å; N714-D717 PolarHBondContact OD1-OD2 3.18Å; D717-L719 PolarHBondContact O-N 3.07Å; D717-H720 PolarHBondContact O-N 3.07Å; D717-Q721 PolarHBondContact O-N 3.43Å; D717-T861 HydrophobicContact CB-CG2 3.58Å; D717-K877 IonicContact OD1-NZ 3.95Å; D717-K877 IonicContact OD2-NZ 3.73Å
718R86.4Confident86.2Confident11 Ų1119 Ų194%0.0429%0.088CC..Hα-helixtrans-61.9-41.8173.6-179.654.1174.7159.60.8112.3N517 P712 N714 L715 Q721 V722 W725 F830N517-R718 WeakPolarHBondContact OD1-CD 3.33Å; N517-R718 PolarHBondContact OD1-NE 2.99Å; P712-R718 HydrophobicContact CB-CB 4.25Å; N714-R718 WeakPolarHBondContact O-CB 3.33Å; N714-R718 PolarHBondContact O-N 2.86Å; L715-R718 PolarHBondContact O-N 2.9Å; R718-Q721 WeakPolarHBondContact O-CB 3.31Å; R718-Q721 PolarHBondContact O-N 2.59Å; R718-V722 WeakPolarHBondContact O-CG2 3.34Å; R718-V722 PolarHBondContact O-N 2.87Å; R718-W725 VanDerWaalsContact NH1-CZ3 3.25Å; R718-F830 HydrophobicContact CG-CE1 4.46Å; R718-F830 HydrophobicContact CG-CE2 3.92Å; R718-F830 HydrophobicContact CG-CZ 3.56Å
719L89.5Confident86.3Confident0 Ų016.7 Ų16.70%08%0.078CC..Hα-helixtrans-66.4-38.9175.8-75.9177.5000112.4L715 S716 D717 Q721 V722 L723 I833 S837 A838 L881 L882L715-L719 HydrophobicContact CD1-CD1 4.17Å; L715-L719 HydrophobicContact CD1-CG 4Å; L715-L719 HydrophobicContact CG-CD1 3.99Å; L715-L719 HydrophobicContact CG-CG 4.24Å; L715-L719 WeakPolarHBondContact O-CB 3.44Å; L715-L719 WeakPolarHBondContact O-CG 3.23Å; L715-L719 PolarHBondContact O-N 3.23Å; S716-L719 PolarHBondContact O-N 2.8Å; D717-L719 PolarHBondContact O-N 3.07Å; L719-Q721 VanDerWaalsContact C-N 3.32Å; L719-V722 PolarHBondContact O-N 2.74Å; L719-L723 VanDerWaalsContact O-CB 3.29Å; L719-L723 WeakPolarHBondContact O-CB 3.33Å; L719-L723 PolarHBondContact O-N 3.44Å; L719-I833 HydrophobicContact CD2-CG2 4.28Å; L719-S837 WeakPolarHBondContact CD2-OG 3.47Å; L719-A838 HydrophobicContact CD2-CB 4.41Å; L719-L881 HydrophobicContact CB-CD1 4.12Å; L719-L882 HydrophobicContact CD1-CD2 3.55Å
720H87.4Confident86.4Confident60 Ų6016.7 Ų16.728%0.2788%0.078SC..Hα-helixtrans-64.5-36.5173.2-83.9-67.3000112.4S716 D717 L723 R724S716-H720 PolarHBondContact O-CD2 3.43Å; S716-H720 PolarHBondContact O-N 3.3Å; D717-H720 PolarHBondContact O-N 3.07Å; H720-L723 PolarHBondContact O-N 3.24Å; H720-R724 WeakPolarHBondContact O-CG 3.17Å; H720-R724 PolarHBondContact O-N 2.98Å; H720-R724 VanDerWaalsContact O-N 3.12Å
721Q88.4Confident86.8Confident16 Ų1617 Ų178%0.0758%0.078CC..Hα-helixtrans-62.4-49.4173-176.1-176.849.300111.3D717 R718 L719 L723 R724 W725D717-Q721 PolarHBondContact O-N 3.43Å; R718-Q721 WeakPolarHBondContact O-CB 3.31Å; R718-Q721 PolarHBondContact O-N 2.59Å; L719-Q721 VanDerWaalsContact C-N 3.32Å; Q721-L723 VanDerWaalsContact C-N 3.3Å; Q721-L723 PolarHBondContact O-N 3.11Å; Q721-R724 WeakPolarHBondContact O-CB 3.49Å; Q721-R724 PolarHBondContact O-N 3.02Å; Q721-R724 VanDerWaalsContact O-N 3.15Å; Q721-W725 HydrophobicContact CG-CD2 4.34Å; Q721-W725 HydrophobicContact CG-CH2 4.24Å; Q721-W725 HydrophobicContact CG-CZ2 3.62Å; Q721-W725 PolarHBondContact O-N 3.36Å
722V92.6Very high87.3Confident8 Ų816.7 Ų16.75%0.0488%0.075CC..Hα-helixtrans-64.6-35.3178.6174.60000111.9R718 L719 R724 W725 A726 F830 A838 H839R718-V722 WeakPolarHBondContact O-CG2 3.34Å; R718-V722 PolarHBondContact O-N 2.87Å; L719-V722 PolarHBondContact O-N 2.74Å; V722-R724 VanDerWaalsContact C-N 3.32Å; V722-R724 PolarHBondContact O-N 2.77Å; V722-W725 HydrophobicContact CG2-CE3 4.2Å; V722-W725 HydrophobicContact CG2-CZ3 4.34Å; V722-W725 PolarHBondContact O-N 2.96Å; V722-A726 WeakPolarHBondContact O-CB 3.29Å; V722-A726 PolarHBondContact O-N 2.8Å; V722-F830 HydrophobicContact CG2-CE1 3.82Å; V722-F830 HydrophobicContact CG2-CZ 3.96Å; V722-A838 HydrophobicContact CB-CB 4.29Å; V722-A838 HydrophobicContact CG1-CB 4.02Å; V722-H839 WeakPolarHBondContact CG1-NE2 3.4Å
723L92.8Very high88.3Confident20 Ų2018.7 Ų18.711%0.1058%0.083CC..Hα-helixtrans-58.4-44.7173.1177.373.3000110.9L719 H720 Q721 A726 L727 A838 F841 A842 L881L719-L723 VanDerWaalsContact O-CB 3.29Å; L719-L723 WeakPolarHBondContact O-CB 3.33Å; L719-L723 PolarHBondContact O-N 3.44Å; H720-L723 PolarHBondContact O-N 3.24Å; Q721-L723 VanDerWaalsContact C-N 3.3Å; Q721-L723 PolarHBondContact O-N 3.11Å; L723-A726 PolarHBondContact O-N 2.83Å; L723-L727 VanDerWaalsContact O-CB 3.27Å; L723-L727 WeakPolarHBondContact O-CB 3.4Å; L723-L727 PolarHBondContact O-N 3.12Å; L723-A838 HydrophobicContact CB-CB 4.03Å; L723-A838 WeakPolarHBondContact CD1-O 3.42Å; L723-F841 HydrophobicContact CD1-CB 3.9Å; L723-A842 HydrophobicContact CD1-CB 3.98Å; L723-L881 HydrophobicContact CD1-CD2 4.25Å; L723-L881 HydrophobicContact CD2-CD1 4.2Å; L723-L881 HydrophobicContact CD2-CD2 4.19Å
724R88.7Confident89.2Confident52 Ų5220.1 Ų20.120%0.1969%0.091CC..Hα-helixtrans-62.6-43.2177.8-71.4-173.8-65.7130.9-10.7111.9I680 H720 Q721 V722 L727 G728 T861I680-R724 HydrophobicContact CG2-CB 4.37Å; H720-R724 WeakPolarHBondContact O-CG 3.17Å; H720-R724 PolarHBondContact O-N 2.98Å; H720-R724 VanDerWaalsContact O-N 3.12Å; Q721-R724 WeakPolarHBondContact O-CB 3.49Å; Q721-R724 PolarHBondContact O-N 3.02Å; Q721-R724 VanDerWaalsContact O-N 3.15Å; V722-R724 VanDerWaalsContact C-N 3.32Å; V722-R724 PolarHBondContact O-N 2.77Å; R724-L727 PolarHBondContact O-N 3.28Å; R724-G728 PolarHBondContact O-N 3.48Å; R724-T861 PolarHBondContact NH2-OG1 2.87Å
725W93.3Very high89.7Confident87 Ų8721.2 Ų21.233%0.3310%0.099SC..Hα-helixtrans-63.1-45.1177.3-60-20.2000112.2R718 Q721 V722 G728 S729R718-W725 VanDerWaalsContact NH1-CZ3 3.25Å; Q721-W725 HydrophobicContact CG-CD2 4.34Å; Q721-W725 HydrophobicContact CG-CH2 4.24Å; Q721-W725 HydrophobicContact CG-CZ2 3.62Å; Q721-W725 PolarHBondContact O-N 3.36Å; V722-W725 HydrophobicContact CG2-CE3 4.2Å; V722-W725 HydrophobicContact CG2-CZ3 4.34Å; V722-W725 PolarHBondContact O-N 2.96Å; W725-G728 PolarHBondContact O-N 3.44Å; W725-S729 WeakPolarHBondContact O-CB 3.21Å; W725-S729 PolarHBondContact O-N 3.34Å; W725-S729 PolarHBondContact O-OG 3.32Å
726A94.8Very high90Very high0 Ų028.1 Ų28.10%013%0.125CC..Hα-helixtrans-64.8-41.417800000111.6V722 L723 S729 V730 Y763 P764 A842V722-A726 WeakPolarHBondContact O-CB 3.29Å; V722-A726 PolarHBondContact O-N 2.8Å; L723-A726 PolarHBondContact O-N 2.83Å; A726-S729 PolarHBondContact O-N 3.21Å; A726-V730 WeakPolarHBondContact O-CG2 3.22Å; A726-V730 PolarHBondContact O-N 2.87Å; A726-Y763 WeakPolarHBondContact CA-OH 3.42Å; A726-Y763 PolarHBondContact N-OH 3.43Å; A726-P764 HydrophobicContact CB-CB 4.1Å; A726-P764 HydrophobicContact CB-CG 4.01Å; A726-A842 HydrophobicContact CB-CB 3.48Å; A726-A842 VanDerWaalsContact CB-CB 3.48Å
727L91.5Very high90.4Very high9 Ų928.8 Ų28.85%0.04713%0.129CC..Hα-helixtrans-63.6-46.9177.2-177.265.5000111.4I680 L723 R724 S729 V730 E731 A842 Q845 T856I680-L727 HydrophobicContact CD1-CD2 3.64Å; I680-L727 HydrophobicContact CD1-CG 4.23Å; L723-L727 VanDerWaalsContact O-CB 3.27Å; L723-L727 WeakPolarHBondContact O-CB 3.4Å; L723-L727 PolarHBondContact O-N 3.12Å; R724-L727 PolarHBondContact O-N 3.28Å; L727-S729 VanDerWaalsContact C-N 3.28Å; L727-S729 PolarHBondContact O-N 3.42Å; L727-V730 PolarHBondContact O-N 3.24Å; L727-E731 WeakPolarHBondContact O-CG 3.39Å; L727-E731 PolarHBondContact O-N 2.89Å; L727-A842 HydrophobicContact CB-CB 4.25Å; L727-Q845 HydrophobicContact CD1-CB 4.02Å; L727-T856 HydrophobicContact CD1-CG2 4.49Å; L727-T856 HydrophobicContact CD2-CG2 3.92Å
728G91.1Very high90.9Very high0 Ų028 Ų280%013%0.125CC..Hα-helixtrans-61.5-36.5176.900000113S679 T681 R724 W725 E731 I732S679-G728 WeakPolarHBondContact OG-CA 3.47Å; S679-G728 PolarHBondContact OG-O 3.43Å; T681-G728 VanDerWaalsContact OG1-CA 3.3Å; T681-G728 WeakPolarHBondContact OG1-CA 3.33Å; T681-G728 PolarHBondContact OG1-O 3.24Å; R724-G728 PolarHBondContact O-N 3.48Å; W725-G728 PolarHBondContact O-N 3.44Å; G728-E731 WeakPolarHBondContact O-CB 3.42Å; G728-E731 PolarHBondContact O-N 3.01Å; G728-I732 WeakPolarHBondContact O-CG1 3.16Å; G728-I732 PolarHBondContact O-N 3.32Å
729S95.1Very high91.2Very high1 Ų127.6 Ų27.61%0.00712%0.123CC..Hα-helixtrans-65.1-42.9174.4-58.50000112.1W725 A726 L727 E731 I732 F733 Y763W725-S729 WeakPolarHBondContact O-CB 3.21Å; W725-S729 PolarHBondContact O-N 3.34Å; W725-S729 PolarHBondContact O-OG 3.32Å; A726-S729 PolarHBondContact O-N 3.21Å; L727-S729 VanDerWaalsContact C-N 3.28Å; L727-S729 PolarHBondContact O-N 3.42Å; S729-E731 VanDerWaalsContact C-N 3.35Å; S729-I732 PolarHBondContact O-N 3.45Å; S729-F733 PolarHBondContact O-N 3.49Å; S729-Y763 WeakPolarHBondContact OG-CE1 3.28Å
730V93.8Very high91.4Very high0 Ų031.6 Ų31.60%014%0.144CC..Hα-helixtrans-65.3-38.6174.71760000111.3A726 L727 I732 F733 L734 P764 F765 V843A726-V730 WeakPolarHBondContact O-CG2 3.22Å; A726-V730 PolarHBondContact O-N 2.87Å; L727-V730 PolarHBondContact O-N 3.24Å; V730-I732 PolarHBondContact O-N 3.16Å; V730-F733 WeakPolarHBondContact O-CB 3.33Å; V730-F733 PolarHBondContact O-N 3.12Å; V730-L734 HydrophobicContact CG1-CD1 3.92Å; V730-L734 HydrophobicContact CG1-CG 4.43Å; V730-L734 WeakPolarHBondContact O-CG 3.5Å; V730-L734 PolarHBondContact O-N 2.83Å; V730-P764 HydrophobicContact CG2-CB 4.01Å; V730-P764 HydrophobicContact CG2-CG 4.21Å; V730-F765 HydrophobicContact CG1-CZ 4.19Å; V730-F765 HydrophobicContact CG2-CE1 4.43Å; V730-F765 HydrophobicContact CG2-CZ 4.23Å; V730-V843 HydrophobicContact CG2-CG2 4.14Å
731E91Very high91.4Very high19 Ų1935.7 Ų35.79%0.08916%0.157CC..Hα-helixtrans-60.2-44.5173.4-72.7177.6161.600111.4S679 I680 L727 G728 S729 F733 L734 S735 K849S679-E731 WeakPolarHBondContact CA-OE2 3.42Å; I680-E731 PolarHBondContact N-OE2 2.87Å; L727-E731 WeakPolarHBondContact O-CG 3.39Å; L727-E731 PolarHBondContact O-N 2.89Å; G728-E731 WeakPolarHBondContact O-CB 3.42Å; G728-E731 PolarHBondContact O-N 3.01Å; S729-E731 VanDerWaalsContact C-N 3.35Å; E731-F733 PolarHBondContact O-N 3.3Å; E731-L734 PolarHBondContact O-N 2.74Å; E731-S735 VanDerWaalsContact O-CB 3.29Å; E731-S735 WeakPolarHBondContact O-CB 3.47Å; E731-S735 PolarHBondContact O-N 3.18Å; E731-K849 WeakPolarHBondContact OE1-CE 3.39Å; E731-K849 IonicContact OE1-NZ 2.82Å; E731-K849 PolarHBondContact OE1-NZ 2.95Å
732I92Very high91.5Very high2 Ų236.6 Ų36.61%0.0116%0.16CC..Hα-helixtrans-62.4-43.9176.2-67.6164.4000110.8T681 L685 G728 S729 V730 L734 S735 I761T681-I732 WeakPolarHBondContact OG1-CD1 3.41Å; L685-I732 HydrophobicContact CB-CD1 3.97Å; L685-I732 HydrophobicContact CB-CG1 4.31Å; L685-I732 HydrophobicContact CD1-CG2 4.4Å; L685-I732 HydrophobicContact CD2-CG1 4.5Å; G728-I732 WeakPolarHBondContact O-CG1 3.16Å; G728-I732 PolarHBondContact O-N 3.32Å; S729-I732 PolarHBondContact O-N 3.45Å; V730-I732 PolarHBondContact O-N 3.16Å; I732-L734 VanDerWaalsContact C-N 3.3Å; I732-L734 PolarHBondContact O-N 2.89Å; I732-S735 WeakPolarHBondContact O-CB 3.09Å; I732-S735 PolarHBondContact O-N 2.98Å; I732-S735 VanDerWaalsContact O-N 3.14Å; I732-S735 PolarHBondContact O-OG 3.49Å; I732-I761 HydrophobicContact CB-CD1 3.95Å; I732-I761 HydrophobicContact CD1-CD1 3.82Å; I732-I761 HydrophobicContact CG2-CD1 3.67Å; I732-I761 HydrophobicContact CG2-CG1 4.06Å; I732-I761 HydrophobicContact CG2-CG2 4.26Å
733F94.4Very high91.1Very high45 Ų4537.1 Ų37.120%0.19717%0.168CC..Hα-helixtrans-58.1-41.8177.9179.4-100.7000112.7S729 V730 E731 S735 C738 L740 I761 V762 F765S729-F733 PolarHBondContact O-N 3.49Å; V730-F733 WeakPolarHBondContact O-CB 3.33Å; V730-F733 PolarHBondContact O-N 3.12Å; E731-F733 PolarHBondContact O-N 3.3Å; F733-S735 VanDerWaalsContact C-N 3.32Å; F733-C738 WeakPolarHBondContact O-CB 3.26Å; F733-L740 HydrophobicContact CE2-CD1 3.83Å; F733-I761 HydrophobicContact CB-CG2 3.64Å; F733-I761 HydrophobicContact CD2-CG2 4.24Å; F733-I761 HydrophobicContact CG-CG2 4.45Å; F733-V762 HydrophobicContact CD2-CG1 3.88Å; F733-V762 HydrophobicContact CE2-CG1 3.95Å; F733-F765 HydrophobicContact CB-CE2 4.15Å; F733-F765 AromaticContact CD1-CE2 3.51Å; F733-F765 HydrophobicContact CD1-CE2 3.51Å; F733-F765 AromaticContact CD1-CZ 3.51Å; F733-F765 HydrophobicContact CD1-CZ 3.51Å; F733-F765 HydrophobicContact CD2-CE2 4.06Å; F733-F765 AromaticContact CE1-CE2 3.83Å; F733-F765 HydrophobicContact CE1-CE2 3.83Å; F733-F765 AromaticContact CE1-CZ 3.86Å; F733-F765 HydrophobicContact CE1-CZ 3.86Å; F733-F765 HydrophobicContact CE2-CE2 4.34Å; F733-F765 AromaticContact CG-CE2 3.63Å; F733-F765 HydrophobicContact CG-CE2 3.63Å; F733-F765 HydrophobicContact CG-CZ 4.06Å; F733-F765 HydrophobicContact CZ-CE2 4.24Å
734L90.3Very high90.5Very high62 Ų6239.4 Ų39.433%0.32519%0.185SC..Hα-helixtrans-84.7-6.6-179.7-62.3175.2000113.1V730 E731 I732 M850V730-L734 HydrophobicContact CG1-CD1 3.92Å; V730-L734 HydrophobicContact CG1-CG 4.43Å; V730-L734 WeakPolarHBondContact O-CG 3.5Å; V730-L734 PolarHBondContact O-N 2.83Å; E731-L734 PolarHBondContact O-N 2.74Å; I732-L734 VanDerWaalsContact C-N 3.3Å; I732-L734 PolarHBondContact O-N 2.89Å; L734-M850 HydrophobicContact CD1-CB 3.84Å; L734-M850 HydrophobicContact CD1-CG 4.26Å
735S88Confident89.4Confident34 Ų3443.2 Ų43.224%0.23822%0.219CC..SBendtrans-84.3173.3178.480.40000113E731 I732 F733 H737 C738E731-S735 VanDerWaalsContact O-CB 3.29Å; E731-S735 WeakPolarHBondContact O-CB 3.47Å; E731-S735 PolarHBondContact O-N 3.18Å; I732-S735 WeakPolarHBondContact O-CB 3.09Å; I732-S735 PolarHBondContact O-N 2.98Å; I732-S735 VanDerWaalsContact O-N 3.14Å; I732-S735 PolarHBondContact O-OG 3.49Å; F733-S735 VanDerWaalsContact C-N 3.32Å; S735-H737 PolarHBondContact O-N 3.09Å; S735-H737 VanDerWaalsContact O-N 3.15Å; S735-H737 PolarHBondContact OG-N 3.49Å; S735-H737 VanDerWaalsContact OG-N 3.08Å; S735-C738 PolarHBondContact O-N 3.11Å
736R86.8Confident88.1Confident146 Ų14640.5 Ų40.555%0.55122%0.218SC*.THydrogen-bonded Turntrans-56.7-26.1169.9-171.7178.970.5132.81.3112.8E672 C738 Y742E672-R736 IonicContact OE1-CZ 3.36Å; E672-R736 IonicContact OE1-NH1 3.66Å; E672-R736 IonicContact OE1-NH2 2.65Å; E672-R736 PolarHBondContact OE1-NH2 3.43Å; R736-C738 VanDerWaalsContact C-N 3.32Å; R736-C738 PolarHBondContact O-N 3.16Å; R736-Y742 WeakPolarHBondContact O-CD2 3.31Å
737H89.2Confident87.3Confident16 Ų1643.8 Ų43.87%0.07425%0.252CS..THydrogen-bonded Turntrans-91.724.2-172.9-60.8-75.8000113.9L685 F688 S735 P739 Y742L685-H737 HydrophobicContact CD1-CB 3.46Å; L685-H737 VanDerWaalsContact CD1-CB 3.46Å; F688-H737 VanDerWaalsContact CE1-O 3.29Å; F688-H737 WeakPolarHBondContact CE1-O 3.4Å; S735-H737 PolarHBondContact O-N 3.09Å; S735-H737 VanDerWaalsContact O-N 3.15Å; S735-H737 PolarHBondContact OG-N 3.49Å; S735-H737 VanDerWaalsContact OG-N 3.08Å; H737-P739 WeakPolarHBondContact O-CD 3.35Å; H737-Y742 AromaticContact ND1-CE1 3.92Å; H737-Y742 AromaticContact ND1-CE2 3.56Å; H737-Y742 AromaticContact ND1-CZ 3.49Å
738C92.5Very high87Confident1 Ų146.7 Ų46.71%0.00726%0.262CS..  trans-64.4126.5177.4-176.90000112.1F733 S735 R736 L740 W741 Y742F733-C738 WeakPolarHBondContact O-CB 3.26Å; S735-C738 PolarHBondContact O-N 3.11Å; R736-C738 VanDerWaalsContact C-N 3.32Å; R736-C738 PolarHBondContact O-N 3.16Å; C738-L740 PolarHBondContact O-N 3.11Å; C738-W741 HydrophobicContact CB-CD2 3.97Å; C738-W741 VanDerWaalsContact CB-CE2 3.4Å; C738-W741 HydrophobicContact CB-CE3 4.28Å; C738-W741 HydrophobicContact CB-CH2 3.56Å; C738-W741 HydrophobicContact CB-CZ2 3.19Å; C738-W741 HydrophobicContact CB-CZ3 4.09Å; C738-W741 PolarHBondContact O-N 2.95Å; C738-W741 VanDerWaalsContact SG-CH2 3.53Å; C738-Y742 WeakPolarHBondContact O-CB 3.43Å; C738-Y742 PolarHBondContact O-N 3.1Å
739P93.1Very high87.1Confident2 Ų247.2 Ų47.21%0.01327%0.265CS..THydrogen-bonded Turntrans-60.1-15.2-177.8-26.535000116.2F688 H737 R754 I758 I761F688-P739 HydrophobicContact CE1-CG 4.25Å; F688-P739 HydrophobicContact CE2-CB 4.1Å; F688-P739 HydrophobicContact CE2-CG 4.22Å; F688-P739 HydrophobicContact CZ-CB 3.97Å; F688-P739 HydrophobicContact CZ-CG 4.01Å; H737-P739 WeakPolarHBondContact O-CD 3.35Å; P739-R754 PolarHBondContact O-NH1 2.8Å; P739-I758 HydrophobicContact CB-CG1 3.93Å; P739-I761 HydrophobicContact CG-CB 4.42Å; P739-I761 HydrophobicContact CG-CG1 3.85Å
740L91.9Very high87Confident84 Ų8452.7 Ų52.744%0.4429%0.289SS..THydrogen-bonded Turntrans-68.5-38.6178.5-69.5175.2000112.7F733 C738 I758F733-L740 HydrophobicContact CE2-CD1 3.83Å; C738-L740 PolarHBondContact O-N 3.11Å; L740-I758 HydrophobicContact CD2-CD1 3.79Å; L740-I758 HydrophobicContact CD2-CG1 3.98Å; L740-I758 HydrophobicContact CD2-CG2 4.17Å
741W89Confident87Confident146 Ų14659 Ų5955%0.55332%0.321SS*.THydrogen-bonded Turntrans-123.3-20.3-177.853.481.9000113.5C738 C744C738-W741 HydrophobicContact CB-CD2 3.97Å; C738-W741 VanDerWaalsContact CB-CE2 3.4Å; C738-W741 HydrophobicContact CB-CE3 4.28Å; C738-W741 HydrophobicContact CB-CH2 3.56Å; C738-W741 HydrophobicContact CB-CZ2 3.19Å; C738-W741 HydrophobicContact CB-CZ3 4.09Å; C738-W741 PolarHBondContact O-N 2.95Å; C738-W741 VanDerWaalsContact SG-CH2 3.53Å; W741-C744 PolarHBondContact O-SG 2.96Å
742Y89.6Confident87.2Confident34 Ų3461.1 Ų61.113%0.13333%0.333CS..THydrogen-bonded Turntrans-75.2140.9179.8-170.4-97.6000112.4F688 K689 R736 H737 C738 C744 R754F688-Y742 AromaticContact CE1-CD1 3.5Å; F688-Y742 HydrophobicContact CE1-CD1 3.5Å; F688-Y742 VanDerWaalsContact CE1-CD1 3.5Å; F688-Y742 HydrophobicContact CE1-CE1 4.25Å; F688-Y742 HydrophobicContact CE1-CG 4.28Å; F688-Y742 AromaticContact CZ-CD1 3.82Å; F688-Y742 HydrophobicContact CZ-CD1 3.82Å; K689-Y742 HydrophobicContact CD-CE1 4.02Å; K689-Y742 VanDerWaalsContact CD-OH 3.32Å; K689-Y742 WeakPolarHBondContact CD-OH 3.3Å; K689-Y742 VanDerWaalsContact CE-OH 3.23Å; K689-Y742 WeakPolarHBondContact CE-OH 3.4Å; K689-Y742 PolarHBondContact NZ-OH 3.02Å; R736-Y742 WeakPolarHBondContact O-CD2 3.31Å; H737-Y742 AromaticContact ND1-CE1 3.92Å; H737-Y742 AromaticContact ND1-CE2 3.56Å; H737-Y742 AromaticContact ND1-CZ 3.49Å; C738-Y742 WeakPolarHBondContact O-CB 3.43Å; C738-Y742 PolarHBondContact O-N 3.1Å; Y742-C744 PolarHBondContact O-N 2.64Å; Y742-R754 PolarHBondContact O-NH1 3.04Å
743G83.6Confident87.3Confident20 Ų2061 Ų6121%0.20633%0.333CS..THydrogen-bonded Turntrans67.419.2175.200000114.4R754G743-R754 VanDerWaalsContact C-NH2 3.35Å; G743-R754 PolarHBondContact O-NH2 2.78Å
744C81.2Confident87.4Confident68 Ų6860.3 Ų60.346%0.45933%0.329SS..  trans-76.5-28.2177.1-66.80000112.9W741 Y742 G746W741-C744 PolarHBondContact O-SG 2.96Å; Y742-C744 PolarHBondContact O-N 2.64Å; C744-G746 VanDerWaalsContact C-N 3.33Å; C744-G746 PolarHBondContact O-N 3.45Å
745S66.1Low87.6Confident131 Ų13159.3 Ų59.392%0.91632%0.323SS*.THydrogen-bonded Turntrans-71.2-19.5-172.550.10000115
746G65.7Low88Confident31 Ų3157.9 Ų57.932%0.3231%0.314SS..THydrogen-bonded Turntrans-101.9-13.2-173.700000116.2C744 R748C744-G746 VanDerWaalsContact C-N 3.33Å; C744-G746 PolarHBondContact O-N 3.45Å; G746-R748 VanDerWaalsContact O-CG 3.25Å; G746-R748 WeakPolarHBondContact O-CG 3.43Å; G746-R748 PolarHBondContact O-N 3.08Å
747G77.2Confident88.4Confident68 Ų6851 Ų5170%0.70129%0.288SS*.  trans61.97-177.500000116.4
748R86.6Confident88.8Confident70 Ų7051.2 Ų51.226%0.26429%0.289SS..  trans-86.3-9.8-172.4-50.8-173-173.5165.15.2114.7Q534 S554 R693 G746Q534-R748 PolarHBondContact NE2-O 2.73Å; S554-R748 PolarHBondContact OG-NH1 2.61Å; R693-R748 WeakPolarHBondContact O-CD 3.43Å; R693-R748 PolarHBondContact O-NH1 3.24Å; G746-R748 VanDerWaalsContact O-CG 3.25Å; G746-R748 WeakPolarHBondContact O-CG 3.43Å; G746-R748 PolarHBondContact O-N 3.08Å
