A0A087XMR3_POEFO Loading...

Engulfment and cell motility 3

Involved in cytoskeletal rearrangements required for phagocytosis of apoptotic cells and cell motility. Acts in association with DOCK1 and CRK. Was initially proposed to be required in complex with DOCK1 to activate Rac Rho small GTPases. May enhance the guanine nucleotide exchange factor (GEF) activity of DOCK1.

AlphaFold DB , UniProt , Accession A0A087XMR3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 717 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
1M32.8Very low66.7Low232 Ų232103.8 Ų103.8100%1.14351%0.505SS*.  0135.10-64.6-175.589.900107.3Q3M1-Q3 PolarHBondContact O-N 3.18Å
2P35.9Very low68.7Low127 Ų12795.2 Ų95.283%0.82546%0.463SS*.  trans-62.5128.1174.3-8.623.5000107.7Q4P2-Q4 PolarHBondContact O-N 3.32Å
3Q43.3Very low70.4Confident154 Ų15492.6 Ų92.672%0.7245%0.45SS*.  trans-56.9122.6168-80.8175.8-20.300107.2M1 K5M1-Q3 PolarHBondContact O-N 3.18Å; Q3-K5 PolarHBondContact O-N 3.02Å
4Q53.5Low71.4Confident141 Ų14189.1 Ų89.166%0.65943%0.433SS*.  trans-59.3111.9169.3-81.3171.1-37.700106.7P2 D6 I7P2-Q4 PolarHBondContact O-N 3.32Å; Q4-D6 PolarHBondContact O-N 3.02Å; Q4-I7 HydrophobicContact CB-CD1 4.18Å; Q4-I7 HydrophobicContact CB-CG1 4.17Å; Q4-I7 PolarHBondContact O-N 3.06Å
5K60.2Low72Confident199 Ų19990.1 Ų90.187%0.86545%0.449SS*.THydrogen-bonded Turntrans-54.3-24.3-176.4-80.9-173.9171.6-172.10112.9Q3Q3-K5 PolarHBondContact O-N 3.02Å
6D73.9Confident72.4Confident61 Ų6190.4 Ų90.433%0.32648%0.482SS..THydrogen-bonded Turntrans-85.3-5.8-176.6-50.2-43.4000113.9Q4 Q26 K27Q4-D6 PolarHBondContact O-N 3.02Å; D6-Q26 VanDerWaalsContact O-CB 3.3Å; D6-Q26 WeakPolarHBondContact O-CB 3.49Å; D6-Q26 WeakPolarHBondContact O-CG 3.03Å; D6-Q26 PolarHBondContact O-N 2.66Å; D6-K27 WeakPolarHBondContact OD2-CE 3.39Å; D6-K27 IonicContact OD2-NZ 2.71Å; D6-K27 PolarHBondContact OD2-NZ 2.91Å
7I83.4Confident73.1Confident48 Ų4887 Ų8725%0.24647%0.47CS..EExtended strand (participates in β ladder)trans-108.6120.3-178.1-57.6-177.4000110.5Q4 Q23 L24Q4-I7 HydrophobicContact CB-CD1 4.18Å; Q4-I7 HydrophobicContact CB-CG1 4.17Å; Q4-I7 PolarHBondContact O-N 3.06Å; I7-Q23 HydrophobicContact CG2-CB 3.85Å; I7-L24 CarbonylContact C-O 3.48Å; I7-L24 WeakPolarHBondContact CA-O 3.33Å
8V85.8Confident73.7Confident9 Ų990.6 Ų90.66%0.05549%0.488CS..EExtended strand (participates in β ladder)trans-113.6128.6-179.1-166.50000110.2I10 Q23 L24 Q26 I68 K69 N70V8-I10 HydrophobicContact CG1-CG2 3.98Å; V8-Q23 CarbonylContact O-C 3.53Å; V8-L24 HydrophobicContact CB-CB 4.44Å; V8-L24 PolarHBondContact N-O 2.68Å; V8-L24 WeakPolarHBondContact O-CA 3.35Å; V8-L24 WeakPolarHBondContact O-CB 2.82Å; V8-L24 PolarHBondContact O-N 3Å; V8-Q26 HydrophobicContact CG2-CG 3.82Å; V8-I68 HydrophobicContact CG1-CG2 4.25Å; V8-K69 VanDerWaalsContact CG1-O 3.3Å; V8-K69 WeakPolarHBondContact CG1-O 3.38Å; V8-N70 HydrophobicContact CG1-CB 4.41Å; V8-N70 VanDerWaalsContact CG1-N 3.31Å
9R86.6Confident74.4Confident152 Ų15289.5 Ų89.557%0.57449%0.486SS*.EExtended strand (participates in β ladder)trans-87.7116.2175.8-62-178.9179.4166.9-0.1109I22 Q23 N70 G71R9-I22 WeakPolarHBondContact CA-O 3.5Å; R9-Q23 HydrophobicContact CG-CG 4.31Å; R9-N70 PolarHBondContact N-OD1 2.8Å; R9-N70 WeakPolarHBondContact O-CA 3.29Å; R9-G71 PolarHBondContact O-N 3.31Å
10I90.3Very high75Confident3 Ų386.7 Ų86.72%0.01547%0.47CS..EExtended strand (participates in β ladder)trans-126.6158.1-17757.1167000110.9V8 I12 L21 I22 L24 I68 C72 L74V8-I10 HydrophobicContact CG1-CG2 3.98Å; I10-I12 HydrophobicContact CD1-CD1 3.9Å; I10-I12 HydrophobicContact CD1-CG1 3.93Å; I10-I12 HydrophobicContact CG1-CG1 4.43Å; I10-L21 WeakPolarHBondContact O-CA 3.42Å; I10-I22 HydrophobicContact CG1-CB 4.32Å; I10-I22 PolarHBondContact N-O 2.82Å; I10-I22 PolarHBondContact O-N 3.11Å; I10-L24 HydrophobicContact CD1-CB 3.95Å; I10-L24 HydrophobicContact CD1-CD1 4.38Å; I10-L24 HydrophobicContact CD1-CD2 4.24Å; I10-L24 HydrophobicContact CD1-CG 4.44Å; I10-L24 HydrophobicContact CG1-CB 4.14Å; I10-I68 HydrophobicContact CG2-CG2 3.63Å; I10-C72 HydrophobicContact CG2-CB 4.35Å; I10-L74 HydrophobicContact CD1-CD1 3.75Å
11A88.4Confident75.6Confident16 Ų1689.9 Ų89.913%0.13249%0.485CS..EExtended strand (participates in β ladder)trans-108.8129.9167.500000108.9Q20 L21 C72 I73 L74A11-Q20 CarbonylContact C-O 3.57Å; A11-Q20 WeakPolarHBondContact CA-O 3.49Å; A11-L21 HydrophobicContact CB-CD2 3.82Å; A11-C72 PolarHBondContact N-O 2.62Å; A11-I73 HydrophobicContact CB-CG1 4.41Å; A11-I73 CarbonylContact O-C 3.56Å; A11-I73 WeakPolarHBondContact O-CA 3.4Å; A11-L74 PolarHBondContact O-N 2.81Å
12I90.3Very high78.2Confident0 Ų080 Ų800%044%0.437CS..EExtended strand (participates in β ladder)trans-111.2125.2175-51.9-177.9000108.7I10 P19 Q20 I22 V37 W41 L51 L74 L76I10-I12 HydrophobicContact CD1-CD1 3.9Å; I10-I12 HydrophobicContact CD1-CG1 3.93Å; I10-I12 HydrophobicContact CG1-CG1 4.43Å; I12-P19 CarbonylContact O-C 3.44Å; I12-P19 VanDerWaalsContact O-CA 3.29Å; I12-P19 WeakPolarHBondContact O-CA 3.43Å; I12-Q20 PolarHBondContact N-O 3.45Å; I12-Q20 PolarHBondContact O-N 2.77Å; I12-I22 HydrophobicContact CD1-CD1 3.79Å; I12-I22 HydrophobicContact CG1-CD1 4.49Å; I12-V37 HydrophobicContact CD1-CG1 4.37Å; I12-V37 HydrophobicContact CD1-CG2 3.48Å; I12-V37 VanDerWaalsContact CD1-CG2 3.48Å; I12-V37 HydrophobicContact CG2-CG1 4.17Å; I12-W41 HydrophobicContact CB-CH2 4.36Å; I12-W41 HydrophobicContact CG2-CH2 3.91Å; I12-W41 HydrophobicContact CG2-CZ3 4.14Å; I12-W41 WeakPolarHBondContact O-CH2 3.37Å; I12-L51 HydrophobicContact CD1-CD1 4.48Å; I12-L51 HydrophobicContact CD1-CD2 4.01Å; I12-L51 HydrophobicContact CG2-CD2 3.89Å; I12-L74 CarbonylContact C-O 3.59Å; I12-L74 WeakPolarHBondContact CA-O 3.48Å; I12-L74 HydrophobicContact CG1-CB 4.41Å; I12-L76 HydrophobicContact CG2-CB 4.09Å
13Q90.3Very high80.6Confident62 Ų6280.1 Ų80.129%0.2943%0.427SS..EExtended strand (participates in β ladder)trans-108.3147.6-179.2-61.7-172.2-0.600111.1P19 I73 L74 R75 L76Q13-P19 HydrophobicContact CG-CB 4.07Å; Q13-P19 HydrophobicContact CG-CG 4.1Å; Q13-I73 VanDerWaalsContact CD-CG2 3.46Å; Q13-I73 HydrophobicContact CG-CG2 3.74Å; Q13-I73 VanDerWaalsContact NE2-CG2 3.32Å; Q13-L74 PolarHBondContact N-O 2.73Å; Q13-R75 WeakPolarHBondContact O-CA 3.33Å; Q13-L76 PolarHBondContact O-N 3.11Å
14M85.4Confident82.6Confident44 Ų4472.9 Ų72.922%0.21739%0.393CS..  trans-139.9133.9171.4179.5-103.7-74.700108.2G16 A17 W41 L43M14-G16 PolarHBondContact O-N 3.48Å; M14-G16 VanDerWaalsContact O-N 3.16Å; M14-A17 HydrophobicContact CB-CB 4.3Å; M14-A17 HydrophobicContact CE-CB 3.51Å; M14-A17 PolarHBondContact O-N 3.33Å; M14-A17 HydrophobicContact SD-CB 3.74Å; M14-W41 HydrophobicContact CB-CD2 4.39Å; M14-W41 HydrophobicContact CB-CE3 3.93Å; M14-W41 HydrophobicContact CB-CH2 3.48Å; M14-W41 VanDerWaalsContact CB-CH2 3.48Å; M14-W41 HydrophobicContact CB-CZ2 3.97Å; M14-W41 HydrophobicContact CB-CZ3 3.46Å; M14-W41 VanDerWaalsContact CB-CZ3 3.46Å; M14-W41 HydrophobicContact CE-CB 3.91Å; M14-W41 HydrophobicContact CE-CD2 3.66Å; M14-W41 HydrophobicContact CE-CE3 3.82Å; M14-W41 HydrophobicContact CE-CG 3.74Å; M14-W41 HydrophobicContact CG-CE3 4.41Å; M14-W41 HydrophobicContact CG-CZ3 4.31Å; M14-L43 HydrophobicContact CE-CD1 4.23Å; M14-L43 HydrophobicContact CE-CD2 4.36Å
15P79.9Confident84.1Confident103 Ų10368.4 Ų68.467%0.66937%0.374SS*.THydrogen-bonded Turntrans-55.6121.2-178.4-26.234.6000111.8
16G78.6Confident85.2Confident95 Ų9560 Ų6098%0.97934%0.337SS*.THydrogen-bonded Turntrans86.82.8-179.900000115.7M14M14-G16 PolarHBondContact O-N 3.48Å; M14-G16 VanDerWaalsContact O-N 3.16Å
17A84.9Confident85.7Confident33 Ų3364.3 Ų64.327%0.27335%0.353SS..SBendtrans-120.3156.9175.100000112.5M14 W41M14-A17 HydrophobicContact CB-CB 4.3Å; M14-A17 HydrophobicContact CE-CB 3.51Å; M14-A17 PolarHBondContact O-N 3.33Å; M14-A17 HydrophobicContact SD-CB 3.74Å; A17-W41 HydrophobicContact CB-CZ2 4.46Å
18L82.8Confident85.8Confident151 Ų15165.8 Ų65.879%0.79136%0.358SS*.PPolyproline II helixtrans-68.9134.7173-74.7169.3000110.1W41L18-W41 WeakPolarHBondContact O-CZ2 3.3Å; L18-W41 PolarHBondContact O-NE1 3Å
19P86.5Confident85.9Confident71 Ų7168.4 Ų68.446%0.46138%0.375SS..PPolyproline II helixtrans-59139.1177.8-22.632.2000112.1I12 Q13I12-P19 CarbonylContact O-C 3.44Å; I12-P19 VanDerWaalsContact O-CA 3.29Å; I12-P19 WeakPolarHBondContact O-CA 3.43Å; Q13-P19 HydrophobicContact CG-CB 4.07Å; Q13-P19 HydrophobicContact CG-CG 4.1Å
20Q86.8Confident86Confident33 Ų3361.8 Ų61.815%0.15435%0.351CS..EExtended strand (participates in β ladder)trans-97.1132.3174.9-66.5-169.926.400111.2A11 I12 I22 S40 W41A11-Q20 CarbonylContact C-O 3.57Å; A11-Q20 WeakPolarHBondContact CA-O 3.49Å; I12-Q20 PolarHBondContact N-O 3.45Å; I12-Q20 PolarHBondContact O-N 2.77Å; Q20-I22 HydrophobicContact CB-CD1 4.31Å; Q20-I22 HydrophobicContact CB-CG1 4.2Å; Q20-S40 VanDerWaalsContact NE2-CB 3.3Å; Q20-S40 PolarHBondContact NE2-OG 3.35Å; Q20-S40 PolarHBondContact OE1-OG 3.02Å; Q20-W41 HydrophobicContact CB-CZ2 4.37Å; Q20-W41 HydrophobicContact CG-CZ2 3.71Å; Q20-W41 VanDerWaalsContact NE2-CD2 3.27Å; Q20-W41 VanDerWaalsContact NE2-CG 3.29Å; Q20-W41 VanDerWaalsContact NE2-NE1 3.12Å
21L88.6Confident85.8Confident153 Ų15365.6 Ų65.680%0.80138%0.378SS*.EExtended strand (participates in β ladder)trans-96.4114.8173.2-65.1173.7000109.1I10 A11I10-L21 WeakPolarHBondContact O-CA 3.42Å; A11-L21 HydrophobicContact CB-CD2 3.82Å
22I87.1Confident85.8Confident25 Ų2566.4 Ų66.413%0.12839%0.385CS..EExtended strand (participates in β ladder)trans-122141.3-173.8-55.4-174.6000109.8R9 I10 I12 Q20 L24 V37R9-I22 WeakPolarHBondContact CA-O 3.5Å; I10-I22 HydrophobicContact CG1-CB 4.32Å; I10-I22 PolarHBondContact N-O 2.82Å; I10-I22 PolarHBondContact O-N 3.11Å; I12-I22 HydrophobicContact CD1-CD1 3.79Å; I12-I22 HydrophobicContact CG1-CD1 4.49Å; Q20-I22 HydrophobicContact CB-CD1 4.31Å; Q20-I22 HydrophobicContact CB-CG1 4.2Å; I22-L24 PolarHBondContact O-N 2.81Å; I22-V37 HydrophobicContact CD1-CG2 3.38Å
23Q86.3Confident85.7Confident129 Ų12966.5 Ų66.560%0.60339%0.385SS*.EExtended strand (participates in β ladder)trans-90.992.2166.3-62.9-170.91.300107.8I7 V8 R9 D25I7-Q23 HydrophobicContact CG2-CB 3.85Å; V8-Q23 CarbonylContact O-C 3.53Å; R9-Q23 HydrophobicContact CG-CG 4.31Å; Q23-D25 PolarHBondContact O-N 3.15Å
24L84.6Confident85.7Confident2 Ų264.2 Ų64.21%0.0138%0.375CS..EExtended strand (participates in β ladder)trans-70.2113.9178.3-177.875.9000109.5I7 V8 I10 I22 V33 I68I7-L24 CarbonylContact C-O 3.48Å; I7-L24 WeakPolarHBondContact CA-O 3.33Å; V8-L24 HydrophobicContact CB-CB 4.44Å; V8-L24 PolarHBondContact N-O 2.68Å; V8-L24 WeakPolarHBondContact O-CA 3.35Å; V8-L24 WeakPolarHBondContact O-CB 2.82Å; V8-L24 PolarHBondContact O-N 3Å; I10-L24 HydrophobicContact CD1-CB 3.95Å; I10-L24 HydrophobicContact CD1-CD1 4.38Å; I10-L24 HydrophobicContact CD1-CD2 4.24Å; I10-L24 HydrophobicContact CD1-CG 4.44Å; I10-L24 HydrophobicContact CG1-CB 4.14Å; I22-L24 PolarHBondContact O-N 2.81Å; L24-V33 HydrophobicContact CD1-CB 3.99Å; L24-V33 HydrophobicContact CD1-CG1 3.4Å; L24-V33 HydrophobicContact CD1-CG2 3.49Å; L24-V33 VanDerWaalsContact CD1-CG2 3.49Å; L24-I68 HydrophobicContact CD2-CD1 3.86Å; L24-I68 HydrophobicContact CD2-CG2 4.25Å
25D86.3Confident85.8Confident48 Ų4867.6 Ų67.626%0.25739%0.388SS..EExtended strand (participates in β ladder)trans-82.6115.6168.2-178-5000109.5Q23 K27 K28 R65Q23-D25 PolarHBondContact O-N 3.15Å; D25-K27 PolarHBondContact O-N 2.83Å; D25-K27 VanDerWaalsContact O-N 3.11Å; D25-K27 WeakPolarHBondContact OD1-CB 3.49Å; D25-K27 PolarHBondContact OD1-N 3.27Å; D25-K28 HydrophobicContact CB-CB 4.37Å; D25-K28 HydrophobicContact CB-CD 4.11Å; D25-K28 HydrophobicContact CB-CG 3.96Å; D25-K28 WeakPolarHBondContact O-CB 3.44Å; D25-K28 PolarHBondContact O-N 3.34Å; D25-R65 PolarHBondContact O-NH2 2.98Å
26Q83.1Confident86.2Confident22 Ų2266.9 Ų66.910%0.10338%0.376CS..THydrogen-bonded Turntrans-66.5-7.6179.6-69.1-72.317.700113.7D6 V8 R65D6-Q26 VanDerWaalsContact O-CB 3.3Å; D6-Q26 WeakPolarHBondContact O-CB 3.49Å; D6-Q26 WeakPolarHBondContact O-CG 3.03Å; D6-Q26 PolarHBondContact O-N 2.66Å; V8-Q26 HydrophobicContact CG2-CG 3.82Å; Q26-R65 VanDerWaalsContact CA-NH2 3.26Å; Q26-R65 PolarHBondContact NE2-O 3.21Å; Q26-R65 PolarHBondContact O-NH2 2.74Å; Q26-R65 PolarHBondContact OE1-O 3.42Å
27K83.4Confident86.7Confident151 Ų15162.4 Ų62.466%0.65733%0.33SS*.THydrogen-bonded Turntrans-91-19171.2-65.7176.2178.2158.80113.4D6 D25D6-K27 WeakPolarHBondContact OD2-CE 3.39Å; D6-K27 IonicContact OD2-NZ 2.71Å; D6-K27 PolarHBondContact OD2-NZ 2.91Å; D25-K27 PolarHBondContact O-N 2.83Å; D25-K27 VanDerWaalsContact O-N 3.11Å; D25-K27 WeakPolarHBondContact OD1-CB 3.49Å; D25-K27 PolarHBondContact OD1-N 3.27Å
28K86.2Confident86.9Confident79 Ų7960.8 Ų60.834%0.34332%0.317SS..SBendtrans-77.2136.5176.6-75.9-174.9175.9-171.90109.9D25 V33 E36 R65D25-K28 HydrophobicContact CB-CB 4.37Å; D25-K28 HydrophobicContact CB-CD 4.11Å; D25-K28 HydrophobicContact CB-CG 3.96Å; D25-K28 WeakPolarHBondContact O-CB 3.44Å; D25-K28 PolarHBondContact O-N 3.34Å; K28-V33 HydrophobicContact CB-CG2 4.33Å; K28-E36 IonicContact NZ-OE1 3.63Å; K28-E36 PolarHBondContact NZ-OE1 2.94Å; K28-E36 IonicContact NZ-OE2 2.66Å; K28-R65 PolarHBondContact O-NH1 2.8Å; K28-R65 PolarHBondContact O-NH2 3.36Å