749L91.7Very high88.9Confident12 Ų1252.2 Ų52.26%0.06329%0.294CS..SBendtrans-98.5119.5173.8-172.970.4000108.9F688 H691 Q753 R754 Y757F688-L749 HydrophobicContact CD2-CD2 4.44Å; F688-L749 HydrophobicContact CE2-CD2 3.77Å; H691-L749 HydrophobicContact CB-CD1 3.79Å; L749-Q753 HydrophobicContact CD1-CB 4.08Å; L749-Q753 HydrophobicContact CD1-CG 3.69Å; L749-Q753 HydrophobicContact CG-CB 4.46Å; L749-R754 HydrophobicContact CD2-CB 3.79Å; L749-R754 HydrophobicContact CD2-CG 4.17Å; L749-R754 HydrophobicContact CG-CB 4.28Å; L749-Y757 HydrophobicContact CD1-CD2 4.31Å; L749-Y757 HydrophobicContact CD1-CE2 4.15Å; L749-Y757 HydrophobicContact CD2-CD2 4.41Å
750K93.6Very high89Confident115 Ų11553.3 Ų53.350%0.530%0.301SS..  trans-60.2144.7179-69.7-179.4179.9172.20110.8I533 Q534 L752 Q753 R754I533-K750 HydrophobicContact CG2-CB 3.93Å; I533-K750 HydrophobicContact CG2-CD 3.81Å; I533-K750 WeakPolarHBondContact O-CD 3.36Å; I533-K750 PolarHBondContact O-NZ 2.73Å; Q534-K750 HydrophobicContact CB-CD 4.33Å; K750-L752 PolarHBondContact O-N 3.21Å; K750-Q753 HydrophobicContact CB-CB 4.15Å; K750-Q753 WeakPolarHBondContact O-CA 3.43Å; K750-Q753 WeakPolarHBondContact O-CB 3.31Å; K750-Q753 PolarHBondContact O-N 3.06Å; K750-R754 PolarHBondContact O-N 2.6Å
751L93.4Very high89.2Confident132 Ų13249.4 Ų49.469%0.69128%0.281SS*.Hα-helixtrans-56.2-48.3-177.4-179.165.6000112.5Q753 R754 L755L751-Q753 VanDerWaalsContact C-N 3.29Å; L751-Q753 PolarHBondContact O-N 3.15Å; L751-R754 WeakPolarHBondContact O-CB 3.43Å; L751-R754 PolarHBondContact O-N 2.89Å; L751-R754 VanDerWaalsContact O-N 3.16Å; L751-L755 WeakPolarHBondContact O-CG 3.38Å; L751-L755 PolarHBondContact O-N 2.81Å
752L94.5Very high89.5Confident64 Ų6443.7 Ų43.734%0.33526%0.262SS..Hα-helixtrans-62.6-35177.2-78.4137.7000112.5F232 I533 K750 L755 A756F232-L752 HydrophobicContact CB-CD2 4.01Å; F232-L752 WeakPolarHBondContact O-CD2 3.41Å; I533-L752 HydrophobicContact CD1-CB 3.74Å; I533-L752 HydrophobicContact CG1-CB 4.3Å; I533-L752 HydrophobicContact CG2-CB 4.06Å; K750-L752 PolarHBondContact O-N 3.21Å; L752-L755 PolarHBondContact O-N 2.96Å; L752-A756 PolarHBondContact O-N 3.25Å
753Q95.7Very high89.7Confident0 Ų044.4 Ų44.40%027%0.265CS..Hα-helixtrans-67.7-41.4174.5-169.470.25.400111I533 Q534 G535 H691 L749 K750 L751 L755 A756 Y757I533-Q753 HydrophobicContact CG2-CB 4.09Å; Q534-Q753 HydrophobicContact CB-CB 4.11Å; Q534-Q753 HydrophobicContact CB-CG 3.89Å; G535-Q753 PolarHBondContact O-NE2 3.45Å; H691-Q753 PolarHBondContact CE1-NE2 2.89Å; H691-Q753 PolarHBondContact ND1-NE2 3.36Å; L749-Q753 HydrophobicContact CD1-CB 4.08Å; L749-Q753 HydrophobicContact CD1-CG 3.69Å; L749-Q753 HydrophobicContact CG-CB 4.46Å; K750-Q753 HydrophobicContact CB-CB 4.15Å; K750-Q753 WeakPolarHBondContact O-CA 3.43Å; K750-Q753 WeakPolarHBondContact O-CB 3.31Å; K750-Q753 PolarHBondContact O-N 3.06Å; L751-Q753 VanDerWaalsContact C-N 3.29Å; L751-Q753 PolarHBondContact O-N 3.15Å; Q753-L755 VanDerWaalsContact C-N 3.35Å; Q753-L755 PolarHBondContact O-N 3.45Å; Q753-A756 WeakPolarHBondContact O-CB 3.38Å; Q753-A756 PolarHBondContact O-N 3.13Å; Q753-Y757 HydrophobicContact CG-CD2 3.99Å; Q753-Y757 HydrophobicContact CG-CE2 3.75Å; Q753-Y757 VanDerWaalsContact O-CD2 3.28Å; Q753-Y757 WeakPolarHBondContact O-CD2 3.13Å; Q753-Y757 PolarHBondContact O-N 3.46Å
754R95.1Very high90.3Very high31 Ų3143.5 Ų43.512%0.11726%0.255CS..Hα-helixtrans-60.6-44.3174.1-175.1179.9-64.3-82.1-1.5111.4P739 Y742 G743 L749 K750 L751 A756 Y757 I758P739-R754 PolarHBondContact O-NH1 2.8Å; Y742-R754 PolarHBondContact O-NH1 3.04Å; G743-R754 VanDerWaalsContact C-NH2 3.35Å; G743-R754 PolarHBondContact O-NH2 2.78Å; L749-R754 HydrophobicContact CD2-CB 3.79Å; L749-R754 HydrophobicContact CD2-CG 4.17Å; L749-R754 HydrophobicContact CG-CB 4.28Å; K750-R754 PolarHBondContact O-N 2.6Å; L751-R754 WeakPolarHBondContact O-CB 3.43Å; L751-R754 PolarHBondContact O-N 2.89Å; L751-R754 VanDerWaalsContact O-N 3.16Å; R754-A756 VanDerWaalsContact C-N 3.28Å; R754-A756 PolarHBondContact O-N 3.41Å; R754-Y757 PolarHBondContact O-N 3.45Å; R754-I758 HydrophobicContact CG-CD1 3.99Å; R754-I758 HydrophobicContact CG-CG1 4.46Å; R754-I758 VanDerWaalsContact O-CG1 3.31Å; R754-I758 WeakPolarHBondContact O-CG1 3.4Å; R754-I758 PolarHBondContact O-N 3.04Å
755L95.2Very high91.1Very high40 Ų4040.9 Ų40.921%0.20924%0.236CC..Hα-helixtrans-59.3-40.2175.4-68.4177000111.6L229 F232 L751 L752 Q753 I758 N759L229-L755 HydrophobicContact CD2-CB 4.41Å; L229-L755 HydrophobicContact CD2-CD2 3.72Å; F232-L755 HydrophobicContact CD2-CD1 4.45Å; L751-L755 WeakPolarHBondContact O-CG 3.38Å; L751-L755 PolarHBondContact O-N 2.81Å; L752-L755 PolarHBondContact O-N 2.96Å; Q753-L755 VanDerWaalsContact C-N 3.35Å; Q753-L755 PolarHBondContact O-N 3.45Å; L755-I758 HydrophobicContact CD2-CD1 4.46Å; L755-I758 PolarHBondContact O-N 3.08Å; L755-N759 PolarHBondContact O-N 3.06Å
756A96Very high92.5Very high4 Ų435 Ų353%0.03319%0.194CC..Hα-helixtrans-63.6-42175.700000113P233 L530 L752 Q753 R754 N759 T760P233-A756 HydrophobicContact CB-CB 3.77Å; P233-A756 HydrophobicContact CG-CB 3.63Å; L530-A756 HydrophobicContact CD2-CB 3.38Å; L752-A756 PolarHBondContact O-N 3.25Å; Q753-A756 WeakPolarHBondContact O-CB 3.38Å; Q753-A756 PolarHBondContact O-N 3.13Å; R754-A756 VanDerWaalsContact C-N 3.28Å; R754-A756 PolarHBondContact O-N 3.41Å; A756-N759 WeakPolarHBondContact O-CB 3.46Å; A756-N759 PolarHBondContact O-N 3.45Å; A756-T760 WeakPolarHBondContact O-CB 3.32Å; A756-T760 PolarHBondContact O-N 2.7Å; A756-T760 PolarHBondContact O-OG1 3.47Å
757Y96.5Very high94Very high1 Ų133.5 Ų33.50%0.00418%0.179CC..Hα-helixtrans-64.8-42.3173.7-82-63.4000111.8V537 I684 F688 H691 L749 Q753 R754 N759 T760 I761V537-Y757 HydrophobicContact CB-CE1 4.3Å; V537-Y757 HydrophobicContact CG1-CD1 4.17Å; V537-Y757 HydrophobicContact CG1-CE1 3.44Å; V537-Y757 VanDerWaalsContact CG1-CE1 3.44Å; I684-Y757 HydrophobicContact CG2-CE1 4.46Å; F688-Y757 WeakPolarHBondContact CA-OH 3.35Å; F688-Y757 HydrophobicContact CB-CD1 3.97Å; F688-Y757 HydrophobicContact CB-CE1 3.6Å; F688-Y757 AromaticContact CD2-CD1 3.88Å; F688-Y757 HydrophobicContact CD2-CD1 3.88Å; F688-Y757 AromaticContact CD2-CD2 3.62Å; F688-Y757 HydrophobicContact CD2-CD2 3.62Å; F688-Y757 HydrophobicContact CD2-CE1 4.11Å; F688-Y757 AromaticContact CD2-CE2 3.85Å; F688-Y757 HydrophobicContact CD2-CE2 3.85Å; F688-Y757 AromaticContact CD2-CG 3.63Å; F688-Y757 HydrophobicContact CD2-CG 3.63Å; F688-Y757 HydrophobicContact CE2-CD2 4.21Å; F688-Y757 HydrophobicContact CE2-CG 4.25Å; F688-Y757 HydrophobicContact CG-CD1 4.23Å; F688-Y757 HydrophobicContact CG-CE1 4.29Å; F688-Y757 HydrophobicContact CG-CG 4.43Å; F688-Y757 PolarHBondContact N-OH 2.94Å; H691-Y757 HydrophobicContact CB-CE2 4.27Å; H691-Y757 PolarHBondContact CE1-OH 3.19Å; H691-Y757 AromaticContact ND1-CE2 3.64Å; H691-Y757 AromaticContact ND1-CZ 3.71Å; H691-Y757 PolarHBondContact ND1-OH 2.67Å; L749-Y757 HydrophobicContact CD1-CD2 4.31Å; L749-Y757 HydrophobicContact CD1-CE2 4.15Å; L749-Y757 HydrophobicContact CD2-CD2 4.41Å; Q753-Y757 HydrophobicContact CG-CD2 3.99Å; Q753-Y757 HydrophobicContact CG-CE2 3.75Å; Q753-Y757 VanDerWaalsContact O-CD2 3.28Å; Q753-Y757 WeakPolarHBondContact O-CD2 3.13Å; Q753-Y757 PolarHBondContact O-N 3.46Å; R754-Y757 PolarHBondContact O-N 3.45Å; Y757-N759 VanDerWaalsContact C-N 3.34Å; Y757-N759 PolarHBondContact O-N 3.05Å; Y757-T760 PolarHBondContact O-N 3.34Å; Y757-I761 WeakPolarHBondContact O-CB 3.21Å; Y757-I761 VanDerWaalsContact O-CG1 3.28Å; Y757-I761 WeakPolarHBondContact O-CG1 3.37Å; Y757-I761 PolarHBondContact O-N 2.87Å
758I96.4Very high94.9Very high22 Ų2233.7 Ų33.711%0.11316%0.164CC..Hα-helixtrans-56.8-50.9173.9-68.4163.8000109.4L229 P739 L740 R754 L755 T760 I761 V762L229-I758 HydrophobicContact CD1-CG2 4.26Å; P739-I758 HydrophobicContact CB-CG1 3.93Å; L740-I758 HydrophobicContact CD2-CD1 3.79Å; L740-I758 HydrophobicContact CD2-CG1 3.98Å; L740-I758 HydrophobicContact CD2-CG2 4.17Å; R754-I758 HydrophobicContact CG-CD1 3.99Å; R754-I758 HydrophobicContact CG-CG1 4.46Å; R754-I758 VanDerWaalsContact O-CG1 3.31Å; R754-I758 WeakPolarHBondContact O-CG1 3.4Å; R754-I758 PolarHBondContact O-N 3.04Å; L755-I758 HydrophobicContact CD2-CD1 4.46Å; L755-I758 PolarHBondContact O-N 3.08Å; I758-T760 VanDerWaalsContact C-N 3.33Å; I758-T760 PolarHBondContact O-N 2.99Å; I758-I761 PolarHBondContact O-N 3Å; I758-I761 VanDerWaalsContact O-N 3.13Å; I758-V762 HydrophobicContact CG2-CG1 4.23Å; I758-V762 HydrophobicContact CG2-CG2 4.24Å; I758-V762 WeakPolarHBondContact O-CG1 3.49Å; I758-V762 VanDerWaalsContact O-CG2 3.22Å; I758-V762 WeakPolarHBondContact O-CG2 3.29Å; I758-V762 PolarHBondContact O-N 2.77Å
759N95.5Very high95.4Very high21 Ų2131 Ų3111%0.11216%0.156CC..Hα-helixtrans-54-49177.3-171.442.6000111.9L229 D230 L755 A756 Y757 I761 V762 Y763L229-N759 HydrophobicContact CB-CB 4.09Å; D230-N759 WeakPolarHBondContact CA-ND2 3.41Å; D230-N759 PolarHBondContact OD1-ND2 2.75Å; L755-N759 PolarHBondContact O-N 3.06Å; A756-N759 WeakPolarHBondContact O-CB 3.46Å; A756-N759 PolarHBondContact O-N 3.45Å; Y757-N759 VanDerWaalsContact C-N 3.34Å; Y757-N759 PolarHBondContact O-N 3.05Å; N759-I761 PolarHBondContact O-N 2.76Å; N759-V762 PolarHBondContact O-N 3.21Å; N759-Y763 WeakPolarHBondContact O-CB 3.36Å; N759-Y763 PolarHBondContact O-N 2.7Å
760T94.8Very high95.6Very high25 Ų2530.6 Ų30.615%0.15315%0.153CC..Hα-helixtrans-66.6-22.9-178.2-52.90000113.3I684 A756 Y757 I758 Y763I684-T760 HydrophobicContact CD1-CG2 3.91Å; I684-T760 HydrophobicContact CG2-CG2 4.37Å; A756-T760 WeakPolarHBondContact O-CB 3.32Å; A756-T760 PolarHBondContact O-N 2.7Å; A756-T760 PolarHBondContact O-OG1 3.47Å; Y757-T760 PolarHBondContact O-N 3.34Å; I758-T760 VanDerWaalsContact C-N 3.33Å; I758-T760 PolarHBondContact O-N 2.99Å; T760-Y763 WeakPolarHBondContact O-CD1 3.31Å; T760-Y763 WeakPolarHBondContact O-CE1 3.46Å
761I95.4Very high95.8Very high2 Ų226.6 Ų26.61%0.0114%0.138CC..Hα-helixtrans-94.4-37.2178.9-66.2-50.6000111.8I684 I732 F733 P739 Y757 I758 N759 P764I684-I761 HydrophobicContact CG2-CD1 4.1Å; I732-I761 HydrophobicContact CB-CD1 3.95Å; I732-I761 HydrophobicContact CD1-CD1 3.82Å; I732-I761 HydrophobicContact CG2-CD1 3.67Å; I732-I761 HydrophobicContact CG2-CG1 4.06Å; I732-I761 HydrophobicContact CG2-CG2 4.26Å; F733-I761 HydrophobicContact CB-CG2 3.64Å; F733-I761 HydrophobicContact CD2-CG2 4.24Å; F733-I761 HydrophobicContact CG-CG2 4.45Å; P739-I761 HydrophobicContact CG-CB 4.42Å; P739-I761 HydrophobicContact CG-CG1 3.85Å; Y757-I761 WeakPolarHBondContact O-CB 3.21Å; Y757-I761 VanDerWaalsContact O-CG1 3.28Å; Y757-I761 WeakPolarHBondContact O-CG1 3.37Å; Y757-I761 PolarHBondContact O-N 2.87Å; I758-I761 PolarHBondContact O-N 3Å; I758-I761 VanDerWaalsContact O-N 3.13Å; N759-I761 PolarHBondContact O-N 2.76Å; I761-P764 WeakPolarHBondContact O-CD 3.22Å
762V95.2Very high95.9Very high26 Ų2622 Ų2216%0.15812%0.12CC..Hα-helixtrans-91.8-6.7-175.6-52.30000114.1F733 I758 N759 P764 F765F733-V762 HydrophobicContact CD2-CG1 3.88Å; F733-V762 HydrophobicContact CE2-CG1 3.95Å; I758-V762 HydrophobicContact CG2-CG1 4.23Å; I758-V762 HydrophobicContact CG2-CG2 4.24Å; I758-V762 WeakPolarHBondContact O-CG1 3.49Å; I758-V762 VanDerWaalsContact O-CG2 3.22Å; I758-V762 WeakPolarHBondContact O-CG2 3.29Å; I758-V762 PolarHBondContact O-N 2.77Å; N759-V762 PolarHBondContact O-N 3.21Å; V762-P764 VanDerWaalsContact C-N 3.28Å; V762-P764 VanDerWaalsContact O-N 3.14Å; V762-F765 HydrophobicContact CB-CD2 4.08Å; V762-F765 WeakPolarHBondContact O-CB 3.39Å; V762-F765 PolarHBondContact O-N 3.45Å
763Y94.9Very high96Very high50 Ų5021.9 Ų21.920%0.19612%0.115CC..G310 helixtrans-51.7-36.3-178.883.9-90.6000114.6A726 S729 N759 T760 F765 T766 H839A726-Y763 WeakPolarHBondContact CA-OH 3.42Å; A726-Y763 PolarHBondContact N-OH 3.43Å; S729-Y763 WeakPolarHBondContact OG-CE1 3.28Å; N759-Y763 WeakPolarHBondContact O-CB 3.36Å; N759-Y763 PolarHBondContact O-N 2.7Å; T760-Y763 WeakPolarHBondContact O-CD1 3.31Å; T760-Y763 WeakPolarHBondContact O-CE1 3.46Å; Y763-F765 PolarHBondContact O-N 3.17Å; Y763-T766 VanDerWaalsContact O-CB 3.29Å; Y763-T766 WeakPolarHBondContact O-CB 3.46Å; Y763-T766 PolarHBondContact O-N 3.26Å; Y763-T766 VanDerWaalsContact O-N 3.09Å; Y763-T766 PolarHBondContact O-OG1 2.8Å; Y763-H839 AromaticContact CD2-CE1 3.84Å; Y763-H839 AromaticContact CE2-CE1 3.55Å; Y763-H839 AromaticContact CE2-ND1 3.98Å; Y763-H839 AromaticContact CE2-NE2 3.56Å
764P96.6Very high96Very high0 Ų021.9 Ų21.90%012%0.116CC..G310 helixtrans-64.4-30.4-179.1-21.635.6000112.2A726 V730 I761 V762 T766 S767 H839 V843A726-P764 HydrophobicContact CB-CB 4.1Å; A726-P764 HydrophobicContact CB-CG 4.01Å; V730-P764 HydrophobicContact CG2-CB 4.01Å; V730-P764 HydrophobicContact CG2-CG 4.21Å; I761-P764 WeakPolarHBondContact O-CD 3.22Å; V762-P764 VanDerWaalsContact C-N 3.28Å; V762-P764 VanDerWaalsContact O-N 3.14Å; P764-T766 PolarHBondContact O-N 3.31Å; P764-S767 WeakPolarHBondContact O-CB 3.19Å; P764-S767 PolarHBondContact O-N 2.83Å; P764-S767 PolarHBondContact O-OG 3.48Å; P764-H839 HydrophobicContact CB-CB 4.37Å; P764-V843 HydrophobicContact CB-CG2 3.9Å; P764-V843 WeakPolarHBondContact O-CG2 3.21Å
765F96.5Very high96Very high14 Ų1422 Ų226%0.06112%0.12CC..G310 helixtrans-65.6-20.8178.2-63.8-62.1000113W222 V730 F733 V762 Y763 S767 L768 P769 V843 F847W222-F765 HydrophobicContact CH2-CB 4.42Å; W222-F765 HydrophobicContact CZ2-CB 3.84Å; V730-F765 HydrophobicContact CG1-CZ 4.19Å; V730-F765 HydrophobicContact CG2-CE1 4.43Å; V730-F765 HydrophobicContact CG2-CZ 4.23Å; F733-F765 HydrophobicContact CB-CE2 4.15Å; F733-F765 AromaticContact CD1-CE2 3.51Å; F733-F765 HydrophobicContact CD1-CE2 3.51Å; F733-F765 AromaticContact CD1-CZ 3.51Å; F733-F765 HydrophobicContact CD1-CZ 3.51Å; F733-F765 HydrophobicContact CD2-CE2 4.06Å; F733-F765 AromaticContact CE1-CE2 3.83Å; F733-F765 HydrophobicContact CE1-CE2 3.83Å; F733-F765 AromaticContact CE1-CZ 3.86Å; F733-F765 HydrophobicContact CE1-CZ 3.86Å; F733-F765 HydrophobicContact CE2-CE2 4.34Å; F733-F765 AromaticContact CG-CE2 3.63Å; F733-F765 HydrophobicContact CG-CE2 3.63Å; F733-F765 HydrophobicContact CG-CZ 4.06Å; F733-F765 HydrophobicContact CZ-CE2 4.24Å; V762-F765 HydrophobicContact CB-CD2 4.08Å; V762-F765 WeakPolarHBondContact O-CB 3.39Å; V762-F765 PolarHBondContact O-N 3.45Å; Y763-F765 PolarHBondContact O-N 3.17Å; F765-S767 PolarHBondContact O-N 3.07Å; F765-S767 VanDerWaalsContact O-N 3.15Å; F765-L768 PolarHBondContact O-N 3.03Å; F765-P769 VanDerWaalsContact O-CD 3.23Å; F765-P769 WeakPolarHBondContact O-CD 3.36Å; F765-V843 HydrophobicContact CD1-CG1 3.84Å; F765-V843 HydrophobicContact CD1-CG2 3.88Å; F765-V843 HydrophobicContact CE1-CG1 3.95Å; F765-V843 HydrophobicContact CE1-CG2 4.23Å; F765-F847 HydrophobicContact CD1-CE2 4.42Å; F765-F847 AromaticContact CE1-CE2 3.8Å; F765-F847 HydrophobicContact CE1-CE2 3.8Å; F765-F847 AromaticContact CE1-CZ 3.78Å; F765-F847 HydrophobicContact CE1-CZ 3.78Å
766T96.4Very high96Very high6 Ų620.4 Ų20.44%0.03711%0.111CC..G310 helixtrans-63.4-16.3172.3-50.40000112.1W222 F223 Y763 P764 L768 P769 L770 W831W222-T766 PolarHBondContact NE1-OG1 2.74Å; F223-T766 HydrophobicContact CD1-CG2 3.87Å; F223-T766 HydrophobicContact CE1-CG2 3.8Å; Y763-T766 VanDerWaalsContact O-CB 3.29Å; Y763-T766 WeakPolarHBondContact O-CB 3.46Å; Y763-T766 PolarHBondContact O-N 3.26Å; Y763-T766 VanDerWaalsContact O-N 3.09Å; Y763-T766 PolarHBondContact O-OG1 2.8Å; P764-T766 PolarHBondContact O-N 3.31Å; T766-L768 VanDerWaalsContact C-N 3.35Å; T766-L768 PolarHBondContact O-N 3.3Å; T766-P769 WeakPolarHBondContact O-CD 3.22Å; T766-P769 WeakPolarHBondContact O-CG 3.17Å; T766-L770 WeakPolarHBondContact O-CB 3.38Å; T766-L770 PolarHBondContact O-N 2.84Å; T766-L770 VanDerWaalsContact O-N 3.07Å; T766-W831 HydrophobicContact CG2-CZ2 3.95Å
767S96.5Very high95.8Very high1 Ų120.7 Ų20.71%0.00711%0.113CC..Hα-helixtrans-60.8-37.8172.760.50000114.1P764 F765 L770 V771 G835P764-S767 WeakPolarHBondContact O-CB 3.19Å; P764-S767 PolarHBondContact O-N 2.83Å; P764-S767 PolarHBondContact O-OG 3.48Å; F765-S767 PolarHBondContact O-N 3.07Å; F765-S767 VanDerWaalsContact O-N 3.15Å; S767-L770 PolarHBondContact O-N 2.83Å; S767-V771 WeakPolarHBondContact O-CG2 3.18Å; S767-V771 PolarHBondContact O-N 3.35Å; S767-G835 WeakPolarHBondContact CB-O 3.46Å
768L96.4Very high95.7Very high71 Ų7120.7 Ų20.737%0.37211%0.113SC..Hα-helixtrans-61.9-56.7-178.3-66173.4000111.8F765 T766 L770 V771 A772 L840 V843 F844F765-L768 PolarHBondContact O-N 3.03Å; T766-L768 VanDerWaalsContact C-N 3.35Å; T766-L768 PolarHBondContact O-N 3.3Å; L768-L770 VanDerWaalsContact C-N 3.26Å; L768-L770 PolarHBondContact O-N 3.41Å; L768-V771 PolarHBondContact O-N 3.34Å; L768-A772 PolarHBondContact O-N 2.78Å; L768-L840 HydrophobicContact CD2-CD1 3.85Å; L768-V843 HydrophobicContact CD1-CG1 4.11Å; L768-V843 HydrophobicContact CG-CG1 4.36Å; L768-F844 HydrophobicContact CD2-CE2 4.48Å; L768-F844 HydrophobicContact CD2-CZ 4.06Å
769P97Very high95.5Very high15 Ų1522.3 Ų22.310%0.09712%0.121CC..Hα-helixtrans-65.5-30.3174.225.2-32.2000111.9C219 W222 F223 F765 T766 A772 Y773C219-P769 HydrophobicContact CB-CB 4.03Å; W222-P769 HydrophobicContact CB-CB 4.34Å; W222-P769 HydrophobicContact CB-CG 4.15Å; W222-P769 HydrophobicContact CD2-CG 4.09Å; W222-P769 HydrophobicContact CG-CB 4.35Å; W222-P769 HydrophobicContact CG-CG 3.65Å; F223-P769 HydrophobicContact CE1-CB 4.18Å; F223-P769 HydrophobicContact CE1-CG 4.13Å; F765-P769 VanDerWaalsContact O-CD 3.23Å; F765-P769 WeakPolarHBondContact O-CD 3.36Å; T766-P769 WeakPolarHBondContact O-CD 3.22Å; T766-P769 WeakPolarHBondContact O-CG 3.17Å; P769-A772 PolarHBondContact O-N 3.16Å; P769-Y773 WeakPolarHBondContact O-CB 3.39Å; P769-Y773 PolarHBondContact O-N 2.78Å
770L97Very high95.2Very high2 Ų221.4 Ų21.41%0.0112%0.117CC..Hα-helixtrans-63.9-45.4177-174.966.6000113.8F223 T766 S767 L768 A772 Y773 C774 W831 V836F223-L770 HydrophobicContact CE1-CB 4.23Å; F223-L770 HydrophobicContact CE1-CD1 4.48Å; F223-L770 HydrophobicContact CZ-CB 4.12Å; F223-L770 HydrophobicContact CZ-CD1 3.88Å; T766-L770 WeakPolarHBondContact O-CB 3.38Å; T766-L770 PolarHBondContact O-N 2.84Å; T766-L770 VanDerWaalsContact O-N 3.07Å; S767-L770 PolarHBondContact O-N 2.83Å; L768-L770 VanDerWaalsContact C-N 3.26Å; L768-L770 PolarHBondContact O-N 3.41Å; L770-A772 VanDerWaalsContact C-N 3.34Å; L770-Y773 PolarHBondContact O-N 3.06Å; L770-C774 WeakPolarHBondContact O-CB 3.01Å; L770-C774 PolarHBondContact O-N 3.16Å; L770-C774 PolarHBondContact O-SG 3.45Å; L770-W831 HydrophobicContact CD1-CH2 4.06Å; L770-W831 HydrophobicContact CD1-CZ3 4.13Å; L770-W831 HydrophobicContact CD2-CH2 4.21Å; L770-W831 HydrophobicContact CD2-CZ3 4.31Å; L770-V836 HydrophobicContact CD2-CG2 4.36Å; L770-V836 HydrophobicContact CG-CG2 4.4Å
771V96.8Very high95Very high31 Ų3120.5 Ų20.519%0.18811%0.111CC..Hα-helixtrans-64.5-42.8177.2170.50000110.7S767 L768 T775 V836 L840 L888S767-V771 WeakPolarHBondContact O-CG2 3.18Å; S767-V771 PolarHBondContact O-N 3.35Å; L768-V771 PolarHBondContact O-N 3.34Å; V771-T775 PolarHBondContact O-N 3.32Å; V771-T775 PolarHBondContact O-OG1 3.02Å; V771-V836 HydrophobicContact CG2-CB 4.37Å; V771-V836 HydrophobicContact CG2-CG1 4.39Å; V771-V836 HydrophobicContact CG2-CG2 4.24Å; V771-L840 HydrophobicContact CG2-CD1 4.07Å; V771-L840 HydrophobicContact CG2-CD2 3.93Å; V771-L840 HydrophobicContact CG2-CG 4.4Å; V771-L888 HydrophobicContact CG1-CD1 4.37Å