29P87.8Confident87.1Confident65 Ų6558 Ų5842%0.42230%0.303SS..  trans-59.8144.3175.225.3-33.1000111.1S31 A32 V33P29-S31 PolarHBondContact O-N 3.02Å; P29-A32 HydrophobicContact CG-CB 3.93Å; P29-A32 WeakPolarHBondContact O-CB 3.49Å; P29-A32 PolarHBondContact O-N 2.82Å; P29-V33 PolarHBondContact O-N 3.47Å
30L87.7Confident87.1Confident13 Ų1357.5 Ų57.57%0.06830%0.301CS..Hα-helixtrans-58.3-34.4-177.2-161.786.2000111.3A32 V33 I34 L51 I60 E62L30-A32 VanDerWaalsContact C-N 3.31Å; L30-A32 PolarHBondContact O-N 2.87Å; L30-V33 WeakPolarHBondContact O-CB 3.45Å; L30-V33 PolarHBondContact O-N 2.85Å; L30-V33 VanDerWaalsContact O-N 3.17Å; L30-I34 HydrophobicContact CD2-CD1 3.93Å; L30-I34 HydrophobicContact CG-CD1 4.06Å; L30-I34 WeakPolarHBondContact O-CG1 3.47Å; L30-I34 PolarHBondContact O-N 3.23Å; L30-L51 HydrophobicContact CD1-CD1 4.31Å; L30-I60 HydrophobicContact CD1-CG2 3.84Å; L30-I60 HydrophobicContact CD2-CG2 4.18Å; L30-I60 WeakPolarHBondContact CD2-O 3.27Å; L30-E62 VanDerWaalsContact CB-OE1 3.27Å; L30-E62 WeakPolarHBondContact CB-OE1 3.25Å; L30-E62 PolarHBondContact N-OE1 2.95Å
31S87.9Confident87.2Confident82 Ų8258 Ų5857%0.57330%0.301SS*.Hα-helixtrans-60.8-35.8175.857.40000113.5P29 K35P29-S31 PolarHBondContact O-N 3.02Å; S31-K35 WeakPolarHBondContact O-CB 3.28Å; S31-K35 PolarHBondContact O-N 2.8Å
32A88.1Confident87.1Confident34 Ų3457.8 Ų57.828%0.28130%0.301SS..Hα-helixtrans-70.3-39.3175.400000111.1P29 L30 K35 E36P29-A32 HydrophobicContact CG-CB 3.93Å; P29-A32 WeakPolarHBondContact O-CB 3.49Å; P29-A32 PolarHBondContact O-N 2.82Å; L30-A32 VanDerWaalsContact C-N 3.31Å; L30-A32 PolarHBondContact O-N 2.87Å; A32-K35 WeakPolarHBondContact O-CB 3.47Å; A32-K35 PolarHBondContact O-N 3.05Å; A32-E36 WeakPolarHBondContact O-CG 3.17Å; A32-E36 PolarHBondContact O-N 3.38Å
33V87.4Confident87.1Confident2 Ų258.2 Ų58.21%0.01230%0.303CS..Hα-helixtrans-64-48.3176.2178.40000110.3L24 K28 P29 L30 K35 E36 V37L24-V33 HydrophobicContact CD1-CB 3.99Å; L24-V33 HydrophobicContact CD1-CG1 3.4Å; L24-V33 HydrophobicContact CD1-CG2 3.49Å; L24-V33 VanDerWaalsContact CD1-CG2 3.49Å; K28-V33 HydrophobicContact CB-CG2 4.33Å; P29-V33 PolarHBondContact O-N 3.47Å; L30-V33 WeakPolarHBondContact O-CB 3.45Å; L30-V33 PolarHBondContact O-N 2.85Å; L30-V33 VanDerWaalsContact O-N 3.17Å; V33-K35 PolarHBondContact O-N 3.31Å; V33-E36 PolarHBondContact O-N 3.27Å; V33-E36 VanDerWaalsContact O-N 3.15Å; V33-V37 HydrophobicContact CG1-CG2 4.5Å; V33-V37 VanDerWaalsContact O-CG2 3.23Å; V33-V37 WeakPolarHBondContact O-CG2 3.3Å; V33-V37 PolarHBondContact O-N 3.21Å
34I89.8Confident87.1Confident14 Ų1457 Ų577%0.07231%0.307CS..Hα-helixtrans-59-40.7177.4-67.9163.7000110.2L30 V37 C38 P46 L51L30-I34 HydrophobicContact CD2-CD1 3.93Å; L30-I34 HydrophobicContact CG-CD1 4.06Å; L30-I34 WeakPolarHBondContact O-CG1 3.47Å; L30-I34 PolarHBondContact O-N 3.23Å; I34-V37 PolarHBondContact O-N 2.95Å; I34-C38 WeakPolarHBondContact O-CB 3.33Å; I34-C38 PolarHBondContact O-N 2.79Å; I34-C38 PolarHBondContact O-SG 2.77Å; I34-P46 HydrophobicContact CG2-CB 4.43Å; I34-P46 WeakPolarHBondContact CG2-O 3.44Å; I34-L51 HydrophobicContact CG1-CD1 4.42Å; I34-L51 HydrophobicContact CG1-CG 4.24Å
35K88.9Confident87.2Confident114 Ų11457.9 Ų57.950%0.49632%0.316SS..Hα-helixtrans-60.3-47.4174.9-174.9175.4179.7-178.80112.4S31 A32 V33 V37 C38 D39 P46S31-K35 WeakPolarHBondContact O-CB 3.28Å; S31-K35 PolarHBondContact O-N 2.8Å; A32-K35 WeakPolarHBondContact O-CB 3.47Å; A32-K35 PolarHBondContact O-N 3.05Å; V33-K35 PolarHBondContact O-N 3.31Å; K35-V37 VanDerWaalsContact C-N 3.26Å; K35-V37 PolarHBondContact O-N 3.32Å; K35-C38 PolarHBondContact O-N 3.19Å; K35-D39 WeakPolarHBondContact O-CB 3.36Å; K35-D39 PolarHBondContact O-N 3.16Å; K35-P46 HydrophobicContact CB-CB 4.19Å; K35-P46 HydrophobicContact CB-CG 4.38Å; K35-P46 HydrophobicContact CG-CB 4.45Å; K35-P46 HydrophobicContact CG-CG 4.2Å
36E88.3Confident87.2Confident89 Ų8957.1 Ų57.142%0.41631%0.314SS..Hα-helixtrans-58.5-37.6176.1-70.5175-171.400111.9K28 A32 V33 S40K28-E36 IonicContact NZ-OE1 3.63Å; K28-E36 PolarHBondContact NZ-OE1 2.94Å; K28-E36 IonicContact NZ-OE2 2.66Å; A32-E36 WeakPolarHBondContact O-CG 3.17Å; A32-E36 PolarHBondContact O-N 3.38Å; V33-E36 PolarHBondContact O-N 3.27Å; V33-E36 VanDerWaalsContact O-N 3.15Å; E36-S40 PolarHBondContact O-N 3.22Å; E36-S40 PolarHBondContact O-OG 3.33Å
37V88.1Confident87.4Confident0 Ų062.7 Ų62.70%034%0.339CS..Hα-helixtrans-71.6-42.2177179.10000112.4I12 I22 V33 I34 K35 S40 W41 L76I12-V37 HydrophobicContact CD1-CG1 4.37Å; I12-V37 HydrophobicContact CD1-CG2 3.48Å; I12-V37 VanDerWaalsContact CD1-CG2 3.48Å; I12-V37 HydrophobicContact CG2-CG1 4.17Å; I22-V37 HydrophobicContact CD1-CG2 3.38Å; V33-V37 HydrophobicContact CG1-CG2 4.5Å; V33-V37 VanDerWaalsContact O-CG2 3.23Å; V33-V37 WeakPolarHBondContact O-CG2 3.3Å; V33-V37 PolarHBondContact O-N 3.21Å; I34-V37 PolarHBondContact O-N 2.95Å; K35-V37 VanDerWaalsContact C-N 3.26Å; K35-V37 PolarHBondContact O-N 3.32Å; V37-S40 VanDerWaalsContact C-OG 3.29Å; V37-S40 WeakPolarHBondContact CA-OG 3.24Å; V37-S40 PolarHBondContact O-OG 2.78Å; V37-W41 HydrophobicContact CG1-CE3 3.77Å; V37-W41 HydrophobicContact CG1-CH2 4.35Å; V37-W41 HydrophobicContact CG1-CZ3 3.58Å; V37-W41 PolarHBondContact O-N 3.27Å; V37-L76 HydrophobicContact CG1-CD1 4.29Å; V37-L76 HydrophobicContact CG1-CD2 4.11Å
38C88.6Confident87.6Confident0 Ų057.4 Ų57.40%032%0.318CS..Hα-helixtrans-67.5-42.1177.9-71.30000111I34 K35 S40 W41 N42 L43 P46 Y49I34-C38 WeakPolarHBondContact O-CB 3.33Å; I34-C38 PolarHBondContact O-N 2.79Å; I34-C38 PolarHBondContact O-SG 2.77Å; K35-C38 PolarHBondContact O-N 3.19Å; C38-S40 VanDerWaalsContact C-N 3.29Å; C38-S40 PolarHBondContact O-N 3Å; C38-W41 CarbonylContact O-C 3.53Å; C38-W41 PolarHBondContact O-N 3.38Å; C38-N42 PolarHBondContact O-N 3.32Å; C38-L43 HydrophobicContact CB-CB 4.08Å; C38-L43 PolarHBondContact O-N 3.37Å; C38-P46 HydrophobicContact CB-CB 4.03Å; C38-Y49 VanDerWaalsContact SG-CD2 3.58Å
39D88.4Confident87.8Confident93 Ų9356.5 Ų56.550%0.49731%0.313SS..Hα-helixtrans-61.4-39.3179.5-71.2-17.3000111.3K35 N42K35-D39 WeakPolarHBondContact O-CB 3.36Å; K35-D39 PolarHBondContact O-N 3.16Å; D39-N42 PolarHBondContact O-N 3.28Å
40S86.1Confident87.9Confident60 Ų6053.8 Ų53.842%0.4230%0.296SS..Hα-helixtrans-72-27.1179.144.30000114Q20 E36 V37 C38Q20-S40 VanDerWaalsContact NE2-CB 3.3Å; Q20-S40 PolarHBondContact NE2-OG 3.35Å; Q20-S40 PolarHBondContact OE1-OG 3.02Å; E36-S40 PolarHBondContact O-N 3.22Å; E36-S40 PolarHBondContact O-OG 3.33Å; V37-S40 VanDerWaalsContact C-OG 3.29Å; V37-S40 WeakPolarHBondContact CA-OG 3.24Å; V37-S40 PolarHBondContact O-OG 2.78Å; C38-S40 VanDerWaalsContact C-N 3.29Å; C38-S40 PolarHBondContact O-N 3Å
41W87.9Confident88Confident43 Ų4353.1 Ų53.116%0.16329%0.293CS..THydrogen-bonded Turntrans-95.76.9169.8-73.7-34.3000113.9I12 M14 A17 L18 Q20 V37 C38 L43 L76I12-W41 HydrophobicContact CB-CH2 4.36Å; I12-W41 HydrophobicContact CG2-CH2 3.91Å; I12-W41 HydrophobicContact CG2-CZ3 4.14Å; I12-W41 WeakPolarHBondContact O-CH2 3.37Å; M14-W41 HydrophobicContact CB-CD2 4.39Å; M14-W41 HydrophobicContact CB-CE3 3.93Å; M14-W41 HydrophobicContact CB-CH2 3.48Å; M14-W41 VanDerWaalsContact CB-CH2 3.48Å; M14-W41 HydrophobicContact CB-CZ2 3.97Å; M14-W41 HydrophobicContact CB-CZ3 3.46Å; M14-W41 VanDerWaalsContact CB-CZ3 3.46Å; M14-W41 HydrophobicContact CE-CB 3.91Å; M14-W41 HydrophobicContact CE-CD2 3.66Å; M14-W41 HydrophobicContact CE-CE3 3.82Å; M14-W41 HydrophobicContact CE-CG 3.74Å; M14-W41 HydrophobicContact CG-CE3 4.41Å; M14-W41 HydrophobicContact CG-CZ3 4.31Å; A17-W41 HydrophobicContact CB-CZ2 4.46Å; L18-W41 WeakPolarHBondContact O-CZ2 3.3Å; L18-W41 PolarHBondContact O-NE1 3Å; Q20-W41 HydrophobicContact CB-CZ2 4.37Å; Q20-W41 HydrophobicContact CG-CZ2 3.71Å; Q20-W41 VanDerWaalsContact NE2-CD2 3.27Å; Q20-W41 VanDerWaalsContact NE2-CG 3.29Å; Q20-W41 VanDerWaalsContact NE2-NE1 3.12Å; V37-W41 HydrophobicContact CG1-CE3 3.77Å; V37-W41 HydrophobicContact CG1-CH2 4.35Å; V37-W41 HydrophobicContact CG1-CZ3 3.58Å; V37-W41 PolarHBondContact O-N 3.27Å; C38-W41 CarbonylContact O-C 3.53Å; C38-W41 PolarHBondContact O-N 3.38Å; W41-L43 HydrophobicContact CB-CD1 4.21Å; W41-L43 HydrophobicContact CB-CG 3.98Å; W41-L43 HydrophobicContact CE3-CD1 4.27Å; W41-L43 PolarHBondContact O-N 3.23Å; W41-L76 HydrophobicContact CE3-CD2 3.73Å; W41-L76 HydrophobicContact CZ3-CB 3.78Å; W41-L76 HydrophobicContact CZ3-CD2 3.64Å; W41-L76 HydrophobicContact CZ3-CG 4.32Å
42N87.3Confident88Confident148 Ų14850 Ų5079%0.79127%0.27SS*.THydrogen-bonded Turntrans5336.9-175.4-62.6-55.8000113.7C38 D39C38-N42 PolarHBondContact O-N 3.32Å; D39-N42 PolarHBondContact O-N 3.28Å
43L86.9Confident87.8Confident35 Ų3550.3 Ų50.318%0.18326%0.264CS..  trans-84.7126.8178.1-64.6176.1000110.8M14 C38 W41 Y49 L76M14-L43 HydrophobicContact CE-CD1 4.23Å; M14-L43 HydrophobicContact CE-CD2 4.36Å; C38-L43 HydrophobicContact CB-CB 4.08Å; C38-L43 PolarHBondContact O-N 3.37Å; W41-L43 HydrophobicContact CB-CD1 4.21Å; W41-L43 HydrophobicContact CB-CG 3.98Å; W41-L43 HydrophobicContact CE3-CD1 4.27Å; W41-L43 PolarHBondContact O-N 3.23Å; L43-Y49 HydrophobicContact CB-CE2 4.02Å; L43-Y49 HydrophobicContact CD1-CE1 4.05Å; L43-Y49 HydrophobicContact CD1-CE2 4.4Å; L43-L76 HydrophobicContact CD1-CD2 3.54Å
44P87.1Confident87.4Confident104 Ų10452.7 Ų52.768%0.67528%0.276SS*.SBendtrans-76.4143.7177.730.8-34000111.5
45G85.5Confident86.3Confident20 Ų2055.6 Ų55.621%0.20631%0.31CS..  trans68.272.3172.500000113.2E47 N48G45-E47 VanDerWaalsContact C-OE2 3.29Å; G45-E47 WeakPolarHBondContact CA-OE1 3.37Å; G45-E47 WeakPolarHBondContact CA-OE2 3.4Å; G45-E47 PolarHBondContact O-N 2.82Å; G45-E47 VanDerWaalsContact O-N 3.1Å; G45-N48 WeakPolarHBondContact O-CB 3.22Å; G45-N48 PolarHBondContact O-N 2.85Å; G45-N48 PolarHBondContact O-ND2 2.86Å
46P86.2Confident85.4Confident32 Ų3251.8 Ų51.821%0.20830%0.296CS..G310 helixtrans-56.9-25.3-177.423.2-33.4000113.7I34 K35 C38 N48 Y49I34-P46 HydrophobicContact CG2-CB 4.43Å; I34-P46 WeakPolarHBondContact CG2-O 3.44Å; K35-P46 HydrophobicContact CB-CB 4.19Å; K35-P46 HydrophobicContact CB-CG 4.38Å; K35-P46 HydrophobicContact CG-CB 4.45Å; K35-P46 HydrophobicContact CG-CG 4.2Å; C38-P46 HydrophobicContact CB-CB 4.03Å; P46-N48 PolarHBondContact O-N 3.33Å; P46-Y49 PolarHBondContact O-N 2.87Å
47E86.9Confident84.6Confident138 Ų13851.5 Ų51.565%0.64530%0.295SS*.G310 helixtrans-62.3-18.3172.765.9-74.4167.200114.4G45 Y49G45-E47 VanDerWaalsContact C-OE2 3.29Å; G45-E47 WeakPolarHBondContact CA-OE1 3.37Å; G45-E47 WeakPolarHBondContact CA-OE2 3.4Å; G45-E47 PolarHBondContact O-N 2.82Å; G45-E47 VanDerWaalsContact O-N 3.1Å; E47-Y49 VanDerWaalsContact C-N 3.28Å; E47-Y49 PolarHBondContact O-N 3.26Å
48N88Confident84.3Confident40 Ų4054 Ų5421%0.21431%0.307CS..G310 helixtrans-84.3-0.8177.9-60.7-75.6000113.3G45 P46 K78 A79 R82G45-N48 WeakPolarHBondContact O-CB 3.22Å; G45-N48 PolarHBondContact O-N 2.85Å; G45-N48 PolarHBondContact O-ND2 2.86Å; P46-N48 PolarHBondContact O-N 3.33Å; N48-K78 CarbonylContact O-C 3.54Å; N48-K78 WeakPolarHBondContact O-CA 3.39Å; N48-A79 PolarHBondContact O-N 3.09Å; N48-R82 HydrophobicContact CB-CG 4.21Å; N48-R82 WeakPolarHBondContact OD1-CG 3.15Å; N48-R82 PolarHBondContact OD1-NE 3.1Å
49Y90.1Very high84.3Confident60 Ų6054.1 Ų54.124%0.23531%0.308CS..EExtended strand (participates in β ladder)trans-120.9151.9-176.1-57.8-86.7000112C38 L43 P46 E47 L76 T77C38-Y49 VanDerWaalsContact SG-CD2 3.58Å; L43-Y49 HydrophobicContact CB-CE2 4.02Å; L43-Y49 HydrophobicContact CD1-CE1 4.05Å; L43-Y49 HydrophobicContact CD1-CE2 4.4Å; P46-Y49 PolarHBondContact O-N 2.87Å; E47-Y49 VanDerWaalsContact C-N 3.28Å; E47-Y49 PolarHBondContact O-N 3.26Å; Y49-L76 HydrophobicContact CD1-CD2 4.1Å; Y49-L76 HydrophobicContact CD1-CG 4.16Å; Y49-L76 HydrophobicContact CG-CD2 4.29Å; Y49-L76 HydrophobicContact CG-CG 4.39Å; Y49-T77 CarbonylContact C-O 3.47Å; Y49-T77 VanDerWaalsContact CA-O 3.22Å; Y49-T77 WeakPolarHBondContact CA-O 3.26Å
50A90.6Very high84.2Confident8 Ų850 Ų507%0.06629%0.285CS..EExtended strand (participates in β ladder)trans-140.8165.7171.600000110.5Y59 T77 A79A50-Y59 HydrophobicContact CB-CD1 3.95Å; A50-Y59 HydrophobicContact CB-CE1 4.18Å; A50-T77 PolarHBondContact N-O 3.26Å; A50-T77 WeakPolarHBondContact O-CG2 3.5Å; A50-T77 PolarHBondContact O-N 2.94Å; A50-A79 HydrophobicContact CB-CB 4.38Å
51L90Very high84.3Confident0 Ų048.7 Ų48.70%028%0.275CS..EExtended strand (participates in β ladder)trans-96.3138.6175.4-62.4173.6000109.6I12 L30 I34 I60 L74 R75 L76I12-L51 HydrophobicContact CD1-CD1 4.48Å; I12-L51 HydrophobicContact CD1-CD2 4.01Å; I12-L51 HydrophobicContact CG2-CD2 3.89Å; L30-L51 HydrophobicContact CD1-CD1 4.31Å; I34-L51 HydrophobicContact CG1-CD1 4.42Å; I34-L51 HydrophobicContact CG1-CG 4.24Å; L51-I60 HydrophobicContact CB-CB 4.16Å; L51-I60 HydrophobicContact CB-CD1 3.84Å; L51-I60 HydrophobicContact CB-CG1 4.45Å; L51-I60 WeakPolarHBondContact O-CB 3.32Å; L51-I60 PolarHBondContact O-N 2.73Å; L51-L74 HydrophobicContact CB-CD1 4.43Å; L51-L74 HydrophobicContact CD1-CD1 4.08Å; L51-L74 HydrophobicContact CD2-CB 4.49Å; L51-R75 WeakPolarHBondContact CA-O 3.32Å; L51-L76 HydrophobicContact CD2-CD1 3.86Å