772A96.4Very high94.6Very high37 Ų3724.5 Ų24.531%0.30613%0.132SC..Hα-helixtrans-59.9-50.3174.400000111.2T215 L768 P769 L770 C774 T775 L776T215-A772 HydrophobicContact CG2-CB 4.35Å; L768-A772 PolarHBondContact O-N 2.78Å; P769-A772 PolarHBondContact O-N 3.16Å; L770-A772 VanDerWaalsContact C-N 3.34Å; A772-C774 PolarHBondContact O-N 3.08Å; A772-T775 WeakPolarHBondContact O-CB 3.42Å; A772-T775 PolarHBondContact O-N 2.65Å; A772-T775 VanDerWaalsContact O-N 3.08Å; A772-L776 WeakPolarHBondContact O-CG 3.07Å; A772-L776 PolarHBondContact O-N 3.25Å; A772-L776 VanDerWaalsContact O-N 3.13Å
773Y95.8Very high94.2Very high60 Ų6027 Ų2724%0.23515%0.147CC..Hα-helixtrans-63.1-41.1-178-166.6-102.2000112.9C219 E220 F223 P769 L770 T775 L776 P777C219-Y773 HydrophobicContact CB-CD2 3.89Å; C219-Y773 HydrophobicContact CB-CG 4.42Å; E220-Y773 HydrophobicContact CG-CE2 3.93Å; F223-Y773 AromaticContact CE2-CD1 3.74Å; F223-Y773 HydrophobicContact CE2-CD1 3.74Å; F223-Y773 HydrophobicContact CE2-CD2 4.32Å; F223-Y773 HydrophobicContact CE2-CE1 4.27Å; F223-Y773 AromaticContact CE2-CG 3.77Å; F223-Y773 HydrophobicContact CE2-CG 3.77Å; F223-Y773 HydrophobicContact CZ-CD1 4.46Å; F223-Y773 HydrophobicContact CZ-CG 4.32Å; P769-Y773 WeakPolarHBondContact O-CB 3.39Å; P769-Y773 PolarHBondContact O-N 2.78Å; L770-Y773 PolarHBondContact O-N 3.06Å; Y773-T775 PolarHBondContact O-N 3.49Å; Y773-L776 HydrophobicContact CD2-CD1 4.07Å; Y773-L776 WeakPolarHBondContact O-CB 3.38Å; Y773-L776 PolarHBondContact O-N 2.79Å; Y773-P777 WeakPolarHBondContact O-CD 3.22Å
774C95.9Very high93.5Very high1 Ų126.4 Ų26.41%0.00716%0.156CC..Hα-helixtrans-69.8-17.6176.1-68.80000113.6L770 A772 L888 N892 V924L770-C774 WeakPolarHBondContact O-CB 3.01Å; L770-C774 PolarHBondContact O-N 3.16Å; L770-C774 PolarHBondContact O-SG 3.45Å; A772-C774 PolarHBondContact O-N 3.08Å; C774-L888 HydrophobicContact CB-CD2 3.7Å; C774-L888 WeakPolarHBondContact O-CD2 3.3Å; C774-N892 PolarHBondContact O-ND2 3.21Å; C774-V924 HydrophobicContact CB-CG1 4Å; C774-V924 HydrophobicContact CB-CG2 4.15Å
775T95.6Very high92.9Very high33 Ų3331.3 Ų31.320%0.20218%0.177CC..Hα-helixtrans-88.5-27.6176.6-51.40000112V771 A772 Y773 A778 I779 L888V771-T775 PolarHBondContact O-N 3.32Å; V771-T775 PolarHBondContact O-OG1 3.02Å; A772-T775 WeakPolarHBondContact O-CB 3.42Å; A772-T775 PolarHBondContact O-N 2.65Å; A772-T775 VanDerWaalsContact O-N 3.08Å; Y773-T775 PolarHBondContact O-N 3.49Å; T775-A778 PolarHBondContact O-N 3.23Å; T775-I779 HydrophobicContact CG2-CD1 3.84Å; T775-I779 HydrophobicContact CG2-CG1 4.16Å; T775-I779 PolarHBondContact O-N 2.96Å; T775-L888 WeakPolarHBondContact OG1-CD2 3.34Å
776L94.2Very high92.2Very high7 Ų732.8 Ų32.84%0.03718%0.184CC..Hα-helixtrans-53.5-45.1-177.4-78.3175.9000114.2L212 T215 A772 Y773 A778 I779 C780 I787L212-L776 HydrophobicContact CD2-CD2 3.89Å; T215-L776 HydrophobicContact CG2-CD1 4.43Å; T215-L776 HydrophobicContact CG2-CD2 4.36Å; A772-L776 WeakPolarHBondContact O-CG 3.07Å; A772-L776 PolarHBondContact O-N 3.25Å; A772-L776 VanDerWaalsContact O-N 3.13Å; Y773-L776 HydrophobicContact CD2-CD1 4.07Å; Y773-L776 WeakPolarHBondContact O-CB 3.38Å; Y773-L776 PolarHBondContact O-N 2.79Å; L776-A778 VanDerWaalsContact C-N 3.35Å; L776-A778 PolarHBondContact O-N 2.67Å; L776-I779 PolarHBondContact O-N 2.65Å; L776-C780 PolarHBondContact O-N 2.71Å; L776-C780 PolarHBondContact O-SG 2.94Å; L776-I787 HydrophobicContact CB-CD1 3.79Å; L776-I787 HydrophobicContact CD1-CD1 4.06Å; L776-I787 HydrophobicContact CD2-CD1 4.22Å; L776-I787 HydrophobicContact CG-CD1 4.24Å
777P93Very high91.6Very high10 Ų1033.2 Ų33.27%0.06519%0.185CC..Hα-helixtrans-60.3-42.4179.4-2534.9000113Y773 I779 C780 L781 F920 A921 V924Y773-P777 WeakPolarHBondContact O-CD 3.22Å; P777-I779 PolarHBondContact O-N 3.48Å; P777-C780 PolarHBondContact O-N 3.17Å; P777-L781 WeakPolarHBondContact O-CG 3.41Å; P777-L781 PolarHBondContact O-N 3.03Å; P777-F920 HydrophobicContact CB-CB 3.9Å; P777-F920 HydrophobicContact CG-CB 3.67Å; P777-A921 HydrophobicContact CB-CB 3.92Å; P777-V924 HydrophobicContact CG-CG2 4.43Å
778A92.6Very high90.8Very high0 Ų034.1 Ų34.10%019%0.19CC..Hα-helixtrans-61.4-45.4177.100000111.4T775 L776 C780 L781 L782 I891T775-A778 PolarHBondContact O-N 3.23Å; L776-A778 VanDerWaalsContact C-N 3.35Å; L776-A778 PolarHBondContact O-N 2.67Å; A778-C780 VanDerWaalsContact C-N 3.33Å; A778-C780 PolarHBondContact O-N 3.32Å; A778-L781 PolarHBondContact O-N 3.09Å; A778-L782 WeakPolarHBondContact O-CB 3.39Å; A778-L782 VanDerWaalsContact O-CG 3.28Å; A778-L782 WeakPolarHBondContact O-CG 3.42Å; A778-L782 PolarHBondContact O-N 3Å; A778-I891 HydrophobicContact CB-CG1 4.1Å; A778-I891 HydrophobicContact CB-CG2 4.06Å
779I92.9Very high89.8Confident57 Ų5732.3 Ų32.329%0.29218%0.183SC..Hα-helixtrans-63.4-40177.5-62.8170.1000110.9L212 T775 L776 P777 L781 L782 T783L212-I779 HydrophobicContact CD1-CG2 4.31Å; L212-I779 HydrophobicContact CD2-CG2 3.86Å; T775-I779 HydrophobicContact CG2-CD1 3.84Å; T775-I779 HydrophobicContact CG2-CG1 4.16Å; T775-I779 PolarHBondContact O-N 2.96Å; L776-I779 PolarHBondContact O-N 2.65Å; P777-I779 PolarHBondContact O-N 3.48Å; I779-L781 VanDerWaalsContact C-N 3.34Å; I779-L781 PolarHBondContact O-N 3.04Å; I779-L782 PolarHBondContact O-N 2.92Å; I779-T783 HydrophobicContact CG2-CG2 3.94Å; I779-T783 WeakPolarHBondContact O-CB 3.5Å; I779-T783 WeakPolarHBondContact O-CG2 3.2Å; I779-T783 PolarHBondContact O-N 3.48Å; I779-T783 PolarHBondContact O-OG1 2.96Å
780C90.4Very high88.7Confident2 Ų238.2 Ų38.21%0.01422%0.219CC..Hα-helixtrans-68.1-32.8178.8-66.40000113.4L776 P777 A778 G784 K785 I787 K917L776-C780 PolarHBondContact O-N 2.71Å; L776-C780 PolarHBondContact O-SG 2.94Å; P777-C780 PolarHBondContact O-N 3.17Å; A778-C780 VanDerWaalsContact C-N 3.33Å; A778-C780 PolarHBondContact O-N 3.32Å; C780-G784 PolarHBondContact O-N 3.48Å; C780-K785 WeakPolarHBondContact CA-O 3.35Å; C780-K785 WeakPolarHBondContact CB-O 3.17Å; C780-K785 VanDerWaalsContact O-O 3.04Å; C780-I787 VanDerWaalsContact SG-CD1 3.54Å; C780-I787 WeakPolarHBondContact SG-CG1 3.11Å; C780-K917 HydrophobicContact CB-CG 4.45Å; C780-K917 PolarHBondContact O-NZ 3.18Å; C780-K917 VanDerWaalsContact O-NZ 3.11Å
781L89.3Confident87.5Confident6 Ų642 Ų423%0.03124%0.239CC..Hα-helixtrans-70.1-42.9173-76.3161.9000111.3P777 A778 I779 G895 V896 L914 K917 V918 A921P777-L781 WeakPolarHBondContact O-CG 3.41Å; P777-L781 PolarHBondContact O-N 3.03Å; A778-L781 PolarHBondContact O-N 3.09Å; I779-L781 VanDerWaalsContact C-N 3.34Å; I779-L781 PolarHBondContact O-N 3.04Å; L781-G895 VanDerWaalsContact CB-O 3.32Å; L781-G895 WeakPolarHBondContact CB-O 3.26Å; L781-V896 HydrophobicContact CD1-CG2 3.96Å; L781-L914 HydrophobicContact CD2-CD1 4.09Å; L781-K917 HydrophobicContact CD2-CB 3.58Å; L781-K917 HydrophobicContact CD2-CD 4.32Å; L781-K917 HydrophobicContact CG-CB 3.91Å; L781-V918 HydrophobicContact CD2-CG2 3.96Å; L781-A921 HydrophobicContact CD1-CB 3.57Å
782L87.4Confident86.7Confident86 Ų8643.2 Ų43.245%0.4525%0.248SC..Hα-helixtrans-75.2-37.5-177.5-68.2170.8000113.7A778 I779 I891 A898A778-L782 WeakPolarHBondContact O-CB 3.39Å; A778-L782 VanDerWaalsContact O-CG 3.28Å; A778-L782 WeakPolarHBondContact O-CG 3.42Å; A778-L782 PolarHBondContact O-N 3Å; I779-L782 PolarHBondContact O-N 2.92Å; L782-I891 HydrophobicContact CD1-CG1 4.49Å; L782-A898 HydrophobicContact CD2-CB 3.69Å
783T87.1Confident86.2Confident78 Ų7848.4 Ų48.448%0.47927%0.271SS..Hα-helixtrans-89.7-10.2-176.560.20000113.7I779 K785I779-T783 HydrophobicContact CG2-CG2 3.94Å; I779-T783 WeakPolarHBondContact O-CB 3.5Å; I779-T783 WeakPolarHBondContact O-CG2 3.2Å; I779-T783 PolarHBondContact O-N 3.48Å; I779-T783 PolarHBondContact O-OG1 2.96Å; T783-K785 PolarHBondContact O-N 3.23Å; T783-K785 VanDerWaalsContact O-N 3.08Å; T783-K785 PolarHBondContact OG1-N 3.09Å
784G79.7Confident85.7Confident37 Ų3750.9 Ų50.938%0.38129%0.288SS..  trans72.3-10.6-172.900000114.5C780 K917C780-G784 PolarHBondContact O-N 3.48Å; G784-K917 PolarHBondContact O-NZ 3.04Å
785K83.4Confident85.2Confident104 Ų10450.9 Ų50.945%0.45229%0.287SS..  trans-72.9158.6175-63.4-164.5176.5-164.60111.6S208 A209 L212 C780 T783 K917S208-K785 WeakPolarHBondContact O-CD 3.3Å; S208-K785 WeakPolarHBondContact O-CE 3.39Å; S208-K785 PolarHBondContact O-NZ 3.41Å; A209-K785 HydrophobicContact CB-CB 4.02Å; A209-K785 HydrophobicContact CB-CD 3.93Å; A209-K785 HydrophobicContact CB-CG 4.48Å; L212-K785 HydrophobicContact CD1-CB 4.06Å; C780-K785 WeakPolarHBondContact CA-O 3.35Å; C780-K785 WeakPolarHBondContact CB-O 3.17Å; C780-K785 VanDerWaalsContact O-O 3.04Å; T783-K785 PolarHBondContact O-N 3.23Å; T783-K785 VanDerWaalsContact O-N 3.08Å; T783-K785 PolarHBondContact OG1-N 3.09Å; K785-K917 VanDerWaalsContact O-CE 3.31Å; K785-K917 WeakPolarHBondContact O-CE 3.2Å; K785-K917 PolarHBondContact O-NZ 3.38Å
786F82Confident84.7Confident45 Ų4551.7 Ų51.720%0.19730%0.295CS..  trans-135.4147.3177.5-161.6-134.1000111.2I788 K917 F920F786-I788 HydrophobicContact CD1-CB 4.13Å; F786-I788 WeakPolarHBondContact CD1-O 3.46Å; F786-I788 HydrophobicContact CE1-CB 3.7Å; F786-I788 HydrophobicContact CE1-CG1 4.36Å; F786-I788 HydrophobicContact CZ-CB 4.28Å; F786-I788 HydrophobicContact CZ-CD1 4.34Å; F786-I788 HydrophobicContact CZ-CG1 4.45Å; F786-K917 HydrophobicContact CD2-CD 4.09Å; F786-K917 HydrophobicContact CD2-CG 3.34Å; F786-K917 HydrophobicContact CE2-CB 4.35Å; F786-K917 HydrophobicContact CE2-CG 3.39Å; F786-K917 HydrophobicContact CG-CG 4.34Å; F786-K917 HydrophobicContact CZ-CG 4.41Å; F786-F920 HydrophobicContact CE2-CD2 4.44Å; F786-F920 HydrophobicContact CE2-CE2 4.27Å; F786-F920 HydrophobicContact CZ-CE2 4.12Å
787I83.6Confident84.6Confident14 Ų1457.5 Ų57.57%0.07232%0.323CS..SBendtrans-85.4-27.8-171.8-51.5174000110.6R201 V206 L212 S216 L776 C780R201-I787 PolarHBondContact NH1-O 3.28Å; R201-I787 PolarHBondContact NH2-O 2.83Å; V206-I787 WeakPolarHBondContact CG2-O 3.23Å; L212-I787 HydrophobicContact CB-CG1 4.47Å; S216-I787 WeakPolarHBondContact OG-CG2 3.29Å; L776-I787 HydrophobicContact CB-CD1 3.79Å; L776-I787 HydrophobicContact CD1-CD1 4.06Å; L776-I787 HydrophobicContact CD2-CD1 4.22Å; L776-I787 HydrophobicContact CG-CD1 4.24Å; C780-I787 VanDerWaalsContact SG-CD1 3.54Å; C780-I787 WeakPolarHBondContact SG-CG1 3.11Å
788I80.6Confident84.5Confident20 Ų2058.3 Ų58.310%0.10333%0.327CS..SBendtrans-101.1132-177.3-55.8175.7000107.6F786 L791 F799 F920F786-I788 HydrophobicContact CD1-CB 4.13Å; F786-I788 WeakPolarHBondContact CD1-O 3.46Å; F786-I788 HydrophobicContact CE1-CB 3.7Å; F786-I788 HydrophobicContact CE1-CG1 4.36Å; F786-I788 HydrophobicContact CZ-CB 4.28Å; F786-I788 HydrophobicContact CZ-CD1 4.34Å; F786-I788 HydrophobicContact CZ-CG1 4.45Å; I788-L791 HydrophobicContact CG2-CD2 3.62Å; I788-L791 HydrophobicContact CG2-CG 4.26Å; I788-F799 HydrophobicContact CD1-CE1 3.95Å; I788-F799 HydrophobicContact CD1-CZ 3.99Å; I788-F799 HydrophobicContact CG1-CZ 4.41Å; I788-F799 HydrophobicContact CG2-CE2 4.21Å; I788-F799 HydrophobicContact CG2-CZ 3.95Å; I788-F920 HydrophobicContact CD1-CE2 3.8Å; I788-F920 HydrophobicContact CD1-CZ 3.78Å
789P75.4Confident84.3Confident34 Ų3459.7 Ų59.722%0.22133%0.333CS..PPolyproline II helixtrans-64.9167.617228.7-33.2000110.4R201 V206 L791R201-P789 VanDerWaalsContact NH1-CD 3.32Å; V206-P789 HydrophobicContact CG2-CB 4.07Å; V206-P789 HydrophobicContact CG2-CG 4.25Å; P789-L791 PolarHBondContact O-N 3.34Å; P789-L791 VanDerWaalsContact O-N 3.12Å
790T72.9Confident84.3Confident139 Ų13961.2 Ų61.285%0.85334%0.341SS*.PPolyproline II helixtrans-55.9122.6171.3420000109.6S792T790-S792 PolarHBondContact O-N 2.91Å
791L73.2Confident84.4Confident82 Ų8262.2 Ų62.243%0.42935%0.352SS..PPolyproline II helixtrans-72.1119.6-171.1-66.7173.5000110.2I788 P789 A795 S796 F799I788-L791 HydrophobicContact CG2-CD2 3.62Å; I788-L791 HydrophobicContact CG2-CG 4.26Å; P789-L791 PolarHBondContact O-N 3.34Å; P789-L791 VanDerWaalsContact O-N 3.12Å; L791-A795 HydrophobicContact CB-CB 4.25Å; L791-A795 HydrophobicContact CD2-CB 3.67Å; L791-S796 WeakPolarHBondContact CB-OG 3.29Å; L791-F799 HydrophobicContact CD2-CD2 3.64Å; L791-F799 HydrophobicContact CD2-CE2 3.42Å; L791-F799 VanDerWaalsContact CD2-CE2 3.42Å; L791-F799 HydrophobicContact CD2-CZ 4.34Å
792S80.4Confident84.6Confident55 Ų5563.3 Ų63.339%0.38536%0.357SS..PPolyproline II helixtrans-69.7164.916371.20000110.3T790 L794 A795 S796T790-S792 PolarHBondContact O-N 2.91Å; S792-L794 PolarHBondContact O-N 3.03Å; S792-A795 WeakPolarHBondContact O-CB 3.24Å; S792-A795 PolarHBondContact O-N 3.44Å; S792-A795 PolarHBondContact OG-N 2.8Å; S792-S796 PolarHBondContact O-N 3.33Å; S792-S796 PolarHBondContact O-OG 3.42Å
793N85.3Confident84.9Confident147 Ų14763.9 Ų63.979%0.78636%0.356SS*.Hα-helixtrans-53.4-40175.5-70-23.8000112.1M797N793-M797 WeakPolarHBondContact O-CG 3.32Å; N793-M797 PolarHBondContact O-N 3.37Å; N793-M797 VanDerWaalsContact O-N 3.15Å
794L85.2Confident85.3Confident112 Ų11264.7 Ų64.759%0.58636%0.357SS*.Hα-helixtrans-64.5-44.9176.7-179.564.5000111.9S792 M797 L798S792-L794 PolarHBondContact O-N 3.03Å; L794-M797 PolarHBondContact O-N 2.96Å; L794-L798 PolarHBondContact O-N 2.93Å; L794-L798 VanDerWaalsContact O-N 3.08Å
795A84.2Confident86.1Confident0 Ų063.3 Ų63.30%034%0.341CS..Hα-helixtrans-60.1-50.6179.100000110.5Y200 L791 S792 M797 L798 F799Y200-A795 HydrophobicContact CE1-CB 3.62Å; Y200-A795 HydrophobicContact CE2-CB 4.25Å; Y200-A795 VanDerWaalsContact CZ-CB 3.48Å; Y200-A795 WeakPolarHBondContact OH-CB 3.36Å; L791-A795 HydrophobicContact CB-CB 4.25Å; L791-A795 HydrophobicContact CD2-CB 3.67Å; S792-A795 WeakPolarHBondContact O-CB 3.24Å; S792-A795 PolarHBondContact O-N 3.44Å; S792-A795 PolarHBondContact OG-N 2.8Å; A795-M797 VanDerWaalsContact C-N 3.26Å; A795-M797 PolarHBondContact O-N 3.23Å; A795-L798 WeakPolarHBondContact O-CB 3.44Å; A795-L798 PolarHBondContact O-N 3.34Å; A795-F799 VanDerWaalsContact O-CD2 3.23Å; A795-F799 WeakPolarHBondContact O-CD2 3.37Å; A795-F799 PolarHBondContact O-N 2.55Å
796S86.6Confident86.6Confident51 Ų5161.1 Ų61.136%0.35733%0.334SS..Hα-helixtrans-54.3-41.7177.5-62.70000112.5L791 S792 F799 L800L791-S796 WeakPolarHBondContact CB-OG 3.29Å; S792-S796 PolarHBondContact O-N 3.33Å; S792-S796 PolarHBondContact O-OG 3.42Å; S796-F799 PolarHBondContact O-N 2.88Å; S796-L800 VanDerWaalsContact O-CB 3.29Å; S796-L800 WeakPolarHBondContact O-CB 3.46Å; S796-L800 PolarHBondContact O-N 2.9Å
797M91.1Very high87.2Confident128 Ų12864.1 Ų64.163%0.63135%0.351SS*.Hα-helixtrans-66-38176.2-72.4-60.7-66.600113.1N793 L794 A795 G801N793-M797 WeakPolarHBondContact O-CG 3.32Å; N793-M797 PolarHBondContact O-N 3.37Å; N793-M797 VanDerWaalsContact O-N 3.15Å; L794-M797 PolarHBondContact O-N 2.96Å; A795-M797 VanDerWaalsContact C-N 3.26Å; A795-M797 PolarHBondContact O-N 3.23Å; M797-G801 PolarHBondContact O-N 3.01Å
798L91.5Very high87.7Confident27 Ų2767.2 Ų67.214%0.14137%0.367CS..Hα-helixtrans-66.5-44.9175.8-70.5174.7000111.8L196 Y200 L794 A795 G801 L802L196-L798 HydrophobicContact CB-CD2 4Å; Y200-L798 HydrophobicContact CG-CD1 4Å; L794-L798 PolarHBondContact O-N 2.93Å; L794-L798 VanDerWaalsContact O-N 3.08Å; A795-L798 WeakPolarHBondContact O-CB 3.44Å; A795-L798 PolarHBondContact O-N 3.34Å; L798-G801 PolarHBondContact O-N 3.33Å; L798-L802 WeakPolarHBondContact O-CB 3.18Å; L798-L802 PolarHBondContact O-N 3.39Å
799F89.3Confident88.4Confident29 Ų2966.3 Ų66.313%0.12736%0.363CS..Hα-helixtrans-61.2-46.1175.2-81.1-84.5000111.2F197 I788 L791 A795 S796 L802 F803F197-F799 AromaticContact CE2-CD1 3.8Å; F197-F799 HydrophobicContact CE2-CD1 3.8Å; F197-F799 HydrophobicContact CE2-CD2 4.44Å; F197-F799 AromaticContact CE2-CE1 3.46Å; F197-F799 HydrophobicContact CE2-CE1 3.46Å; F197-F799 VanDerWaalsContact CE2-CE1 3.46Å; F197-F799 HydrophobicContact CE2-CE2 4.11Å; F197-F799 HydrophobicContact CE2-CG 4.29Å; F197-F799 AromaticContact CE2-CZ 3.61Å; F197-F799 HydrophobicContact CE2-CZ 3.61Å; F197-F799 AromaticContact CZ-CE1 3.94Å; F197-F799 HydrophobicContact CZ-CE1 3.94Å; F197-F799 HydrophobicContact CZ-CZ 4.18Å; I788-F799 HydrophobicContact CD1-CE1 3.95Å; I788-F799 HydrophobicContact CD1-CZ 3.99Å; I788-F799 HydrophobicContact CG1-CZ 4.41Å; I788-F799 HydrophobicContact CG2-CE2 4.21Å; I788-F799 HydrophobicContact CG2-CZ 3.95Å; L791-F799 HydrophobicContact CD2-CD2 3.64Å; L791-F799 HydrophobicContact CD2-CE2 3.42Å; L791-F799 VanDerWaalsContact CD2-CE2 3.42Å; L791-F799 HydrophobicContact CD2-CZ 4.34Å; A795-F799 VanDerWaalsContact O-CD2 3.23Å; A795-F799 WeakPolarHBondContact O-CD2 3.37Å; A795-F799 PolarHBondContact O-N 2.55Å; S796-F799 PolarHBondContact O-N 2.88Å; F799-L802 PolarHBondContact O-N 3.09Å; F799-F803 WeakPolarHBondContact O-CD2 3.5Å; F799-F803 PolarHBondContact O-N 3.36Å
800L91Very high89.3Confident89 Ų8966.1 Ų66.147%0.46636%0.362SS..Hα-helixtrans-62.1-45.9177.8-178.763.7000111.7S796 L802 F803 I804S796-L800 VanDerWaalsContact O-CB 3.29Å; S796-L800 WeakPolarHBondContact O-CB 3.46Å; S796-L800 PolarHBondContact O-N 2.9Å; L800-L802 VanDerWaalsContact C-N 3.29Å; L800-L802 PolarHBondContact O-N 2.81Å; L800-F803 PolarHBondContact O-N 3.45Å; L800-I804 HydrophobicContact CD1-CD1 3.88Å; L800-I804 HydrophobicContact CD1-CG1 4.23Å; L800-I804 HydrophobicContact CD2-CD1 4.48Å; L800-I804 HydrophobicContact CG-CD1 3.83Å; L800-I804 HydrophobicContact CG-CG1 4.5Å; L800-I804 WeakPolarHBondContact O-CG1 3.38Å; L800-I804 PolarHBondContact O-N 3.12Å
801G94Very high90.3Very high23 Ų2363.2 Ų63.224%0.23734%0.344CS..Hα-helixtrans-58-42.1176.100000112M797 L798 S805M797-G801 PolarHBondContact O-N 3.01Å; L798-G801 PolarHBondContact O-N 3.33Å; G801-S805 VanDerWaalsContact O-CB 3.24Å; G801-S805 WeakPolarHBondContact O-CB 3.49Å; G801-S805 PolarHBondContact O-N 3.48Å; G801-S805 PolarHBondContact O-OG 2.83Å
802L93.2Very high91.3Very high29 Ų2960.3 Ų60.315%0.15233%0.329CS..Hα-helixtrans-62.5-51175.8-176.164.5000111.3I193 L194 F197 L798 F799 L800 I804 S805 I806I193-L802 HydrophobicContact CG2-CB 4.17Å; I193-L802 HydrophobicContact CG2-CD1 4.5Å; L194-L802 HydrophobicContact CB-CD1 4.46Å; L194-L802 HydrophobicContact CD1-CD1 4.39Å; L194-L802 HydrophobicContact CG-CD1 4.44Å; F197-L802 HydrophobicContact CD1-CD2 4.41Å; F197-L802 HydrophobicContact CD2-CD2 4.23Å; F197-L802 HydrophobicContact CE2-CD2 4.37Å; F197-L802 HydrophobicContact CG-CD2 4.24Å; L798-L802 WeakPolarHBondContact O-CB 3.18Å; L798-L802 PolarHBondContact O-N 3.39Å; F799-L802 PolarHBondContact O-N 3.09Å; L800-L802 VanDerWaalsContact C-N 3.29Å; L800-L802 PolarHBondContact O-N 2.81Å; L802-I804 PolarHBondContact O-N 3.4Å; L802-S805 PolarHBondContact O-N 2.92Å; L802-S805 PolarHBondContact O-OG 3.01Å; L802-I806 HydrophobicContact CD1-CD1 4.38Å; L802-I806 HydrophobicContact CG-CD1 4.07Å; L802-I806 VanDerWaalsContact O-CG1 3.28Å; L802-I806 WeakPolarHBondContact O-CG1 3.43Å; L802-I806 PolarHBondContact O-N 3.44Å
803F92.9Very high92Very high98 Ų9858.3 Ų58.343%0.4331%0.313SS..Hα-helixtrans-58.1-46.8179-82.7-65.1000112.8F799 L800 S805 I806 I807 F919F799-F803 WeakPolarHBondContact O-CD2 3.5Å; F799-F803 PolarHBondContact O-N 3.36Å; L800-F803 PolarHBondContact O-N 3.45Å; F803-S805 VanDerWaalsContact C-N 3.33Å; F803-S805 PolarHBondContact O-N 3.25Å; F803-I806 PolarHBondContact O-N 3.26Å; F803-I807 WeakPolarHBondContact O-CG1 3.35Å; F803-I807 PolarHBondContact O-N 2.81Å; F803-I807 VanDerWaalsContact O-N 3.16Å; F803-F919 HydrophobicContact CZ-CE1 4.49Å