52Q87.9Confident84.1Confident17 Ų1751.4 Ų51.48%0.07929%0.289CS..EExtended strand (participates in β ladder)trans-131.6151.4175.8-170.4176.543.300108.6Q57 M58 L74 R75 T77Q52-Q57 PolarHBondContact NE2-O 2.79Å; Q52-M58 VanDerWaalsContact CG-O 3.3Å; Q52-M58 WeakPolarHBondContact CG-O 3.42Å; Q52-L74 CarbonylContact O-C 3.6Å; Q52-L74 WeakPolarHBondContact O-CA 3.48Å; Q52-R75 PolarHBondContact N-O 3.07Å; Q52-R75 PolarHBondContact O-N 3.25Å; Q52-T77 HydrophobicContact CB-CG2 3.57Å
53Y84Confident83.7Confident40 Ų4049.3 Ų49.316%0.15729%0.286CS..EExtended strand (participates in β ladder)trans-65.7140.9171.5-72.3-80.4000110.5G55 M58 I60 L74Y53-G55 PolarHBondContact O-N 2.99Å; Y53-M58 HydrophobicContact CD2-CB 4.39Å; Y53-M58 PolarHBondContact N-O 3.45Å; Y53-I60 HydrophobicContact CD2-CG1 4.22Å; Y53-I60 HydrophobicContact CE2-CD1 4.32Å; Y53-I60 HydrophobicContact CE2-CG1 3.86Å; Y53-L74 HydrophobicContact CD1-CD2 3.9Å; Y53-L74 HydrophobicContact CE1-CD2 4.1Å
54D77.9Confident83.5Confident51 Ų5148.9 Ų48.927%0.27328%0.284SS..SBendtrans-72.7128.8174.9-166.141.2000110.1V56 I73 R75D54-V56 PolarHBondContact O-N 3.17Å; D54-I73 HydrophobicContact CB-CB 4.22Å; D54-I73 HydrophobicContact CB-CG2 3.91Å; D54-I73 WeakPolarHBondContact CB-O 3.23Å; D54-I73 PolarHBondContact N-O 3.31Å; D54-R75 IonicContact OD1-CZ 3.35Å; D54-R75 IonicContact OD1-NE 2.77Å; D54-R75 PolarHBondContact OD1-NE 3.35Å; D54-R75 IonicContact OD1-NH2 3.12Å; D54-R75 PolarHBondContact OD1-NH2 3.38Å
55G68.3Low83.2Confident76 Ų7644.7 Ų44.778%0.78426%0.255SS*.SBendtrans82.5-23.2-176.900000115.7Y53Y53-G55 PolarHBondContact O-N 2.99Å
56V69.2Low82.9Confident34 Ų3448.8 Ų48.821%0.20627%0.271CS..SBendtrans-114115.6177.2-1760000108.2D54 M58D54-V56 PolarHBondContact O-N 3.17Å; V56-M58 HydrophobicContact CG1-CB 4.1Å; V56-M58 HydrophobicContact CG1-CG 3.62Å; V56-M58 PolarHBondContact O-N 3.2Å
57Q72.3Confident82.4Confident82 Ų8252 Ų5238%0.38329%0.287SS..  trans-71.642.3-175.7-69.9-174.5-1300114.3Q52 S108Q52-Q57 PolarHBondContact NE2-O 2.79Å; Q57-S108 PolarHBondContact NE2-OG 3.03Å; Q57-S108 VanDerWaalsContact NE2-OG 3.16Å; Q57-S108 PolarHBondContact OE1-O 3.3Å; Q57-S108 VanDerWaalsContact OE1-O 3.06Å; Q57-S108 PolarHBondContact OE1-OG 3.27Å; Q57-S108 VanDerWaalsContact OE1-OG 3.06Å
58M81.7Confident82.1Confident53 Ų5345.7 Ų45.726%0.26126%0.258SS..  trans-106.3122.9-179.8-68.9-68.2-58.400110.1Q52 Y53 V56 D112Q52-M58 VanDerWaalsContact CG-O 3.3Å; Q52-M58 WeakPolarHBondContact CG-O 3.42Å; Y53-M58 HydrophobicContact CD2-CB 4.39Å; Y53-M58 PolarHBondContact N-O 3.45Å; V56-M58 HydrophobicContact CG1-CB 4.1Å; V56-M58 HydrophobicContact CG1-CG 3.62Å; V56-M58 PolarHBondContact O-N 3.2Å; M58-D112 WeakPolarHBondContact CE-OD1 3.39Å; M58-D112 HydrophobicContact SD-CB 3.84Å; M58-D112 VanDerWaalsContact SD-OD1 3.38Å
59Y87.9Confident81.8Confident3 Ų347.6 Ų47.61%0.01226%0.264CS..BIsolated β-bridgetrans-75.3150.7179.4-75.1-87.3000111.8A50 N64 T77 K78 P80 D112 T114 F115A50-Y59 HydrophobicContact CB-CD1 3.95Å; A50-Y59 HydrophobicContact CB-CE1 4.18Å; Y59-N64 PolarHBondContact O-ND2 3.21Å; Y59-T77 HydrophobicContact CD1-CG2 4.37Å; Y59-T77 HydrophobicContact CE1-CG2 3.78Å; Y59-K78 WeakPolarHBondContact CE1-O 3.26Å; Y59-P80 HydrophobicContact CD1-CG 3.59Å; Y59-P80 HydrophobicContact CD2-CG 4.13Å; Y59-P80 HydrophobicContact CE1-CG 3.76Å; Y59-P80 HydrophobicContact CE2-CG 4.3Å; Y59-P80 HydrophobicContact CG-CG 3.76Å; Y59-D112 WeakPolarHBondContact CD2-OD2 3.43Å; Y59-T114 WeakPolarHBondContact CB-OG1 3.02Å; Y59-F115 HydrophobicContact CD2-CB 4.22Å; Y59-F115 HydrophobicContact CE2-CB 3.94Å
60I87.4Confident81.3Confident6 Ų649.2 Ų49.23%0.03128%0.277CS..  trans-93.8126.7173.9-64.2166.9000109.1L30 L51 Y53 N64 R65 I68 L74L30-I60 HydrophobicContact CD1-CG2 3.84Å; L30-I60 HydrophobicContact CD2-CG2 4.18Å; L30-I60 WeakPolarHBondContact CD2-O 3.27Å; L51-I60 HydrophobicContact CB-CB 4.16Å; L51-I60 HydrophobicContact CB-CD1 3.84Å; L51-I60 HydrophobicContact CB-CG1 4.45Å; L51-I60 WeakPolarHBondContact O-CB 3.32Å; L51-I60 PolarHBondContact O-N 2.73Å; Y53-I60 HydrophobicContact CD2-CG1 4.22Å; Y53-I60 HydrophobicContact CE2-CD1 4.32Å; Y53-I60 HydrophobicContact CE2-CG1 3.86Å; I60-N64 VanDerWaalsContact CA-OD1 3.26Å; I60-N64 WeakPolarHBondContact CA-OD1 3.39Å; I60-R65 HydrophobicContact CG2-CB 4.38Å; I60-I68 HydrophobicContact CD1-CD1 3.99Å; I60-I68 HydrophobicContact CD1-CG1 4.29Å; I60-I68 HydrophobicContact CG2-CD1 3.86Å; I60-L74 HydrophobicContact CD1-CD1 3.6Å; I60-L74 HydrophobicContact CD1-CD2 3.47Å; I60-L74 VanDerWaalsContact CD1-CD2 3.47Å; I60-L74 HydrophobicContact CD1-CG 4.09Å
61T86.9Confident80.8Confident33 Ų3351.8 Ų51.820%0.20230%0.304CS..  trans-123.1172.917663.40000110.5S63 N64 R65 T114T61-S63 PolarHBondContact O-N 2.9Å; T61-S63 VanDerWaalsContact O-N 3.14Å; T61-S63 PolarHBondContact OG1-N 2.83Å; T61-S63 PolarHBondContact OG1-OG 2.82Å; T61-N64 PolarHBondContact N-OD1 3.17Å; T61-N64 PolarHBondContact O-N 3.35Å; T61-N64 PolarHBondContact O-OD1 3.04Å; T61-N64 VanDerWaalsContact O-OD1 3.09Å; T61-R65 WeakPolarHBondContact O-CB 3.48Å; T61-R65 PolarHBondContact O-N 3.18Å; T61-T114 HydrophobicContact CG2-CG2 3.49Å; T61-T114 VanDerWaalsContact CG2-CG2 3.49Å
62E84.4Confident80.4Confident100 Ų10053.2 Ų53.247%0.46731%0.314SS..THydrogen-bonded Turntrans-61.1-19.6173.6-66.8-67.4169.700113.3L30 R65L30-E62 VanDerWaalsContact CB-OE1 3.27Å; L30-E62 WeakPolarHBondContact CB-OE1 3.25Å; L30-E62 PolarHBondContact N-OE1 2.95Å; E62-R65 WeakPolarHBondContact O-CG 3.31Å; E62-R65 IonicContact OE1-NH1 3.6Å; E62-R65 WeakPolarHBondContact OE2-CD 3.48Å; E62-R65 IonicContact OE2-CZ 2.82Å; E62-R65 IonicContact OE2-NE 2.73Å; E62-R65 IonicContact OE2-NH1 2.62Å; E62-R65 PolarHBondContact OE2-NH1 3.16Å
63S79.3Confident80.3Confident103 Ų10355.9 Ų55.972%0.7233%0.328SS*.THydrogen-bonded Turntrans-84.4-28.7178.6600000113.7T61T61-S63 PolarHBondContact O-N 2.9Å; T61-S63 VanDerWaalsContact O-N 3.14Å; T61-S63 PolarHBondContact OG1-N 2.83Å; T61-S63 PolarHBondContact OG1-OG 2.82Å
64N81.7Confident80.5Confident27 Ų2754 Ų5414%0.14432%0.32CS..THydrogen-bonded Turntrans-113-0.5-177.670.610.9000113.5Y59 I60 T61 L66 D67Y59-N64 PolarHBondContact O-ND2 3.21Å; I60-N64 VanDerWaalsContact CA-OD1 3.26Å; I60-N64 WeakPolarHBondContact CA-OD1 3.39Å; T61-N64 PolarHBondContact N-OD1 3.17Å; T61-N64 PolarHBondContact O-N 3.35Å; T61-N64 PolarHBondContact O-OD1 3.04Å; T61-N64 VanDerWaalsContact O-OD1 3.09Å; N64-L66 PolarHBondContact O-N 2.82Å; N64-L66 VanDerWaalsContact O-N 3.11Å; N64-D67 VanDerWaalsContact O-CB 3.26Å; N64-D67 WeakPolarHBondContact O-CB 3.45Å; N64-D67 PolarHBondContact O-N 3.3Å
65R80.8Confident81.1Confident15 Ų1556.4 Ų56.46%0.05733%0.326CS..G310 helixtrans-54.8-28.7176.561.2178.9-74.5163.312.1113.8D25 Q26 K28 I60 T61 E62 D67 I68D25-R65 PolarHBondContact O-NH2 2.98Å; Q26-R65 VanDerWaalsContact CA-NH2 3.26Å; Q26-R65 PolarHBondContact NE2-O 3.21Å; Q26-R65 PolarHBondContact O-NH2 2.74Å; Q26-R65 PolarHBondContact OE1-O 3.42Å; K28-R65 PolarHBondContact O-NH1 2.8Å; K28-R65 PolarHBondContact O-NH2 3.36Å; I60-R65 HydrophobicContact CG2-CB 4.38Å; T61-R65 WeakPolarHBondContact O-CB 3.48Å; T61-R65 PolarHBondContact O-N 3.18Å; E62-R65 WeakPolarHBondContact O-CG 3.31Å; E62-R65 IonicContact OE1-NH1 3.6Å; E62-R65 WeakPolarHBondContact OE2-CD 3.48Å; E62-R65 IonicContact OE2-CZ 2.82Å; E62-R65 IonicContact OE2-NE 2.73Å; E62-R65 IonicContact OE2-NH1 2.62Å; E62-R65 PolarHBondContact OE2-NH1 3.16Å; R65-D67 PolarHBondContact O-N 2.84Å; R65-I68 HydrophobicContact CB-CD1 4.4Å; R65-I68 WeakPolarHBondContact O-CB 3.41Å; R65-I68 WeakPolarHBondContact O-CD1 3.43Å; R65-I68 WeakPolarHBondContact O-CG1 3.47Å; R65-I68 PolarHBondContact O-N 3.47Å
66L78.8Confident82Confident106 Ų10653.2 Ų53.256%0.55529%0.29SS*.G310 helixtrans-70.7-19.3179.4-62.5177.9000112N64 I68N64-L66 PolarHBondContact O-N 2.82Å; N64-L66 VanDerWaalsContact O-N 3.11Å; L66-I68 PolarHBondContact O-N 2.78Å
67D77Confident83Confident101 Ų10153.1 Ų53.154%0.5429%0.29SS..G310 helixtrans-74.8-12176.6-55.9-30.8000112.3N64 R65 K69N64-D67 VanDerWaalsContact O-CB 3.26Å; N64-D67 WeakPolarHBondContact O-CB 3.45Å; N64-D67 PolarHBondContact O-N 3.3Å; R65-D67 PolarHBondContact O-N 2.84Å; D67-K69 PolarHBondContact O-N 3.45Å
68I80.8Confident83.8Confident5 Ų554.2 Ų54.23%0.02629%0.293CS..PPolyproline II helixtrans-69.8120.4-178.8-57.1170.3000110.1V8 I10 L24 I60 R65 L66 C72 L74V8-I68 HydrophobicContact CG1-CG2 4.25Å; I10-I68 HydrophobicContact CG2-CG2 3.63Å; L24-I68 HydrophobicContact CD2-CD1 3.86Å; L24-I68 HydrophobicContact CD2-CG2 4.25Å; I60-I68 HydrophobicContact CD1-CD1 3.99Å; I60-I68 HydrophobicContact CD1-CG1 4.29Å; I60-I68 HydrophobicContact CG2-CD1 3.86Å; R65-I68 HydrophobicContact CB-CD1 4.4Å; R65-I68 WeakPolarHBondContact O-CB 3.41Å; R65-I68 WeakPolarHBondContact O-CD1 3.43Å; R65-I68 WeakPolarHBondContact O-CG1 3.47Å; R65-I68 PolarHBondContact O-N 3.47Å; L66-I68 PolarHBondContact O-N 2.78Å; I68-C72 HydrophobicContact CG2-CB 4.27Å; I68-L74 HydrophobicContact CD1-CD1 4.4Å
69K80.1Confident84.2Confident80 Ų8052.3 Ų52.335%0.34829%0.286SS..PPolyproline II helixtrans-102.9161.4-179.3-67.1172.3-173.51680112.6V8 D67 G71 C72 D592V8-K69 VanDerWaalsContact CG1-O 3.3Å; V8-K69 WeakPolarHBondContact CG1-O 3.38Å; D67-K69 PolarHBondContact O-N 3.45Å; K69-G71 PolarHBondContact O-N 2.92Å; K69-C72 PolarHBondContact N-SG 2.72Å; K69-C72 VanDerWaalsContact N-SG 3.41Å; K69-C72 WeakPolarHBondContact O-CB 3.38Å; K69-C72 PolarHBondContact O-N 3.28Å; K69-C72 VanDerWaalsContact O-N 3.16Å; K69-C72 PolarHBondContact O-SG 3.27Å; K69-D592 IonicContact NZ-OD1 3.67Å; K69-D592 PolarHBondContact NZ-OD1 3.46Å
70N80.3Confident84.3Confident93 Ų9353.3 Ų53.350%0.49729%0.293SS..THydrogen-bonded Turntrans-61.3129.8174.8-80.6-68000110V8 R9V8-N70 HydrophobicContact CG1-CB 4.41Å; V8-N70 VanDerWaalsContact CG1-N 3.31Å; R9-N70 PolarHBondContact N-OD1 2.8Å; R9-N70 WeakPolarHBondContact O-CA 3.29Å
71G79.2Confident84.4Confident62 Ų6254.2 Ų54.264%0.63930%0.304SS*.THydrogen-bonded Turntrans88.31.1-177.800000114.6R9 K69 I73R9-G71 PolarHBondContact O-N 3.31Å; K69-G71 PolarHBondContact O-N 2.92Å; G71-I73 PolarHBondContact O-N 3.41Å
72C82.8Confident84.5Confident31 Ų3158 Ų5821%0.20932%0.315CS..  trans-60.6136.4172.1-75.50000111I10 A11 I68 K69 L74I10-C72 HydrophobicContact CG2-CB 4.35Å; A11-C72 PolarHBondContact N-O 2.62Å; I68-C72 HydrophobicContact CG2-CB 4.27Å; K69-C72 PolarHBondContact N-SG 2.72Å; K69-C72 VanDerWaalsContact N-SG 3.41Å; K69-C72 WeakPolarHBondContact O-CB 3.38Å; K69-C72 PolarHBondContact O-N 3.28Å; K69-C72 VanDerWaalsContact O-N 3.16Å; K69-C72 PolarHBondContact O-SG 3.27Å; C72-L74 HydrophobicContact CB-CD2 4.34Å
73I84.8Confident84.8Confident72 Ų7253.6 Ų53.637%0.36929%0.294SS..EExtended strand (participates in β ladder)trans-99.4118.4171.3-56.1177.8000107A11 Q13 D54 G71A11-I73 HydrophobicContact CB-CG1 4.41Å; A11-I73 CarbonylContact O-C 3.56Å; A11-I73 WeakPolarHBondContact O-CA 3.4Å; Q13-I73 VanDerWaalsContact CD-CG2 3.46Å; Q13-I73 HydrophobicContact CG-CG2 3.74Å; Q13-I73 VanDerWaalsContact NE2-CG2 3.32Å; D54-I73 HydrophobicContact CB-CB 4.22Å; D54-I73 HydrophobicContact CB-CG2 3.91Å; D54-I73 WeakPolarHBondContact CB-O 3.23Å; D54-I73 PolarHBondContact N-O 3.31Å; G71-I73 PolarHBondContact O-N 3.41Å
74L89.4Confident85.4Confident0 Ų048.7 Ų48.70%026%0.26CS..EExtended strand (participates in β ladder)trans-108.3150.6177.2-53.2-176000109.1I10 A11 I12 Q13 L51 Q52 Y53 I60 I68 C72I10-L74 HydrophobicContact CD1-CD1 3.75Å; A11-L74 PolarHBondContact O-N 2.81Å; I12-L74 CarbonylContact C-O 3.59Å; I12-L74 WeakPolarHBondContact CA-O 3.48Å; I12-L74 HydrophobicContact CG1-CB 4.41Å; Q13-L74 PolarHBondContact N-O 2.73Å; L51-L74 HydrophobicContact CB-CD1 4.43Å; L51-L74 HydrophobicContact CD1-CD1 4.08Å; L51-L74 HydrophobicContact CD2-CB 4.49Å; Q52-L74 CarbonylContact O-C 3.6Å; Q52-L74 WeakPolarHBondContact O-CA 3.48Å; Y53-L74 HydrophobicContact CD1-CD2 3.9Å; Y53-L74 HydrophobicContact CE1-CD2 4.1Å; I60-L74 HydrophobicContact CD1-CD1 3.6Å; I60-L74 HydrophobicContact CD1-CD2 3.47Å; I60-L74 VanDerWaalsContact CD1-CD2 3.47Å; I60-L74 HydrophobicContact CD1-CG 4.09Å; I68-L74 HydrophobicContact CD1-CD1 4.4Å; C72-L74 HydrophobicContact CB-CD2 4.34Å
75R89.1Confident85.8Confident103 Ų10350.3 Ų50.339%0.38927%0.269SS..EExtended strand (participates in β ladder)trans-106.5130.2171.9-174176.8-66.7-169.71.2109.3Q13 L51 Q52 D54 T77Q13-R75 WeakPolarHBondContact O-CA 3.33Å; L51-R75 WeakPolarHBondContact CA-O 3.32Å; Q52-R75 PolarHBondContact N-O 3.07Å; Q52-R75 PolarHBondContact O-N 3.25Å; D54-R75 IonicContact OD1-CZ 3.35Å; D54-R75 IonicContact OD1-NE 2.77Å; D54-R75 PolarHBondContact OD1-NE 3.35Å; D54-R75 IonicContact OD1-NH2 3.12Å; D54-R75 PolarHBondContact OD1-NH2 3.38Å; R75-T77 PolarHBondContact O-N 2.96Å
76L89.2Confident86.3Confident8 Ų851.8 Ų51.84%0.04228%0.278CS..EExtended strand (participates in β ladder)trans-78.6114.2165.2-168.476.1000108.1I12 Q13 V37 W41 L43 Y49 L51I12-L76 HydrophobicContact CG2-CB 4.09Å; Q13-L76 PolarHBondContact O-N 3.11Å; V37-L76 HydrophobicContact CG1-CD1 4.29Å; V37-L76 HydrophobicContact CG1-CD2 4.11Å; W41-L76 HydrophobicContact CE3-CD2 3.73Å; W41-L76 HydrophobicContact CZ3-CB 3.78Å; W41-L76 HydrophobicContact CZ3-CD2 3.64Å; W41-L76 HydrophobicContact CZ3-CG 4.32Å; L43-L76 HydrophobicContact CD1-CD2 3.54Å; Y49-L76 HydrophobicContact CD1-CD2 4.1Å; Y49-L76 HydrophobicContact CD1-CG 4.16Å; Y49-L76 HydrophobicContact CG-CD2 4.29Å; Y49-L76 HydrophobicContact CG-CG 4.39Å; L51-L76 HydrophobicContact CD2-CD1 3.86Å
77T89.5Confident86.9Confident32 Ų3247 Ų4720%0.19625%0.253CS..EExtended strand (participates in β ladder)trans-123.9175-179.3174.90000109.6Y49 A50 Q52 Y59 R75Y49-T77 CarbonylContact C-O 3.47Å; Y49-T77 VanDerWaalsContact CA-O 3.22Å; Y49-T77 WeakPolarHBondContact CA-O 3.26Å; A50-T77 PolarHBondContact N-O 3.26Å; A50-T77 WeakPolarHBondContact O-CG2 3.5Å; A50-T77 PolarHBondContact O-N 2.94Å; Q52-T77 HydrophobicContact CB-CG2 3.57Å; Y59-T77 HydrophobicContact CD1-CG2 4.37Å; Y59-T77 HydrophobicContact CE1-CG2 3.78Å; R75-T77 PolarHBondContact O-N 2.96Å
78K89.1Confident87.6Confident105 Ų10543.9 Ų43.946%0.45724%0.235SC..EExtended strand (participates in β ladder)trans-61144.2172.2-63.4179.1-178.6-179.80109.5N48 Y59 C83 D86N48-K78 CarbonylContact O-C 3.54Å; N48-K78 WeakPolarHBondContact O-CA 3.39Å; Y59-K78 WeakPolarHBondContact CE1-O 3.26Å; K78-C83 HydrophobicContact CB-CB 4.36Å; K78-D86 WeakPolarHBondContact CD-OD2 3.4Å; K78-D86 IonicContact NZ-OD2 3.03Å; K78-D86 PolarHBondContact NZ-OD2 3.3Å
79A90.6Very high88Confident13 Ų1349.7 Ų49.711%0.10726%0.26CS..  trans-59.7147.2175.100000110.9N48 A50 G81 R82 C83N48-A79 PolarHBondContact O-N 3.09Å; A50-A79 HydrophobicContact CB-CB 4.38Å; A79-G81 VanDerWaalsContact C-N 3.3Å; A79-G81 PolarHBondContact O-N 2.74Å; A79-R82 HydrophobicContact CB-CB 4.36Å; A79-R82 CarbonylContact O-C 3.55Å; A79-R82 WeakPolarHBondContact O-CA 3.45Å; A79-R82 WeakPolarHBondContact O-CB 3.38Å; A79-R82 PolarHBondContact O-N 3.14Å; A79-C83 WeakPolarHBondContact O-CB 3.25Å; A79-C83 PolarHBondContact O-N 3.2Å
80P89.5Confident88.4Confident24 Ų2446.4 Ų46.416%0.15625%0.248CC..Hα-helixtrans-50.9-45.6-177.9-28.232.3000113.6Y59 R82 C83 A84 E118Y59-P80 HydrophobicContact CD1-CG 3.59Å; Y59-P80 HydrophobicContact CD2-CG 4.13Å; Y59-P80 HydrophobicContact CE1-CG 3.76Å; Y59-P80 HydrophobicContact CE2-CG 4.3Å; Y59-P80 HydrophobicContact CG-CG 3.76Å; P80-R82 PolarHBondContact O-N 3.5Å; P80-C83 PolarHBondContact O-N 3.05Å; P80-A84 VanDerWaalsContact O-CB 3.25Å; P80-A84 WeakPolarHBondContact O-CB 3.37Å; P80-A84 PolarHBondContact O-N 2.89Å; P80-E118 HydrophobicContact CB-CG 4.1Å
81G89.1Confident88.8Confident25 Ų2542.1 Ų42.126%0.25823%0.225SC..Hα-helixtrans-64.3-38.9177.300000113.4A79 A84 D85A79-G81 VanDerWaalsContact C-N 3.3Å; A79-G81 PolarHBondContact O-N 2.74Å; G81-A84 PolarHBondContact O-N 3.01Å; G81-D85 WeakPolarHBondContact O-CB 3.49Å; G81-D85 PolarHBondContact O-N 3.22Å
82R89.8Confident89.2Confident114 Ų11444.6 Ų44.643%0.4322%0.22SC..Hα-helixtrans-67.6-42.4175.2-108.4-74-166.1163.31.2112.2N48 A79 P80 D85 D86N48-R82 HydrophobicContact CB-CG 4.21Å; N48-R82 WeakPolarHBondContact OD1-CG 3.15Å; N48-R82 PolarHBondContact OD1-NE 3.1Å; A79-R82 HydrophobicContact CB-CB 4.36Å; A79-R82 CarbonylContact O-C 3.55Å; A79-R82 WeakPolarHBondContact O-CA 3.45Å; A79-R82 WeakPolarHBondContact O-CB 3.38Å; A79-R82 PolarHBondContact O-N 3.14Å; P80-R82 PolarHBondContact O-N 3.5Å; R82-D85 PolarHBondContact O-N 2.91Å; R82-D86 IonicContact NH1-OD1 3.22Å; R82-D86 WeakPolarHBondContact O-CB 3.5Å; R82-D86 VanDerWaalsContact O-CG 3.28Å; R82-D86 PolarHBondContact O-N 2.99Å
83C90.3Very high89.4Confident6 Ų644.7 Ų44.74%0.04122%0.222CC..Hα-helixtrans-63-44.8175-179.80000110.3K78 A79 P80 D85 D86 L87 F115K78-C83 HydrophobicContact CB-CB 4.36Å; A79-C83 WeakPolarHBondContact O-CB 3.25Å; A79-C83 PolarHBondContact O-N 3.2Å; P80-C83 PolarHBondContact O-N 3.05Å; C83-D85 PolarHBondContact O-N 2.88Å; C83-D86 PolarHBondContact O-N 3.13Å; C83-L87 WeakPolarHBondContact O-CB 3.5Å; C83-L87 VanDerWaalsContact O-CG 3.31Å; C83-L87 WeakPolarHBondContact O-CG 3.43Å; C83-L87 PolarHBondContact O-N 2.82Å; C83-F115 HydrophobicContact CB-CE2 4.33Å
84A91.1Very high89.2Confident0 Ų047.1 Ų47.10%025%0.245CC..Hα-helixtrans-61.2-43.4175.600000111.7P80 G81 H88 F115 E118 F119 L122P80-A84 VanDerWaalsContact O-CB 3.25Å; P80-A84 WeakPolarHBondContact O-CB 3.37Å; P80-A84 PolarHBondContact O-N 2.89Å; G81-A84 PolarHBondContact O-N 3.01Å; A84-H88 WeakPolarHBondContact O-CB 3.4Å; A84-H88 PolarHBondContact O-N 2.96Å; A84-F115 HydrophobicContact CB-CE2 3.96Å; A84-E118 HydrophobicContact CB-CB 4.26Å; A84-F119 HydrophobicContact CB-CB 4.18Å; A84-F119 HydrophobicContact CB-CD2 4.1Å; A84-L122 HydrophobicContact CB-CD1 3.76Å
85D91.4Very high89Confident61 Ų6151.2 Ų51.233%0.32627%0.267SS..Hα-helixtrans-62.1-45.9174.5-89.1-20000112.9G81 R82 C83 H88 K89 L122G81-D85 WeakPolarHBondContact O-CB 3.49Å; G81-D85 PolarHBondContact O-N 3.22Å; R82-D85 PolarHBondContact O-N 2.91Å; C83-D85 PolarHBondContact O-N 2.88Å; D85-H88 PolarHBondContact O-N 2.82Å; D85-K89 WeakPolarHBondContact O-CB 3.34Å; D85-K89 VanDerWaalsContact O-CG 3.32Å; D85-K89 WeakPolarHBondContact O-CG 3.45Å; D85-K89 PolarHBondContact O-N 3.35Å; D85-L122 VanDerWaalsContact OD1-CD1 3.31Å; D85-L122 WeakPolarHBondContact OD1-CD1 3.45Å
86D90Very high88.6Confident46 Ų4647.8 Ų47.825%0.24626%0.264CS..Hα-helixtrans-64.3-45.2180-76.5-7.1000110.4K78 R82 C83 K89 G90K78-D86 WeakPolarHBondContact CD-OD2 3.4Å; K78-D86 IonicContact NZ-OD2 3.03Å; K78-D86 PolarHBondContact NZ-OD2 3.3Å; R82-D86 IonicContact NH1-OD1 3.22Å; R82-D86 WeakPolarHBondContact O-CB 3.5Å; R82-D86 VanDerWaalsContact O-CG 3.28Å; R82-D86 PolarHBondContact O-N 2.99Å; C83-D86 PolarHBondContact O-N 3.13Å; D86-K89 PolarHBondContact O-N 2.98Å; D86-G90 PolarHBondContact O-N 3Å
87L90.9Very high88.4Confident7 Ų749.2 Ų49.24%0.03728%0.28CS..Hα-helixtrans-66.8-42.1176.1-69.5177.6000111.4C83 K89 G90 I91 E105 L106 V109 F115C83-L87 WeakPolarHBondContact O-CB 3.5Å; C83-L87 VanDerWaalsContact O-CG 3.31Å; C83-L87 WeakPolarHBondContact O-CG 3.43Å; C83-L87 PolarHBondContact O-N 2.82Å; L87-K89 VanDerWaalsContact C-N 3.3Å; L87-K89 PolarHBondContact O-N 2.73Å; L87-G90 PolarHBondContact O-N 3.3Å; L87-I91 WeakPolarHBondContact O-CB 3.45Å; L87-I91 VanDerWaalsContact O-CD1 3.32Å; L87-I91 WeakPolarHBondContact O-CD1 3.39Å; L87-I91 WeakPolarHBondContact O-CG1 3.46Å; L87-I91 PolarHBondContact O-N 3.1Å; L87-E105 HydrophobicContact CD2-CB 4.12Å; L87-E105 HydrophobicContact CD2-CG 4.25Å; L87-L106 HydrophobicContact CD1-CB 4.49Å; L87-L106 HydrophobicContact CD1-CD1 4.16Å; L87-V109 HydrophobicContact CD1-CG2 3.79Å; L87-F115 HydrophobicContact CD1-CE2 3.94Å; L87-F115 HydrophobicContact CD1-CZ 3.69Å
88H91.9Very high88.3Confident35 Ų3550.6 Ų50.616%0.16229%0.288CS..Hα-helixtrans-58.8-42.1176.2-176.4-86.5000111.3A84 D85 Q92 F119A84-H88 WeakPolarHBondContact O-CB 3.4Å; A84-H88 PolarHBondContact O-N 2.96Å; D85-H88 PolarHBondContact O-N 2.82Å; H88-Q92 PolarHBondContact CE1-NE2 3.18Å; H88-Q92 WeakPolarHBondContact O-CG 3.46Å; H88-Q92 PolarHBondContact O-N 2.94Å; H88-F119 HydrophobicContact CB-CE2 4.11Å
89K90.7Very high88.2Confident127 Ų12747.4 Ų47.455%0.55227%0.273SS*.Hα-helixtrans-69.8-41.4173.7-71.9168.7-173.7160.10112.7D85 D86 L87 I91 Q92 S93D85-K89 WeakPolarHBondContact O-CB 3.34Å; D85-K89 VanDerWaalsContact O-CG 3.32Å; D85-K89 WeakPolarHBondContact O-CG 3.45Å; D85-K89 PolarHBondContact O-N 3.35Å; D86-K89 PolarHBondContact O-N 2.98Å; L87-K89 VanDerWaalsContact C-N 3.3Å; L87-K89 PolarHBondContact O-N 2.73Å; K89-I91 VanDerWaalsContact C-N 3.32Å; K89-I91 PolarHBondContact O-N 2.98Å; K89-Q92 CarbonylContact O-C 3.57Å; K89-Q92 PolarHBondContact O-N 3.04Å; K89-S93 PolarHBondContact O-N 2.82Å; K89-S93 VanDerWaalsContact O-N 3.1Å
90G88.3Confident88Confident10 Ų1047.7 Ų47.710%0.10327%0.274CS..Hα-helixtrans-61.8-39.8178.800000112.4D86 L87 Q92 S93D86-G90 PolarHBondContact O-N 3Å; L87-G90 PolarHBondContact O-N 3.3Å; G90-Q92 VanDerWaalsContact C-N 3.33Å; G90-Q92 PolarHBondContact O-N 3.16Å; G90-S93 WeakPolarHBondContact O-CB 3.47Å; G90-S93 PolarHBondContact O-N 2.86Å; G90-S93 VanDerWaalsContact O-N 3.15Å
91I87.9Confident87.9Confident3 Ų351.7 Ų51.72%0.01529%0.294CS..Hα-helixtrans-65.9-36.2175.6-67.2163.2000111.4L87 K89 S93 R99 L103 L106 F119 L127 I131L87-I91 WeakPolarHBondContact O-CB 3.45Å; L87-I91 VanDerWaalsContact O-CD1 3.32Å; L87-I91 WeakPolarHBondContact O-CD1 3.39Å; L87-I91 WeakPolarHBondContact O-CG1 3.46Å; L87-I91 PolarHBondContact O-N 3.1Å; K89-I91 VanDerWaalsContact C-N 3.32Å; K89-I91 PolarHBondContact O-N 2.98Å; I91-S93 VanDerWaalsContact C-N 3.26Å; I91-S93 PolarHBondContact O-N 2.87Å; I91-R99 WeakPolarHBondContact O-CG 3.49Å; I91-R99 PolarHBondContact O-NE 2.83Å; I91-L103 HydrophobicContact CD1-CD2 3.98Å; I91-L103 HydrophobicContact CG1-CD2 3.9Å; I91-L103 HydrophobicContact CG1-CG 4.09Å; I91-L103 HydrophobicContact CG2-CD2 4.3Å; I91-L106 HydrophobicContact CD1-CD2 3.81Å; I91-F119 HydrophobicContact CD1-CE2 4.28Å; I91-F119 HydrophobicContact CD1-CZ 3.91Å; I91-L127 HydrophobicContact CB-CD2 4.01Å; I91-L127 HydrophobicContact CG2-CD2 3.61Å; I91-L127 HydrophobicContact CG2-CG 3.99Å; I91-I131 HydrophobicContact CG2-CD1 3.21Å
92Q87.3Confident88Confident114 Ų11451.1 Ų51.153%0.53329%0.286SS..THydrogen-bonded Turntrans-79.4-3.8175.6-68.7-179.6-16.900114H88 K89 G90 L127H88-Q92 PolarHBondContact CE1-NE2 3.18Å; H88-Q92 WeakPolarHBondContact O-CG 3.46Å; H88-Q92 PolarHBondContact O-N 2.94Å; K89-Q92 CarbonylContact O-C 3.57Å; K89-Q92 PolarHBondContact O-N 3.04Å; G90-Q92 VanDerWaalsContact C-N 3.33Å; G90-Q92 PolarHBondContact O-N 3.16Å; Q92-L127 HydrophobicContact CG-CD1 3.9Å; Q92-L127 HydrophobicContact CG-CD2 3.92Å
93S87.3Confident87.9Confident34 Ų3445.7 Ų45.724%0.23827%0.266CS..  trans-59.8146.1178.6-174.80000111.2K89 G90 I91 D95 R99K89-S93 PolarHBondContact O-N 2.82Å; K89-S93 VanDerWaalsContact O-N 3.1Å; G90-S93 WeakPolarHBondContact O-CB 3.47Å; G90-S93 PolarHBondContact O-N 2.86Å; G90-S93 VanDerWaalsContact O-N 3.15Å; I91-S93 VanDerWaalsContact C-N 3.26Å; I91-S93 PolarHBondContact O-N 2.87Å; S93-D95 PolarHBondContact O-N 2.91Å; S93-D95 PolarHBondContact OG-N 2.83Å; S93-R99 PolarHBondContact O-NE 2.86Å; S93-R99 PolarHBondContact O-NH2 2.79Å
94S81.4Confident87.9Confident122 Ų12251.4 Ų51.485%0.85329%0.29SS*.SBendtrans-73.9-15.4171.852.50000113
95D85.3Confident87.8Confident87 Ų8756.3 Ų56.347%0.46531%0.313SS..  trans-82.9116.1175.9-173.1-14.4000110.9S93 G97 V98 R99S93-D95 PolarHBondContact O-N 2.91Å; S93-D95 PolarHBondContact OG-N 2.83Å; D95-G97 VanDerWaalsContact C-N 3.27Å; D95-G97 PolarHBondContact O-N 2.86Å; D95-G97 PolarHBondContact OD1-N 2.82Å; D95-V98 HydrophobicContact CB-CB 4.16Å; D95-V98 HydrophobicContact CB-CG2 4Å; D95-V98 PolarHBondContact O-N 2.96Å; D95-R99 WeakPolarHBondContact O-CB 3.33Å; D95-R99 PolarHBondContact O-N 3.42Å
96G80.3Confident87.8Confident31 Ų3153.4 Ų53.432%0.3230%0.297SS..Hα-helixtrans-64.1-2817900000114.1C100G96-C100 WeakPolarHBondContact O-CB 3.3Å; G96-C100 PolarHBondContact O-N 2.91Å
97G85.1Confident87.6Confident37 Ų3751.8 Ų51.838%0.38129%0.29SS..Hα-helixtrans-68.7-52.217600000111.4D95 R99 C100 D101D95-G97 VanDerWaalsContact C-N 3.27Å; D95-G97 PolarHBondContact O-N 2.86Å; D95-G97 PolarHBondContact OD1-N 2.82Å; G97-R99 VanDerWaalsContact C-N 3.27Å; G97-R99 PolarHBondContact O-N 3.45Å; G97-C100 WeakPolarHBondContact O-CB 3.25Å; G97-C100 PolarHBondContact O-N 3.27Å; G97-C100 VanDerWaalsContact O-N 3.12Å; G97-D101 PolarHBondContact O-N 2.95Å
98V87.3Confident87.4Confident61 Ų6153 Ų5337%0.3730%0.299SS..Hα-helixtrans-58.4-40.7176.3176.70000111.3D95 S102D95-V98 HydrophobicContact CB-CB 4.16Å; D95-V98 HydrophobicContact CB-CG2 4Å; D95-V98 PolarHBondContact O-N 2.96Å; V98-S102 VanDerWaalsContact O-CB 3.29Å; V98-S102 WeakPolarHBondContact O-CB 3.34Å; V98-S102 PolarHBondContact O-N 2.79Å; V98-S102 PolarHBondContact O-OG 2.8Å
99R86.8Confident87.2Confident39 Ų3951.6 Ų51.615%0.14729%0.293CS..Hα-helixtrans-62-46.3175.8-172.4-176.6-53.71450.2111.8I91 S93 D95 G97 S102 L103 E137I91-R99 WeakPolarHBondContact O-CG 3.49Å; I91-R99 PolarHBondContact O-NE 2.83Å; S93-R99 PolarHBondContact O-NE 2.86Å; S93-R99 PolarHBondContact O-NH2 2.79Å; D95-R99 WeakPolarHBondContact O-CB 3.33Å; D95-R99 PolarHBondContact O-N 3.42Å; G97-R99 VanDerWaalsContact C-N 3.27Å; G97-R99 PolarHBondContact O-N 3.45Å; R99-S102 PolarHBondContact O-N 3.36Å; R99-L103 HydrophobicContact CG-CD1 3.99Å; R99-L103 WeakPolarHBondContact O-CB 3.45Å; R99-L103 VanDerWaalsContact O-CG 3.31Å; R99-L103 WeakPolarHBondContact O-CG 3.45Å; R99-L103 PolarHBondContact O-N 3.38Å; R99-E137 IonicContact CZ-OE1 3.84Å; R99-E137 IonicContact CZ-OE2 2.67Å; R99-E137 IonicContact NH1-OE1 3.64Å; R99-E137 PolarHBondContact NH1-OE1 3.46Å; R99-E137 IonicContact NH1-OE2 3.09Å; R99-E137 PolarHBondContact NH1-OE2 3.12Å
100C86.1Confident87Confident18 Ų1845.5 Ų45.512%0.12227%0.267CS..Hα-helixtrans-61.9-47.8179.3-167.80000111.7G96 G97 S102 L103 K104 I141G96-C100 WeakPolarHBondContact O-CB 3.3Å; G96-C100 PolarHBondContact O-N 2.91Å; G97-C100 WeakPolarHBondContact O-CB 3.25Å; G97-C100 PolarHBondContact O-N 3.27Å; G97-C100 VanDerWaalsContact O-N 3.12Å; C100-S102 VanDerWaalsContact C-N 3.35Å; C100-S102 PolarHBondContact O-N 2.97Å; C100-L103 PolarHBondContact O-N 3.42Å; C100-K104 WeakPolarHBondContact O-CB 3.37Å; C100-K104 PolarHBondContact O-N 3.06Å; C100-I141 HydrophobicContact CB-CD1 4.35Å; C100-I141 HydrophobicContact CB-CG1 3.83Å