804I95.6Very high92.4Very high95 Ų9552.4 Ų52.449%0.48728%0.282SS..Hα-helixtrans-63.8-42178.2-67172.5000110.4L800 L802 I806 I807 L808L800-I804 HydrophobicContact CD1-CD1 3.88Å; L800-I804 HydrophobicContact CD1-CG1 4.23Å; L800-I804 HydrophobicContact CD2-CD1 4.48Å; L800-I804 HydrophobicContact CG-CD1 3.83Å; L800-I804 HydrophobicContact CG-CG1 4.5Å; L800-I804 WeakPolarHBondContact O-CG1 3.38Å; L800-I804 PolarHBondContact O-N 3.12Å; L802-I804 PolarHBondContact O-N 3.4Å; I804-I806 VanDerWaalsContact C-N 3.3Å; I804-I806 PolarHBondContact O-N 2.9Å; I804-I807 PolarHBondContact O-N 3.18Å; I804-L808 WeakPolarHBondContact O-CB 3.28Å; I804-L808 PolarHBondContact O-N 2.98Å
805S96Very high92.8Very high8 Ų854.4 Ų54.46%0.05628%0.282CS..Hα-helixtrans-62.4-37.5179.277.20000112.4G801 L802 F803 T809G801-S805 VanDerWaalsContact O-CB 3.24Å; G801-S805 WeakPolarHBondContact O-CB 3.49Å; G801-S805 PolarHBondContact O-N 3.48Å; G801-S805 PolarHBondContact O-OG 2.83Å; L802-S805 PolarHBondContact O-N 2.92Å; L802-S805 PolarHBondContact O-OG 3.01Å; F803-S805 VanDerWaalsContact C-N 3.33Å; F803-S805 PolarHBondContact O-N 3.25Å; S805-T809 WeakPolarHBondContact O-CB 3.44Å; S805-T809 PolarHBondContact O-N 2.86Å; S805-T809 PolarHBondContact O-OG1 2.87Å
806I94.3Very high93.2Very high58 Ų5855 Ų5530%0.29728%0.284SS..Hα-helixtrans-62.9-53.7176.5-65.9163.9000109.7L802 F803 I804 L808 T809 S810L802-I806 HydrophobicContact CD1-CD1 4.38Å; L802-I806 HydrophobicContact CG-CD1 4.07Å; L802-I806 VanDerWaalsContact O-CG1 3.28Å; L802-I806 WeakPolarHBondContact O-CG1 3.43Å; L802-I806 PolarHBondContact O-N 3.44Å; F803-I806 PolarHBondContact O-N 3.26Å; I804-I806 VanDerWaalsContact C-N 3.3Å; I804-I806 PolarHBondContact O-N 2.9Å; I806-L808 VanDerWaalsContact C-N 3.33Å; I806-L808 PolarHBondContact O-N 3.34Å; I806-T809 WeakPolarHBondContact O-CB 3.31Å; I806-T809 PolarHBondContact O-N 2.73Å; I806-S810 PolarHBondContact O-N 3.22Å; I806-S810 PolarHBondContact O-OG 3.24Å
807I94.4Very high93.5Very high108 Ų10853.2 Ų53.255%0.55427%0.271SS*.Hα-helixtrans-58.7-46.7-179.1-65.2167.8000110.4F803 I804 T809 S810 V811F803-I807 WeakPolarHBondContact O-CG1 3.35Å; F803-I807 PolarHBondContact O-N 2.81Å; F803-I807 VanDerWaalsContact O-N 3.16Å; I804-I807 PolarHBondContact O-N 3.18Å; I807-T809 VanDerWaalsContact C-N 3.34Å; I807-T809 PolarHBondContact O-N 2.75Å; I807-S810 PolarHBondContact O-N 2.82Å; I807-V811 HydrophobicContact CG2-CG2 4.3Å; I807-V811 WeakPolarHBondContact O-CG2 3.27Å; I807-V811 PolarHBondContact O-N 2.86Å
808L95.3Very high93.5Very high80 Ų8050.5 Ų50.542%0.41928%0.277SS..Hα-helixtrans-64.2-39.9-179.3-17264.2000111.9V186 I804 I806 L812V186-L808 HydrophobicContact CG1-CB 4.2Å; V186-L808 HydrophobicContact CG1-CD2 3.96Å; V186-L808 HydrophobicContact CG1-CG 3.96Å; V186-L808 HydrophobicContact CG2-CD2 3.66Å; V186-L808 HydrophobicContact CG2-CG 4.1Å; I804-L808 WeakPolarHBondContact O-CB 3.28Å; I804-L808 PolarHBondContact O-N 2.98Å; I806-L808 VanDerWaalsContact C-N 3.33Å; I806-L808 PolarHBondContact O-N 3.34Å; L808-L812 HydrophobicContact CD1-CD1 4.49Å; L808-L812 HydrophobicContact CG-CD1 4.24Å; L808-L812 WeakPolarHBondContact O-CB 3.47Å; L808-L812 WeakPolarHBondContact O-CG 3.32Å; L808-L812 PolarHBondContact O-N 3.28Å
809T95.1Very high93.6Very high0 Ų049.9 Ų49.90%027%0.274CS..Hα-helixtrans-59.4-50.7174.9-54.40000110.1Y183 I187 R190 S805 I806 I807 V811 L812 E813Y183-T809 HydrophobicContact CE2-CG2 4.02Å; I187-T809 HydrophobicContact CG1-CG2 4.07Å; R190-T809 WeakPolarHBondContact CD-OG1 3.29Å; S805-T809 WeakPolarHBondContact O-CB 3.44Å; S805-T809 PolarHBondContact O-N 2.86Å; S805-T809 PolarHBondContact O-OG1 2.87Å; I806-T809 WeakPolarHBondContact O-CB 3.31Å; I806-T809 PolarHBondContact O-N 2.73Å; I807-T809 VanDerWaalsContact C-N 3.34Å; I807-T809 PolarHBondContact O-N 2.75Å; T809-V811 PolarHBondContact O-N 3.09Å; T809-L812 PolarHBondContact O-N 3.32Å; T809-E813 WeakPolarHBondContact O-CB 3.42Å; T809-E813 PolarHBondContact O-N 2.95Å
810S93.6Very high93.8Very high30 Ų3050.9 Ų50.921%0.2128%0.284CS..Hα-helixtrans-62.7-44.3-179-61.90000112.2I806 I807 L812 E813 L814I806-S810 PolarHBondContact O-N 3.22Å; I806-S810 PolarHBondContact O-OG 3.24Å; I807-S810 PolarHBondContact O-N 2.82Å; S810-L812 VanDerWaalsContact C-N 3.33Å; S810-L812 PolarHBondContact O-N 2.57Å; S810-E813 WeakPolarHBondContact O-CB 3.45Å; S810-E813 PolarHBondContact O-N 2.82Å; S810-L814 VanDerWaalsContact O-CG 3.25Å; S810-L814 WeakPolarHBondContact O-CG 3.44Å; S810-L814 PolarHBondContact O-N 3.35Å
811V94.5Very high93.8Very high79 Ų7952 Ų5248%0.47929%0.29SS..Hα-helixtrans-62.6-40.5178.2171.30000111.6I807 T809 L814 R815I807-V811 HydrophobicContact CG2-CG2 4.3Å; I807-V811 WeakPolarHBondContact O-CG2 3.27Å; I807-V811 PolarHBondContact O-N 2.86Å; T809-V811 PolarHBondContact O-N 3.09Å; V811-L814 PolarHBondContact O-N 3.06Å; V811-R815 WeakPolarHBondContact O-CB 3.42Å; V811-R815 PolarHBondContact O-N 2.93Å
812L94.8Very high93.6Very high21 Ų2155.7 Ų55.711%0.1130%0.301CS..Hα-helixtrans-69.6-37.2176.3-71.8175.7000112.3Y183 V186 L808 T809 S810 L814 R815 W816Y183-L812 HydrophobicContact CD2-CB 4.03Å; V186-L812 HydrophobicContact CB-CD1 3.95Å; V186-L812 HydrophobicContact CG1-CD1 4.38Å; V186-L812 HydrophobicContact CG2-CD1 3.55Å; L808-L812 HydrophobicContact CD1-CD1 4.49Å; L808-L812 HydrophobicContact CG-CD1 4.24Å; L808-L812 WeakPolarHBondContact O-CB 3.47Å; L808-L812 WeakPolarHBondContact O-CG 3.32Å; L808-L812 PolarHBondContact O-N 3.28Å; T809-L812 PolarHBondContact O-N 3.32Å; S810-L812 VanDerWaalsContact C-N 3.33Å; S810-L812 PolarHBondContact O-N 2.57Å; L812-L814 VanDerWaalsContact C-N 3.35Å; L812-R815 PolarHBondContact O-N 3.16Å; L812-W816 PolarHBondContact O-N 3.45Å
813E94.4Very high93.5Very high12 Ų1255.7 Ų55.76%0.05630%0.301CS..Hα-helixtrans-60-45.2174-167.6173.1-164.300111.2Y183 K234 V525 T809 S810 R815 W816 S817Y183-E813 HydrophobicContact CE2-CB 3.8Å; Y183-E813 HydrophobicContact CE2-CG 4.25Å; K234-E813 VanDerWaalsContact CD-OE1 3.28Å; K234-E813 WeakPolarHBondContact CD-OE1 3.36Å; K234-E813 IonicContact NZ-OE1 2.88Å; K234-E813 PolarHBondContact NZ-OE1 3.45Å; V525-E813 HydrophobicContact CG1-CG 3.89Å; V525-E813 WeakPolarHBondContact CG1-OE1 3.42Å; T809-E813 WeakPolarHBondContact O-CB 3.42Å; T809-E813 PolarHBondContact O-N 2.95Å; S810-E813 WeakPolarHBondContact O-CB 3.45Å; S810-E813 PolarHBondContact O-N 2.82Å; E813-R815 VanDerWaalsContact C-N 3.35Å; E813-R815 PolarHBondContact O-N 2.93Å; E813-W816 HydrophobicContact CG-CZ2 4.32Å; E813-S817 WeakPolarHBondContact O-CB 3.4Å; E813-S817 PolarHBondContact O-N 3.44Å; E813-S817 VanDerWaalsContact O-N 3.13Å; E813-S817 PolarHBondContact O-OG 3.46Å
814L93.5Very high93.4Very high24 Ų2451.8 Ų51.813%0.12629%0.285CS..Hα-helixtrans-62.8-39174.9-67.7177.1000112.5S810 V811 L812 W816 S817 G818 V819 I821 L824S810-L814 VanDerWaalsContact O-CG 3.25Å; S810-L814 WeakPolarHBondContact O-CG 3.44Å; S810-L814 PolarHBondContact O-N 3.35Å; V811-L814 PolarHBondContact O-N 3.06Å; L812-L814 VanDerWaalsContact C-N 3.35Å; L814-W816 VanDerWaalsContact C-N 3.34Å; L814-W816 PolarHBondContact O-N 2.86Å; L814-S817 WeakPolarHBondContact CA-OG 3.33Å; L814-S817 PolarHBondContact O-N 3.23Å; L814-S817 PolarHBondContact O-OG 2.84Å; L814-G818 PolarHBondContact O-N 3.35Å; L814-V819 HydrophobicContact CD2-CB 3.77Å; L814-V819 HydrophobicContact CD2-CG1 3.71Å; L814-V819 WeakPolarHBondContact CD2-O 3.36Å; L814-I821 HydrophobicContact CD1-CB 4.04Å; L814-I821 HydrophobicContact CD1-CD1 3.46Å; L814-I821 VanDerWaalsContact CD1-CD1 3.46Å; L814-I821 HydrophobicContact CD1-CG1 4.34Å; L814-L824 HydrophobicContact CD1-CD2 3.96Å; L814-L824 HydrophobicContact CD2-CB 4.01Å; L814-L824 HydrophobicContact CD2-CD2 4.09Å; L814-L824 HydrophobicContact CD2-CG 4.49Å; L814-L824 HydrophobicContact CG-CD2 4.11Å
815R93.7Very high93.2Very high154 Ų15451.8 Ų51.858%0.58128%0.278SS*.Hα-helixtrans-63.8-34.7-177.2-174.7179.5-178.8-168.70.1113.8K179 V811 L812 E813K179-R815 HydrophobicContact CD-CG 4.46Å; K179-R815 PolarHBondContact NZ-O 2.87Å; V811-R815 WeakPolarHBondContact O-CB 3.42Å; V811-R815 PolarHBondContact O-N 2.93Å; L812-R815 PolarHBondContact O-N 3.16Å; E813-R815 VanDerWaalsContact C-N 3.35Å; E813-R815 PolarHBondContact O-N 2.93Å
816W93.2Very high93Very high11 Ų1153.3 Ų53.34%0.04228%0.283CS..Hα-helixtrans-90-30.6178.272.3-107.4000112.8I175 K179 I180 Y183 P237 V525 L812 E813 L814I175-W816 HydrophobicContact CD1-CD2 4.03Å; I175-W816 HydrophobicContact CD1-CE3 3.26Å; I175-W816 HydrophobicContact CD1-CZ3 3.8Å; I175-W816 HydrophobicContact CG2-CB 4Å; K179-W816 HydrophobicContact CB-CB 4.21Å; K179-W816 HydrophobicContact CD-CB 4.3Å; I180-W816 HydrophobicContact CD1-CB 4.3Å; I180-W816 HydrophobicContact CD1-CD2 4.34Å; I180-W816 HydrophobicContact CD1-CG 4.04Å; Y183-W816 AromaticContact CD1-NE1 3.75Å; Y183-W816 AromaticContact CE1-NE1 3.71Å; Y183-W816 AromaticContact CG-NE1 3.99Å; Y183-W816 AromaticContact CZ-NE1 3.91Å; P237-W816 HydrophobicContact CB-CE3 4.24Å; P237-W816 HydrophobicContact CB-CH2 3.68Å; P237-W816 HydrophobicContact CB-CZ2 4.34Å; P237-W816 HydrophobicContact CB-CZ3 3.62Å; P237-W816 HydrophobicContact CG-CD2 4.4Å; P237-W816 HydrophobicContact CG-CE3 4.21Å; P237-W816 HydrophobicContact CG-CH2 4.03Å; P237-W816 HydrophobicContact CG-CZ2 4.22Å; P237-W816 HydrophobicContact CG-CZ3 4.02Å; V525-W816 HydrophobicContact CB-CH2 4.33Å; V525-W816 HydrophobicContact CG1-CH2 3.54Å; V525-W816 HydrophobicContact CG1-CZ2 3.54Å; L812-W816 PolarHBondContact O-N 3.45Å; E813-W816 HydrophobicContact CG-CZ2 4.32Å; L814-W816 VanDerWaalsContact C-N 3.34Å; L814-W816 PolarHBondContact O-N 2.86Å
817S92.6Very high92.9Very high14 Ų1452.1 Ų52.110%0.09828%0.277CS..Hα-helixtrans-77.5-33.8-179.357.50000113R528 E813 L814 V819R528-S817 PolarHBondContact NH1-O 3Å; E813-S817 WeakPolarHBondContact O-CB 3.4Å; E813-S817 PolarHBondContact O-N 3.44Å; E813-S817 VanDerWaalsContact O-N 3.13Å; E813-S817 PolarHBondContact O-OG 3.46Å; L814-S817 WeakPolarHBondContact CA-OG 3.33Å; L814-S817 PolarHBondContact O-N 3.23Å; L814-S817 PolarHBondContact O-OG 2.84Å; S817-V819 VanDerWaalsContact C-N 3.31Å; S817-V819 PolarHBondContact OG-N 3.14Å
818G91.6Very high92.7Very high72 Ų7250.5 Ų50.574%0.74227%0.267SS*.  trans82.29.8-172.900000113.6L814L814-G818 PolarHBondContact O-N 3.35Å
819V92.7Very high92.6Very high14 Ų1446.9 Ų46.99%0.08525%0.248CC..  trans-73.9146.4176.6170.70000110.1I520 V521 D524 V525 L814 S817 D823I520-V819 HydrophobicContact CD1-CG1 3.91Å; I520-V819 HydrophobicContact CD1-CG2 4.41Å; I520-V819 HydrophobicContact CG1-CG1 4.19Å; V521-V819 HydrophobicContact CG2-CG1 4.43Å; D524-V819 HydrophobicContact CB-CG2 4.18Å; V525-V819 HydrophobicContact CG2-CG2 3.9Å; L814-V819 HydrophobicContact CD2-CB 3.77Å; L814-V819 HydrophobicContact CD2-CG1 3.71Å; L814-V819 WeakPolarHBondContact CD2-O 3.36Å; S817-V819 VanDerWaalsContact C-N 3.31Å; S817-V819 PolarHBondContact OG-N 3.14Å; V819-D823 HydrophobicContact CG1-CB 4.19Å
820S92.4Very high92.5Very high49 Ų4947.7 Ų47.734%0.34325%0.252SS..  trans-78.1150.6176.288.50000111.5E822 D823 L824S820-E822 PolarHBondContact O-N 3.22Å; S820-D823 WeakPolarHBondContact CB-OD2 3.39Å; S820-D823 PolarHBondContact O-N 3.46Å; S820-D823 PolarHBondContact OG-N 3.41Å; S820-D823 VanDerWaalsContact OG-N 3.1Å; S820-D823 PolarHBondContact OG-OD2 3.26Å; S820-L824 PolarHBondContact O-N 3.29Å
821I91.6Very high92.5Very high113 Ų11350.2 Ų50.258%0.57926%0.257SS*.Hα-helixtrans-63.2-32.4175.6-173.661.6000112.1L814 L824 W825L814-I821 HydrophobicContact CD1-CB 4.04Å; L814-I821 HydrophobicContact CD1-CD1 3.46Å; L814-I821 VanDerWaalsContact CD1-CD1 3.46Å; L814-I821 HydrophobicContact CD1-CG1 4.34Å; I821-L824 HydrophobicContact CD1-CD2 4.42Å; I821-W825 WeakPolarHBondContact O-CB 3.42Å; I821-W825 PolarHBondContact O-N 3.01Å
822E90.2Very high92.6Very high100 Ų10046.5 Ų46.547%0.46723%0.234SC..Hα-helixtrans-64.6-44.8177.1-179.7174.1-17500110.8S820 L824 W825 R826S820-E822 PolarHBondContact O-N 3.22Å; E822-L824 PolarHBondContact O-N 3.28Å; E822-W825 PolarHBondContact O-N 3.42Å; E822-R826 VanDerWaalsContact O-CB 3.24Å; E822-R826 WeakPolarHBondContact O-CB 3.41Å; E822-R826 PolarHBondContact O-N 2.62Å; E822-R826 IonicContact OE1-NH2 2.7Å; E822-R826 PolarHBondContact OE1-NH2 3.49Å; E822-R826 VanDerWaalsContact OE1-NH2 3.15Å
823D90.4Very high92.5Very high29 Ų2945.6 Ų45.616%0.15523%0.229CC..Hα-helixtrans-65.9-38.4-179.7-67.7-57.1000112I520 V819 S820 R826 N827I520-D823 HydrophobicContact CD1-CB 3.34Å; I520-D823 WeakPolarHBondContact CD1-OD2 3.41Å; I520-D823 HydrophobicContact CG1-CB 3.81Å; V819-D823 HydrophobicContact CG1-CB 4.19Å; S820-D823 WeakPolarHBondContact CB-OD2 3.39Å; S820-D823 PolarHBondContact O-N 3.46Å; S820-D823 PolarHBondContact OG-N 3.41Å; S820-D823 VanDerWaalsContact OG-N 3.1Å; S820-D823 PolarHBondContact OG-OD2 3.26Å; D823-R826 PolarHBondContact O-N 3.37Å; D823-N827 VanDerWaalsContact O-CB 3.3Å; D823-N827 WeakPolarHBondContact O-CB 3.45Å; D823-N827 PolarHBondContact O-N 2.8Å
824L91.5Very high92.5Very high17 Ų1745 Ų459%0.08923%0.227CC..Hα-helixtrans-62-50.9174-177.573.2000110.8V521 L814 S820 I821 E822 R826 N827 E828V521-L824 HydrophobicContact CG1-CD1 4.36Å; V521-L824 HydrophobicContact CG2-CD1 4.02Å; L814-L824 HydrophobicContact CD1-CD2 3.96Å; L814-L824 HydrophobicContact CD2-CB 4.01Å; L814-L824 HydrophobicContact CD2-CD2 4.09Å; L814-L824 HydrophobicContact CD2-CG 4.49Å; L814-L824 HydrophobicContact CG-CD2 4.11Å; S820-L824 PolarHBondContact O-N 3.29Å; I821-L824 HydrophobicContact CD1-CD2 4.42Å; E822-L824 PolarHBondContact O-N 3.28Å; L824-R826 VanDerWaalsContact C-N 3.3Å; L824-R826 PolarHBondContact O-N 3.29Å; L824-N827 WeakPolarHBondContact O-CB 3.45Å; L824-N827 PolarHBondContact O-N 3.17Å; L824-E828 WeakPolarHBondContact O-CG 3.42Å; L824-E828 PolarHBondContact O-N 3.39Å
825W92Very high92.6Very high95 Ų9544 Ų4436%0.3622%0.222SC..Hα-helixtrans-59.9-42.1178.4179.2-104.4000111.8I821 E822 N827 E828 Q829 L926 H927I821-W825 WeakPolarHBondContact O-CB 3.42Å; I821-W825 PolarHBondContact O-N 3.01Å; E822-W825 PolarHBondContact O-N 3.42Å; W825-N827 VanDerWaalsContact C-N 3.33Å; W825-N827 PolarHBondContact O-N 3.31Å; W825-E828 PolarHBondContact O-N 2.61Å; W825-Q829 HydrophobicContact CZ2-CG 4.36Å; W825-Q829 WeakPolarHBondContact O-CG 3.35Å; W825-Q829 PolarHBondContact O-N 2.75Å; W825-L926 HydrophobicContact CH2-CD2 4.04Å; W825-L926 HydrophobicContact CZ2-CD2 3.69Å; W825-L926 HydrophobicContact CZ2-CG 3.96Å; W825-H927 AromaticContact CH2-CE1 3.32Å; W825-H927 WeakPolarHBondContact CH2-CE1 3.49Å; W825-H927 AromaticContact CH2-NE2 3.58Å; W825-H927 AromaticContact CZ3-CE1 3.83Å; W825-H927 AromaticContact CZ3-NE2 3.75Å
826R90.3Very high92.7Very high39 Ų3936.7 Ų36.715%0.14719%0.194CC..Hα-helixtrans-63.4-39.7177.4-170.170.573.6-138.9-6.9111.9S512 D513 R514 A516 E822 D823 L824 Q829 F830S512-R826 PolarHBondContact O-NE 3.25Å; D513-R826 WeakPolarHBondContact O-CD 3.44Å; D513-R826 WeakPolarHBondContact O-CG 3.43Å; R514-R826 WeakPolarHBondContact O-CD 3.42Å; A516-R826 HydrophobicContact CB-CG 4.08Å; E822-R826 VanDerWaalsContact O-CB 3.24Å; E822-R826 WeakPolarHBondContact O-CB 3.41Å; E822-R826 PolarHBondContact O-N 2.62Å; E822-R826 IonicContact OE1-NH2 2.7Å; E822-R826 PolarHBondContact OE1-NH2 3.49Å; E822-R826 VanDerWaalsContact OE1-NH2 3.15Å; D823-R826 PolarHBondContact O-N 3.37Å; L824-R826 VanDerWaalsContact C-N 3.3Å; L824-R826 PolarHBondContact O-N 3.29Å; R826-Q829 PolarHBondContact O-N 3.35Å; R826-F830 WeakPolarHBondContact O-CB 3.42Å; R826-F830 PolarHBondContact O-N 3.31Å
827N92Very high92.7Very high33 Ų3336.1 Ų36.118%0.17619%0.192CC..Hα-helixtrans-62.9-44.2174.5-173.174.8000111.6V521 D823 L824 W825 F830 W831V521-N827 HydrophobicContact CB-CB 4.48Å; V521-N827 HydrophobicContact CG2-CB 3.84Å; D823-N827 VanDerWaalsContact O-CB 3.3Å; D823-N827 WeakPolarHBondContact O-CB 3.45Å; D823-N827 PolarHBondContact O-N 2.8Å; L824-N827 WeakPolarHBondContact O-CB 3.45Å; L824-N827 PolarHBondContact O-N 3.17Å; W825-N827 VanDerWaalsContact C-N 3.33Å; W825-N827 PolarHBondContact O-N 3.31Å; N827-F830 PolarHBondContact O-N 2.95Å; N827-W831 WeakPolarHBondContact O-CB 3.08Å; N827-W831 PolarHBondContact O-N 3.04Å
828E91.8Very high92.8Very high75 Ų7535.5 Ų35.535%0.3519%0.188SC..Hα-helixtrans-62.7-44.4175.6-67.4-57.414600112.1L824 W825 F830 W831 V832L824-E828 WeakPolarHBondContact O-CG 3.42Å; L824-E828 PolarHBondContact O-N 3.39Å; W825-E828 PolarHBondContact O-N 2.61Å; E828-F830 VanDerWaalsContact C-N 3.31Å; E828-F830 PolarHBondContact O-N 3.39Å; E828-W831 WeakPolarHBondContact O-CB 3.41Å; E828-W831 PolarHBondContact O-N 3.34Å; E828-V832 WeakPolarHBondContact O-CG2 3.27Å; E828-V832 PolarHBondContact O-N 3.04Å
829Q92.9Very high93Very high4 Ų432.6 Ų32.62%0.01916%0.155CC..Hα-helixtrans-57.6-46.2174.4-69.9-175.7-46.200111.4W825 R826 V832 I833 L926 P930W825-Q829 HydrophobicContact CZ2-CG 4.36Å; W825-Q829 WeakPolarHBondContact O-CG 3.35Å; W825-Q829 PolarHBondContact O-N 2.75Å; R826-Q829 PolarHBondContact O-N 3.35Å; Q829-V832 PolarHBondContact O-N 2.96Å; Q829-I833 VanDerWaalsContact O-CG1 3.27Å; Q829-I833 WeakPolarHBondContact O-CG1 3.48Å; Q829-I833 PolarHBondContact O-N 3.13Å; Q829-L926 PolarHBondContact NE2-O 3.13Å; Q829-P930 HydrophobicContact CB-CG 4.07Å; Q829-P930 VanDerWaalsContact CD-CG 3.42Å; Q829-P930 HydrophobicContact CG-CG 4.29Å
830F92.9Very high93.2Very high16 Ų1632.9 Ų32.97%0.0716%0.156CC..Hα-helixtrans-69.7-34.4179.6-169.1-99.7000112.4Y515 A516 L715 R718 V722 R826 N827 E828 V832 I833 G834Y515-F830 WeakPolarHBondContact O-CD2 3.17Å; A516-F830 HydrophobicContact CB-CB 3.86Å; A516-F830 HydrophobicContact CB-CG 4.23Å; L715-F830 HydrophobicContact CD1-CE2 4.29Å; R718-F830 HydrophobicContact CG-CE1 4.46Å; R718-F830 HydrophobicContact CG-CE2 3.92Å; R718-F830 HydrophobicContact CG-CZ 3.56Å; V722-F830 HydrophobicContact CG2-CE1 3.82Å; V722-F830 HydrophobicContact CG2-CZ 3.96Å; R826-F830 WeakPolarHBondContact O-CB 3.42Å; R826-F830 PolarHBondContact O-N 3.31Å; N827-F830 PolarHBondContact O-N 2.95Å; E828-F830 VanDerWaalsContact C-N 3.31Å; E828-F830 PolarHBondContact O-N 3.39Å; F830-V832 VanDerWaalsContact C-N 3.34Å; F830-V832 PolarHBondContact O-N 3.35Å; F830-I833 PolarHBondContact O-N 3.01Å; F830-G834 PolarHBondContact O-N 3.37Å
831W93.7Very high93.2Very high83 Ų8333.4 Ų33.431%0.31415%0.152SC..Hα-helixtrans-59.5-43.7171.8172.883.5000111.5T766 L770 N827 E828 G835T766-W831 HydrophobicContact CG2-CZ2 3.95Å; L770-W831 HydrophobicContact CD1-CH2 4.06Å; L770-W831 HydrophobicContact CD1-CZ3 4.13Å; L770-W831 HydrophobicContact CD2-CH2 4.21Å; L770-W831 HydrophobicContact CD2-CZ3 4.31Å; N827-W831 WeakPolarHBondContact O-CB 3.08Å; N827-W831 PolarHBondContact O-N 3.04Å; E828-W831 WeakPolarHBondContact O-CB 3.41Å; E828-W831 PolarHBondContact O-N 3.34Å; W831-G835 WeakPolarHBondContact O-CA 3.37Å; W831-G835 PolarHBondContact O-N 3.25Å
832V95.6Very high93.3Very high1 Ų128 Ų281%0.00612%0.124CC..Hα-helixtrans-64.5-45.8174.6176.90000111.3E828 Q829 F830 G835 V836 H927 L928E828-V832 WeakPolarHBondContact O-CG2 3.27Å; E828-V832 PolarHBondContact O-N 3.04Å; Q829-V832 PolarHBondContact O-N 2.96Å; F830-V832 VanDerWaalsContact C-N 3.34Å; F830-V832 PolarHBondContact O-N 3.35Å; V832-G835 PolarHBondContact O-N 3.38Å; V832-V836 HydrophobicContact CG1-CG2 4.32Å; V832-V836 WeakPolarHBondContact O-CB 3.46Å; V832-V836 WeakPolarHBondContact O-CG2 3.44Å; V832-V836 PolarHBondContact O-N 3.37Å; V832-H927 HydrophobicContact CB-CB 4.15Å; V832-H927 HydrophobicContact CG1-CB 4.09Å; V832-H927 HydrophobicContact CG2-CB 4.15Å; V832-L928 HydrophobicContact CG1-CD2 4.42Å
833I93.5Very high93.5Very high2 Ų223.2 Ų23.21%0.0110%0.102CC..Hα-helixtrans-60.4-49.9179.2-67.6162.9000110.4L719 Q829 F830 V836 S837 L928 P930 F931L719-I833 HydrophobicContact CD2-CG2 4.28Å; Q829-I833 VanDerWaalsContact O-CG1 3.27Å; Q829-I833 WeakPolarHBondContact O-CG1 3.48Å; Q829-I833 PolarHBondContact O-N 3.13Å; F830-I833 PolarHBondContact O-N 3.01Å; I833-V836 PolarHBondContact O-N 3.36Å; I833-S837 WeakPolarHBondContact O-CB 3.4Å; I833-S837 PolarHBondContact O-N 2.94Å; I833-S837 VanDerWaalsContact O-N 3.09Å; I833-S837 PolarHBondContact O-OG 2.92Å; I833-L928 HydrophobicContact CG1-CD2 3.91Å; I833-P930 HydrophobicContact CD1-CB 4.28Å; I833-F931 HydrophobicContact CD1-CB 3.86Å; I833-F931 HydrophobicContact CG1-CB 4.08Å; I833-F931 HydrophobicContact CG2-CD2 4.48Å
834G93.5Very high93.5Very high1 Ų127.1 Ų27.11%0.0112%0.118CC..Hα-helixtrans-63.1-40.3177.600000112.4F830 S837 A838 H839F830-G834 PolarHBondContact O-N 3.37Å; G834-S837 CarbonylContact O-C 3.34Å; G834-S837 PolarHBondContact O-N 3Å; G834-A838 PolarHBondContact O-N 3.43Å; G834-H839 PolarHBondContact O-N 2.99Å
835G95.7Very high93.4Very high1 Ų129.8 Ų29.81%0.0113%0.13CC..Iπ-helixtrans-59.1-49.4175.500000113.1S767 W831 V832 S837 H839 L840S767-G835 WeakPolarHBondContact CB-O 3.46Å; W831-G835 WeakPolarHBondContact O-CA 3.37Å; W831-G835 PolarHBondContact O-N 3.25Å; V832-G835 PolarHBondContact O-N 3.38Å; G835-S837 VanDerWaalsContact C-N 3.32Å; G835-S837 PolarHBondContact O-N 2.95Å; G835-H839 WeakPolarHBondContact CA-ND1 3.21Å; G835-L840 PolarHBondContact O-N 3.19Å
836V95.8Very high93.1Very high1 Ų125.4 Ų25.41%0.00611%0.114CC..Iπ-helixtrans-72.5-25.2-178.9170.10000112.7L770 V771 V832 I833 P884 P885 L888L770-V836 HydrophobicContact CD2-CG2 4.36Å; L770-V836 HydrophobicContact CG-CG2 4.4Å; V771-V836 HydrophobicContact CG2-CB 4.37Å; V771-V836 HydrophobicContact CG2-CG1 4.39Å; V771-V836 HydrophobicContact CG2-CG2 4.24Å; V832-V836 HydrophobicContact CG1-CG2 4.32Å; V832-V836 WeakPolarHBondContact O-CB 3.46Å; V832-V836 WeakPolarHBondContact O-CG2 3.44Å; V832-V836 PolarHBondContact O-N 3.37Å; I833-V836 PolarHBondContact O-N 3.36Å; V836-P884 HydrophobicContact CG1-CB 4.14Å; V836-P884 WeakPolarHBondContact O-CB 3.4Å; V836-P885 HydrophobicContact CG1-CB 4.33Å; V836-P885 HydrophobicContact CG1-CG 3.95Å; V836-L888 HydrophobicContact CB-CD1 4.3Å; V836-L888 HydrophobicContact CG1-CD1 3.2Å; V836-L888 HydrophobicContact CG2-CD1 4.08Å
837S94.3Very high92.8Very high0 Ų027.1 Ų27.10%012%0.123CC..Iπ-helixtrans-107.1-90.7-177.858.10000112.6L719 I833 G834 G835 H839 L840 F841 L881L719-S837 WeakPolarHBondContact CD2-OG 3.47Å; I833-S837 WeakPolarHBondContact O-CB 3.4Å; I833-S837 PolarHBondContact O-N 2.94Å; I833-S837 VanDerWaalsContact O-N 3.09Å; I833-S837 PolarHBondContact O-OG 2.92Å; G834-S837 CarbonylContact O-C 3.34Å; G834-S837 PolarHBondContact O-N 3Å; G835-S837 VanDerWaalsContact C-N 3.32Å; G835-S837 PolarHBondContact O-N 2.95Å; S837-H839 PolarHBondContact O-N 2.89Å; S837-L840 WeakPolarHBondContact O-CB 3.25Å; S837-L840 PolarHBondContact O-N 3.46Å; S837-F841 WeakPolarHBondContact O-CD2 3.35Å; S837-F841 PolarHBondContact O-N 3.37Å; S837-F841 VanDerWaalsContact O-N 3.13Å; S837-L881 WeakPolarHBondContact CB-O 3.41Å
838A94.3Very high92.4Very high0 Ų030.6 Ų30.60%014%0.141CC..Iπ-helixtrans-56.7-46.5-170.500000112.8L719 V722 L723 G834 L840 F841 A842L719-A838 HydrophobicContact CD2-CB 4.41Å; V722-A838 HydrophobicContact CB-CB 4.29Å; V722-A838 HydrophobicContact CG1-CB 4.02Å; L723-A838 HydrophobicContact CB-CB 4.03Å; L723-A838 WeakPolarHBondContact CD1-O 3.42Å; G834-A838 PolarHBondContact O-N 3.43Å; A838-L840 PolarHBondContact O-N 2.81Å; A838-F841 PolarHBondContact O-N 3.18Å; A838-A842 WeakPolarHBondContact O-CB 3.16Å; A838-A842 PolarHBondContact O-N 2.77Å
839H96.7Very high91.9Very high12 Ų1229.3 Ų29.36%0.05613%0.134CC..Iπ-helixtrans-66.3-40.4-178.1-59.2172.4000111.4V722 Y763 P764 G834 G835 S837 A842 V843V722-H839 WeakPolarHBondContact CG1-NE2 3.4Å; Y763-H839 AromaticContact CD2-CE1 3.84Å; Y763-H839 AromaticContact CE2-CE1 3.55Å; Y763-H839 AromaticContact CE2-ND1 3.98Å; Y763-H839 AromaticContact CE2-NE2 3.56Å; P764-H839 HydrophobicContact CB-CB 4.37Å; G834-H839 PolarHBondContact O-N 2.99Å; G835-H839 WeakPolarHBondContact CA-ND1 3.21Å; S837-H839 PolarHBondContact O-N 2.89Å; H839-A842 PolarHBondContact O-N 3.4Å; H839-V843 VanDerWaalsContact O-CG2 3.31Å; H839-V843 WeakPolarHBondContact O-CG2 3.32Å; H839-V843 PolarHBondContact O-N 3.35Å
840L95.4Very high91.3Very high20 Ų2034 Ų3411%0.10516%0.157CC..Hα-helixtrans-59.9-50177.5-17470.2000111.1L768 V771 G835 S837 A838 A842 V843 F844 P884L768-L840 HydrophobicContact CD2-CD1 3.85Å; V771-L840 HydrophobicContact CG2-CD1 4.07Å; V771-L840 HydrophobicContact CG2-CD2 3.93Å; V771-L840 HydrophobicContact CG2-CG 4.4Å; G835-L840 PolarHBondContact O-N 3.19Å; S837-L840 WeakPolarHBondContact O-CB 3.25Å; S837-L840 PolarHBondContact O-N 3.46Å; A838-L840 PolarHBondContact O-N 2.81Å; L840-A842 PolarHBondContact O-N 2.87Å; L840-V843 PolarHBondContact O-N 2.88Å; L840-F844 HydrophobicContact CD1-CD2 4.31Å; L840-F844 HydrophobicContact CD1-CE2 3.61Å; L840-F844 HydrophobicContact CD1-CZ 4.36Å; L840-F844 HydrophobicContact CD2-CE2 4.39Å; L840-F844 HydrophobicContact CG-CD2 4.11Å; L840-F844 HydrophobicContact CG-CE2 3.73Å; L840-F844 WeakPolarHBondContact O-CD2 3.43Å; L840-F844 PolarHBondContact O-N 3.05Å; L840-P884 HydrophobicContact CD2-CB 4.38Å; L840-P884 HydrophobicContact CD2-CG 4.33Å
841F93.5Very high90.5Very high59 Ų5939.7 Ų39.726%0.25919%0.187SC..Hα-helixtrans-62.8-41.1176.6-86-81.3000112.3L723 S837 A838 V843 F844 Q845 T880 L881 P884L723-F841 HydrophobicContact CD1-CB 3.9Å; S837-F841 WeakPolarHBondContact O-CD2 3.35Å; S837-F841 PolarHBondContact O-N 3.37Å; S837-F841 VanDerWaalsContact O-N 3.13Å; A838-F841 PolarHBondContact O-N 3.18Å; F841-V843 PolarHBondContact O-N 3.5Å; F841-F844 PolarHBondContact O-N 2.87Å; F841-Q845 WeakPolarHBondContact O-CB 3.49Å; F841-Q845 WeakPolarHBondContact O-CG 3.5Å; F841-Q845 PolarHBondContact O-N 3.05Å; F841-T880 WeakPolarHBondContact CE2-O 3.49Å; F841-T880 WeakPolarHBondContact CZ-O 3.45Å; F841-L881 HydrophobicContact CB-CD2 3.89Å; F841-L881 HydrophobicContact CD2-CD2 3.57Å; F841-L881 HydrophobicContact CE2-CD2 4.2Å; F841-L881 HydrophobicContact CG-CD2 3.76Å; F841-P884 HydrophobicContact CD2-CG 4.47Å; F841-P884 HydrophobicContact CE2-CG 3.68Å; F841-P884 HydrophobicContact CZ-CG 4.43Å
842A93.4Very high89.6Confident0 Ų038.5 Ų38.50%020%0.196CC..Hα-helixtrans-60.7-42.6177.600000112.4L723 A726 L727 A838 H839 L840 Q845 G846L723-A842 HydrophobicContact CD1-CB 3.98Å; A726-A842 HydrophobicContact CB-CB 3.48Å; A726-A842 VanDerWaalsContact CB-CB 3.48Å; L727-A842 HydrophobicContact CB-CB 4.25Å; A838-A842 WeakPolarHBondContact O-CB 3.16Å; A838-A842 PolarHBondContact O-N 2.77Å; H839-A842 PolarHBondContact O-N 3.4Å; L840-A842 PolarHBondContact O-N 2.87Å; A842-Q845 PolarHBondContact O-N 3.23Å; A842-G846 PolarHBondContact O-N 2.75Å
843V94.6Very high88.2Confident0 Ų041.3 Ų41.30%023%0.225CC..Hα-helixtrans-62.7-48.2178.4169.80000110.7V730 P764 F765 L768 H839 L840 F841 Q845 G846 F847V730-V843 HydrophobicContact CG2-CG2 4.14Å; P764-V843 HydrophobicContact CB-CG2 3.9Å; P764-V843 WeakPolarHBondContact O-CG2 3.21Å; F765-V843 HydrophobicContact CD1-CG1 3.84Å; F765-V843 HydrophobicContact CD1-CG2 3.88Å; F765-V843 HydrophobicContact CE1-CG1 3.95Å; F765-V843 HydrophobicContact CE1-CG2 4.23Å; L768-V843 HydrophobicContact CD1-CG1 4.11Å; L768-V843 HydrophobicContact CG-CG1 4.36Å; H839-V843 VanDerWaalsContact O-CG2 3.31Å; H839-V843 WeakPolarHBondContact O-CG2 3.32Å; H839-V843 PolarHBondContact O-N 3.35Å; L840-V843 PolarHBondContact O-N 2.88Å; F841-V843 PolarHBondContact O-N 3.5Å; V843-Q845 PolarHBondContact O-N 2.98Å; V843-G846 PolarHBondContact O-N 3.26Å; V843-F847 HydrophobicContact CG1-CD2 3.74Å; V843-F847 HydrophobicContact CG1-CE2 3.52Å; V843-F847 WeakPolarHBondContact O-CD2 3.24Å; V843-F847 PolarHBondContact O-N 2.89Å
844F91.1Very high86.5Confident110 Ų11046.9 Ų46.948%0.48225%0.254SS..Hα-helixtrans-63.2-43.1177-72.2-59.4000112.3L768 L840 F841 G846 F847 L848L768-F844 HydrophobicContact CD2-CE2 4.48Å; L768-F844 HydrophobicContact CD2-CZ 4.06Å; L840-F844 HydrophobicContact CD1-CD2 4.31Å; L840-F844 HydrophobicContact CD1-CE2 3.61Å; L840-F844 HydrophobicContact CD1-CZ 4.36Å; L840-F844 HydrophobicContact CD2-CE2 4.39Å; L840-F844 HydrophobicContact CG-CD2 4.11Å; L840-F844 HydrophobicContact CG-CE2 3.73Å; L840-F844 WeakPolarHBondContact O-CD2 3.43Å; L840-F844 PolarHBondContact O-N 3.05Å; F841-F844 PolarHBondContact O-N 2.87Å; F844-G846 PolarHBondContact O-N 2.93Å; F844-F847 PolarHBondContact O-N 3.36Å; F844-L848 WeakPolarHBondContact O-CB 3.46Å; F844-L848 VanDerWaalsContact O-CG 3.28Å; F844-L848 WeakPolarHBondContact O-CG 3.36Å; F844-L848 PolarHBondContact O-N 2.86Å
845Q88.6Confident84.7Confident73 Ų7352.7 Ų52.734%0.34129%0.285SS..Hα-helixtrans-62.9-40.7175.8-76.9-177.4-21.100112.3L727 F841 A842 V843 L848 K849L727-Q845 HydrophobicContact CD1-CB 4.02Å; F841-Q845 WeakPolarHBondContact O-CB 3.49Å; F841-Q845 WeakPolarHBondContact O-CG 3.5Å; F841-Q845 PolarHBondContact O-N 3.05Å; A842-Q845 PolarHBondContact O-N 3.23Å; V843-Q845 PolarHBondContact O-N 2.98Å; Q845-L848 PolarHBondContact O-N 2.84Å; Q845-K849 WeakPolarHBondContact O-CB 3.4Å; Q845-K849 PolarHBondContact O-N 3.02Å
846G85Confident82.8Confident3 Ų354.1 Ų54.13%0.03129%0.293CS..Hα-helixtrans-63.9-42.9177.700000112.6A842 V843 F844 K849 M850A842-G846 PolarHBondContact O-N 2.75Å; V843-G846 PolarHBondContact O-N 3.26Å; F844-G846 PolarHBondContact O-N 2.93Å; G846-K849 PolarHBondContact O-N 3.46Å; G846-M850 PolarHBondContact O-N 3.17Å
847F85.2Confident80.6Confident76 Ų7661.7 Ų61.733%0.33333%0.334SS..Hα-helixtrans-65.1-42.2173.4-77.3-61.3000112.5F765 V843 F844 K849 M850 L851F765-F847 HydrophobicContact CD1-CE2 4.42Å; F765-F847 AromaticContact CE1-CE2 3.8Å; F765-F847 HydrophobicContact CE1-CE2 3.8Å; F765-F847 AromaticContact CE1-CZ 3.78Å; F765-F847 HydrophobicContact CE1-CZ 3.78Å; V843-F847 HydrophobicContact CG1-CD2 3.74Å; V843-F847 HydrophobicContact CG1-CE2 3.52Å; V843-F847 WeakPolarHBondContact O-CD2 3.24Å; V843-F847 PolarHBondContact O-N 2.89Å; F844-F847 PolarHBondContact O-N 3.36Å; F847-K849 VanDerWaalsContact C-N 3.33Å; F847-K849 PolarHBondContact O-N 2.94Å; F847-M850 HydrophobicContact CD1-CE 4.41Å; F847-M850 PolarHBondContact O-N 2.82Å; F847-L851 WeakPolarHBondContact O-CB 3.23Å; F847-L851 WeakPolarHBondContact O-CG 3.32Å; F847-L851 PolarHBondContact O-N 2.76Å
848L83Confident78.2Confident105 Ų10565.1 Ų65.155%0.5535%0.349SS..Hα-helixtrans-62.1-41.3175.3-73.4173000111.7F844 Q845 L851 A852F844-L848 WeakPolarHBondContact O-CB 3.46Å; F844-L848 VanDerWaalsContact O-CG 3.28Å; F844-L848 WeakPolarHBondContact O-CG 3.36Å; F844-L848 PolarHBondContact O-N 2.86Å; Q845-L848 PolarHBondContact O-N 2.84Å; L848-L851 PolarHBondContact O-N 3.03Å; L848-A852 WeakPolarHBondContact O-CB 3.43Å; L848-A852 PolarHBondContact O-N 3.24Å
849K81.3Confident76Confident48 Ų4869.5 Ų69.521%0.20938%0.375CS..Hα-helixtrans-62.3-42.7175.8177.2163.8-179.1177.50111.7E731 Q845 G846 F847 G853 L854 D855 T856E731-K849 WeakPolarHBondContact OE1-CE 3.39Å; E731-K849 IonicContact OE1-NZ 2.82Å; E731-K849 PolarHBondContact OE1-NZ 2.95Å; Q845-K849 WeakPolarHBondContact O-CB 3.4Å; Q845-K849 PolarHBondContact O-N 3.02Å; G846-K849 PolarHBondContact O-N 3.46Å; F847-K849 VanDerWaalsContact C-N 3.33Å; F847-K849 PolarHBondContact O-N 2.94Å; K849-G853 WeakPolarHBondContact O-CA 3.24Å; K849-G853 PolarHBondContact O-N 3.27Å; K849-L854 VanDerWaalsContact CG-O 3.29Å; K849-L854 WeakPolarHBondContact CG-O 3.46Å; K849-D855 IonicContact NZ-OD1 3.57Å; K849-D855 PolarHBondContact NZ-OD1 3.49Å; K849-T856 HydrophobicContact CD-CG2 4.32Å
850M79.5Confident73.4Confident104 Ų10470.2 Ų70.251%0.51238%0.381SS..Hα-helixtrans-65.8-43.1177.2-177.4-82.2-71.400112.4L734 G846 F847L734-M850 HydrophobicContact CD1-CB 3.84Å; L734-M850 HydrophobicContact CD1-CG 4.26Å; G846-M850 PolarHBondContact O-N 3.17Å; F847-M850 HydrophobicContact CD1-CE 4.41Å; F847-M850 PolarHBondContact O-N 2.82Å
851L77.9Confident71.2Confident134 Ų13470.1 Ų70.170%0.70238%0.381SS*.Hα-helixtrans-76-34.6-177.7-68.7170.9000113.3F847 L848F847-L851 WeakPolarHBondContact O-CB 3.23Å; F847-L851 WeakPolarHBondContact O-CG 3.32Å; F847-L851 PolarHBondContact O-N 2.76Å; L848-L851 PolarHBondContact O-N 3.03Å
852A72.9Confident69.1Low59 Ų5969.4 Ų69.449%0.48838%0.383SS..Hα-helixtrans-112.3-6.1-171.400000114.5L848 L854L848-A852 WeakPolarHBondContact O-CB 3.43Å; L848-A852 PolarHBondContact O-N 3.24Å; A852-L854 HydrophobicContact CB-CD1 3.91Å; A852-L854 HydrophobicContact CB-CG 3.91Å; A852-L854 PolarHBondContact O-N 2.81Å
853G67.2Low67.2Low60 Ų6071.4 Ų71.462%0.61939%0.392SS*.  trans64.615.2-176.600000114.5K849 D855K849-G853 WeakPolarHBondContact O-CA 3.24Å; K849-G853 PolarHBondContact O-N 3.27Å; G853-D855 PolarHBondContact O-N 3.25Å
854L57.7Low64.9Low118 Ų11873.8 Ų73.862%0.61841%0.407SS*.  trans-75.9115.6-176.5-68.7170000110.7K849 A852K849-L854 VanDerWaalsContact CG-O 3.29Å; K849-L854 WeakPolarHBondContact CG-O 3.46Å; A852-L854 HydrophobicContact CB-CD1 3.91Å; A852-L854 HydrophobicContact CB-CG 3.91Å; A852-L854 PolarHBondContact O-N 2.81Å
855D55.5Low62.6Low124 Ų12471.5 Ų71.566%0.66341%0.408SS*.PPolyproline II helixtrans-68.5132.9173.9-85.8-36.1000111.8K849 G853K849-D855 IonicContact NZ-OD1 3.57Å; K849-D855 PolarHBondContact NZ-OD1 3.49Å; G853-D855 PolarHBondContact O-N 3.25Å
856T55.1Low60.2Low30 Ų3072.9 Ų72.918%0.18442%0.418CS..PPolyproline II helixtrans-82.7123.217944.50000110.1L727 K849 F858L727-T856 HydrophobicContact CD1-CG2 4.49Å; L727-T856 HydrophobicContact CD2-CG2 3.92Å; K849-T856 HydrophobicContact CD-CG2 4.32Å; T856-F858 PolarHBondContact O-N 3.01Å
857N50.1Low58.2Low160 Ų16080 Ų8086%0.85646%0.455SS*.PPolyproline II helixtrans-63.6120176.8-78.3-26000110.5
858F44.5Very low56.2Low73 Ų7382.9 Ų82.932%0.3247%0.473SS..PPolyproline II helixtrans-86.8126.5176.2174.7-94.2000110.1K445 I680 T856 V860K445-F858 HydrophobicContact CD-CB 4.27Å; K445-F858 HydrophobicContact CD-CD1 4.18Å; K445-F858 HydrophobicContact CD-CD2 4.49Å; K445-F858 HydrophobicContact CD-CG 4.09Å; K445-F858 VanDerWaalsContact NZ-CB 3.27Å; I680-F858 HydrophobicContact CG2-CD2 4.06Å; I680-F858 HydrophobicContact CG2-CE2 4.14Å; T856-F858 PolarHBondContact O-N 3.01Å; F858-V860 HydrophobicContact CE1-CG2 3.73Å; F858-V860 HydrophobicContact CZ-CG2 4.45Å
859T47.3Very low54.5Low91 Ų9185.2 Ų85.256%0.55848%0.481SS*.  trans-119.6126.8174.146.20000109.7
860V43.8Very low52.9Low28 Ų2888 Ų8817%0.1749%0.493CS..PPolyproline II helixtrans-68.3130.9172.9178.60000108.4V270 K274 E275 F858V270-V860 HydrophobicContact CB-CG2 4.49Å; V270-V860 HydrophobicContact CG1-CG2 4.33Å; K274-V860 HydrophobicContact CB-CG1 4.46Å; K274-V860 HydrophobicContact CD-CB 4.01Å; E275-V860 HydrophobicContact CG-CG1 4.45Å; E275-V860 WeakPolarHBondContact OE1-CG1 3.36Å; F858-V860 HydrophobicContact CE1-CG2 3.73Å; F858-V860 HydrophobicContact CZ-CG2 4.45Å
861T48Very low51.4Low18 Ų1885 Ų8511%0.1149%0.49CS..PPolyproline II helixtrans-85.1125.7-179.1-35.10000109D717 R724 K863D717-T861 HydrophobicContact CB-CG2 3.58Å; R724-T861 PolarHBondContact NH2-OG1 2.87Å; T861-K863 PolarHBondContact O-N 2.95Å
862S49Very low50.2Low44 Ų4481.2 Ų81.231%0.30847%0.469SS..PPolyproline II helixtrans-64.2130.5177.452.50000110.5
863K54.4Low49.2Very low42 Ų4279 Ų7918%0.18345%0.448CS..  trans-114.626.1176.2-64.1-179.6179.4174.30112.5D472 T861 A865D472-K863 HydrophobicContact CB-CD 4.27Å; D472-K863 IonicContact OD1-NZ 3.08Å; D472-K863 PolarHBondContact OD1-NZ 3.12Å; D472-K863 WeakPolarHBondContact OD2-CD 3.36Å; D472-K863 WeakPolarHBondContact OD2-CE 3.4Å; D472-K863 IonicContact OD2-NZ 2.62Å; D472-K863 PolarHBondContact OD2-NZ 3.45Å; T861-K863 PolarHBondContact O-N 2.95Å; K863-A865 PolarHBondContact O-N 3.27Å
864T46.6Very low48.5Very low50 Ų5081.3 Ų81.331%0.30744%0.439SS..  trans-63123.7178.546.30000110.1P276 I713P276-T864 HydrophobicContact CG-CG2 3.82Å; I713-T864 VanDerWaalsContact CD1-O 3.23Å; I713-T864 WeakPolarHBondContact CD1-O 3.33Å
865A41.9Very low48.4Very low61 Ų6178.3 Ų78.350%0.50442%0.423SS..  trans-102.794.3166.300000107.2I713 K863I713-A865 HydrophobicContact CD1-CB 3.93Å; K863-A865 PolarHBondContact O-N 3.27Å
866D38.6Very low48.5Very low102 Ų10273.8 Ų73.855%0.54540%0.4SS..  trans-75.4138.6167.8-77.2-9.7000108.5L868D866-L868 PolarHBondContact O-N 2.99Å
867D43.6Very low49.1Very low154 Ų15477.2 Ų77.282%0.82441%0.412SS*.SBendtrans-60.97.9-172.8-79.5-34.9000115.6E869D867-E869 PolarHBondContact O-N 3.21Å
868L41.9Very low50Low135 Ų13577.7 Ų77.771%0.70740%0.402SS*.SBendtrans-8085.9175.2-79.3159.4000110.6D866 F870 G871D866-L868 PolarHBondContact O-N 2.99Å; L868-F870 PolarHBondContact O-N 3.31Å; L868-G871 PolarHBondContact O-N 2.98Å
869E47.3Very low51.7Low155 Ų15575.7 Ų75.772%0.72440%0.396SS*.THydrogen-bonded Turntrans-9.193.4163.5-103.7-178.9170.300114D867 G871D867-E869 PolarHBondContact O-N 3.21Å; E869-G871 PolarHBondContact O-N 2.89Å
870F49.2Very low53.5Low105 Ų10575.7 Ų75.746%0.46140%0.396SS..THydrogen-bonded Turntrans54.7-0169.4-51.2-77.6000118.3D510 L868 E872 L873 Y874D510-F870 HydrophobicContact CB-CD1 4.19Å; D510-F870 HydrophobicContact CB-CE1 4.26Å; L868-F870 PolarHBondContact O-N 3.31Å; F870-E872 VanDerWaalsContact C-N 3.29Å; F870-E872 PolarHBondContact O-N 2.85Å; F870-L873 HydrophobicContact CB-CD1 3.78Å; F870-L873 HydrophobicContact CD1-CD1 3.56Å; F870-L873 HydrophobicContact CG-CD1 4.15Å; F870-L873 WeakPolarHBondContact O-CB 3.49Å; F870-L873 PolarHBondContact O-N 3.32Å; F870-Y874 WeakPolarHBondContact O-CD2 3.4Å
871G47.1Very low55.6Low43 Ų4374.6 Ų74.644%0.44339%0.389SS..G310 helixtrans-63.8-34-175.600000113.1L868 E869 Y874L868-G871 PolarHBondContact O-N 2.98Å; E869-G871 PolarHBondContact O-N 2.89Å; G871-Y874 PolarHBondContact O-N 3.13Å
872E53.4Low57.5Low54 Ų5473.7 Ų73.725%0.25238%0.384SS..G310 helixtrans-74.2-22.7179.7-62.2-159.8144.700114.2I713 F870 Y874 I875I713-E872 HydrophobicContact CG2-CB 4.06Å; F870-E872 VanDerWaalsContact C-N 3.29Å; F870-E872 PolarHBondContact O-N 2.85Å; E872-Y874 PolarHBondContact O-N 3.22Å; E872-I875 HydrophobicContact CB-CD1 4.23Å; E872-I875 HydrophobicContact CG-CD1 4.1Å; E872-I875 WeakPolarHBondContact O-CB 3.41Å; E872-I875 PolarHBondContact O-N 3Å
873L50.9Low59.5Low11 Ų1176 Ų766%0.05839%0.392CS..G310 helixtrans-60.2-22.5176-82.6112.3000112.6D510 R514 I713 F870D510-L873 HydrophobicContact CB-CD2 4Å; R514-L873 PolarHBondContact NH2-O 2.99Å; I713-L873 HydrophobicContact CG2-CB 4.38Å; I713-L873 HydrophobicContact CG2-CD1 3.82Å; I713-L873 HydrophobicContact CG2-CG 3.58Å; I713-L873 WeakPolarHBondContact O-CD2 3.3Å; I713-L873 VanDerWaalsContact O-CG 3.31Å; I713-L873 WeakPolarHBondContact O-CG 3.36Å; F870-L873 HydrophobicContact CB-CD1 3.78Å; F870-L873 HydrophobicContact CD1-CD1 3.56Å; F870-L873 HydrophobicContact CG-CD1 4.15Å; F870-L873 WeakPolarHBondContact O-CB 3.49Å; F870-L873 PolarHBondContact O-N 3.32Å