101D88.3Confident86.8Confident109 Ų10949.7 Ų49.758%0.58328%0.279SS*.Hα-helixtrans-63.6-41.6178.7-71-26.1000111.5G97 L103 K104 E105G97-D101 PolarHBondContact O-N 2.95Å; D101-L103 PolarHBondContact O-N 3.31Å; D101-K104 PolarHBondContact O-N 2.84Å; D101-E105 PolarHBondContact O-N 3.14Å
102S90.1Very high86.7Confident13 Ų1349.6 Ų49.69%0.09128%0.279CS..Hα-helixtrans-62.8-41176.2-56.70000111.9V98 R99 C100 E105 L106V98-S102 VanDerWaalsContact O-CB 3.29Å; V98-S102 WeakPolarHBondContact O-CB 3.34Å; V98-S102 PolarHBondContact O-N 2.79Å; V98-S102 PolarHBondContact O-OG 2.8Å; R99-S102 PolarHBondContact O-N 3.36Å; C100-S102 VanDerWaalsContact C-N 3.35Å; C100-S102 PolarHBondContact O-N 2.97Å; S102-E105 PolarHBondContact O-N 3.05Å; S102-L106 VanDerWaalsContact O-CB 3.3Å; S102-L106 WeakPolarHBondContact O-CB 3.23Å; S102-L106 PolarHBondContact O-N 3.21Å
103L89.1Confident86.7Confident0 Ų047.2 Ų47.20%027%0.272CS..Hα-helixtrans-71.2-34.1177.3-73.1165.3000112.6I91 R99 C100 D101 L106 A107 L128 I141 H144 T145 S148I91-L103 HydrophobicContact CD1-CD2 3.98Å; I91-L103 HydrophobicContact CG1-CD2 3.9Å; I91-L103 HydrophobicContact CG1-CG 4.09Å; I91-L103 HydrophobicContact CG2-CD2 4.3Å; R99-L103 HydrophobicContact CG-CD1 3.99Å; R99-L103 WeakPolarHBondContact O-CB 3.45Å; R99-L103 VanDerWaalsContact O-CG 3.31Å; R99-L103 WeakPolarHBondContact O-CG 3.45Å; R99-L103 PolarHBondContact O-N 3.38Å; C100-L103 PolarHBondContact O-N 3.42Å; D101-L103 PolarHBondContact O-N 3.31Å; L103-L106 HydrophobicContact CD2-CD2 4.2Å; L103-L106 WeakPolarHBondContact O-CB 3.3Å; L103-L106 PolarHBondContact O-N 3.24Å; L103-A107 PolarHBondContact O-N 3.41Å; L103-L128 HydrophobicContact CD2-CD2 3.75Å; L103-I141 HydrophobicContact CD1-CB 4.46Å; L103-I141 HydrophobicContact CD1-CG2 3.6Å; L103-H144 HydrophobicContact CB-CB 3.84Å; L103-T145 WeakPolarHBondContact CD1-OG1 3.43Å; L103-S148 PolarHBondContact O-OG 2.88Å
104K89Confident86.7Confident126 Ų12647.1 Ų47.155%0.54827%0.27SS..Hα-helixtrans-65.7-44.2174.3-176.9-178.6176.9-175.90110.9C100 D101 L106 A107 S108C100-K104 WeakPolarHBondContact O-CB 3.37Å; C100-K104 PolarHBondContact O-N 3.06Å; D101-K104 PolarHBondContact O-N 2.84Å; K104-L106 VanDerWaalsContact C-N 3.35Å; K104-A107 PolarHBondContact O-N 3.06Å; K104-S108 PolarHBondContact O-N 3.08Å
105E88.9Confident87.1Confident102 Ų10241.3 Ų41.348%0.47723%0.229SC..Hα-helixtrans-62.1-45.1172.8-171.9174-179.300110.3L87 D101 S102 A107 S108 V109L87-E105 HydrophobicContact CD2-CB 4.12Å; L87-E105 HydrophobicContact CD2-CG 4.25Å; D101-E105 PolarHBondContact O-N 3.14Å; S102-E105 PolarHBondContact O-N 3.05Å; E105-A107 VanDerWaalsContact C-N 3.32Å; E105-A107 PolarHBondContact O-N 2.95Å; E105-S108 WeakPolarHBondContact O-CB 3.49Å; E105-S108 PolarHBondContact O-N 3.27Å; E105-S108 PolarHBondContact O-OG 3.2Å; E105-V109 HydrophobicContact CG-CG1 4.42Å; E105-V109 WeakPolarHBondContact O-CG2 3.23Å; E105-V109 PolarHBondContact O-N 3.43Å
106L91Very high87.3Confident0 Ų037.1 Ų37.10%021%0.207CC..Hα-helixtrans-54.3-45177.2-174.870000112.3L87 I91 S102 L103 K104 S108 V109 S110 F115 F119 L128L87-L106 HydrophobicContact CD1-CB 4.49Å; L87-L106 HydrophobicContact CD1-CD1 4.16Å; I91-L106 HydrophobicContact CD1-CD2 3.81Å; S102-L106 VanDerWaalsContact O-CB 3.3Å; S102-L106 WeakPolarHBondContact O-CB 3.23Å; S102-L106 PolarHBondContact O-N 3.21Å; L103-L106 HydrophobicContact CD2-CD2 4.2Å; L103-L106 WeakPolarHBondContact O-CB 3.3Å; L103-L106 PolarHBondContact O-N 3.24Å; K104-L106 VanDerWaalsContact C-N 3.35Å; L106-S108 PolarHBondContact O-N 2.94Å; L106-V109 HydrophobicContact CD1-CG2 4.47Å; L106-V109 PolarHBondContact O-N 3.09Å; L106-S110 WeakPolarHBondContact O-CB 3.46Å; L106-S110 PolarHBondContact O-N 3.39Å; L106-S110 PolarHBondContact O-OG 3.48Å; L106-F115 HydrophobicContact CD1-CE1 3.55Å; L106-F115 HydrophobicContact CD1-CZ 3.58Å; L106-F119 HydrophobicContact CD1-CD1 4.18Å; L106-F119 HydrophobicContact CD1-CD2 4.23Å; L106-F119 HydrophobicContact CD1-CE1 4Å; L106-F119 HydrophobicContact CD1-CE2 4.07Å; L106-F119 HydrophobicContact CD1-CG 4.29Å; L106-F119 HydrophobicContact CD1-CZ 3.96Å; L106-F119 HydrophobicContact CD2-CE1 3.97Å; L106-F119 HydrophobicContact CD2-CZ 3.92Å; L106-L128 HydrophobicContact CD2-CD1 4.13Å; L106-L128 HydrophobicContact CD2-CD2 3.81Å; L106-L128 HydrophobicContact CD2-CG 4.47Å
107A87.1Confident87.8Confident12 Ų1239.1 Ų39.110%0.09921%0.208CC..Hα-helixtrans-59.8-35.1179.200000112L103 K104 E105 T147 S148L103-A107 PolarHBondContact O-N 3.41Å; K104-A107 PolarHBondContact O-N 3.06Å; E105-A107 VanDerWaalsContact C-N 3.32Å; E105-A107 PolarHBondContact O-N 2.95Å; A107-T147 HydrophobicContact CB-CG2 4.17Å; A107-S148 VanDerWaalsContact CA-OG 3.24Å; A107-S148 WeakPolarHBondContact CA-OG 3.49Å; A107-S148 WeakPolarHBondContact CB-OG 3.19Å; A107-S148 PolarHBondContact N-OG 3.48Å
108S86.6Confident88Confident32 Ų3241.2 Ų41.222%0.22421%0.208CC..Hα-helixtrans-74.3-47.7177.271.60000112.3Q57 K104 E105 L106 R111Q57-S108 PolarHBondContact NE2-OG 3.03Å; Q57-S108 VanDerWaalsContact NE2-OG 3.16Å; Q57-S108 PolarHBondContact OE1-O 3.3Å; Q57-S108 VanDerWaalsContact OE1-O 3.06Å; Q57-S108 PolarHBondContact OE1-OG 3.27Å; Q57-S108 VanDerWaalsContact OE1-OG 3.06Å; K104-S108 PolarHBondContact O-N 3.08Å; E105-S108 WeakPolarHBondContact O-CB 3.49Å; E105-S108 PolarHBondContact O-N 3.27Å; E105-S108 PolarHBondContact O-OG 3.2Å; L106-S108 PolarHBondContact O-N 2.94Å; S108-R111 WeakPolarHBondContact O-CB 3.22Å; S108-R111 PolarHBondContact O-N 3.01Å
109V87.9Confident88.3Confident6 Ų638.3 Ų38.34%0.03619%0.191CC..Hα-helixtrans-77.5-23.3-175.5-62.50000113.4L87 E105 L106 R111 D112 F115L87-V109 HydrophobicContact CD1-CG2 3.79Å; E105-V109 HydrophobicContact CG-CG1 4.42Å; E105-V109 WeakPolarHBondContact O-CG2 3.23Å; E105-V109 PolarHBondContact O-N 3.43Å; L106-V109 HydrophobicContact CD1-CG2 4.47Å; L106-V109 PolarHBondContact O-N 3.09Å; V109-R111 PolarHBondContact O-N 2.89Å; V109-R111 VanDerWaalsContact O-N 3.11Å; V109-D112 PolarHBondContact O-N 3Å; V109-D112 VanDerWaalsContact O-N 3.08Å; V109-F115 HydrophobicContact CB-CD1 4.04Å; V109-F115 HydrophobicContact CB-CD2 4.44Å; V109-F115 HydrophobicContact CB-CE1 4.23Å; V109-F115 HydrophobicContact CB-CG 4.17Å; V109-F115 HydrophobicContact CB-CZ 4.5Å; V109-F115 HydrophobicContact CG2-CD1 3.74Å; V109-F115 HydrophobicContact CG2-CD2 4.2Å; V109-F115 HydrophobicContact CG2-CE1 3.42Å; V109-F115 VanDerWaalsContact CG2-CE1 3.42Å; V109-F115 HydrophobicContact CG2-CE2 3.88Å; V109-F115 HydrophobicContact CG2-CG 4.13Å; V109-F115 HydrophobicContact CG2-CZ 3.49Å; V109-F115 VanDerWaalsContact CG2-CZ 3.49Å; V109-F115 WeakPolarHBondContact O-CD1 3.5Å
110S86.8Confident88.4Confident0 Ų037.2 Ų37.20%019%0.187CC..THydrogen-bonded Turntrans-64.9-13.8177-63.30000113.1L106 D112 H155L106-S110 WeakPolarHBondContact O-CB 3.46Å; L106-S110 PolarHBondContact O-N 3.39Å; L106-S110 PolarHBondContact O-OG 3.48Å; S110-D112 PolarHBondContact O-N 3.2Å; S110-H155 PolarHBondContact O-CE1 3.42Å; S110-H155 PolarHBondContact O-NE2 2.98Å
111R83.7Confident88.7Confident97 Ų9740.9 Ų40.937%0.36621%0.206SC..THydrogen-bonded Turntrans-63.4-25.8171.7-76.8176171.1-171.40.1113.2S108 V109 E151 R557S108-R111 WeakPolarHBondContact O-CB 3.22Å; S108-R111 PolarHBondContact O-N 3.01Å; V109-R111 PolarHBondContact O-N 2.89Å; V109-R111 VanDerWaalsContact O-N 3.11Å; R111-E151 WeakPolarHBondContact CG-OE2 3.39Å; R111-E151 IonicContact NE-OE1 3.24Å; R111-E151 PolarHBondContact NE-OE1 3.14Å; R111-R557 PolarHBondContact O-NH1 3.07Å; R111-R557 PolarHBondContact O-NH2 3.11Å
112D86.1Confident88.7Confident1 Ų138.5 Ų38.51%0.00519%0.193CC..SBendtrans-88.3136.4178.2175.750.3000111.8M58 Y59 V109 S110 T114 F115 A116M58-D112 WeakPolarHBondContact CE-OD1 3.39Å; M58-D112 HydrophobicContact SD-CB 3.84Å; M58-D112 VanDerWaalsContact SD-OD1 3.38Å; Y59-D112 WeakPolarHBondContact CD2-OD2 3.43Å; V109-D112 PolarHBondContact O-N 3Å; V109-D112 VanDerWaalsContact O-N 3.08Å; S110-D112 PolarHBondContact O-N 3.2Å; D112-T114 PolarHBondContact OD2-N 3.26Å; D112-T114 VanDerWaalsContact OD2-N 3.12Å; D112-T114 PolarHBondContact OD2-OG1 3.46Å; D112-F115 HydrophobicContact CB-CB 4.41Å; D112-F115 PolarHBondContact OD2-N 3.47Å; D112-A116 VanDerWaalsContact O-CB 3.25Å; D112-A116 WeakPolarHBondContact O-CB 3.38Å; D112-A116 PolarHBondContact O-N 2.85Å; D112-A116 VanDerWaalsContact O-N 3.08Å
113V85.6Confident88.6Confident65 Ų6542.4 Ų42.439%0.39421%0.213SC..Hα-helixtrans-70.8-34.6-176.969.10000112A116 Q117 I157V113-A116 PolarHBondContact O-N 2.91Å; V113-Q117 WeakPolarHBondContact O-CB 3.37Å; V113-Q117 PolarHBondContact O-N 3.47Å; V113-I157 HydrophobicContact CG2-CD1 4.41Å
114T87.6Confident88.6Confident31 Ų3142.4 Ų42.419%0.1921%0.213CC..Hα-helixtrans-74.8-41.4-174.262.40000111.2Y59 T61 D112 E118Y59-T114 WeakPolarHBondContact CB-OG1 3.02Å; T61-T114 HydrophobicContact CG2-CG2 3.49Å; T61-T114 VanDerWaalsContact CG2-CG2 3.49Å; D112-T114 PolarHBondContact OD2-N 3.26Å; D112-T114 VanDerWaalsContact OD2-N 3.12Å; D112-T114 PolarHBondContact OD2-OG1 3.46Å; T114-E118 PolarHBondContact O-N 3.31Å
115F91.3Very high88.5Confident0 Ų037.5 Ų37.50%019%0.191CC..Hα-helixtrans-61-48168.5172.9-92000111.9Y59 C83 A84 L87 L106 V109 D112 Q117 E118 F119Y59-F115 HydrophobicContact CD2-CB 4.22Å; Y59-F115 HydrophobicContact CE2-CB 3.94Å; C83-F115 HydrophobicContact CB-CE2 4.33Å; A84-F115 HydrophobicContact CB-CE2 3.96Å; L87-F115 HydrophobicContact CD1-CE2 3.94Å; L87-F115 HydrophobicContact CD1-CZ 3.69Å; L106-F115 HydrophobicContact CD1-CE1 3.55Å; L106-F115 HydrophobicContact CD1-CZ 3.58Å; V109-F115 HydrophobicContact CB-CD1 4.04Å; V109-F115 HydrophobicContact CB-CD2 4.44Å; V109-F115 HydrophobicContact CB-CE1 4.23Å; V109-F115 HydrophobicContact CB-CG 4.17Å; V109-F115 HydrophobicContact CB-CZ 4.5Å; V109-F115 HydrophobicContact CG2-CD1 3.74Å; V109-F115 HydrophobicContact CG2-CD2 4.2Å; V109-F115 HydrophobicContact CG2-CE1 3.42Å; V109-F115 VanDerWaalsContact CG2-CE1 3.42Å; V109-F115 HydrophobicContact CG2-CE2 3.88Å; V109-F115 HydrophobicContact CG2-CG 4.13Å; V109-F115 HydrophobicContact CG2-CZ 3.49Å; V109-F115 VanDerWaalsContact CG2-CZ 3.49Å; V109-F115 WeakPolarHBondContact O-CD1 3.5Å; D112-F115 HydrophobicContact CB-CB 4.41Å; D112-F115 PolarHBondContact OD2-N 3.47Å; F115-Q117 VanDerWaalsContact C-N 3.27Å; F115-Q117 PolarHBondContact O-N 2.9Å; F115-E118 PolarHBondContact O-N 3.21Å; F115-F119 HydrophobicContact CE1-CB 4.04Å; F115-F119 HydrophobicContact CE1-CG 4.35Å; F115-F119 HydrophobicContact CZ-CB 4.06Å; F115-F119 HydrophobicContact CZ-CD2 4.15Å; F115-F119 HydrophobicContact CZ-CG 4.22Å; F115-F119 PolarHBondContact O-N 3.38Å
116A89.7Confident88.4Confident0 Ų035.5 Ų35.50%018%0.184CC..Hα-helixtrans-58.4-40-178.400000112.5D112 V113 F119 I120 L152 H155 I157D112-A116 VanDerWaalsContact O-CB 3.25Å; D112-A116 WeakPolarHBondContact O-CB 3.38Å; D112-A116 PolarHBondContact O-N 2.85Å; D112-A116 VanDerWaalsContact O-N 3.08Å; V113-A116 PolarHBondContact O-N 2.91Å; A116-F119 PolarHBondContact O-N 3.2Å; A116-I120 VanDerWaalsContact O-CB 3.31Å; A116-I120 WeakPolarHBondContact O-CB 3.45Å; A116-I120 VanDerWaalsContact O-CD1 3.32Å; A116-I120 WeakPolarHBondContact O-CD1 3.26Å; A116-I120 WeakPolarHBondContact O-CG1 3.32Å; A116-I120 PolarHBondContact O-N 3.34Å; A116-L152 HydrophobicContact CB-CD2 3.56Å; A116-H155 WeakPolarHBondContact CB-CD2 3.49Å; A116-H155 WeakPolarHBondContact CB-NE2 2.87Å; A116-I157 HydrophobicContact CB-CD1 4.48Å
117Q88.9Confident88.3Confident73 Ų7336.5 Ų36.534%0.34119%0.19SC..Hα-helixtrans-61.4-47.2176.6-171.567.342.700112V113 F115 I120 N121 I157V113-Q117 WeakPolarHBondContact O-CB 3.37Å; V113-Q117 PolarHBondContact O-N 3.47Å; F115-Q117 VanDerWaalsContact C-N 3.27Å; F115-Q117 PolarHBondContact O-N 2.9Å; Q117-I120 PolarHBondContact O-N 3.4Å; Q117-N121 PolarHBondContact NE2-OD1 3.24Å; Q117-N121 WeakPolarHBondContact O-CB 3.47Å; Q117-N121 PolarHBondContact O-N 3.36Å; Q117-N121 PolarHBondContact O-ND2 2.88Å; Q117-N121 PolarHBondContact O-OD1 3.47Å; Q117-I157 HydrophobicContact CB-CD1 4.49Å
118E90.4Very high88.4Confident81 Ų8136 Ų3638%0.37919%0.185SC..Hα-helixtrans-63.7-42.9177.8-68.6-59.1150.700111.8P80 A84 T114 F115 I120 N121 L122P80-E118 HydrophobicContact CB-CG 4.1Å; A84-E118 HydrophobicContact CB-CB 4.26Å; T114-E118 PolarHBondContact O-N 3.31Å; F115-E118 PolarHBondContact O-N 3.21Å; E118-I120 VanDerWaalsContact C-N 3.34Å; E118-I120 PolarHBondContact O-N 3.02Å; E118-N121 WeakPolarHBondContact O-CB 3.28Å; E118-N121 PolarHBondContact O-N 3.22Å; E118-L122 WeakPolarHBondContact O-CG 3.38Å; E118-L122 PolarHBondContact O-N 3.46Å