874Y53.3Low61.3Low110 Ų11075 Ų7543%0.43139%0.39SS..G310 helixtrans-94.6-2.7-178.9-62.5-76.7000113.4F870 G871 E872 V876 G937F870-Y874 WeakPolarHBondContact O-CD2 3.4Å; G871-Y874 PolarHBondContact O-N 3.13Å; E872-Y874 PolarHBondContact O-N 3.22Å; Y874-V876 PolarHBondContact O-N 2.77Å; Y874-G937 VanDerWaalsContact CB-O 3.31Å; Y874-G937 WeakPolarHBondContact CB-O 3.38Å; Y874-G937 WeakPolarHBondContact CD1-O 3.46Å
875I54.4Low63.5Low54 Ų5472.6 Ų72.628%0.27738%0.375SS..  trans-80.7101.7177.6-60175.5000108.5N714 E872N714-I875 WeakPolarHBondContact CB-O 3.47Å; E872-I875 HydrophobicContact CB-CD1 4.23Å; E872-I875 HydrophobicContact CG-CD1 4.1Å; E872-I875 WeakPolarHBondContact O-CB 3.41Å; E872-I875 PolarHBondContact O-N 3Å
876V58.2Low65.8Low30 Ų3070.9 Ų70.918%0.18236%0.358CS..  trans-89.4114.6168.3179.40000108.7Y874 L882 G934Y874-V876 PolarHBondContact O-N 2.77Å; V876-L882 HydrophobicContact CG1-CD1 3.53Å; V876-G934 WeakPolarHBondContact CG2-O 3.38Å
877K67.8Low68.4Low101 Ų10169.2 Ų69.244%0.43935%0.354SS..  trans-82.1117.2166.9-63.1174-174.4164.60107.3S716 D717 T879S716-K877 PolarHBondContact OG-N 2.75Å; S716-K877 VanDerWaalsContact OG-N 3.09Å; S716-K877 PolarHBondContact OG-O 3.36Å; D717-K877 IonicContact OD1-NZ 3.95Å; D717-K877 IonicContact OD2-NZ 3.73Å; K877-T879 PolarHBondContact O-N 3.27Å
878W69.8Low70.9Confident170 Ų17062.2 Ų62.264%0.64432%0.317SS*.  trans-62.3123.3177.5-90.397000110.3L882 L935W878-L882 HydrophobicContact CD2-CD1 4.42Å; W878-L882 HydrophobicContact CE3-CB 4.3Å; W878-L882 HydrophobicContact CE3-CD1 4.19Å; W878-L882 HydrophobicContact CZ3-CB 4.2Å; W878-L935 HydrophobicContact CH2-CD1 4.16Å; W878-L935 HydrophobicContact CZ2-CD1 3.99Å; W878-L935 HydrophobicContact CZ2-CD2 4.2Å; W878-L935 HydrophobicContact CZ2-CG 4.31Å
879T79.4Confident73.2Confident32 Ų3256.3 Ų56.320%0.19629%0.286CS..  trans-133.8161.117762.20000109.5K877 L881 L882K877-T879 PolarHBondContact O-N 3.27Å; T879-L881 PolarHBondContact O-N 2.96Å; T879-L881 VanDerWaalsContact O-N 3.15Å; T879-L882 PolarHBondContact O-N 3.25Å
880T85.3Confident75.3Confident91 Ų9153.5 Ų53.556%0.55828%0.275SS*.G310 helixtrans-58.5-25.2175.247.30000112.7F841 L882 I883F841-T880 WeakPolarHBondContact CE2-O 3.49Å; F841-T880 WeakPolarHBondContact CZ-O 3.45Å; T880-L882 PolarHBondContact O-N 2.79Å; T880-I883 HydrophobicContact CG2-CD1 4.3Å; T880-I883 WeakPolarHBondContact O-CB 3.33Å; T880-I883 WeakPolarHBondContact O-CG1 3.19Å; T880-I883 PolarHBondContact O-N 3.45Å
881L87.5Confident77.5Confident4 Ų451.4 Ų51.42%0.02127%0.268CS..G310 helixtrans-62.3-25.2176-57.9179.5000113.2L719 L723 S837 F841 T879 I883 P885L719-L881 HydrophobicContact CB-CD1 4.12Å; L723-L881 HydrophobicContact CD1-CD2 4.25Å; L723-L881 HydrophobicContact CD2-CD1 4.2Å; L723-L881 HydrophobicContact CD2-CD2 4.19Å; S837-L881 WeakPolarHBondContact CB-O 3.41Å; F841-L881 HydrophobicContact CB-CD2 3.89Å; F841-L881 HydrophobicContact CD2-CD2 3.57Å; F841-L881 HydrophobicContact CE2-CD2 4.2Å; F841-L881 HydrophobicContact CG-CD2 3.76Å; T879-L881 PolarHBondContact O-N 2.96Å; T879-L881 VanDerWaalsContact O-N 3.15Å; L881-I883 VanDerWaalsContact C-N 3.35Å; L881-P885 WeakPolarHBondContact O-CD 3.3Å
882L88.3Confident79.7Confident0 Ų049.3 Ų49.30%025%0.247CC..G310 helixtrans-83.6-12-179.5-49.7180000112.8L719 V876 W878 T879 T880 T886 F931L719-L882 HydrophobicContact CD1-CD2 3.55Å; V876-L882 HydrophobicContact CG1-CD1 3.53Å; W878-L882 HydrophobicContact CD2-CD1 4.42Å; W878-L882 HydrophobicContact CE3-CB 4.3Å; W878-L882 HydrophobicContact CE3-CD1 4.19Å; W878-L882 HydrophobicContact CZ3-CB 4.2Å; T879-L882 PolarHBondContact O-N 3.25Å; T880-L882 PolarHBondContact O-N 2.79Å; L882-T886 VanDerWaalsContact O-CB 3.32Å; L882-T886 WeakPolarHBondContact O-CB 3.31Å; L882-T886 PolarHBondContact O-N 2.84Å; L882-T886 VanDerWaalsContact O-N 3.15Å; L882-T886 PolarHBondContact O-OG1 2.85Å; L882-F931 HydrophobicContact CB-CE2 4.23Å; L882-F931 HydrophobicContact CB-CZ 4.25Å; L882-F931 HydrophobicContact CD2-CE2 3.76Å; L882-F931 HydrophobicContact CG-CE2 4.49Å
883I89.9Confident81.4Confident91 Ų9150.3 Ų50.347%0.46725%0.253SS..Hα-helixtrans-62.3-53.7-176.9-61.7170.2000111.2T880 L881 T886 S887T880-I883 HydrophobicContact CG2-CD1 4.3Å; T880-I883 WeakPolarHBondContact O-CB 3.33Å; T880-I883 WeakPolarHBondContact O-CG1 3.19Å; T880-I883 PolarHBondContact O-N 3.45Å; L881-I883 VanDerWaalsContact C-N 3.35Å; I883-T886 PolarHBondContact O-N 3.36Å; I883-S887 PolarHBondContact O-N 3.5Å; I883-S887 PolarHBondContact O-OG 3.42Å; I883-S887 VanDerWaalsContact O-OG 3.11Å
884P93.4Very high83.3Confident22 Ų2253.6 Ų53.614%0.14327%0.274CS..Hα-helixtrans-62.6-46.6-176.5-16.628.3000113.9V836 L840 F841 T886 S887 L888V836-P884 HydrophobicContact CG1-CB 4.14Å; V836-P884 WeakPolarHBondContact O-CB 3.4Å; L840-P884 HydrophobicContact CD2-CB 4.38Å; L840-P884 HydrophobicContact CD2-CG 4.33Å; F841-P884 HydrophobicContact CD2-CG 4.47Å; F841-P884 HydrophobicContact CE2-CG 3.68Å; F841-P884 HydrophobicContact CZ-CG 4.43Å; P884-T886 VanDerWaalsContact C-N 3.31Å; P884-T886 PolarHBondContact O-N 2.99Å; P884-S887 PolarHBondContact O-N 2.66Å; P884-L888 WeakPolarHBondContact O-CB 3.42Å; P884-L888 PolarHBondContact O-N 3.05Å
885P92.6Very high85Confident0 Ų048.4 Ų48.40%025%0.253CS..Hα-helixtrans-59.5-39.6175.3-23.532.1000113.2V836 L881 L888 L889 L928 F931V836-P885 HydrophobicContact CG1-CB 4.33Å; V836-P885 HydrophobicContact CG1-CG 3.95Å; L881-P885 WeakPolarHBondContact O-CD 3.3Å; P885-L888 PolarHBondContact O-N 3.35Å; P885-L889 VanDerWaalsContact O-CB 3.32Å; P885-L889 WeakPolarHBondContact O-CB 3.4Å; P885-L889 PolarHBondContact O-N 3.32Å; P885-L928 HydrophobicContact CB-CD2 4.4Å; P885-F931 HydrophobicContact CB-CD1 4.13Å; P885-F931 HydrophobicContact CB-CD2 4.19Å; P885-F931 HydrophobicContact CB-CE1 3.87Å; P885-F931 HydrophobicContact CB-CE2 3.91Å; P885-F931 HydrophobicContact CB-CG 4.31Å; P885-F931 HydrophobicContact CB-CZ 3.77Å; P885-F931 HydrophobicContact CG-CE2 4.35Å
886T90.2Very high86.7Confident24 Ų2447 Ų4715%0.14725%0.247CC..Hα-helixtrans-65-46.6178.3-53.90000111L882 I883 P884 L888 L889 I890 F931L882-T886 VanDerWaalsContact O-CB 3.32Å; L882-T886 WeakPolarHBondContact O-CB 3.31Å; L882-T886 PolarHBondContact O-N 2.84Å; L882-T886 VanDerWaalsContact O-N 3.15Å; L882-T886 PolarHBondContact O-OG1 2.85Å; I883-T886 PolarHBondContact O-N 3.36Å; P884-T886 VanDerWaalsContact C-N 3.31Å; P884-T886 PolarHBondContact O-N 2.99Å; T886-L888 PolarHBondContact O-N 3.16Å; T886-L889 PolarHBondContact O-N 2.81Å; T886-I890 HydrophobicContact CG2-CD1 3.89Å; T886-I890 WeakPolarHBondContact O-CG1 3.44Å; T886-I890 PolarHBondContact O-N 3.11Å; T886-F931 WeakPolarHBondContact OG1-CZ 3.11Å
887S92.8Very high88.1Confident67 Ų6748 Ų4847%0.46925%0.253SS..Hα-helixtrans-61.2-43.9177.2-62.80000112.1I883 P884 L889 I890 I891I883-S887 PolarHBondContact O-N 3.5Å; I883-S887 PolarHBondContact O-OG 3.42Å; I883-S887 VanDerWaalsContact O-OG 3.11Å; P884-S887 PolarHBondContact O-N 2.66Å; S887-L889 VanDerWaalsContact C-N 3.33Å; S887-L889 PolarHBondContact O-N 2.93Å; S887-I890 PolarHBondContact O-N 2.95Å; S887-I891 WeakPolarHBondContact O-CB 3.23Å; S887-I891 WeakPolarHBondContact O-CG2 3.41Å; S887-I891 PolarHBondContact O-N 3.01Å
888L95.1Very high88.8Confident8 Ų845 Ų454%0.04225%0.247CC..Hα-helixtrans-63.4-37.6176.6-95.2152.9000112.8V771 C774 T775 V836 P884 P885 T886 I891 N892 L928V771-L888 HydrophobicContact CG1-CD1 4.37Å; C774-L888 HydrophobicContact CB-CD2 3.7Å; C774-L888 WeakPolarHBondContact O-CD2 3.3Å; T775-L888 WeakPolarHBondContact OG1-CD2 3.34Å; V836-L888 HydrophobicContact CB-CD1 4.3Å; V836-L888 HydrophobicContact CG1-CD1 3.2Å; V836-L888 HydrophobicContact CG2-CD1 4.08Å; P884-L888 WeakPolarHBondContact O-CB 3.42Å; P884-L888 PolarHBondContact O-N 3.05Å; P885-L888 PolarHBondContact O-N 3.35Å; T886-L888 PolarHBondContact O-N 3.16Å; L888-I891 WeakPolarHBondContact O-CG2 3.48Å; L888-N892 WeakPolarHBondContact O-CB 3.24Å; L888-N892 PolarHBondContact O-N 2.81Å; L888-N892 PolarHBondContact O-ND2 2.86Å; L888-L928 HydrophobicContact CB-CD1 4.24Å
889L92Very high89.5Confident10 Ų1037.1 Ų37.15%0.05222%0.219CC..Hα-helixtrans-67.4-46.9176.4-173.166.5000111.2P885 T886 S887 L893 I925 L928 L932P885-L889 VanDerWaalsContact O-CB 3.32Å; P885-L889 WeakPolarHBondContact O-CB 3.4Å; P885-L889 PolarHBondContact O-N 3.32Å; T886-L889 PolarHBondContact O-N 2.81Å; S887-L889 VanDerWaalsContact C-N 3.33Å; S887-L889 PolarHBondContact O-N 2.93Å; L889-L893 HydrophobicContact CD1-CD1 4.42Å; L889-L893 HydrophobicContact CG-CD1 4.07Å; L889-L893 WeakPolarHBondContact O-CB 3.47Å; L889-L893 WeakPolarHBondContact O-CG 3.46Å; L889-L893 PolarHBondContact O-N 2.73Å; L889-I925 HydrophobicContact CD1-CB 4.48Å; L889-I925 HydrophobicContact CD1-CG1 4.33Å; L889-I925 HydrophobicContact CD1-CG2 4.12Å; L889-L928 HydrophobicContact CB-CD1 4.42Å; L889-L928 HydrophobicContact CD1-CB 4.17Å; L889-L932 HydrophobicContact CD2-CB 3.93Å; L889-L932 HydrophobicContact CD2-CD1 3.76Å; L889-L932 HydrophobicContact CD2-CD2 4.37Å; L889-L932 HydrophobicContact CD2-CG 4.2Å
890I91.2Very high89.8Confident97 Ų9739.8 Ų39.850%0.49723%0.228SC..Hα-helixtrans-63.5-48.7179.6-67.3168.5000110.6T886 S887 N892 L893 V894T886-I890 HydrophobicContact CG2-CD1 3.89Å; T886-I890 WeakPolarHBondContact O-CG1 3.44Å; T886-I890 PolarHBondContact O-N 3.11Å; S887-I890 PolarHBondContact O-N 2.95Å; I890-N892 VanDerWaalsContact C-N 3.33Å; I890-N892 PolarHBondContact O-N 2.92Å; I890-L893 PolarHBondContact O-N 3.17Å; I890-V894 HydrophobicContact CG2-CG2 4.2Å; I890-V894 WeakPolarHBondContact O-CB 3.2Å; I890-V894 VanDerWaalsContact O-CG2 3.31Å; I890-V894 WeakPolarHBondContact O-CG2 3.44Å; I890-V894 PolarHBondContact O-N 2.83Å
891I94.2Very high89.6Confident60 Ų6035.8 Ų35.831%0.30820%0.204SC..Hα-helixtrans-65.1-36.5-176.9-159.7175.4000112A778 L782 S887 L888 G895A778-I891 HydrophobicContact CB-CG1 4.1Å; A778-I891 HydrophobicContact CB-CG2 4.06Å; L782-I891 HydrophobicContact CD1-CG1 4.49Å; S887-I891 WeakPolarHBondContact O-CB 3.23Å; S887-I891 WeakPolarHBondContact O-CG2 3.41Å; S887-I891 PolarHBondContact O-N 3.01Å; L888-I891 WeakPolarHBondContact O-CG2 3.48Å; I891-G895 PolarHBondContact O-N 2.89Å
892N93.7Very high89.2Confident0 Ų038.2 Ų38.20%022%0.217CC..Hα-helixtrans-69.7-41.2174.9-84.2-75.8000111.7C774 L888 I890 G895 V896 I925C774-N892 PolarHBondContact O-ND2 3.21Å; L888-N892 WeakPolarHBondContact O-CB 3.24Å; L888-N892 PolarHBondContact O-N 2.81Å; L888-N892 PolarHBondContact O-ND2 2.86Å; I890-N892 VanDerWaalsContact C-N 3.33Å; I890-N892 PolarHBondContact O-N 2.92Å; N892-G895 PolarHBondContact O-N 2.86Å; N892-V896 VanDerWaalsContact O-CG2 3.32Å; N892-V896 WeakPolarHBondContact O-CG2 3.43Å; N892-V896 PolarHBondContact O-N 3.15Å; N892-I925 HydrophobicContact CB-CD1 4.16Å; N892-I925 HydrophobicContact CB-CG1 3.99Å
893L89.8Confident88.8Confident74 Ų7438.4 Ų38.439%0.38722%0.218SC..Hα-helixtrans-60.6-48.7174.4-82.9163.1000111.8L889 I890 G895 V896 V897 I925L889-L893 HydrophobicContact CD1-CD1 4.42Å; L889-L893 HydrophobicContact CG-CD1 4.07Å; L889-L893 WeakPolarHBondContact O-CB 3.47Å; L889-L893 WeakPolarHBondContact O-CG 3.46Å; L889-L893 PolarHBondContact O-N 2.73Å; I890-L893 PolarHBondContact O-N 3.17Å; L893-G895 VanDerWaalsContact C-N 3.33Å; L893-G895 PolarHBondContact O-N 3.28Å; L893-V896 PolarHBondContact O-N 2.79Å; L893-V897 WeakPolarHBondContact O-CG2 3.43Å; L893-V897 PolarHBondContact O-N 3.26Å; L893-V897 VanDerWaalsContact O-N 3.1Å; L893-I925 HydrophobicContact CD2-CD1 4.2Å; L893-I925 HydrophobicContact CG-CD1 4.19Å
894V89.5Confident88.4Confident81 Ų8138.6 Ų38.649%0.49122%0.22SC..Hα-helixtrans-61.1-43.3176.2172.10000110.7I890 V896 V897 A898I890-V894 HydrophobicContact CG2-CG2 4.2Å; I890-V894 WeakPolarHBondContact O-CB 3.2Å; I890-V894 VanDerWaalsContact O-CG2 3.31Å; I890-V894 WeakPolarHBondContact O-CG2 3.44Å; I890-V894 PolarHBondContact O-N 2.83Å; V894-V896 PolarHBondContact O-N 3.44Å; V894-V897 PolarHBondContact O-N 2.95Å; V894-A898 WeakPolarHBondContact O-CB 3.34Å; V894-A898 PolarHBondContact O-N 2.93Å
895G89.8Confident87.8Confident0 Ų041.3 Ų41.30%023%0.233CC..Hα-helixtrans-58.1-45.3175.800000112.5L781 I891 N892 L893 A898 G899L781-G895 VanDerWaalsContact CB-O 3.32Å; L781-G895 WeakPolarHBondContact CB-O 3.26Å; I891-G895 PolarHBondContact O-N 2.89Å; N892-G895 PolarHBondContact O-N 2.86Å; L893-G895 VanDerWaalsContact C-N 3.33Å; L893-G895 PolarHBondContact O-N 3.28Å; G895-A898 PolarHBondContact O-N 3.08Å; G895-G899 PolarHBondContact O-N 2.9Å
896V90.4Very high86.9Confident25 Ų2547.5 Ų47.515%0.15226%0.26CS..Hα-helixtrans-61.3-48.1177.5170.20000111L781 N892 L893 V894 A898 G899 F900 A921 I925L781-V896 HydrophobicContact CD1-CG2 3.96Å; N892-V896 VanDerWaalsContact O-CG2 3.32Å; N892-V896 WeakPolarHBondContact O-CG2 3.43Å; N892-V896 PolarHBondContact O-N 3.15Å; L893-V896 PolarHBondContact O-N 2.79Å; V894-V896 PolarHBondContact O-N 3.44Å; V896-A898 PolarHBondContact O-N 3.16Å; V896-G899 PolarHBondContact O-N 2.88Å; V896-F900 HydrophobicContact CG1-CD2 3.82Å; V896-F900 HydrophobicContact CG1-CE2 3.97Å; V896-F900 WeakPolarHBondContact O-CD2 3.25Å; V896-F900 PolarHBondContact O-N 3.38Å; V896-A921 HydrophobicContact CG2-CB 3.57Å; V896-I925 HydrophobicContact CG2-CD1 4.3Å
897V86.5Confident86.1Confident51 Ų5148 Ų4831%0.30927%0.269SS..Hα-helixtrans-62.1-45.7179.5175.70000111.1L893 V894 F900 S901L893-V897 WeakPolarHBondContact O-CG2 3.43Å; L893-V897 PolarHBondContact O-N 3.26Å; L893-V897 VanDerWaalsContact O-N 3.1Å; V894-V897 PolarHBondContact O-N 2.95Å; V897-F900 PolarHBondContact O-N 3.31Å; V897-S901 PolarHBondContact O-N 3.27Å
898A84.2Confident85.2Confident38 Ų3854.6 Ų54.631%0.31429%0.286SS..Hα-helixtrans-63-44.2177.800000112.1L782 V894 G895 V896 S901 D902L782-A898 HydrophobicContact CD2-CB 3.69Å; V894-A898 WeakPolarHBondContact O-CB 3.34Å; V894-A898 PolarHBondContact O-N 2.93Å; G895-A898 PolarHBondContact O-N 3.08Å; V896-A898 PolarHBondContact O-N 3.16Å; A898-S901 PolarHBondContact O-N 2.5Å; A898-D902 PolarHBondContact O-N 2.75Å
899G84.2Confident84.1Confident4 Ų463.2 Ų63.24%0.04133%0.326CS..Hα-helixtrans-63.7-41.4178.900000112.9G895 V896 D902 A903 L914G895-G899 PolarHBondContact O-N 2.9Å; V896-G899 PolarHBondContact O-N 2.88Å; G899-D902 PolarHBondContact O-N 2.88Å; G899-A903 WeakPolarHBondContact O-CB 3.33Å; G899-A903 PolarHBondContact O-N 3.24Å; G899-L914 WeakPolarHBondContact O-CD1 3.47Å
900F84.8Confident83.2Confident88 Ų8863.9 Ų63.939%0.38633%0.333SS..Hα-helixtrans-62.6-43.3172.6-93.7-75.6000111.9V896 V897 D902 A903 L904 L914 V918V896-F900 HydrophobicContact CG1-CD2 3.82Å; V896-F900 HydrophobicContact CG1-CE2 3.97Å; V896-F900 WeakPolarHBondContact O-CD2 3.25Å; V896-F900 PolarHBondContact O-N 3.38Å; V897-F900 PolarHBondContact O-N 3.31Å; F900-D902 PolarHBondContact O-N 3.06Å; F900-A903 PolarHBondContact O-N 3.46Å; F900-L904 WeakPolarHBondContact O-CG 3.17Å; F900-L904 PolarHBondContact O-N 3.45Å; F900-L914 HydrophobicContact CD1-CD2 4.08Å; F900-L914 HydrophobicContact CE1-CD2 4.2Å; F900-V918 HydrophobicContact CD2-CG2 4.25Å; F900-V918 HydrophobicContact CE2-CB 4.5Å; F900-V918 HydrophobicContact CE2-CG1 3.86Å; F900-V918 HydrophobicContact CE2-CG2 3.82Å; F900-V918 HydrophobicContact CZ-CG1 4.34Å; F900-V918 HydrophobicContact CZ-CG2 4.37Å
901S82.3Confident82.4Confident8 Ų864.8 Ų64.86%0.05633%0.33CS..Hα-helixtrans-65.7-38.4179.6-162.70000112.9V897 A898 N905 V962V897-S901 PolarHBondContact O-N 3.27Å; A898-S901 PolarHBondContact O-N 2.5Å; S901-N905 PolarHBondContact O-N 3.09Å; S901-V962 WeakPolarHBondContact OG-CB 3.39Å; S901-V962 WeakPolarHBondContact OG-CG1 3.33Å; S901-V962 VanDerWaalsContact OG-CG2 3.27Å; S901-V962 WeakPolarHBondContact OG-CG2 3.23Å
902D78.6Confident81.7Confident54 Ų5464.7 Ų64.729%0.28934%0.343SS..Hα-helixtrans-69-39.9176.9-173.444.3000111.7A898 G899 F900 L904 N905 K906A898-D902 PolarHBondContact O-N 2.75Å; G899-D902 PolarHBondContact O-N 2.88Å; F900-D902 PolarHBondContact O-N 3.06Å; D902-L904 PolarHBondContact O-N 3.43Å; D902-N905 PolarHBondContact O-N 3.12Å; D902-K906 VanDerWaalsContact CG-NZ 3.33Å; D902-K906 PolarHBondContact O-N 3.42Å; D902-K906 VanDerWaalsContact O-N 3.13Å; D902-K906 WeakPolarHBondContact OD1-CE 3.34Å; D902-K906 IonicContact OD1-NZ 3.17Å; D902-K906 PolarHBondContact OD1-NZ 2.93Å; D902-K906 WeakPolarHBondContact OD2-CE 3.45Å; D902-K906 IonicContact OD2-NZ 2.7Å; D902-K906 PolarHBondContact OD2-NZ 2.9Å
903A80.5Confident81Confident4 Ų467.8 Ų67.83%0.03336%0.364CS..Hα-helixtrans-65.9-35.9176.700000113.1G899 F900 N905 K906 A910 L914G899-A903 WeakPolarHBondContact O-CB 3.33Å; G899-A903 PolarHBondContact O-N 3.24Å; F900-A903 PolarHBondContact O-N 3.46Å; A903-N905 PolarHBondContact O-N 3.39Å; A903-K906 PolarHBondContact O-N 3.16Å; A903-A910 HydrophobicContact CB-CB 4.3Å; A903-L914 HydrophobicContact CB-CB 4.39Å; A903-L914 HydrophobicContact CB-CD1 4.13Å; A903-L914 HydrophobicContact CB-CD2 3.37Å; A903-L914 HydrophobicContact CB-CG 4.15Å
904L81.2Confident80.7Confident95 Ų9564.9 Ų64.950%0.49735%0.348SS..Hα-helixtrans-61.9-30.6174.1-75.5171.8000112.3F900 D902 W911 L959F900-L904 WeakPolarHBondContact O-CG 3.17Å; F900-L904 PolarHBondContact O-N 3.45Å; D902-L904 PolarHBondContact O-N 3.43Å; L904-W911 HydrophobicContact CD2-CZ2 4.47Å; L904-L959 HydrophobicContact CD1-CD1 3.97Å; L904-L959 HydrophobicContact CD1-CD2 4.46Å; L904-L959 HydrophobicContact CD1-CG 4.39Å
905N79.1Confident80.5Confident80 Ų8068.5 Ų68.543%0.42836%0.358SS..Hα-helixtrans-82.9-33.2179.1-74.9-6.3000113.9S901 D902 A903 G907 V962S901-N905 PolarHBondContact O-N 3.09Å; D902-N905 PolarHBondContact O-N 3.12Å; A903-N905 PolarHBondContact O-N 3.39Å; N905-G907 VanDerWaalsContact C-N 3.33Å; N905-V962 WeakPolarHBondContact ND2-CG1 3.48Å
906K75.5Confident80.2Confident130 Ų13069.6 Ų69.657%0.56537%0.369SS*.Hα-helixtrans-83.8-3.9-175.1-74.5174.4179.3163.30114.5D902 A903 A910D902-K906 VanDerWaalsContact CG-NZ 3.33Å; D902-K906 PolarHBondContact O-N 3.42Å; D902-K906 VanDerWaalsContact O-N 3.13Å; D902-K906 WeakPolarHBondContact OD1-CE 3.34Å; D902-K906 IonicContact OD1-NZ 3.17Å; D902-K906 PolarHBondContact OD1-NZ 2.93Å; D902-K906 WeakPolarHBondContact OD2-CE 3.45Å; D902-K906 IonicContact OD2-NZ 2.7Å; D902-K906 PolarHBondContact OD2-NZ 2.9Å; A903-K906 PolarHBondContact O-N 3.16Å; K906-A910 HydrophobicContact CB-CB 4.12Å
907G72.5Confident80.1Confident33 Ų3369.3 Ų69.334%0.3437%0.366SS..  trans81.4-176.9-179.800000113.9N905 E909 A910N905-G907 VanDerWaalsContact C-N 3.33Å; G907-E909 PolarHBondContact O-N 3Å; G907-E909 VanDerWaalsContact O-N 3.14Å; G907-A910 PolarHBondContact O-N 2.93Å
908Y74.5Confident80.3Confident206 Ų20668 Ų6881%0.80836%0.358SS*.G310 helixtrans-62.2-23.2-168.8-82.1-80.5000114.9A910 W911Y908-A910 PolarHBondContact O-N 3.38Å; Y908-W911 WeakPolarHBondContact O-CB 3.09Å; Y908-W911 PolarHBondContact O-N 3.11Å
909E71.1Confident80.6Confident190 Ų19071 Ų7189%0.88836%0.364SS*.G310 helixtrans-62.9-26.6-179.5-65.3-109.2152.100113.2G907 W911G907-E909 PolarHBondContact O-N 3Å; G907-E909 VanDerWaalsContact O-N 3.14Å; E909-W911 VanDerWaalsContact C-N 3.34Å; E909-W911 PolarHBondContact O-N 3.28Å
910A73.5Confident80.9Confident24 Ų2473.4 Ų73.420%0.19837%0.373CS..G310 helixtrans-80.2-10.5-178.800000114.2A903 K906 G907 Y908 L914A903-A910 HydrophobicContact CB-CB 4.3Å; K906-A910 HydrophobicContact CB-CB 4.12Å; G907-A910 PolarHBondContact O-N 2.93Å; Y908-A910 PolarHBondContact O-N 3.38Å; A910-L914 VanDerWaalsContact O-CB 3.26Å; A910-L914 WeakPolarHBondContact O-CB 3.45Å; A910-L914 PolarHBondContact O-N 3.3Å; A910-L914 VanDerWaalsContact O-N 3.08Å