119F92.4Very high88.4Confident0 Ų035 Ų350%018%0.177CC..Hα-helixtrans-66.7-35.5177.8-168.4-104.6000112.6A84 H88 I91 L106 F115 A116 L122 G124 L152A84-F119 HydrophobicContact CB-CB 4.18Å; A84-F119 HydrophobicContact CB-CD2 4.1Å; H88-F119 HydrophobicContact CB-CE2 4.11Å; I91-F119 HydrophobicContact CD1-CE2 4.28Å; I91-F119 HydrophobicContact CD1-CZ 3.91Å; L106-F119 HydrophobicContact CD1-CD1 4.18Å; L106-F119 HydrophobicContact CD1-CD2 4.23Å; L106-F119 HydrophobicContact CD1-CE1 4Å; L106-F119 HydrophobicContact CD1-CE2 4.07Å; L106-F119 HydrophobicContact CD1-CG 4.29Å; L106-F119 HydrophobicContact CD1-CZ 3.96Å; L106-F119 HydrophobicContact CD2-CE1 3.97Å; L106-F119 HydrophobicContact CD2-CZ 3.92Å; F115-F119 HydrophobicContact CE1-CB 4.04Å; F115-F119 HydrophobicContact CE1-CG 4.35Å; F115-F119 HydrophobicContact CZ-CB 4.06Å; F115-F119 HydrophobicContact CZ-CD2 4.15Å; F115-F119 HydrophobicContact CZ-CG 4.22Å; F115-F119 PolarHBondContact O-N 3.38Å; A116-F119 PolarHBondContact O-N 3.2Å; F119-L122 PolarHBondContact O-N 3.31Å; F119-G124 VanDerWaalsContact CE1-C 3.46Å; F119-G124 VanDerWaalsContact CE1-CA 3.42Å; F119-G124 WeakPolarHBondContact O-CA 3.38Å; F119-G124 PolarHBondContact O-N 2.97Å; F119-L152 HydrophobicContact CD1-CD1 3.78Å; F119-L152 HydrophobicContact CD1-CD2 4.4Å; F119-L152 HydrophobicContact CE1-CD1 3.97Å
120I90.3Very high88.4Confident15 Ų1540.6 Ų40.68%0.07720%0.201CC..Hα-helixtrans-67.9-39.9173.7-71.4163.1000110.9A116 Q117 E118 L122 D123 I157 V158A116-I120 VanDerWaalsContact O-CB 3.31Å; A116-I120 WeakPolarHBondContact O-CB 3.45Å; A116-I120 VanDerWaalsContact O-CD1 3.32Å; A116-I120 WeakPolarHBondContact O-CD1 3.26Å; A116-I120 WeakPolarHBondContact O-CG1 3.32Å; A116-I120 PolarHBondContact O-N 3.34Å; Q117-I120 PolarHBondContact O-N 3.4Å; E118-I120 VanDerWaalsContact C-N 3.34Å; E118-I120 PolarHBondContact O-N 3.02Å; I120-L122 PolarHBondContact O-N 2.93Å; I120-D123 WeakPolarHBondContact O-CA 3.45Å; I120-D123 PolarHBondContact O-N 3.49Å; I120-I157 HydrophobicContact CD1-CB 3.79Å; I120-I157 HydrophobicContact CD1-CD1 3.78Å; I120-I157 HydrophobicContact CD1-CG1 4.39Å; I120-I157 HydrophobicContact CD1-CG2 3.83Å; I120-I157 HydrophobicContact CG2-CG2 4.11Å; I120-V158 HydrophobicContact CD1-CG2 4.06Å; I120-V158 HydrophobicContact CG1-CG2 4.23Å; I120-V158 HydrophobicContact CG2-CG2 3.7Å
121N91Very high88.3Confident95 Ų9541.4 Ų41.451%0.50821%0.205SC..Hα-helixtrans-61.3-27.2175.7-67.3-19.3000112.4Q117 E118 D123Q117-N121 PolarHBondContact NE2-OD1 3.24Å; Q117-N121 WeakPolarHBondContact O-CB 3.47Å; Q117-N121 PolarHBondContact O-N 3.36Å; Q117-N121 PolarHBondContact O-ND2 2.88Å; Q117-N121 PolarHBondContact O-OD1 3.47Å; E118-N121 WeakPolarHBondContact O-CB 3.28Å; E118-N121 PolarHBondContact O-N 3.22Å; N121-D123 PolarHBondContact O-N 3.21Å
122L90.3Very high88.4Confident60 Ų6036.8 Ų36.831%0.31419%0.188SC..THydrogen-bonded Turntrans-83.811.6173.1-65.8175.3000113.8A84 D85 E118 F119 I120 G124A84-L122 HydrophobicContact CB-CD1 3.76Å; D85-L122 VanDerWaalsContact OD1-CD1 3.31Å; D85-L122 WeakPolarHBondContact OD1-CD1 3.45Å; E118-L122 WeakPolarHBondContact O-CG 3.38Å; E118-L122 PolarHBondContact O-N 3.46Å; F119-L122 PolarHBondContact O-N 3.31Å; I120-L122 PolarHBondContact O-N 2.93Å; L122-G124 PolarHBondContact O-N 2.77Å
123D88Confident88.4Confident95 Ų9539.5 Ų39.551%0.50820%0.201SC..THydrogen-bonded Turntrans57.725.2-172.9-77-48.5000113.9I120 N121 H125 N126 L127I120-D123 WeakPolarHBondContact O-CA 3.45Å; I120-D123 PolarHBondContact O-N 3.49Å; N121-D123 PolarHBondContact O-N 3.21Å; D123-H125 VanDerWaalsContact C-N 3.26Å; D123-H125 PolarHBondContact O-N 2.77Å; D123-H125 IonicContact OD1-CE1 2.8Å; D123-N126 WeakPolarHBondContact O-CB 3.39Å; D123-N126 PolarHBondContact O-N 2.84Å; D123-N126 PolarHBondContact OD1-ND2 2.98Å; D123-L127 PolarHBondContact O-N 3.09Å
124G87.4Confident88.2Confident0 Ų041.3 Ų41.30%021%0.208CC..Hα-helixtrans-62.5-30.8-178.200000113.6F119 L122 N126 L127 L128F119-G124 VanDerWaalsContact CE1-C 3.46Å; F119-G124 VanDerWaalsContact CE1-CA 3.42Å; F119-G124 WeakPolarHBondContact O-CA 3.38Å; F119-G124 PolarHBondContact O-N 2.97Å; L122-G124 PolarHBondContact O-N 2.77Å; G124-N126 VanDerWaalsContact C-N 3.34Å; G124-N126 PolarHBondContact O-N 3.41Å; G124-L127 WeakPolarHBondContact O-CB 3.38Å; G124-L127 PolarHBondContact O-N 3.3Å; G124-L128 PolarHBondContact O-N 3.06Å; G124-L128 VanDerWaalsContact O-N 3.08Å
125H87.3Confident86.8Confident22 Ų2244.2 Ų44.210%0.10223%0.23CC..Hα-helixtrans-62.2-39.1173.365.4-76.5000112.2D123 L127 L128 V129D123-H125 VanDerWaalsContact C-N 3.26Å; D123-H125 PolarHBondContact O-N 2.77Å; D123-H125 IonicContact OD1-CE1 2.8Å; H125-L127 VanDerWaalsContact C-N 3.32Å; H125-L128 PolarHBondContact O-N 2.97Å; H125-V129 WeakPolarHBondContact O-CG2 3.26Å; H125-V129 PolarHBondContact O-N 3.32Å
126N87.6Confident85.5Confident61 Ų6155 Ų5533%0.32627%0.27SS..Hα-helixtrans-69.6-30.6175.1-72.8-42.8000112D123 G124 V129 K130D123-N126 WeakPolarHBondContact O-CB 3.39Å; D123-N126 PolarHBondContact O-N 2.84Å; D123-N126 PolarHBondContact OD1-ND2 2.98Å; G124-N126 VanDerWaalsContact C-N 3.34Å; G124-N126 PolarHBondContact O-N 3.41Å; N126-V129 PolarHBondContact O-N 3.01Å; N126-K130 VanDerWaalsContact O-CG 3.32Å; N126-K130 WeakPolarHBondContact O-CG 3.39Å; N126-K130 PolarHBondContact O-N 3.42Å
127L88.4Confident84.5Confident21 Ų2157.6 Ų57.611%0.1128%0.282CS..Hα-helixtrans-64.1-44.8172.3179.463.6000111.2I91 Q92 D123 G124 H125 V129 K130 I131I91-L127 HydrophobicContact CB-CD2 4.01Å; I91-L127 HydrophobicContact CG2-CD2 3.61Å; I91-L127 HydrophobicContact CG2-CG 3.99Å; Q92-L127 HydrophobicContact CG-CD1 3.9Å; Q92-L127 HydrophobicContact CG-CD2 3.92Å; D123-L127 PolarHBondContact O-N 3.09Å; G124-L127 WeakPolarHBondContact O-CB 3.38Å; G124-L127 PolarHBondContact O-N 3.3Å; H125-L127 VanDerWaalsContact C-N 3.32Å; L127-V129 VanDerWaalsContact C-N 3.34Å; L127-V129 PolarHBondContact O-N 3.44Å; L127-K130 PolarHBondContact O-N 3.49Å; L127-I131 HydrophobicContact CD1-CD1 4.44Å; L127-I131 HydrophobicContact CG-CD1 4.15Å; L127-I131 VanDerWaalsContact O-CG1 3.32Å; L127-I131 WeakPolarHBondContact O-CG1 3.47Å; L127-I131 PolarHBondContact O-N 3.03Å
128L88.8Confident83.9Confident0 Ų057 Ų570%029%0.286CS..Hα-helixtrans-62.5-41.6175.4-59.6-179000111.6L103 L106 G124 H125 K130 I131 V132 T145 F149 L152L103-L128 HydrophobicContact CD2-CD2 3.75Å; L106-L128 HydrophobicContact CD2-CD1 4.13Å; L106-L128 HydrophobicContact CD2-CD2 3.81Å; L106-L128 HydrophobicContact CD2-CG 4.47Å; G124-L128 PolarHBondContact O-N 3.06Å; G124-L128 VanDerWaalsContact O-N 3.08Å; H125-L128 PolarHBondContact O-N 2.97Å; L128-K130 VanDerWaalsContact C-N 3.34Å; L128-K130 PolarHBondContact O-N 3.38Å; L128-I131 PolarHBondContact O-N 2.86Å; L128-V132 WeakPolarHBondContact O-CG2 3.49Å; L128-V132 PolarHBondContact O-N 2.96Å; L128-T145 HydrophobicContact CB-CG2 4.1Å; L128-T145 HydrophobicContact CD2-CG2 3.96Å; L128-F149 HydrophobicContact CB-CD2 4.44Å; L128-F149 HydrophobicContact CD1-CB 4.05Å; L128-L152 HydrophobicContact CD1-CD1 3.67Å
129V88Confident83.3Confident11 Ų1157.3 Ų57.37%0.06729%0.291CS..Hα-helixtrans-57-47.3174.5169.30000110.9H125 N126 L127 I131 V132 E133 F149 L163 F167H125-V129 WeakPolarHBondContact O-CG2 3.26Å; H125-V129 PolarHBondContact O-N 3.32Å; N126-V129 PolarHBondContact O-N 3.01Å; L127-V129 VanDerWaalsContact C-N 3.34Å; L127-V129 PolarHBondContact O-N 3.44Å; V129-I131 PolarHBondContact O-N 2.73Å; V129-V132 PolarHBondContact O-N 2.84Å; V129-E133 HydrophobicContact CG1-CG 4.39Å; V129-E133 VanDerWaalsContact O-CG 3.3Å; V129-E133 WeakPolarHBondContact O-CG 3.32Å; V129-E133 PolarHBondContact O-N 3.03Å; V129-F149 HydrophobicContact CG2-CE2 3.99Å; V129-L163 HydrophobicContact CG2-CD2 3.97Å; V129-F167 HydrophobicContact CB-CD2 4.12Å; V129-F167 HydrophobicContact CB-CE2 4.47Å; V129-F167 HydrophobicContact CG1-CB 4.13Å; V129-F167 HydrophobicContact CG1-CD2 3.86Å; V129-F167 HydrophobicContact CG1-CG 4.25Å; V129-F167 HydrophobicContact CG2-CD2 4.02Å; V129-F167 HydrophobicContact CG2-CE2 4.09Å
130K86.8Confident82.7Confident125 Ų12562.8 Ų62.854%0.54332%0.316SS..Hα-helixtrans-60.8-41.8177.1-72.2170.2-175.3174.30112.6N126 L127 L128 V132 E133 D134N126-K130 VanDerWaalsContact O-CG 3.32Å; N126-K130 WeakPolarHBondContact O-CG 3.39Å; N126-K130 PolarHBondContact O-N 3.42Å; L127-K130 PolarHBondContact O-N 3.49Å; L128-K130 VanDerWaalsContact C-N 3.34Å; L128-K130 PolarHBondContact O-N 3.38Å; K130-V132 VanDerWaalsContact C-N 3.31Å; K130-V132 PolarHBondContact O-N 3.42Å; K130-E133 PolarHBondContact O-N 2.8Å; K130-D134 WeakPolarHBondContact O-CB 3.39Å; K130-D134 PolarHBondContact O-N 3.45Å
131I85.7Confident82.4Confident16 Ų1662.5 Ų62.58%0.08232%0.315CS..Hα-helixtrans-63.4-39.3177.6-68.4164.7000111.2I91 L127 L128 V129 D134 E137 T145I91-I131 HydrophobicContact CG2-CD1 3.21Å; L127-I131 HydrophobicContact CD1-CD1 4.44Å; L127-I131 HydrophobicContact CG-CD1 4.15Å; L127-I131 VanDerWaalsContact O-CG1 3.32Å; L127-I131 WeakPolarHBondContact O-CG1 3.47Å; L127-I131 PolarHBondContact O-N 3.03Å; L128-I131 PolarHBondContact O-N 2.86Å; V129-I131 PolarHBondContact O-N 2.73Å; I131-D134 PolarHBondContact O-N 3.25Å; I131-E137 HydrophobicContact CG2-CG 4.29Å; I131-T145 HydrophobicContact CB-CG2 4.24Å; I131-T145 HydrophobicContact CG2-CG2 3.97Å
132V85.3Confident82.1Confident0 Ų058.5 Ų58.50%029%0.293CS..Hα-helixtrans-66.4-45.6175.1173.50000110.2L128 V129 K130 D134 M142 T145 L146 F167 K170 V171 I174L128-V132 WeakPolarHBondContact O-CG2 3.49Å; L128-V132 PolarHBondContact O-N 2.96Å; V129-V132 PolarHBondContact O-N 2.84Å; K130-V132 VanDerWaalsContact C-N 3.31Å; K130-V132 PolarHBondContact O-N 3.42Å; V132-D134 VanDerWaalsContact C-N 3.25Å; V132-D134 PolarHBondContact O-N 2.67Å; V132-M142 HydrophobicContact CB-SD 4.36Å; V132-M142 HydrophobicContact CG1-SD 4.39Å; V132-M142 HydrophobicContact CG2-SD 3.91Å; V132-T145 HydrophobicContact CG2-CG2 3.79Å; V132-L146 HydrophobicContact CG1-CD2 4.45Å; V132-L146 HydrophobicContact CG2-CD2 3.85Å; V132-F167 HydrophobicContact CB-CD2 3.79Å; V132-F167 HydrophobicContact CB-CE2 3.61Å; V132-F167 HydrophobicContact CG1-CD2 3.71Å; V132-F167 HydrophobicContact CG1-CE2 3.64Å; V132-F167 HydrophobicContact CG2-CD2 4.43Å; V132-F167 HydrophobicContact CG2-CE2 3.75Å; V132-K170 HydrophobicContact CG1-CB 4.26Å; V132-K170 HydrophobicContact CG1-CG 4.04Å; V132-K170 VanDerWaalsContact O-CG 3.25Å; V132-K170 WeakPolarHBondContact O-CG 3.49Å; V132-V171 HydrophobicContact CG1-CG2 4.4Å; V132-I174 HydrophobicContact CG1-CD1 4.49Å
133E85Confident81.9Confident59 Ų5956.5 Ų56.528%0.27628%0.283SS..Hα-helixtrans-59.9-34.9177.7-70.5177.1172.600112.5V129 K130 S135 S164 V166 F167V129-E133 HydrophobicContact CG1-CG 4.39Å; V129-E133 VanDerWaalsContact O-CG 3.3Å; V129-E133 WeakPolarHBondContact O-CG 3.32Å; V129-E133 PolarHBondContact O-N 3.03Å; K130-E133 PolarHBondContact O-N 2.8Å; E133-S135 PolarHBondContact O-N 2.97Å; E133-S164 WeakPolarHBondContact OE1-CB 3.34Å; E133-S164 PolarHBondContact OE1-OG 2.87Å; E133-V166 HydrophobicContact CB-CG1 4.31Å; E133-V166 HydrophobicContact CG-CB 4.21Å; E133-V166 HydrophobicContact CG-CG1 3.9Å; E133-F167 HydrophobicContact CG-CB 4.36Å
134D81.3Confident81.9Confident103 Ų10353.5 Ų53.555%0.55127%0.266SS*.SBendtrans-75.5120.2178.3-76.9-23.2000112.5K130 I131 V132 R136K130-D134 WeakPolarHBondContact O-CB 3.39Å; K130-D134 PolarHBondContact O-N 3.45Å; I131-D134 PolarHBondContact O-N 3.25Å; V132-D134 VanDerWaalsContact C-N 3.25Å; V132-D134 PolarHBondContact O-N 2.67Å; D134-R136 VanDerWaalsContact C-N 3.33Å; D134-R136 PolarHBondContact O-N 2.73Å
135S59.3Low81.9Confident91 Ų9153.5 Ų53.564%0.63627%0.266SS*.THydrogen-bonded Turntrans-84.514.5-164.9590000116.7E133E133-S135 PolarHBondContact O-N 2.97Å
136R64.8Low81.9Confident226 Ų22652.5 Ų52.585%0.85326%0.262SS*.THydrogen-bonded Turntrans-112.1-1.6-166.1-62.7-174.7-176.6-171.22115.5D134D134-R136 VanDerWaalsContact C-N 3.33Å; D134-R136 PolarHBondContact O-N 2.73Å
137E67.7Low81.9Confident55 Ų5551.2 Ų51.226%0.25726%0.256SS..  trans-87154.1-170.7-61.5-59.614000113R99 I131 I141 M142R99-E137 IonicContact CZ-OE1 3.84Å; R99-E137 IonicContact CZ-OE2 2.67Å; R99-E137 IonicContact NH1-OE1 3.64Å; R99-E137 PolarHBondContact NH1-OE1 3.46Å; R99-E137 IonicContact NH1-OE2 3.09Å; R99-E137 PolarHBondContact NH1-OE2 3.12Å; I131-E137 HydrophobicContact CG2-CG 4.29Å; E137-I141 HydrophobicContact CB-CB 4.46Å; E137-I141 HydrophobicContact CB-CG2 3.95Å; E137-I141 HydrophobicContact CG-CG2 4.32Å; E137-M142 HydrophobicContact CB-CE 4.46Å
138S75.6Confident81.9Confident61 Ų6150.2 Ų50.243%0.42725%0.251SS..  trans-69.7156.1179.472.20000112.3Q140 I141 M142S138-Q140 PolarHBondContact O-N 3.13Å; S138-I141 PolarHBondContact O-N 2.94Å; S138-I141 WeakPolarHBondContact OG-CD1 3.36Å; S138-I141 VanDerWaalsContact OG-CG1 3.26Å; S138-I141 WeakPolarHBondContact OG-CG1 3.39Å; S138-I141 PolarHBondContact OG-N 2.81Å; S138-M142 PolarHBondContact O-N 2.96Å
139N78Confident81.9Confident87 Ų8750.2 Ų50.247%0.46525%0.251SS..Hα-helixtrans-55.9-37.8179.5-70.5-4000112.9M142 T143 M187N139-M142 PolarHBondContact O-N 2.79Å; N139-T143 PolarHBondContact O-N 3.31Å; N139-T143 PolarHBondContact O-OG1 3.49Å; N139-M187 VanDerWaalsContact CA-SD 3.53Å; N139-M187 HydrophobicContact CB-SD 3.48Å; N139-M187 WeakPolarHBondContact CB-SD 3.44Å
140Q80.6Confident81.8Confident116 Ų11650.1 Ų50.154%0.54225%0.25SS..Hα-helixtrans-70.5-42.6-179.8-168.2168.41100112S138 M142 T143 H144S138-Q140 PolarHBondContact O-N 3.13Å; Q140-M142 VanDerWaalsContact C-N 3.31Å; Q140-M142 PolarHBondContact O-N 2.64Å; Q140-T143 PolarHBondContact O-N 3.01Å; Q140-H144 PolarHBondContact O-CD2 3.12Å; Q140-H144 PolarHBondContact O-N 3.2Å; Q140-H144 VanDerWaalsContact O-N 3.07Å
141I83.9Confident81.8Confident8 Ų844.3 Ų44.34%0.04123%0.225CC..Hα-helixtrans-59.5-44.7173.3-71.8172.8000109.9C100 L103 E137 S138 H144 T145C100-I141 HydrophobicContact CB-CD1 4.35Å; C100-I141 HydrophobicContact CB-CG1 3.83Å; L103-I141 HydrophobicContact CD1-CB 4.46Å; L103-I141 HydrophobicContact CD1-CG2 3.6Å; E137-I141 HydrophobicContact CB-CB 4.46Å; E137-I141 HydrophobicContact CB-CG2 3.95Å; E137-I141 HydrophobicContact CG-CG2 4.32Å; S138-I141 PolarHBondContact O-N 2.94Å; S138-I141 WeakPolarHBondContact OG-CD1 3.36Å; S138-I141 VanDerWaalsContact OG-CG1 3.26Å; S138-I141 WeakPolarHBondContact OG-CG1 3.39Å; S138-I141 PolarHBondContact OG-N 2.81Å; I141-H144 PolarHBondContact O-N 2.55Å; I141-T145 WeakPolarHBondContact O-CB 3.45Å; I141-T145 PolarHBondContact O-N 3Å; I141-T145 PolarHBondContact O-OG1 2.81Å
142M84.8Confident81.9Confident11 Ų1143.6 Ų43.65%0.05422%0.222CC..Hα-helixtrans-63.6-42.8178.8-168.560.963.200112.2V132 E137 S138 N139 Q140 T145 L146 I174 M187V132-M142 HydrophobicContact CB-SD 4.36Å; V132-M142 HydrophobicContact CG1-SD 4.39Å; V132-M142 HydrophobicContact CG2-SD 3.91Å; E137-M142 HydrophobicContact CB-CE 4.46Å; S138-M142 PolarHBondContact O-N 2.96Å; N139-M142 PolarHBondContact O-N 2.79Å; Q140-M142 VanDerWaalsContact C-N 3.31Å; Q140-M142 PolarHBondContact O-N 2.64Å; M142-T145 WeakPolarHBondContact O-CB 3.1Å; M142-T145 PolarHBondContact O-N 2.83Å; M142-L146 HydrophobicContact CG-CD1 4.13Å; M142-L146 HydrophobicContact CG-CG 4.41Å; M142-L146 WeakPolarHBondContact O-CB 3.49Å; M142-L146 WeakPolarHBondContact O-CG 3.31Å; M142-L146 PolarHBondContact O-N 3.25Å; M142-L146 HydrophobicContact SD-CG 4.38Å; M142-I174 HydrophobicContact CG-CD1 3.87Å; M142-I174 HydrophobicContact SD-CD1 3.81Å; M142-M187 HydrophobicContact CB-CE 3.65Å; M142-M187 HydrophobicContact CB-SD 4.42Å; M142-M187 HydrophobicContact CG-CE 3.45Å; M142-M187 VanDerWaalsContact CG-CE 3.45Å
143T85Confident81.8Confident18 Ų1843.8 Ų43.811%0.1122%0.222CC..Hα-helixtrans-60.5-48.8177.9-53.70000111.4N139 Q140 T145 L146 T147 M187N139-T143 PolarHBondContact O-N 3.31Å; N139-T143 PolarHBondContact O-OG1 3.49Å; Q140-T143 PolarHBondContact O-N 3.01Å; T143-T145 VanDerWaalsContact C-N 3.33Å; T143-T145 PolarHBondContact O-N 2.97Å; T143-L146 PolarHBondContact O-N 3.43Å; T143-T147 WeakPolarHBondContact O-CB 3.27Å; T143-T147 PolarHBondContact O-N 2.72Å; T143-T147 PolarHBondContact O-OG1 3.44Å; T143-M187 WeakPolarHBondContact OG1-CG 3.31Å
144H88.1Confident81.5Confident33 Ų3341.5 Ų41.515%0.15321%0.212CC..Hα-helixtrans-66-35.5177.8-65.8-44.6000112.3L103 Q140 I141 S148L103-H144 HydrophobicContact CB-CB 3.84Å; Q140-H144 PolarHBondContact O-CD2 3.12Å; Q140-H144 PolarHBondContact O-N 3.2Å; Q140-H144 VanDerWaalsContact O-N 3.07Å; I141-H144 PolarHBondContact O-N 2.55Å; H144-S148 VanDerWaalsContact O-CB 3.29Å; H144-S148 WeakPolarHBondContact O-CB 3.47Å; H144-S148 PolarHBondContact O-N 2.81Å; H144-S148 PolarHBondContact O-OG 2.92Å
145T88.4Confident81.5Confident0 Ų037.1 Ų37.10%019%0.188CC..Hα-helixtrans-62.7-51174.8-57.20000111.1L103 L128 I131 V132 I141 M142 T143 S148 F149L103-T145 WeakPolarHBondContact CD1-OG1 3.43Å; L128-T145 HydrophobicContact CB-CG2 4.1Å; L128-T145 HydrophobicContact CD2-CG2 3.96Å; I131-T145 HydrophobicContact CB-CG2 4.24Å; I131-T145 HydrophobicContact CG2-CG2 3.97Å; V132-T145 HydrophobicContact CG2-CG2 3.79Å; I141-T145 WeakPolarHBondContact O-CB 3.45Å; I141-T145 PolarHBondContact O-N 3Å; I141-T145 PolarHBondContact O-OG1 2.81Å; M142-T145 WeakPolarHBondContact O-CB 3.1Å; M142-T145 PolarHBondContact O-N 2.83Å; T143-T145 VanDerWaalsContact C-N 3.33Å; T143-T145 PolarHBondContact O-N 2.97Å; T145-S148 PolarHBondContact O-N 3.36Å; T145-F149 VanDerWaalsContact O-CB 3.3Å; T145-F149 WeakPolarHBondContact O-CB 3.29Å; T145-F149 PolarHBondContact O-N 3.43Å
146L86.9Confident82.5Confident0 Ų034 Ų340%017%0.171CC..Hα-helixtrans-65.4-40.9179.8-68.1174.3000111.6V132 M142 T143 F149 T150 V171 I174 V190 I194V132-L146 HydrophobicContact CG1-CD2 4.45Å; V132-L146 HydrophobicContact CG2-CD2 3.85Å; M142-L146 HydrophobicContact CG-CD1 4.13Å; M142-L146 HydrophobicContact CG-CG 4.41Å; M142-L146 WeakPolarHBondContact O-CB 3.49Å; M142-L146 WeakPolarHBondContact O-CG 3.31Å; M142-L146 PolarHBondContact O-N 3.25Å; M142-L146 HydrophobicContact SD-CG 4.38Å; T143-L146 PolarHBondContact O-N 3.43Å; L146-F149 WeakPolarHBondContact O-CB 3.39Å; L146-F149 PolarHBondContact O-N 3.22Å; L146-T150 PolarHBondContact O-N 3.32Å; L146-T150 PolarHBondContact O-OG1 3.31Å; L146-V171 HydrophobicContact CD2-CG2 4.38Å; L146-I174 HydrophobicContact CD1-CD1 4.25Å; L146-I174 HydrophobicContact CD1-CG2 4.34Å; L146-V190 HydrophobicContact CB-CB 4.42Å; L146-V190 HydrophobicContact CB-CG1 3.65Å; L146-I194 HydrophobicContact CB-CD1 4.08Å; L146-I194 HydrophobicContact CD2-CD1 3.82Å; L146-I194 HydrophobicContact CG-CD1 4.46Å
147T86.9Confident83.3Confident34 Ų3425.8 Ų25.821%0.20914%0.143CC..Hα-helixtrans-62-48.8176.7-530000110.6A107 T143 F149 T150 E151A107-T147 HydrophobicContact CB-CG2 4.17Å; T143-T147 WeakPolarHBondContact O-CB 3.27Å; T143-T147 PolarHBondContact O-N 2.72Å; T143-T147 PolarHBondContact O-OG1 3.44Å; T147-F149 VanDerWaalsContact C-N 3.27Å; T147-F149 PolarHBondContact O-N 2.97Å; T147-T150 PolarHBondContact O-N 3.42Å; T147-E151 VanDerWaalsContact O-CG 3.25Å; T147-E151 WeakPolarHBondContact O-CG 3.33Å; T147-E151 PolarHBondContact O-N 3.35Å
148S88.6Confident83.9Confident0 Ų023.8 Ų23.80%013%0.134CC..Hα-helixtrans-58.9-41.6175.9-57.40000111.6L103 A107 H144 T145 E151 L152L103-S148 PolarHBondContact O-OG 2.88Å; A107-S148 VanDerWaalsContact CA-OG 3.24Å; A107-S148 WeakPolarHBondContact CA-OG 3.49Å; A107-S148 WeakPolarHBondContact CB-OG 3.19Å; A107-S148 PolarHBondContact N-OG 3.48Å; H144-S148 VanDerWaalsContact O-CB 3.29Å; H144-S148 WeakPolarHBondContact O-CB 3.47Å; H144-S148 PolarHBondContact O-N 2.81Å; H144-S148 PolarHBondContact O-OG 2.92Å; T145-S148 PolarHBondContact O-N 3.36Å; S148-E151 PolarHBondContact O-N 3.48Å; S148-L152 VanDerWaalsContact O-CG 3.24Å; S148-L152 WeakPolarHBondContact O-CG 3.34Å; S148-L152 PolarHBondContact O-N 3.17Å
149F89.9Confident84.3Confident1 Ų123.5 Ų23.50%0.00413%0.133CC..Hα-helixtrans-62.9-47.5177.8176.8-94.4000111.6L128 V129 T145 L146 T147 E151 L152 M153 W160 L163 F167 I194L128-F149 HydrophobicContact CB-CD2 4.44Å; L128-F149 HydrophobicContact CD1-CB 4.05Å; V129-F149 HydrophobicContact CG2-CE2 3.99Å; T145-F149 VanDerWaalsContact O-CB 3.3Å; T145-F149 WeakPolarHBondContact O-CB 3.29Å; T145-F149 PolarHBondContact O-N 3.43Å; L146-F149 WeakPolarHBondContact O-CB 3.39Å; L146-F149 PolarHBondContact O-N 3.22Å; T147-F149 VanDerWaalsContact C-N 3.27Å; T147-F149 PolarHBondContact O-N 2.97Å; F149-E151 PolarHBondContact O-N 3.26Å; F149-L152 PolarHBondContact O-N 2.93Å; F149-M153 HydrophobicContact CD1-CG 4.07Å; F149-M153 HydrophobicContact CD2-CG 4.21Å; F149-M153 HydrophobicContact CE1-CG 3.64Å; F149-M153 HydrophobicContact CE2-CG 3.79Å; F149-M153 HydrophobicContact CE2-SD 3.96Å; F149-M153 HydrophobicContact CG-CG 4.34Å; F149-M153 HydrophobicContact CZ-CE 4.36Å; F149-M153 HydrophobicContact CZ-CG 3.47Å; F149-M153 VanDerWaalsContact CZ-CG 3.47Å; F149-M153 HydrophobicContact CZ-SD 3.87Å; F149-M153 WeakPolarHBondContact O-CB 3.12Å; F149-M153 VanDerWaalsContact O-CG 3.23Å; F149-M153 WeakPolarHBondContact O-CG 3.33Å; F149-M153 PolarHBondContact O-N 3.3Å; F149-W160 HydrophobicContact CE1-CH2 4.28Å; F149-W160 AromaticContact CE1-CZ3 3.85Å; F149-W160 HydrophobicContact CE1-CZ3 3.85Å; F149-W160 HydrophobicContact CZ-CZ3 4.44Å; F149-L163 HydrophobicContact CE1-CD1 4.46Å; F149-L163 HydrophobicContact CE2-CD2 3.92Å; F149-L163 HydrophobicContact CZ-CD1 3.89Å; F149-L163 HydrophobicContact CZ-CD2 3.55Å; F149-L163 HydrophobicContact CZ-CG 4.38Å; F149-F167 AromaticContact CD1-CZ 3.98Å; F149-F167 HydrophobicContact CD1-CZ 3.98Å; F149-F167 HydrophobicContact CD2-CZ 4.46Å; F149-F167 AromaticContact CE1-CE1 3.94Å; F149-F167 HydrophobicContact CE1-CE1 3.94Å; F149-F167 AromaticContact CE1-CZ 3.66Å; F149-F167 HydrophobicContact CE1-CZ 3.66Å; F149-F167 HydrophobicContact CE2-CZ 4.18Å; F149-F167 HydrophobicContact CG-CZ 4.37Å; F149-F167 AromaticContact CZ-CE1 3.98Å; F149-F167 HydrophobicContact CZ-CE1 3.98Å; F149-F167 AromaticContact CZ-CZ 3.77Å; F149-F167 HydrophobicContact CZ-CZ 3.77Å; F149-I194 HydrophobicContact CD1-CD1 4.23Å
150T86.3Confident84.4Confident8 Ų820.5 Ų20.55%0.04912%0.115CC..Hα-helixtrans-57-50.2175.7-56.60000110.9L146 T147 L152 M153 D154 I194L146-T150 PolarHBondContact O-N 3.32Å; L146-T150 PolarHBondContact O-OG1 3.31Å; T147-T150 PolarHBondContact O-N 3.42Å; T150-L152 VanDerWaalsContact C-N 3.29Å; T150-L152 PolarHBondContact O-N 3.36Å; T150-M153 PolarHBondContact O-N 3.48Å; T150-M153 VanDerWaalsContact O-N 3.13Å; T150-D154 WeakPolarHBondContact O-CB 3.3Å; T150-D154 PolarHBondContact O-N 2.77Å; T150-I194 WeakPolarHBondContact OG1-CD1 3.23Å; T150-I194 VanDerWaalsContact OG1-CG1 3.22Å; T150-I194 WeakPolarHBondContact OG1-CG1 3.45Å
151E85.8Confident84.4Confident3 Ų320.3 Ų20.31%0.01411%0.114CC..Hα-helixtrans-58.5-38.4179.2-66-79.5-174.100112.6R111 T147 S148 F149 H155 Q558R111-E151 WeakPolarHBondContact CG-OE2 3.39Å; R111-E151 IonicContact NE-OE1 3.24Å; R111-E151 PolarHBondContact NE-OE1 3.14Å; T147-E151 VanDerWaalsContact O-CG 3.25Å; T147-E151 WeakPolarHBondContact O-CG 3.33Å; T147-E151 PolarHBondContact O-N 3.35Å; S148-E151 PolarHBondContact O-N 3.48Å; F149-E151 PolarHBondContact O-N 3.26Å; E151-H155 PolarHBondContact O-CD2 3.21Å; E151-H155 VanDerWaalsContact O-CD2 3.31Å; E151-H155 PolarHBondContact O-CE1 3.45Å; E151-H155 PolarHBondContact O-NE2 3.19Å; E151-Q558 PolarHBondContact OE1-NE2 3.46Å; E151-Q558 PolarHBondContact OE1-OE1 3.4Å
152L87.1Confident84.2Confident2 Ų225.5 Ų25.51%0.0114%0.142CC..Hα-helixtrans-69.5-42.2176.1-71171.8000112.5A116 F119 L128 S148 F149 T150 H155A116-L152 HydrophobicContact CB-CD2 3.56Å; F119-L152 HydrophobicContact CD1-CD1 3.78Å; F119-L152 HydrophobicContact CD1-CD2 4.4Å; F119-L152 HydrophobicContact CE1-CD1 3.97Å; L128-L152 HydrophobicContact CD1-CD1 3.67Å; S148-L152 VanDerWaalsContact O-CG 3.24Å; S148-L152 WeakPolarHBondContact O-CG 3.34Å; S148-L152 PolarHBondContact O-N 3.17Å; F149-L152 PolarHBondContact O-N 2.93Å; T150-L152 VanDerWaalsContact C-N 3.29Å; T150-L152 PolarHBondContact O-N 3.36Å; L152-H155 PolarHBondContact O-CD2 2.98Å
153M83.4Confident84.1Confident3 Ų326 Ų262%0.01514%0.144CC..Hα-helixtrans-72-31-178-67.2-60.9-67.400112.4F149 T150 H155 G156 V158 W160F149-M153 HydrophobicContact CD1-CG 4.07Å; F149-M153 HydrophobicContact CD2-CG 4.21Å; F149-M153 HydrophobicContact CE1-CG 3.64Å; F149-M153 HydrophobicContact CE2-CG 3.79Å; F149-M153 HydrophobicContact CE2-SD 3.96Å; F149-M153 HydrophobicContact CG-CG 4.34Å; F149-M153 HydrophobicContact CZ-CE 4.36Å; F149-M153 HydrophobicContact CZ-CG 3.47Å; F149-M153 VanDerWaalsContact CZ-CG 3.47Å; F149-M153 HydrophobicContact CZ-SD 3.87Å; F149-M153 WeakPolarHBondContact O-CB 3.12Å; F149-M153 VanDerWaalsContact O-CG 3.23Å; F149-M153 WeakPolarHBondContact O-CG 3.33Å; F149-M153 PolarHBondContact O-N 3.3Å; T150-M153 PolarHBondContact O-N 3.48Å; T150-M153 VanDerWaalsContact O-N 3.13Å; M153-H155 PolarHBondContact O-N 2.8Å; M153-G156 WeakPolarHBondContact O-CA 3.48Å; M153-G156 PolarHBondContact O-N 3.41Å; M153-V158 HydrophobicContact CE-CB 4.38Å; M153-V158 HydrophobicContact CE-CG1 4.27Å; M153-V158 HydrophobicContact SD-CB 3.95Å; M153-V158 HydrophobicContact SD-CG1 4.08Å; M153-W160 HydrophobicContact CB-CH2 3.75Å; M153-W160 HydrophobicContact CB-CZ2 3.43Å; M153-W160 VanDerWaalsContact CB-CZ2 3.43Å; M153-W160 HydrophobicContact CB-CZ3 4.43Å; M153-W160 HydrophobicContact CE-CB 4.33Å; M153-W160 HydrophobicContact CE-CD2 3.63Å; M153-W160 HydrophobicContact CE-CE3 3.93Å; M153-W160 HydrophobicContact CE-CG 3.81Å; M153-W160 HydrophobicContact CE-CZ3 4.48Å; M153-W160 HydrophobicContact CG-CH2 4.14Å; M153-W160 HydrophobicContact CG-CZ2 4.23Å; M153-W160 HydrophobicContact CG-CZ3 4.39Å
154D79.9Confident84Confident11 Ų1127 Ų276%0.05915%0.152CC..Hα-helixtrans-60.1-24.7177.3-82.38.8000113.2T150 G156 R556 R557 Q558T150-D154 WeakPolarHBondContact O-CB 3.3Å; T150-D154 PolarHBondContact O-N 2.77Å; D154-G156 PolarHBondContact O-N 3.46Å; D154-R556 WeakPolarHBondContact CA-O 3.37Å; D154-R556 VanDerWaalsContact CB-O 3.26Å; D154-R556 WeakPolarHBondContact CB-O 3.47Å; D154-R557 HydrophobicContact CB-CB 4.5Å; D154-R557 HydrophobicContact CB-CG 4Å; D154-Q558 PolarHBondContact OD2-N 2.82Å
155H81.2Confident83.7Confident11 Ų1128 Ų285%0.05117%0.167CC..THydrogen-bonded Turntrans-69.3-15.9172.4-55.6-33.3000113S110 A116 E151 L152 M153 I157 R555 R557S110-H155 PolarHBondContact O-CE1 3.42Å; S110-H155 PolarHBondContact O-NE2 2.98Å; A116-H155 WeakPolarHBondContact CB-CD2 3.49Å; A116-H155 WeakPolarHBondContact CB-NE2 2.87Å; E151-H155 PolarHBondContact O-CD2 3.21Å; E151-H155 VanDerWaalsContact O-CD2 3.31Å; E151-H155 PolarHBondContact O-CE1 3.45Å; E151-H155 PolarHBondContact O-NE2 3.19Å; L152-H155 PolarHBondContact O-CD2 2.98Å; M153-H155 PolarHBondContact O-N 2.8Å; H155-I157 HydrophobicContact CB-CD1 3.71Å; H155-I157 HydrophobicContact CB-CG1 3.85Å; H155-I157 PolarHBondContact O-N 2.92Å; H155-I157 VanDerWaalsContact O-N 3.17Å; H155-R555 WeakPolarHBondContact O-CD 3.32Å; H155-R555 PolarHBondContact O-NH1 2.83Å; H155-R557 PolarHBondContact CE1-NE 3.48Å; H155-R557 PolarHBondContact CE1-NH2 3.39Å; H155-R557 PolarHBondContact ND1-NE 3.08Å; H155-R557 PolarHBondContact ND1-NH2 2.83Å