911W75Confident81.3Confident116 Ų11669.2 Ų69.244%0.43936%0.355SS..Hα-helixtrans-70-36.5-169.2-80.869.8000114.1L904 Y908 E909 L914 F915L904-W911 HydrophobicContact CD2-CZ2 4.47Å; Y908-W911 WeakPolarHBondContact O-CB 3.09Å; Y908-W911 PolarHBondContact O-N 3.11Å; E909-W911 VanDerWaalsContact C-N 3.34Å; E909-W911 PolarHBondContact O-N 3.28Å; W911-L914 PolarHBondContact O-N 3.39Å; W911-F915 PolarHBondContact O-N 2.85Å
912G79.4Confident81.8Confident57 Ų5774.7 Ų74.759%0.58838%0.378SS*.Hα-helixtrans-60.9-59.1177.400000112.4L914 F915G912-L914 VanDerWaalsContact C-N 3.27Å; G912-L914 PolarHBondContact O-N 2.9Å; G912-F915 PolarHBondContact O-N 3.37Å
913P78.8Confident82.5Confident66 Ų6676.7 Ų76.743%0.42938%0.382SS..Hα-helixtrans-59.1-34.5175.3-2534.1000113.7F915 K917P913-F915 VanDerWaalsContact C-N 3.35Å; P913-K917 WeakPolarHBondContact O-CG 3.42Å; P913-K917 PolarHBondContact O-N 2.98Å
914L84Confident83.2Confident12 Ų1276.6 Ų76.66%0.06338%0.381CS..Hα-helixtrans-61.1-44.5176.4-178.470.1000111.3L781 G899 F900 A903 A910 W911 G912 G916 K917 V918L781-L914 HydrophobicContact CD2-CD1 4.09Å; G899-L914 WeakPolarHBondContact O-CD1 3.47Å; F900-L914 HydrophobicContact CD1-CD2 4.08Å; F900-L914 HydrophobicContact CE1-CD2 4.2Å; A903-L914 HydrophobicContact CB-CB 4.39Å; A903-L914 HydrophobicContact CB-CD1 4.13Å; A903-L914 HydrophobicContact CB-CD2 3.37Å; A903-L914 HydrophobicContact CB-CG 4.15Å; A910-L914 VanDerWaalsContact O-CB 3.26Å; A910-L914 WeakPolarHBondContact O-CB 3.45Å; A910-L914 PolarHBondContact O-N 3.3Å; A910-L914 VanDerWaalsContact O-N 3.08Å; W911-L914 PolarHBondContact O-N 3.39Å; G912-L914 VanDerWaalsContact C-N 3.27Å; G912-L914 PolarHBondContact O-N 2.9Å; L914-G916 VanDerWaalsContact C-N 3.33Å; L914-G916 PolarHBondContact O-N 3.22Å; L914-K917 PolarHBondContact O-N 3.29Å; L914-K917 VanDerWaalsContact O-N 3.16Å; L914-V918 HydrophobicContact CD1-CG2 3.82Å; L914-V918 HydrophobicContact CG-CG2 3.93Å; L914-V918 WeakPolarHBondContact O-CB 3.25Å; L914-V918 WeakPolarHBondContact O-CG2 3.25Å; L914-V918 PolarHBondContact O-N 3.36Å
915F85.1Confident83.7Confident157 Ų15773.2 Ų73.269%0.68936%0.363SS*.Hα-helixtrans-58.4-45.3-177.3-161.1-89.1000111.9W911 G912 P913 K917 V918 F919W911-F915 PolarHBondContact O-N 2.85Å; G912-F915 PolarHBondContact O-N 3.37Å; P913-F915 VanDerWaalsContact C-N 3.35Å; F915-K917 PolarHBondContact O-N 2.91Å; F915-V918 PolarHBondContact O-N 3.28Å; F915-F919 VanDerWaalsContact O-CB 3.26Å; F915-F919 WeakPolarHBondContact O-CB 3.29Å; F915-F919 PolarHBondContact O-N 3.09Å
916G83.1Confident84.4Confident23 Ų2372.6 Ų72.624%0.23736%0.359CS..Hα-helixtrans-62.4-42.7176.500000113L914 F919 F920L914-G916 VanDerWaalsContact C-N 3.33Å; L914-G916 PolarHBondContact O-N 3.22Å; G916-F919 PolarHBondContact O-N 2.93Å; G916-F920 VanDerWaalsContact O-CD2 3.24Å; G916-F920 WeakPolarHBondContact O-CD2 3.42Å; G916-F920 PolarHBondContact O-N 3.42Å
917K87.7Confident85.3Confident19 Ų1966.7 Ų66.78%0.08333%0.334CS..Hα-helixtrans-65-46.4177.9-69.2175.2-175.4-167.70112.5C780 L781 G784 K785 F786 P913 L914 F915 F919 F920 A921C780-K917 HydrophobicContact CB-CG 4.45Å; C780-K917 PolarHBondContact O-NZ 3.18Å; C780-K917 VanDerWaalsContact O-NZ 3.11Å; L781-K917 HydrophobicContact CD2-CB 3.58Å; L781-K917 HydrophobicContact CD2-CD 4.32Å; L781-K917 HydrophobicContact CG-CB 3.91Å; G784-K917 PolarHBondContact O-NZ 3.04Å; K785-K917 VanDerWaalsContact O-CE 3.31Å; K785-K917 WeakPolarHBondContact O-CE 3.2Å; K785-K917 PolarHBondContact O-NZ 3.38Å; F786-K917 HydrophobicContact CD2-CD 4.09Å; F786-K917 HydrophobicContact CD2-CG 3.34Å; F786-K917 HydrophobicContact CE2-CB 4.35Å; F786-K917 HydrophobicContact CE2-CG 3.39Å; F786-K917 HydrophobicContact CG-CG 4.34Å; F786-K917 HydrophobicContact CZ-CG 4.41Å; P913-K917 WeakPolarHBondContact O-CG 3.42Å; P913-K917 PolarHBondContact O-N 2.98Å; L914-K917 PolarHBondContact O-N 3.29Å; L914-K917 VanDerWaalsContact O-N 3.16Å; F915-K917 PolarHBondContact O-N 2.91Å; K917-F919 VanDerWaalsContact C-N 3.33Å; K917-F920 PolarHBondContact O-N 3.1Å; K917-A921 PolarHBondContact O-N 3.35Å; K917-A921 VanDerWaalsContact O-N 3.17Å
918V90.2Very high86.2Confident23 Ų2365.1 Ų65.114%0.13932%0.318CS..Hα-helixtrans-65.6-38.8178.7172.30000110.4L781 F900 L914 F915 F920 A921 F922L781-V918 HydrophobicContact CD2-CG2 3.96Å; F900-V918 HydrophobicContact CD2-CG2 4.25Å; F900-V918 HydrophobicContact CE2-CB 4.5Å; F900-V918 HydrophobicContact CE2-CG1 3.86Å; F900-V918 HydrophobicContact CE2-CG2 3.82Å; F900-V918 HydrophobicContact CZ-CG1 4.34Å; F900-V918 HydrophobicContact CZ-CG2 4.37Å; L914-V918 HydrophobicContact CD1-CG2 3.82Å; L914-V918 HydrophobicContact CG-CG2 3.93Å; L914-V918 WeakPolarHBondContact O-CB 3.25Å; L914-V918 WeakPolarHBondContact O-CG2 3.25Å; L914-V918 PolarHBondContact O-N 3.36Å; F915-V918 PolarHBondContact O-N 3.28Å; V918-F920 PolarHBondContact O-N 3.32Å; V918-A921 PolarHBondContact O-N 2.93Å; V918-F922 VanDerWaalsContact O-CB 3.27Å; V918-F922 WeakPolarHBondContact O-CB 3.48Å; V918-F922 PolarHBondContact O-N 3.12Å
919F90.4Very high86.6Confident102 Ų10260.4 Ų60.445%0.44730%0.299SS..Hα-helixtrans-57-47.9177-177.5-94.4000111.9F803 F915 G916 K917 F922 W923F803-F919 HydrophobicContact CZ-CE1 4.49Å; F915-F919 VanDerWaalsContact O-CB 3.26Å; F915-F919 WeakPolarHBondContact O-CB 3.29Å; F915-F919 PolarHBondContact O-N 3.09Å; G916-F919 PolarHBondContact O-N 2.93Å; K917-F919 VanDerWaalsContact C-N 3.33Å; F919-F922 PolarHBondContact O-N 3.4Å; F919-W923 WeakPolarHBondContact O-CB 3.46Å; F919-W923 PolarHBondContact O-N 3.05Å
920F91.1Very high87.1Confident55 Ų5551.4 Ų51.424%0.24126%0.257CS..Hα-helixtrans-66.7-40.4178-60.9-42.6000112.8P777 F786 I788 G916 K917 V918 F922 W923 V924P777-F920 HydrophobicContact CB-CB 3.9Å; P777-F920 HydrophobicContact CG-CB 3.67Å; F786-F920 HydrophobicContact CE2-CD2 4.44Å; F786-F920 HydrophobicContact CE2-CE2 4.27Å; F786-F920 HydrophobicContact CZ-CE2 4.12Å; I788-F920 HydrophobicContact CD1-CE2 3.8Å; I788-F920 HydrophobicContact CD1-CZ 3.78Å; G916-F920 VanDerWaalsContact O-CD2 3.24Å; G916-F920 WeakPolarHBondContact O-CD2 3.42Å; G916-F920 PolarHBondContact O-N 3.42Å; K917-F920 PolarHBondContact O-N 3.1Å; V918-F920 PolarHBondContact O-N 3.32Å; F920-F922 VanDerWaalsContact C-N 3.34Å; F920-W923 WeakPolarHBondContact O-CB 3.41Å; F920-W923 PolarHBondContact O-N 3.04Å; F920-V924 PolarHBondContact O-N 2.95Å
921A92.9Very high87.4Confident0 Ų050.4 Ų50.40%025%0.248CC..Hα-helixtrans-64.7-40.8176.300000111.6P777 L781 V896 K917 V918 W923 V924 I925P777-A921 HydrophobicContact CB-CB 3.92Å; L781-A921 HydrophobicContact CD1-CB 3.57Å; V896-A921 HydrophobicContact CG2-CB 3.57Å; K917-A921 PolarHBondContact O-N 3.35Å; K917-A921 VanDerWaalsContact O-N 3.17Å; V918-A921 PolarHBondContact O-N 2.93Å; A921-W923 VanDerWaalsContact C-N 3.33Å; A921-W923 PolarHBondContact O-N 3.26Å; A921-V924 PolarHBondContact O-N 2.6Å; A921-I925 VanDerWaalsContact O-CG1 3.31Å; A921-I925 WeakPolarHBondContact O-CG1 3.39Å; A921-I925 PolarHBondContact O-N 3.45Å
922F93.1Very high87.6Confident123 Ų12347.2 Ų47.254%0.53924%0.239SC..Hα-helixtrans-65.3-37.7176.6-163.9-95.8000111.9V918 F919 F920 V924 I925 L926V918-F922 VanDerWaalsContact O-CB 3.27Å; V918-F922 WeakPolarHBondContact O-CB 3.48Å; V918-F922 PolarHBondContact O-N 3.12Å; F919-F922 PolarHBondContact O-N 3.4Å; F920-F922 VanDerWaalsContact C-N 3.34Å; F922-V924 VanDerWaalsContact C-N 3.33Å; F922-V924 PolarHBondContact O-N 3.29Å; F922-I925 PolarHBondContact O-N 3.1Å; F922-L926 VanDerWaalsContact O-CB 3.3Å; F922-L926 WeakPolarHBondContact O-CB 3.49Å; F922-L926 PolarHBondContact O-N 3.49Å
923W93.4Very high87.3Confident95 Ų9549.2 Ų49.236%0.3623%0.232SC..Hα-helixtrans-58.5-44.2174.4-174.291.1000111.9F919 F920 A921 L926 H927F919-W923 WeakPolarHBondContact O-CB 3.46Å; F919-W923 PolarHBondContact O-N 3.05Å; F920-W923 WeakPolarHBondContact O-CB 3.41Å; F920-W923 PolarHBondContact O-N 3.04Å; A921-W923 VanDerWaalsContact C-N 3.33Å; A921-W923 PolarHBondContact O-N 3.26Å; W923-L926 PolarHBondContact O-N 3.29Å; W923-H927 AromaticContact CD1-CE1 3.91Å; W923-H927 AromaticContact CD2-CE1 3.67Å; W923-H927 AromaticContact CD2-ND1 3.66Å; W923-H927 AromaticContact CE2-CE1 3.11Å; W923-H927 AromaticContact CE2-ND1 3.6Å; W923-H927 AromaticContact CE2-NE2 3.93Å; W923-H927 AromaticContact CE3-ND1 3.99Å; W923-H927 AromaticContact CH2-CE1 3.95Å; W923-H927 AromaticContact CZ2-CE1 3.27Å; W923-H927 WeakPolarHBondContact CZ2-CE1 3.31Å; W923-H927 AromaticContact CZ2-ND1 3.86Å; W923-H927 AromaticContact CZ2-NE2 3.63Å; W923-H927 AromaticContact NE1-CE1 3.31Å; W923-H927 PolarHBondContact NE1-CE1 3.4Å; W923-H927 VanDerWaalsContact NE1-CE1 3.31Å; W923-H927 PolarHBondContact O-N 3.42Å; W923-H927 VanDerWaalsContact O-N 3.14Å; W923-H927 PolarHBondContact O-ND1 3.42Å
924V95.1Very high86.8Confident3 Ų346.1 Ų46.12%0.01821%0.212CC..Hα-helixtrans-63.5-47.5175.4176.90000111.2C774 P777 F920 A921 F922 L926 H927 L928C774-V924 HydrophobicContact CB-CG1 4Å; C774-V924 HydrophobicContact CB-CG2 4.15Å; P777-V924 HydrophobicContact CG-CG2 4.43Å; F920-V924 PolarHBondContact O-N 2.95Å; A921-V924 PolarHBondContact O-N 2.6Å; F922-V924 VanDerWaalsContact C-N 3.33Å; F922-V924 PolarHBondContact O-N 3.29Å; V924-L926 VanDerWaalsContact C-N 3.29Å; V924-L926 PolarHBondContact O-N 3.09Å; V924-H927 PolarHBondContact O-N 3.2Å; V924-L928 HydrophobicContact CG1-CD1 4.16Å; V924-L928 PolarHBondContact O-N 2.85Å; V924-L928 VanDerWaalsContact O-N 3.08Å
925I93Very high86.1Confident23 Ų2348.7 Ų48.712%0.11823%0.226CC..Hα-helixtrans-60.3-40.7179.2-66.2165.2000110.9L889 N892 L893 V896 A921 F922 H927 L928 Y929L889-I925 HydrophobicContact CD1-CB 4.48Å; L889-I925 HydrophobicContact CD1-CG1 4.33Å; L889-I925 HydrophobicContact CD1-CG2 4.12Å; N892-I925 HydrophobicContact CB-CD1 4.16Å; N892-I925 HydrophobicContact CB-CG1 3.99Å; L893-I925 HydrophobicContact CD2-CD1 4.2Å; L893-I925 HydrophobicContact CG-CD1 4.19Å; V896-I925 HydrophobicContact CG2-CD1 4.3Å; A921-I925 VanDerWaalsContact O-CG1 3.31Å; A921-I925 WeakPolarHBondContact O-CG1 3.39Å; A921-I925 PolarHBondContact O-N 3.45Å; F922-I925 PolarHBondContact O-N 3.1Å; I925-H927 PolarHBondContact O-N 3.04Å; I925-L928 CarbonylContact O-C 3.6Å; I925-L928 PolarHBondContact O-N 3.46Å; I925-Y929 PolarHBondContact O-N 3.41Å
926L93Very high85.3Confident68 Ų6843.9 Ų43.936%0.35621%0.206SC..Hα-helixtrans-66.4-35.5179.5-169.270.6000112.3W825 Q829 F922 W923 V924 Y929W825-L926 HydrophobicContact CH2-CD2 4.04Å; W825-L926 HydrophobicContact CZ2-CD2 3.69Å; W825-L926 HydrophobicContact CZ2-CG 3.96Å; Q829-L926 PolarHBondContact NE2-O 3.13Å; F922-L926 VanDerWaalsContact O-CB 3.3Å; F922-L926 WeakPolarHBondContact O-CB 3.49Å; F922-L926 PolarHBondContact O-N 3.49Å; W923-L926 PolarHBondContact O-N 3.29Å; V924-L926 VanDerWaalsContact C-N 3.29Å; V924-L926 PolarHBondContact O-N 3.09Å; L926-Y929 VanDerWaalsContact O-CB 3.3Å; L926-Y929 WeakPolarHBondContact O-CB 3.49Å; L926-Y929 PolarHBondContact O-N 2.89Å
927H93.6Very high84Confident5 Ų543.6 Ų43.62%0.02320%0.203CC..Hα-helixtrans-69.3-36.8174.2-77.676.7000112.2W825 V832 W923 V924 I925 Y929 P930W825-H927 AromaticContact CH2-CE1 3.32Å; W825-H927 WeakPolarHBondContact CH2-CE1 3.49Å; W825-H927 AromaticContact CH2-NE2 3.58Å; W825-H927 AromaticContact CZ3-CE1 3.83Å; W825-H927 AromaticContact CZ3-NE2 3.75Å; V832-H927 HydrophobicContact CB-CB 4.15Å; V832-H927 HydrophobicContact CG1-CB 4.09Å; V832-H927 HydrophobicContact CG2-CB 4.15Å; W923-H927 AromaticContact CD1-CE1 3.91Å; W923-H927 AromaticContact CD2-CE1 3.67Å; W923-H927 AromaticContact CD2-ND1 3.66Å; W923-H927 AromaticContact CE2-CE1 3.11Å; W923-H927 AromaticContact CE2-ND1 3.6Å; W923-H927 AromaticContact CE2-NE2 3.93Å; W923-H927 AromaticContact CE3-ND1 3.99Å; W923-H927 AromaticContact CH2-CE1 3.95Å; W923-H927 AromaticContact CZ2-CE1 3.27Å; W923-H927 WeakPolarHBondContact CZ2-CE1 3.31Å; W923-H927 AromaticContact CZ2-ND1 3.86Å; W923-H927 AromaticContact CZ2-NE2 3.63Å; W923-H927 AromaticContact NE1-CE1 3.31Å; W923-H927 PolarHBondContact NE1-CE1 3.4Å; W923-H927 VanDerWaalsContact NE1-CE1 3.31Å; W923-H927 PolarHBondContact O-N 3.42Å; W923-H927 VanDerWaalsContact O-N 3.14Å; W923-H927 PolarHBondContact O-ND1 3.42Å; V924-H927 PolarHBondContact O-N 3.2Å; I925-H927 PolarHBondContact O-N 3.04Å; H927-Y929 VanDerWaalsContact C-N 3.27Å; H927-Y929 PolarHBondContact O-N 2.86Å; H927-P930 WeakPolarHBondContact O-CD 3.45Å
928L91.7Very high82.3Confident1 Ų152.3 Ų52.31%0.00524%0.235CC..THydrogen-bonded Turntrans-83.22176.5-65.4176.9000113.6V832 I833 P885 L888 L889 V924 I925 F931 L932V832-L928 HydrophobicContact CG1-CD2 4.42Å; I833-L928 HydrophobicContact CG1-CD2 3.91Å; P885-L928 HydrophobicContact CB-CD2 4.4Å; L888-L928 HydrophobicContact CB-CD1 4.24Å; L889-L928 HydrophobicContact CB-CD1 4.42Å; L889-L928 HydrophobicContact CD1-CB 4.17Å; V924-L928 HydrophobicContact CG1-CD1 4.16Å; V924-L928 PolarHBondContact O-N 2.85Å; V924-L928 VanDerWaalsContact O-N 3.08Å; I925-L928 CarbonylContact O-C 3.6Å; I925-L928 PolarHBondContact O-N 3.46Å; L928-F931 VanDerWaalsContact O-CB 3.3Å; L928-F931 WeakPolarHBondContact O-CB 3.4Å; L928-F931 PolarHBondContact O-N 2.67Å; L928-F931 VanDerWaalsContact O-N 3.16Å; L928-L932 PolarHBondContact O-N 2.94Å
929Y84.2Confident80.3Confident106 Ų10655.5 Ų55.542%0.41625%0.248SC..Hα-helixtrans-61.5-41.9-178.4179.9-114.6000114.5I925 L926 H927 F931 L932 K933I925-Y929 PolarHBondContact O-N 3.41Å; L926-Y929 VanDerWaalsContact O-CB 3.3Å; L926-Y929 WeakPolarHBondContact O-CB 3.49Å; L926-Y929 PolarHBondContact O-N 2.89Å; H927-Y929 VanDerWaalsContact C-N 3.27Å; H927-Y929 PolarHBondContact O-N 2.86Å; Y929-F931 PolarHBondContact O-N 3.48Å; Y929-L932 HydrophobicContact CD2-CD2 4.49Å; Y929-L932 WeakPolarHBondContact O-CB 3.22Å; Y929-L932 PolarHBondContact O-N 3.4Å; Y929-K933 HydrophobicContact CD1-CD 4.49Å; Y929-K933 HydrophobicContact CE1-CD 3.88Å; Y929-K933 HydrophobicContact CE1-CG 4.19Å; Y929-K933 HydrophobicContact CE2-CG 4.33Å; Y929-K933 PolarHBondContact O-N 3.05Å; Y929-K933 WeakPolarHBondContact OH-CE 3.42Å
930P80.5Confident78.2Confident2 Ų259 Ų591%0.01327%0.272CS..Hα-helixtrans-61.6-34.7174.6-22.534.6000112.6R514 Q829 I833 H927 K933 G934R514-P930 HydrophobicContact CG-CB 4.15Å; Q829-P930 HydrophobicContact CB-CG 4.07Å; Q829-P930 VanDerWaalsContact CD-CG 3.42Å; Q829-P930 HydrophobicContact CG-CG 4.29Å; I833-P930 HydrophobicContact CD1-CB 4.28Å; H927-P930 WeakPolarHBondContact O-CD 3.45Å; P930-K933 PolarHBondContact O-N 3.39Å; P930-G934 PolarHBondContact O-N 3.31Å
931F80.7Confident76Confident2 Ų267.8 Ų67.81%0.00930%0.304CS..Hα-helixtrans-63.6-46.5173.2169.5-92.4000111L715 I833 L882 P885 T886 L928 Y929 K933 G934 L935L715-F931 HydrophobicContact CD2-CD2 3.88Å; L715-F931 HydrophobicContact CD2-CE2 4.39Å; I833-F931 HydrophobicContact CD1-CB 3.86Å; I833-F931 HydrophobicContact CG1-CB 4.08Å; I833-F931 HydrophobicContact CG2-CD2 4.48Å; L882-F931 HydrophobicContact CB-CE2 4.23Å; L882-F931 HydrophobicContact CB-CZ 4.25Å; L882-F931 HydrophobicContact CD2-CE2 3.76Å; L882-F931 HydrophobicContact CG-CE2 4.49Å; P885-F931 HydrophobicContact CB-CD1 4.13Å; P885-F931 HydrophobicContact CB-CD2 4.19Å; P885-F931 HydrophobicContact CB-CE1 3.87Å; P885-F931 HydrophobicContact CB-CE2 3.91Å; P885-F931 HydrophobicContact CB-CG 4.31Å; P885-F931 HydrophobicContact CB-CZ 3.77Å; P885-F931 HydrophobicContact CG-CE2 4.35Å; T886-F931 WeakPolarHBondContact OG1-CZ 3.11Å; L928-F931 VanDerWaalsContact O-CB 3.3Å; L928-F931 WeakPolarHBondContact O-CB 3.4Å; L928-F931 PolarHBondContact O-N 2.67Å; L928-F931 VanDerWaalsContact O-N 3.16Å; Y929-F931 PolarHBondContact O-N 3.48Å; F931-K933 PolarHBondContact O-N 3.48Å; F931-G934 CarbonylContact O-C 3.54Å; F931-G934 VanDerWaalsContact O-CA 3.3Å; F931-G934 WeakPolarHBondContact O-CA 3.34Å; F931-G934 PolarHBondContact O-N 3.21Å; F931-L935 HydrophobicContact CE1-CD1 4.35Å; F931-L935 HydrophobicContact CZ-CD1 3.99Å; F931-L935 PolarHBondContact O-N 3.41Å
932L78.8Confident74.1Confident49 Ų4969.8 Ų69.826%0.25732%0.316SS..Hα-helixtrans-59.8-45.1175.117963.2000111.8L889 L928 Y929 G934 L935 M936L889-L932 HydrophobicContact CD2-CB 3.93Å; L889-L932 HydrophobicContact CD2-CD1 3.76Å; L889-L932 HydrophobicContact CD2-CD2 4.37Å; L889-L932 HydrophobicContact CD2-CG 4.2Å; L928-L932 PolarHBondContact O-N 2.94Å; Y929-L932 HydrophobicContact CD2-CD2 4.49Å; Y929-L932 WeakPolarHBondContact O-CB 3.22Å; Y929-L932 PolarHBondContact O-N 3.4Å; L932-G934 PolarHBondContact O-N 3.18Å; L932-L935 PolarHBondContact O-N 3.28Å; L932-M936 HydrophobicContact CD1-CG 4.4Å; L932-M936 HydrophobicContact CD1-SD 4.01Å; L932-M936 HydrophobicContact CD2-SD 4.46Å; L932-M936 HydrophobicContact CG-SD 3.86Å; L932-M936 VanDerWaalsContact O-CG 3.31Å; L932-M936 WeakPolarHBondContact O-CG 3.41Å; L932-M936 PolarHBondContact O-N 3.18Å
933K72.6Confident72.3Confident100 Ų10067.1 Ų67.144%0.43531%0.311SS..Hα-helixtrans-58-37.9171.9-84.8-169.5171174.10112.3Y929 P930 F931 M936 G937Y929-K933 HydrophobicContact CD1-CD 4.49Å; Y929-K933 HydrophobicContact CE1-CD 3.88Å; Y929-K933 HydrophobicContact CE1-CG 4.19Å; Y929-K933 HydrophobicContact CE2-CG 4.33Å; Y929-K933 PolarHBondContact O-N 3.05Å; Y929-K933 WeakPolarHBondContact OH-CE 3.42Å; P930-K933 PolarHBondContact O-N 3.39Å; F931-K933 PolarHBondContact O-N 3.48Å; K933-M936 PolarHBondContact O-N 3.08Å; K933-G937 PolarHBondContact O-N 2.87Å; K933-G937 VanDerWaalsContact O-N 3.16Å
934G69.6Low71Confident0 Ų067.2 Ų67.20%032%0.322CS..Hα-helixtrans-55-56.3171.500000111.6R514 V876 P930 F931 L932 M936 G937R514-G934 VanDerWaalsContact NH1-CA 3.27Å; V876-G934 WeakPolarHBondContact CG2-O 3.38Å; P930-G934 PolarHBondContact O-N 3.31Å; F931-G934 CarbonylContact O-C 3.54Å; F931-G934 VanDerWaalsContact O-CA 3.3Å; F931-G934 WeakPolarHBondContact O-CA 3.34Å; F931-G934 PolarHBondContact O-N 3.21Å; L932-G934 PolarHBondContact O-N 3.18Å; G934-M936 PolarHBondContact O-N 3.38Å; G934-G937 PolarHBondContact O-N 3Å
935L69.4Low69.9Low67 Ų6771.9 Ų71.935%0.35135%0.346SS..Hα-helixtrans-58.9-36.1-179.1-140.790.6000112.6W878 F931 L932 G937W878-L935 HydrophobicContact CH2-CD1 4.16Å; W878-L935 HydrophobicContact CZ2-CD1 3.99Å; W878-L935 HydrophobicContact CZ2-CD2 4.2Å; W878-L935 HydrophobicContact CZ2-CG 4.31Å; F931-L935 HydrophobicContact CE1-CD1 4.35Å; F931-L935 HydrophobicContact CZ-CD1 3.99Å; F931-L935 PolarHBondContact O-N 3.41Å; L932-L935 PolarHBondContact O-N 3.28Å; L935-G937 VanDerWaalsContact C-N 3.27Å; L935-G937 PolarHBondContact O-N 3.44Å
936M67.3Low69Low55 Ų5574.1 Ų74.127%0.27136%0.36SS..THydrogen-bonded Turntrans-79.9-6.3178.1-66.1171.556.900113.5L932 K933 G934 R938 Q939 I947L932-M936 HydrophobicContact CD1-CG 4.4Å; L932-M936 HydrophobicContact CD1-SD 4.01Å; L932-M936 HydrophobicContact CD2-SD 4.46Å; L932-M936 HydrophobicContact CG-SD 3.86Å; L932-M936 VanDerWaalsContact O-CG 3.31Å; L932-M936 WeakPolarHBondContact O-CG 3.41Å; L932-M936 PolarHBondContact O-N 3.18Å; K933-M936 PolarHBondContact O-N 3.08Å; G934-M936 PolarHBondContact O-N 3.38Å; M936-R938 PolarHBondContact O-N 2.8Å; M936-Q939 WeakPolarHBondContact O-CB 3.41Å; M936-Q939 PolarHBondContact O-N 3.3Å; M936-I947 HydrophobicContact CE-CD1 3.15Å; M936-I947 HydrophobicContact CE-CG1 4.49Å; M936-I947 HydrophobicContact CG-CD1 4.22Å; M936-I947 HydrophobicContact SD-CD1 3.93Å
937G56.8Low68Low17 Ų1773 Ų7318%0.17535%0.354CS..THydrogen-bonded Turntrans-58.7-23.7-161.600000116.4Y874 K933 G934 L935 Q939Y874-G937 VanDerWaalsContact CB-O 3.31Å; Y874-G937 WeakPolarHBondContact CB-O 3.38Å; Y874-G937 WeakPolarHBondContact CD1-O 3.46Å; K933-G937 PolarHBondContact O-N 2.87Å; K933-G937 VanDerWaalsContact O-N 3.16Å; G934-G937 PolarHBondContact O-N 3Å; L935-G937 VanDerWaalsContact C-N 3.27Å; L935-G937 PolarHBondContact O-N 3.44Å; G937-Q939 VanDerWaalsContact C-N 3.33Å
938R51.5Low67Low203 Ų20377.9 Ų77.977%0.76638%0.38SS*.THydrogen-bonded Turntrans-85.2-4.3178.7-123180168.4165.9-2.4114.4M936 N940M936-R938 PolarHBondContact O-N 2.8Å; R938-N940 PolarHBondContact O-N 3.16Å
939Q48.8Very low66.5Low89 Ų8985.4 Ų85.442%0.41641%0.408SS..  trans-99.158.5-170.8-69.9-171.2-18.800113.1M936 G937 R941 T942M936-Q939 WeakPolarHBondContact O-CB 3.41Å; M936-Q939 PolarHBondContact O-N 3.3Å; G937-Q939 VanDerWaalsContact C-N 3.33Å; Q939-R941 PolarHBondContact O-N 3.05Å; Q939-T942 VanDerWaalsContact CB-OG1 3.29Å; Q939-T942 WeakPolarHBondContact CB-OG1 3.47Å; Q939-T942 VanDerWaalsContact CD-CB 3.41Å; Q939-T942 WeakPolarHBondContact CG-OG1 3.44Å; Q939-T942 PolarHBondContact NE2-OG1 3.39Å; Q939-T942 PolarHBondContact O-N 3.07Å; Q939-T942 VanDerWaalsContact OE1-CB 3.25Å; Q939-T942 PolarHBondContact OE1-OG1 3.37Å
940N45.4Very low66.3Low176 Ų17683.3 Ų83.394%0.94141%0.409SS*.SBendtrans-68.2-2.4156.2-13311.4000111.8R938R938-N940 PolarHBondContact O-N 3.16Å
941R44.8Very low66.2Low240 Ų24087.8 Ų87.891%0.90643%0.432SS*.SBendtrans-101-18.9173.7-104.9-171.4177.7175.70.7115.1Q939 P943Q939-R941 PolarHBondContact O-N 3.05Å; R941-P943 VanDerWaalsContact O-CD 3.28Å; R941-P943 WeakPolarHBondContact O-CD 3.41Å
942T52.4Low66.2Low41 Ų4192.1 Ų92.125%0.25246%0.455SS..SBendtrans-105.995.6-179.5-30.40000104.9Q939 T944 V946Q939-T942 VanDerWaalsContact CB-OG1 3.29Å; Q939-T942 WeakPolarHBondContact CB-OG1 3.47Å; Q939-T942 VanDerWaalsContact CD-CB 3.41Å; Q939-T942 WeakPolarHBondContact CG-OG1 3.44Å; Q939-T942 PolarHBondContact NE2-OG1 3.39Å; Q939-T942 PolarHBondContact O-N 3.07Å; Q939-T942 VanDerWaalsContact OE1-CB 3.25Å; Q939-T942 PolarHBondContact OE1-OG1 3.37Å; T942-T944 PolarHBondContact O-N 3.5Å; T942-V946 HydrophobicContact CG2-CB 4.09Å; T942-V946 HydrophobicContact CG2-CG1 4.07Å; T942-V946 HydrophobicContact CG2-CG2 4.41Å
943P56.3Low66.4Low67 Ų6794.6 Ų94.644%0.43547%0.468SS..  trans-58.9141.3-17325-31.6000107.1R941 I945 V946R941-P943 VanDerWaalsContact O-CD 3.28Å; R941-P943 WeakPolarHBondContact O-CD 3.41Å; P943-I945 HydrophobicContact CB-CB 4.09Å; P943-I945 HydrophobicContact CG-CB 4.31Å; P943-I945 CarbonylContact O-C 3.51Å; P943-I945 PolarHBondContact O-N 3.26Å; P943-V946 HydrophobicContact CG-CG2 3.92Å; P943-V946 PolarHBondContact O-N 2.94Å
944T65.4Low66.7Low97 Ų9792.4 Ų92.460%0.59547%0.468SS*.Hα-helixtrans-48.1-26.7178.2-34.60000111.7T942 V946 I947 L948T942-T944 PolarHBondContact O-N 3.5Å; T944-V946 PolarHBondContact O-N 3.23Å; T944-I947 PolarHBondContact O-N 3.18Å; T944-L948 PolarHBondContact O-N 3.39Å
945I72.4Confident67.2Low101 Ų10194.3 Ų94.352%0.51848%0.482SS..Hα-helixtrans-46.7-48.3165.9-71.8167.4000114P943 I947 L948 W949P943-I945 HydrophobicContact CB-CB 4.09Å; P943-I945 HydrophobicContact CG-CB 4.31Å; P943-I945 CarbonylContact O-C 3.51Å; P943-I945 PolarHBondContact O-N 3.26Å; I945-I947 VanDerWaalsContact C-N 3.33Å; I945-I947 PolarHBondContact O-N 3.42Å; I945-L948 WeakPolarHBondContact O-CB 3.2Å; I945-L948 PolarHBondContact O-N 3.27Å; I945-W949 VanDerWaalsContact CG2-CD1 3.45Å; I945-W949 WeakPolarHBondContact O-CB 3.15Å; I945-W949 PolarHBondContact O-N 2.73Å
946V73.9Confident67.8Low71 Ų7194.8 Ų94.843%0.4349%0.487SS..Hα-helixtrans-64.3-38.8-179.5172.40000111.2T942 P943 T944 W949 S950T942-V946 HydrophobicContact CG2-CB 4.09Å; T942-V946 HydrophobicContact CG2-CG1 4.07Å; T942-V946 HydrophobicContact CG2-CG2 4.41Å; P943-V946 HydrophobicContact CG-CG2 3.92Å; P943-V946 PolarHBondContact O-N 2.94Å; T944-V946 PolarHBondContact O-N 3.23Å; V946-W949 PolarHBondContact O-N 3.19Å; V946-S950 WeakPolarHBondContact O-CB 3.27Å; V946-S950 PolarHBondContact O-N 3.44Å; V946-S950 PolarHBondContact O-OG 3.19Å
947I71.7Confident68.6Low44 Ų4499 Ų9923%0.22650%0.504CS..Hα-helixtrans-71.7-40177.2-69.8167.4000110.7M936 T944 I945 W949 S950 I951M936-I947 HydrophobicContact CE-CD1 3.15Å; M936-I947 HydrophobicContact CE-CG1 4.49Å; M936-I947 HydrophobicContact CG-CD1 4.22Å; M936-I947 HydrophobicContact SD-CD1 3.93Å; T944-I947 PolarHBondContact O-N 3.18Å; I945-I947 VanDerWaalsContact C-N 3.33Å; I945-I947 PolarHBondContact O-N 3.42Å; I947-W949 VanDerWaalsContact C-N 3.33Å; I947-W949 PolarHBondContact O-N 2.92Å; I947-S950 WeakPolarHBondContact CA-OG 3.47Å; I947-S950 PolarHBondContact O-N 3.33Å; I947-S950 PolarHBondContact O-OG 3.44Å; I947-I951 HydrophobicContact CG2-CD1 3.89Å; I947-I951 HydrophobicContact CG2-CG1 4.46Å; I947-I951 WeakPolarHBondContact O-CB 3.39Å; I947-I951 VanDerWaalsContact O-CG1 3.25Å; I947-I951 WeakPolarHBondContact O-CG1 3.31Å; I947-I951 PolarHBondContact O-N 2.91Å
948L73.7Confident69.6Low107 Ų107100.5 Ų100.556%0.5651%0.512SS*.Hα-helixtrans-58-47.3171-83.9158.7000110.9T944 I945 I951 L952T944-L948 PolarHBondContact O-N 3.39Å; I945-L948 WeakPolarHBondContact O-CB 3.2Å; I945-L948 PolarHBondContact O-N 3.27Å; L948-I951 PolarHBondContact O-N 2.91Å; L948-L952 VanDerWaalsContact O-CB 3.3Å; L948-L952 WeakPolarHBondContact O-CB 3.37Å; L948-L952 PolarHBondContact O-N 2.86Å
949W79.7Confident70.8Confident160 Ų16095 Ų9561%0.60650%0.498SS*.Hα-helixtrans-63.7-40.3177-83.5114.4000112.8I945 V946 I947 L952 L953I945-W949 VanDerWaalsContact CG2-CD1 3.45Å; I945-W949 WeakPolarHBondContact O-CB 3.15Å; I945-W949 PolarHBondContact O-N 2.73Å; V946-W949 PolarHBondContact O-N 3.19Å; I947-W949 VanDerWaalsContact C-N 3.33Å; I947-W949 PolarHBondContact O-N 2.92Å; W949-L952 PolarHBondContact O-N 3.17Å; W949-L953 WeakPolarHBondContact O-CB 3.32Å; W949-L953 PolarHBondContact O-N 3.42Å
950S80.3Confident72.4Confident62 Ų6294.2 Ų94.243%0.43450%0.498SS..Hα-helixtrans-68.7-39178.563.10000112.1V946 I947 L952 A954V946-S950 WeakPolarHBondContact O-CB 3.27Å; V946-S950 PolarHBondContact O-N 3.44Å; V946-S950 PolarHBondContact O-OG 3.19Å; I947-S950 WeakPolarHBondContact CA-OG 3.47Å; I947-S950 PolarHBondContact O-N 3.33Å; I947-S950 PolarHBondContact O-OG 3.44Å; S950-L952 VanDerWaalsContact C-N 3.33Å; S950-A954 VanDerWaalsContact O-CB 3.22Å; S950-A954 WeakPolarHBondContact O-CB 3.15Å; S950-A954 PolarHBondContact O-N 3.33Å
951I78Confident74Confident95 Ų9593.3 Ų93.349%0.48748%0.482SS..Hα-helixtrans-61.2-45.2171.2-68.3167.3000110I947 L948 A954 S955I947-I951 HydrophobicContact CG2-CD1 3.89Å; I947-I951 HydrophobicContact CG2-CG1 4.46Å; I947-I951 WeakPolarHBondContact O-CB 3.39Å; I947-I951 VanDerWaalsContact O-CG1 3.25Å; I947-I951 WeakPolarHBondContact O-CG1 3.31Å; I947-I951 PolarHBondContact O-N 2.91Å; L948-I951 PolarHBondContact O-N 2.91Å; I951-A954 PolarHBondContact O-N 3.27Å; I951-S955 WeakPolarHBondContact O-CB 3.37Å; I951-S955 PolarHBondContact O-N 3.34Å; I951-S955 PolarHBondContact O-OG 3.23Å; I951-S955 VanDerWaalsContact O-OG 3.14Å
952L80.6Confident75.3Confident93 Ų9383.1 Ų83.149%0.48745%0.446SS..Hα-helixtrans-64.6-46.1-179.4-148.6143.9000110.9L948 W949 S950 A954 S955 V956L948-L952 VanDerWaalsContact O-CB 3.3Å; L948-L952 WeakPolarHBondContact O-CB 3.37Å; L948-L952 PolarHBondContact O-N 2.86Å; W949-L952 PolarHBondContact O-N 3.17Å; S950-L952 VanDerWaalsContact C-N 3.33Å; L952-A954 PolarHBondContact O-N 3.22Å; L952-S955 WeakPolarHBondContact CA-OG 3.49Å; L952-S955 PolarHBondContact O-N 2.87Å; L952-S955 PolarHBondContact O-OG 3.1Å; L952-V956 HydrophobicContact CD2-CG2 4.44Å; L952-V956 WeakPolarHBondContact O-CG2 3.22Å; L952-V956 PolarHBondContact O-N 3.37Å
953L82.9Confident76.3Confident101 Ų10191.4 Ų91.453%0.52947%0.473SS..Hα-helixtrans-61.3-44.2174.6-118.6125.4000112.3W949 S955 V956 F957W949-L953 WeakPolarHBondContact O-CB 3.32Å; W949-L953 PolarHBondContact O-N 3.42Å; L953-S955 VanDerWaalsContact C-N 3.34Å; L953-S955 PolarHBondContact O-N 3.15Å; L953-V956 PolarHBondContact O-N 3.19Å; L953-F957 HydrophobicContact CD2-CD2 4.34Å; L953-F957 HydrophobicContact CD2-CE2 4.42Å; L953-F957 WeakPolarHBondContact O-CB 3.37Å; L953-F957 PolarHBondContact O-N 3.14Å
954A80.7Confident77.4Confident54 Ų5494.2 Ų94.245%0.44648%0.483SS..Hα-helixtrans-62-43.1177.100000111.2S950 I951 L952 F957 S958S950-A954 VanDerWaalsContact O-CB 3.22Å; S950-A954 WeakPolarHBondContact O-CB 3.15Å; S950-A954 PolarHBondContact O-N 3.33Å; I951-A954 PolarHBondContact O-N 3.27Å; L952-A954 PolarHBondContact O-N 3.22Å; A954-F957 PolarHBondContact O-N 3.44Å; A954-S958 PolarHBondContact O-N 3.05Å; A954-S958 PolarHBondContact O-OG 3.07Å
955S78.8Confident77.4Confident41 Ų4191.2 Ų91.229%0.28746%0.463SS..Hα-helixtrans-64.1-40.1176.662.40000112.6I951 L952 L953 S958 L959I951-S955 WeakPolarHBondContact O-CB 3.37Å; I951-S955 PolarHBondContact O-N 3.34Å; I951-S955 PolarHBondContact O-OG 3.23Å; I951-S955 VanDerWaalsContact O-OG 3.14Å; L952-S955 WeakPolarHBondContact CA-OG 3.49Å; L952-S955 PolarHBondContact O-N 2.87Å; L952-S955 PolarHBondContact O-OG 3.1Å; L953-S955 VanDerWaalsContact C-N 3.34Å; L953-S955 PolarHBondContact O-N 3.15Å; S955-S958 PolarHBondContact O-N 3.2Å; S955-L959 WeakPolarHBondContact O-CB 3.16Å; S955-L959 PolarHBondContact O-N 3.05Å
956V83.2Confident76.6Confident76 Ų7691.7 Ų91.746%0.46147%0.473SS..Hα-helixtrans-62.6-45.6172.3171.90000110.9L952 L953 S958 L959 V960L952-V956 HydrophobicContact CD2-CG2 4.44Å; L952-V956 WeakPolarHBondContact O-CG2 3.22Å; L952-V956 PolarHBondContact O-N 3.37Å; L953-V956 PolarHBondContact O-N 3.19Å; V956-S958 PolarHBondContact O-N 3.17Å; V956-L959 PolarHBondContact O-N 2.96Å; V956-V960 HydrophobicContact CG1-CG2 4.21Å; V956-V960 WeakPolarHBondContact O-CB 3.28Å; V956-V960 VanDerWaalsContact O-CG2 3.3Å; V956-V960 WeakPolarHBondContact O-CG2 3.32Å; V956-V960 PolarHBondContact O-N 2.96Å
957F82.8Confident75.5Confident144 Ų14497.1 Ų97.163%0.63249%0.491SS*.Hα-helixtrans-59.4-44.1177.5-113-78.3000112.2L953 A954 V960 W961L953-F957 HydrophobicContact CD2-CD2 4.34Å; L953-F957 HydrophobicContact CD2-CE2 4.42Å; L953-F957 WeakPolarHBondContact O-CB 3.37Å; L953-F957 PolarHBondContact O-N 3.14Å; A954-F957 PolarHBondContact O-N 3.44Å; F957-V960 PolarHBondContact O-N 3.12Å; F957-W961 VanDerWaalsContact O-CB 3.3Å; F957-W961 WeakPolarHBondContact O-CB 3Å; F957-W961 PolarHBondContact O-N 3.13Å
958S78.6Confident74.6Confident49 Ų4998.3 Ų98.334%0.34350%0.5SS..Hα-helixtrans-61.6-44.1175.5-65.20000111.8A954 S955 V956 W961 V962A954-S958 PolarHBondContact O-N 3.05Å; A954-S958 PolarHBondContact O-OG 3.07Å; S955-S958 PolarHBondContact O-N 3.2Å; V956-S958 PolarHBondContact O-N 3.17Å; S958-W961 PolarHBondContact O-N 3.14Å; S958-V962 WeakPolarHBondContact O-CB 3.44Å; S958-V962 WeakPolarHBondContact O-CG2 3.4Å; S958-V962 PolarHBondContact O-N 2.69Å
959L76.1Confident73Confident88 Ų8897.9 Ų97.946%0.46151%0.507SS..Hα-helixtrans-64.5-43.9179.3-128.3136.4000111.9L904 S955 V956 V962 R963L904-L959 HydrophobicContact CD1-CD1 3.97Å; L904-L959 HydrophobicContact CD1-CD2 4.46Å; L904-L959 HydrophobicContact CD1-CG 4.39Å; S955-L959 WeakPolarHBondContact O-CB 3.16Å; S955-L959 PolarHBondContact O-N 3.05Å; V956-L959 PolarHBondContact O-N 2.96Å; L959-V962 PolarHBondContact O-N 3.21Å; L959-R963 WeakPolarHBondContact O-CB 3.2Å; L959-R963 PolarHBondContact O-N 3.33Å
960V82.1Confident71.2Confident71 Ų7199.8 Ų99.843%0.4352%0.519SS..Hα-helixtrans-63-46.2175.7169.90000110.5V956 F957 V962 R963 I964V956-V960 HydrophobicContact CG1-CG2 4.21Å; V956-V960 WeakPolarHBondContact O-CB 3.28Å; V956-V960 VanDerWaalsContact O-CG2 3.3Å; V956-V960 WeakPolarHBondContact O-CG2 3.32Å; V956-V960 PolarHBondContact O-N 2.96Å; F957-V960 PolarHBondContact O-N 3.12Å; V960-V962 VanDerWaalsContact C-N 3.34Å; V960-V962 PolarHBondContact O-N 3.03Å; V960-R963 PolarHBondContact O-N 2.79Å; V960-I964 HydrophobicContact CG1-CD1 3.46Å; V960-I964 VanDerWaalsContact CG1-CD1 3.46Å; V960-I964 HydrophobicContact CG1-CG1 4.24Å; V960-I964 WeakPolarHBondContact O-CB 3.08Å; V960-I964 VanDerWaalsContact O-CG1 3.29Å; V960-I964 WeakPolarHBondContact O-CG1 3.22Å; V960-I964 PolarHBondContact O-N 2.82Å
961W80.1Confident69.3Low157 Ų157102.5 Ų102.560%0.59553%0.533SS*.Hα-helixtrans-60.2-45.1178.3-176.190000111.5F957 S958 R963 I964 N965F957-W961 VanDerWaalsContact O-CB 3.3Å; F957-W961 WeakPolarHBondContact O-CB 3Å; F957-W961 PolarHBondContact O-N 3.13Å; S958-W961 PolarHBondContact O-N 3.14Å; W961-R963 VanDerWaalsContact C-N 3.28Å; W961-R963 PolarHBondContact O-N 2.85Å; W961-I964 PolarHBondContact O-N 3.42Å; W961-N965 HydrophobicContact CD2-CB 4.32Å; W961-N965 HydrophobicContact CE3-CB 4.35Å; W961-N965 WeakPolarHBondContact CH2-ND2 3.33Å; W961-N965 HydrophobicContact CZ2-CB 4.49Å; W961-N965 WeakPolarHBondContact CZ2-ND2 3.35Å; W961-N965 HydrophobicContact CZ3-CB 4.46Å; W961-N965 WeakPolarHBondContact O-CB 3.42Å; W961-N965 PolarHBondContact O-N 3.1Å
962V72.1Confident67.5Low27 Ų27103.2 Ų103.216%0.16454%0.538CS..Hα-helixtrans-64-33.7177.7167.20000112.1S901 N905 S958 L959 V960S901-V962 WeakPolarHBondContact OG-CB 3.39Å; S901-V962 WeakPolarHBondContact OG-CG1 3.33Å; S901-V962 VanDerWaalsContact OG-CG2 3.27Å; S901-V962 WeakPolarHBondContact OG-CG2 3.23Å; N905-V962 WeakPolarHBondContact ND2-CG1 3.48Å; S958-V962 WeakPolarHBondContact O-CB 3.44Å; S958-V962 WeakPolarHBondContact O-CG2 3.4Å; S958-V962 PolarHBondContact O-N 2.69Å; L959-V962 PolarHBondContact O-N 3.21Å; V960-V962 VanDerWaalsContact C-N 3.34Å; V960-V962 PolarHBondContact O-N 3.03Å
963R73.7Confident65.7Low215 Ų215104.5 Ų104.581%0.81155%0.55SS**Hα-helixtrans-71.9-34174.2-109.5-83-177.8105-1.3113.6L959 V960 W961L959-R963 WeakPolarHBondContact O-CB 3.2Å; L959-R963 PolarHBondContact O-N 3.33Å; V960-R963 PolarHBondContact O-N 2.79Å; W961-R963 VanDerWaalsContact C-N 3.28Å; W961-R963 PolarHBondContact O-N 2.85Å
964I78.9Confident63.8Low126 Ų126104.3 Ų104.365%0.64655%0.553SS**Hα-helixtrans-87.5-30.7-176.2-67.3175.6000111.5V960 W961 P966V960-I964 HydrophobicContact CG1-CD1 3.46Å; V960-I964 VanDerWaalsContact CG1-CD1 3.46Å; V960-I964 HydrophobicContact CG1-CG1 4.24Å; V960-I964 WeakPolarHBondContact O-CB 3.08Å; V960-I964 VanDerWaalsContact O-CG1 3.29Å; V960-I964 WeakPolarHBondContact O-CG1 3.22Å; V960-I964 PolarHBondContact O-N 2.82Å; W961-I964 PolarHBondContact O-N 3.42Å; I964-P966 VanDerWaalsContact O-CD 3.22Å; I964-P966 WeakPolarHBondContact O-CD 3.49Å
965N64.5Low62Low34 Ų34104.9 Ų104.918%0.18255%0.554CS.*  trans-67.1114.3-169.7-169.7-4000111.7W961 F967W961-N965 HydrophobicContact CD2-CB 4.32Å; W961-N965 HydrophobicContact CE3-CB 4.35Å; W961-N965 WeakPolarHBondContact CH2-ND2 3.33Å; W961-N965 HydrophobicContact CZ2-CB 4.49Å; W961-N965 WeakPolarHBondContact CZ2-ND2 3.35Å; W961-N965 HydrophobicContact CZ3-CB 4.46Å; W961-N965 WeakPolarHBondContact O-CB 3.42Å; W961-N965 PolarHBondContact O-N 3.1Å; N965-F967 PolarHBondContact O-N 3.15Å; N965-F967 VanDerWaalsContact O-N 3.14Å; N965-F967 VanDerWaalsContact OD1-CD2 3.27Å; N965-F967 WeakPolarHBondContact OD1-CD2 3.4Å; N965-F967 PolarHBondContact OD1-N 3.21Å
966P55.4Low60.1Low111 Ų111109.2 Ų109.272%0.72157%0.573SS**THydrogen-bonded Turntrans-71.6-4.9-176.429.9-35.9000114.2I964I964-P966 VanDerWaalsContact O-CD 3.22Å; I964-P966 WeakPolarHBondContact O-CD 3.49Å
967F51Low58.3Low184 Ų184108.4 Ų108.481%0.80757%0.571SS**THydrogen-bonded Turntrans-94.8-3.5-175.6-64.2-71.5000115.2N965 S969N965-F967 PolarHBondContact O-N 3.15Å; N965-F967 VanDerWaalsContact O-N 3.14Å; N965-F967 VanDerWaalsContact OD1-CD2 3.27Å; N965-F967 WeakPolarHBondContact OD1-CD2 3.4Å; N965-F967 PolarHBondContact OD1-N 3.21Å; F967-S969 PolarHBondContact O-N 3.19Å
968V52.8Low56.3Low69 Ų69107.3 Ų107.342%0.41857%0.571SS.*SBendtrans-81.5110.1166.3-175.90000106.1K970V968-K970 PolarHBondContact O-N 3.46Å
969S41.3Very low54.4Low99 Ų99110.4 Ų110.469%0.69258%0.583SS**  trans-45116.1-175.747.10000110.3F967 T971F967-S969 PolarHBondContact O-N 3.19Å; S969-T971 VanDerWaalsContact C-N 3.27Å; S969-T971 PolarHBondContact O-N 3.19Å
970K41.6Very low52.8Low199 Ų199110.9 Ų110.987%0.86559%0.593SS**  trans-52.6107.4153.5-76.6177.1177.3176.10103.9V968 D972V968-K970 PolarHBondContact O-N 3.46Å; K970-D972 PolarHBondContact O-N 3.23Å; K970-D972 VanDerWaalsContact O-N 3.12Å
971T40.7Very low51Low120 Ų120114.2 Ų114.274%0.73661%0.608SS**  trans-24.5117.817130.20000109.7S969 T973S969-T971 VanDerWaalsContact C-N 3.27Å; S969-T971 PolarHBondContact O-N 3.19Å; T971-T973 VanDerWaalsContact C-N 3.31Å; T971-T973 PolarHBondContact O-N 3.41Å
972D39.8Very low49.5Very low109 Ų109113.3 Ų113.358%0.58361%0.614SS**  trans-48.797.6177.7-80.6-44.2000108.8K970 T974 S975K970-D972 PolarHBondContact O-N 3.23Å; K970-D972 VanDerWaalsContact O-N 3.12Å; D972-T974 PolarHBondContact O-N 2.99Å; D972-S975 PolarHBondContact O-N 3.44Å; D972-S975 PolarHBondContact O-OG 2.68Å
973T42.4Very low48.3Very low121 Ų121119 Ų11974%0.74264%0.642SS**Hα-helixtrans-60.9-11.1173.536.50000111.5T971 S977T971-T973 VanDerWaalsContact C-N 3.31Å; T971-T973 PolarHBondContact O-N 3.41Å; T973-S977 PolarHBondContact O-OG 3.47Å
974T43.2Very low46.4Very low97 Ų97116 Ų11660%0.59564%0.642SS**Hα-helixtrans-76.7-19.8170.521.10000114.5D972 S977D972-T974 PolarHBondContact O-N 2.99Å; T974-S977 PolarHBondContact O-OG 3.24Å
975S42.2Very low44.5Very low66 Ų66119.9 Ų119.946%0.46268%0.678SS.*Hα-helixtrans-89.9-30.6176.767.20000113D972D972-S975 PolarHBondContact O-N 3.44Å; D972-S975 PolarHBondContact O-OG 2.68Å
976L40.6Very low43.5Very low131 Ų131124.2 Ų124.269%0.68670%0.703SS**Hα-helixtrans-74.3-29.2175.2-131.889.8000112.3C980L976-C980 PolarHBondContact O-N 2.98Å; L976-C980 PolarHBondContact O-SG 3.3Å; L976-C980 VanDerWaalsContact O-SG 3.37Å
977S43.7Very low42.9Very low60 Ų60124.9 Ų124.942%0.4270%0.702SS.*Hα-helixtrans-72.9-30.3175.359.60000112.9T973 T974T973-S977 PolarHBondContact O-OG 3.47Å; T974-S977 PolarHBondContact O-OG 3.24Å
978L41.8Very low42.5Very low121 Ų121121.6 Ų121.663%0.63470%0.696SS**Hα-helixtrans-74.5-32.8178.2-140.891.4000112.7
979N39.2Very low41.9Very low113 Ų113124.7 Ų124.760%0.60471%0.713SS**Hα-helixtrans-83.8-20.7179.4-75-19.2000113.9L981N979-L981 VanDerWaalsContact C-N 3.35Å
980C41.7Very low41.9Very low98 Ų98126.3 Ų126.366%0.66271%0.714SS**Hα-helixtrans-79.7-16.7171.7-68.70000113.3L976 L982L976-C980 PolarHBondContact O-N 2.98Å; L976-C980 PolarHBondContact O-SG 3.3Å; L976-C980 VanDerWaalsContact O-SG 3.37Å; C980-L982 VanDerWaalsContact C-N 3.32Å
981L45.3Very low41.9Very low142 Ų142121.5 Ų121.574%0.74370%0.704SS**THydrogen-bonded Turntrans-84.4-1.2176.9-90158000114N979N979-L981 VanDerWaalsContact C-N 3.35Å
982L48.3Very low42Very low138 Ų138121.6 Ų121.672%0.72370%0.702SS**THydrogen-bonded Turntrans-111.45.1-177.9-83.3161.4000114.3C980C980-L982 VanDerWaalsContact C-N 3.32Å
983I45.5Very low42.2Very low145 Ų145122.5 Ų122.574%0.74471%0.711SS**SBendtrans-111.5-5.5-176.9-68.5176.7000114.1
984D35.4Very low42.2Very low152 Ų152122.7 Ų122.781%0.81371%0.708SS**  trans-139.298.5169-97.5-33.5000110.7
985C39.3Very low42.1Very low209 Ų209125 Ų125100%1.41272%0.718SS**  trans-170.50154.8-105.70000109.8

Retrieved 985 of 985 residues in 558.6 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).