156G79.1Confident83.5Confident26 Ų2632.2 Ų32.227%0.26819%0.192SC..THydrogen-bonded Turntrans57.421.5-174.700000114.6M153 D154 V158 R555M153-G156 WeakPolarHBondContact O-CA 3.48Å; M153-G156 PolarHBondContact O-N 3.41Å; D154-G156 PolarHBondContact O-N 3.46Å; G156-V158 VanDerWaalsContact C-N 3.28Å; G156-R555 PolarHBondContact O-NH1 3.13Å
157I81.9Confident83.5Confident53 Ų5332.2 Ų32.227%0.27219%0.192SC..SBendtrans-65.5-39.8173.4-62.7162000109V113 A116 Q117 I120 H155V113-I157 HydrophobicContact CG2-CD1 4.41Å; A116-I157 HydrophobicContact CB-CD1 4.48Å; Q117-I157 HydrophobicContact CB-CD1 4.49Å; I120-I157 HydrophobicContact CD1-CB 3.79Å; I120-I157 HydrophobicContact CD1-CD1 3.78Å; I120-I157 HydrophobicContact CD1-CG1 4.39Å; I120-I157 HydrophobicContact CD1-CG2 3.83Å; I120-I157 HydrophobicContact CG2-CG2 4.11Å; H155-I157 HydrophobicContact CB-CD1 3.71Å; H155-I157 HydrophobicContact CB-CG1 3.85Å; H155-I157 PolarHBondContact O-N 2.92Å; H155-I157 VanDerWaalsContact O-N 3.17Å
158V81.4Confident83.3Confident13 Ų1330.8 Ų30.88%0.07918%0.183CC..SBendtrans-103.8137.8176.5-177.90000109.4I120 M153 G156I120-V158 HydrophobicContact CD1-CG2 4.06Å; I120-V158 HydrophobicContact CG1-CG2 4.23Å; I120-V158 HydrophobicContact CG2-CG2 3.7Å; M153-V158 HydrophobicContact CE-CB 4.38Å; M153-V158 HydrophobicContact CE-CG1 4.27Å; M153-V158 HydrophobicContact SD-CB 3.95Å; M153-V158 HydrophobicContact SD-CG1 4.08Å; G156-V158 VanDerWaalsContact C-N 3.28Å
159S82.2Confident83Confident56 Ų5636 Ų3639%0.39221%0.206SC..  trans-75.2136.8173-178.60000110.8E161 N162S159-E161 PolarHBondContact O-N 3.31Å; S159-E161 VanDerWaalsContact O-N 3.14Å; S159-E161 PolarHBondContact OG-N 2.94Å; S159-N162 PolarHBondContact O-N 3.2Å
160W82Confident82.7Confident24 Ų2438.3 Ų38.39%0.09122%0.216CC..G310 helixtrans-59.7-19.3171-68.592.2000113.1F149 M153 N162 L163 I194 N197 M198 S201 L205F149-W160 HydrophobicContact CE1-CH2 4.28Å; F149-W160 AromaticContact CE1-CZ3 3.85Å; F149-W160 HydrophobicContact CE1-CZ3 3.85Å; F149-W160 HydrophobicContact CZ-CZ3 4.44Å; M153-W160 HydrophobicContact CB-CH2 3.75Å; M153-W160 HydrophobicContact CB-CZ2 3.43Å; M153-W160 VanDerWaalsContact CB-CZ2 3.43Å; M153-W160 HydrophobicContact CB-CZ3 4.43Å; M153-W160 HydrophobicContact CE-CB 4.33Å; M153-W160 HydrophobicContact CE-CD2 3.63Å; M153-W160 HydrophobicContact CE-CE3 3.93Å; M153-W160 HydrophobicContact CE-CG 3.81Å; M153-W160 HydrophobicContact CE-CZ3 4.48Å; M153-W160 HydrophobicContact CG-CH2 4.14Å; M153-W160 HydrophobicContact CG-CZ2 4.23Å; M153-W160 HydrophobicContact CG-CZ3 4.39Å; W160-N162 PolarHBondContact O-N 3.31Å; W160-L163 HydrophobicContact CE3-CD1 3.66Å; W160-L163 HydrophobicContact CZ3-CD1 4.23Å; W160-L163 WeakPolarHBondContact O-CG 3.39Å; W160-L163 PolarHBondContact O-N 3.08Å; W160-I194 HydrophobicContact CZ3-CG2 4.06Å; W160-N197 HydrophobicContact CH2-CB 4.11Å; W160-N197 HydrophobicContact CZ2-CB 3.87Å; W160-M198 HydrophobicContact CE3-CE 4.26Å; W160-M198 HydrophobicContact CE3-CG 3.61Å; W160-M198 HydrophobicContact CZ3-CE 4.16Å; W160-M198 HydrophobicContact CZ3-CG 3.89Å; W160-S201 VanDerWaalsContact CD1-OG 3.25Å; W160-L205 HydrophobicContact CB-CD1 3.57Å
161E79.4Confident82.4Confident112 Ų11237.9 Ų37.952%0.52321%0.213SC..G310 helixtrans-72.1-15.5178.9-60.4-171.415200113.6S159 L163 S202S159-E161 PolarHBondContact O-N 3.31Å; S159-E161 VanDerWaalsContact O-N 3.14Å; S159-E161 PolarHBondContact OG-N 2.94Å; E161-L163 PolarHBondContact O-N 3.11Å; E161-S202 WeakPolarHBondContact OE1-CB 3.33Å; E161-S202 PolarHBondContact OE1-OG 2.84Å
162N80.3Confident82Confident117 Ų11737.8 Ų37.863%0.62621%0.213SC*.G310 helixtrans-78.8-0.2179.2-67-10.4000113.1S159 W160S159-N162 PolarHBondContact O-N 3.2Å; W160-N162 PolarHBondContact O-N 3.31Å
163L81.7Confident81.6Confident21 Ų2139.2 Ų39.211%0.1122%0.22CC..  trans-81.2137.9-175.6-59.8174.9000112V129 F149 W160 E161 F167 M198V129-L163 HydrophobicContact CG2-CD2 3.97Å; F149-L163 HydrophobicContact CE1-CD1 4.46Å; F149-L163 HydrophobicContact CE2-CD2 3.92Å; F149-L163 HydrophobicContact CZ-CD1 3.89Å; F149-L163 HydrophobicContact CZ-CD2 3.55Å; F149-L163 HydrophobicContact CZ-CG 4.38Å; W160-L163 HydrophobicContact CE3-CD1 3.66Å; W160-L163 HydrophobicContact CZ3-CD1 4.23Å; W160-L163 WeakPolarHBondContact O-CG 3.39Å; W160-L163 PolarHBondContact O-N 3.08Å; E161-L163 PolarHBondContact O-N 3.11Å; L163-F167 HydrophobicContact CB-CD1 4.34Å; L163-F167 HydrophobicContact CD1-CD1 4.29Å; L163-F167 HydrophobicContact CD1-CE1 4.13Å; L163-F167 HydrophobicContact CD2-CD1 4.36Å; L163-F167 HydrophobicContact CD2-CE1 4.4Å; L163-M198 HydrophobicContact CD1-CE 3.53Å
164S83.3Confident81.2Confident38 Ų3839.6 Ų39.627%0.26622%0.222SC..  trans-71.6152-179.8950000111E133 V166 F167 I168E133-S164 WeakPolarHBondContact OE1-CB 3.34Å; E133-S164 PolarHBondContact OE1-OG 2.87Å; S164-V166 PolarHBondContact O-N 2.97Å; S164-V166 PolarHBondContact OG-N 3.21Å; S164-V166 VanDerWaalsContact OG-N 3.13Å; S164-F167 WeakPolarHBondContact O-CB 3.5Å; S164-F167 PolarHBondContact O-N 2.94Å; S164-F167 PolarHBondContact OG-N 2.77Å; S164-I168 WeakPolarHBondContact O-CG1 3.38Å; S164-I168 PolarHBondContact O-N 3.14Å
165A82.3Confident80.6Confident56 Ų5639.1 Ų39.146%0.46322%0.22SC..Hα-helixtrans-63-23.8171.600000112.7K169A165-K169 WeakPolarHBondContact O-CB 3.18Å; A165-K169 VanDerWaalsContact O-CG 3.31Å; A165-K169 WeakPolarHBondContact O-CG 3.41Å; A165-K169 PolarHBondContact O-N 2.78Å; A165-K169 VanDerWaalsContact O-N 3.13Å
166V84.4Confident80.1Confident88 Ų8839.1 Ų39.153%0.53322%0.223SC..Hα-helixtrans-71.4-44.4177.8-1750000110E133 S164 K169 K170E133-V166 HydrophobicContact CB-CG1 4.31Å; E133-V166 HydrophobicContact CG-CB 4.21Å; E133-V166 HydrophobicContact CG-CG1 3.9Å; S164-V166 PolarHBondContact O-N 2.97Å; S164-V166 PolarHBondContact OG-N 3.21Å; S164-V166 VanDerWaalsContact OG-N 3.13Å; V166-K169 PolarHBondContact O-N 3.43Å; V166-K170 WeakPolarHBondContact O-CB 3.39Å; V166-K170 PolarHBondContact O-N 2.69Å
167F86Confident79.3Confident0 Ų038 Ų380%021%0.211CC..Hα-helixtrans-57.9-50.1174.7-179.4-94.8000111.4V129 V132 E133 F149 L163 S164 K169 K170 V171 M198V129-F167 HydrophobicContact CB-CD2 4.12Å; V129-F167 HydrophobicContact CB-CE2 4.47Å; V129-F167 HydrophobicContact CG1-CB 4.13Å; V129-F167 HydrophobicContact CG1-CD2 3.86Å; V129-F167 HydrophobicContact CG1-CG 4.25Å; V129-F167 HydrophobicContact CG2-CD2 4.02Å; V129-F167 HydrophobicContact CG2-CE2 4.09Å; V132-F167 HydrophobicContact CB-CD2 3.79Å; V132-F167 HydrophobicContact CB-CE2 3.61Å; V132-F167 HydrophobicContact CG1-CD2 3.71Å; V132-F167 HydrophobicContact CG1-CE2 3.64Å; V132-F167 HydrophobicContact CG2-CD2 4.43Å; V132-F167 HydrophobicContact CG2-CE2 3.75Å; E133-F167 HydrophobicContact CG-CB 4.36Å; F149-F167 AromaticContact CD1-CZ 3.98Å; F149-F167 HydrophobicContact CD1-CZ 3.98Å; F149-F167 HydrophobicContact CD2-CZ 4.46Å; F149-F167 AromaticContact CE1-CE1 3.94Å; F149-F167 HydrophobicContact CE1-CE1 3.94Å; F149-F167 AromaticContact CE1-CZ 3.66Å; F149-F167 HydrophobicContact CE1-CZ 3.66Å; F149-F167 HydrophobicContact CE2-CZ 4.18Å; F149-F167 HydrophobicContact CG-CZ 4.37Å; F149-F167 AromaticContact CZ-CE1 3.98Å; F149-F167 HydrophobicContact CZ-CE1 3.98Å; F149-F167 AromaticContact CZ-CZ 3.77Å; F149-F167 HydrophobicContact CZ-CZ 3.77Å; L163-F167 HydrophobicContact CB-CD1 4.34Å; L163-F167 HydrophobicContact CD1-CD1 4.29Å; L163-F167 HydrophobicContact CD1-CE1 4.13Å; L163-F167 HydrophobicContact CD2-CD1 4.36Å; L163-F167 HydrophobicContact CD2-CE1 4.4Å; S164-F167 WeakPolarHBondContact O-CB 3.5Å; S164-F167 PolarHBondContact O-N 2.94Å; S164-F167 PolarHBondContact OG-N 2.77Å; F167-K169 PolarHBondContact O-N 3.29Å; F167-K170 WeakPolarHBondContact O-CA 3.06Å; F167-K170 WeakPolarHBondContact O-CB 3.47Å; F167-K170 PolarHBondContact O-N 2.83Å; F167-V171 HydrophobicContact CD1-CG2 4.07Å; F167-V171 HydrophobicContact CE1-CG2 3.67Å; F167-V171 HydrophobicContact CE2-CG2 4.39Å; F167-V171 HydrophobicContact CZ-CG2 3.85Å; F167-V171 WeakPolarHBondContact O-CG2 3.47Å; F167-V171 PolarHBondContact O-N 3.46Å; F167-M198 HydrophobicContact CD1-CE 4.04Å; F167-M198 HydrophobicContact CE1-CE 3.67Å
168I83.3Confident78.2Confident3 Ų337.6 Ų37.62%0.01521%0.211CC..Hα-helixtrans-59-48.2-179.9-63.9169.1000110.6S164 K170 V171 L172 M198 L205S164-I168 WeakPolarHBondContact O-CG1 3.38Å; S164-I168 PolarHBondContact O-N 3.14Å; I168-K170 PolarHBondContact O-N 3.4Å; I168-V171 PolarHBondContact O-N 2.86Å; I168-L172 HydrophobicContact CG2-CD1 3.83Å; I168-L172 HydrophobicContact CG2-CG 4.49Å; I168-L172 WeakPolarHBondContact O-CB 3.25Å; I168-L172 WeakPolarHBondContact O-CD1 3.43Å; I168-L172 WeakPolarHBondContact O-CG 3.29Å; I168-L172 PolarHBondContact O-N 3.46Å; I168-M198 HydrophobicContact CG1-CE 4.28Å; I168-M198 HydrophobicContact CG1-SD 4.44Å; I168-L205 HydrophobicContact CD1-CD2 3.81Å
169K83Confident77.2Confident110 Ų11041.1 Ų41.148%0.47823%0.229SC..Hα-helixtrans-58.3-32.6175.9-77.6-178.8176.9-166.70113A165 V166 F167 N173 E212A165-K169 WeakPolarHBondContact O-CB 3.18Å; A165-K169 VanDerWaalsContact O-CG 3.31Å; A165-K169 WeakPolarHBondContact O-CG 3.41Å; A165-K169 PolarHBondContact O-N 2.78Å; A165-K169 VanDerWaalsContact O-N 3.13Å; V166-K169 PolarHBondContact O-N 3.43Å; F167-K169 PolarHBondContact O-N 3.29Å; K169-N173 WeakPolarHBondContact O-CB 3.08Å; K169-N173 PolarHBondContact O-N 2.8Å; K169-E212 WeakPolarHBondContact CE-OE1 3.21Å; K169-E212 IonicContact NZ-OE1 2.64Å
170K82.6Confident75.8Confident49 Ų4944.1 Ų44.121%0.21325%0.25CS..Hα-helixtrans-77.7-42.8-179.9-165.466.8172.2-176.70112.5V132 V166 F167 I168 L172 N173 I174V132-K170 HydrophobicContact CG1-CB 4.26Å; V132-K170 HydrophobicContact CG1-CG 4.04Å; V132-K170 VanDerWaalsContact O-CG 3.25Å; V132-K170 WeakPolarHBondContact O-CG 3.49Å; V166-K170 WeakPolarHBondContact O-CB 3.39Å; V166-K170 PolarHBondContact O-N 2.69Å; F167-K170 WeakPolarHBondContact O-CA 3.06Å; F167-K170 WeakPolarHBondContact O-CB 3.47Å; F167-K170 PolarHBondContact O-N 2.83Å; I168-K170 PolarHBondContact O-N 3.4Å; K170-L172 VanDerWaalsContact C-N 3.27Å; K170-L172 PolarHBondContact O-N 2.75Å; K170-N173 WeakPolarHBondContact O-CA 3.49Å; K170-N173 VanDerWaalsContact O-CB 3.32Å; K170-N173 WeakPolarHBondContact O-CB 3.47Å; K170-N173 PolarHBondContact O-N 3.29Å; K170-I174 HydrophobicContact CG-CD1 4.42Å; K170-I174 WeakPolarHBondContact O-CG1 3.43Å; K170-I174 PolarHBondContact O-N 3.28Å
171V80.6Confident74.5Confident0 Ų046.3 Ų46.30%027%0.269CS..Hα-helixtrans-58.6-43.1171.7174.50000110.3V132 L146 F167 I168 N173 I174 A175 I194 L195V132-V171 HydrophobicContact CG1-CG2 4.4Å; L146-V171 HydrophobicContact CD2-CG2 4.38Å; F167-V171 HydrophobicContact CD1-CG2 4.07Å; F167-V171 HydrophobicContact CE1-CG2 3.67Å; F167-V171 HydrophobicContact CE2-CG2 4.39Å; F167-V171 HydrophobicContact CZ-CG2 3.85Å; F167-V171 WeakPolarHBondContact O-CG2 3.47Å; F167-V171 PolarHBondContact O-N 3.46Å; I168-V171 PolarHBondContact O-N 2.86Å; V171-N173 VanDerWaalsContact C-N 3.3Å; V171-N173 PolarHBondContact O-N 2.85Å; V171-I174 PolarHBondContact O-N 3.01Å; V171-A175 WeakPolarHBondContact O-CB 3.4Å; V171-A175 PolarHBondContact O-N 3.29Å; V171-I194 HydrophobicContact CG1-CB 4.41Å; V171-I194 HydrophobicContact CG1-CG2 4.06Å; V171-L195 HydrophobicContact CG1-CD2 4.18Å; V171-L195 HydrophobicContact CG1-CG 4.07Å
172L77.7Confident73.4Confident0 Ų046.9 Ų46.90%029%0.285CS..Hα-helixtrans-60.1-38.9173.6-71.7163.4000112.7I168 K170 G176 F177 V178 L195 E212 V213I168-L172 HydrophobicContact CG2-CD1 3.83Å; I168-L172 HydrophobicContact CG2-CG 4.49Å; I168-L172 WeakPolarHBondContact O-CB 3.25Å; I168-L172 WeakPolarHBondContact O-CD1 3.43Å; I168-L172 WeakPolarHBondContact O-CG 3.29Å; I168-L172 PolarHBondContact O-N 3.46Å; K170-L172 VanDerWaalsContact C-N 3.27Å; K170-L172 PolarHBondContact O-N 2.75Å; L172-G176 PolarHBondContact O-N 2.49Å; L172-F177 HydrophobicContact CB-CB 4.36Å; L172-F177 HydrophobicContact CD2-CB 4.21Å; L172-F177 HydrophobicContact CD2-CD2 4.09Å; L172-F177 HydrophobicContact CD2-CG 4.41Å; L172-F177 WeakPolarHBondContact O-CA 3.25Å; L172-F177 WeakPolarHBondContact O-CB 3.37Å; L172-F177 PolarHBondContact O-N 3.31Å; L172-V178 HydrophobicContact CB-CG2 3.97Å; L172-L195 HydrophobicContact CD2-CD1 3.86Å; L172-L195 HydrophobicContact CD2-CD2 3.72Å; L172-L195 HydrophobicContact CD2-CG 4.47Å; L172-L195 HydrophobicContact CG-CD2 4.03Å; L172-E212 HydrophobicContact CD1-CB 3.38Å; L172-E212 HydrophobicContact CD1-CG 3.9Å; L172-V213 HydrophobicContact CD2-CG2 3.23Å
173N79.1Confident72.6Confident32 Ų3242.6 Ų42.617%0.17126%0.263CS..Hα-helixtrans-64.7-45.4175-165.5-16.4000111.7K169 K170 V171 A175 G176 V178 N179K169-N173 WeakPolarHBondContact O-CB 3.08Å; K169-N173 PolarHBondContact O-N 2.8Å; K170-N173 WeakPolarHBondContact O-CA 3.49Å; K170-N173 VanDerWaalsContact O-CB 3.32Å; K170-N173 WeakPolarHBondContact O-CB 3.47Å; K170-N173 PolarHBondContact O-N 3.29Å; V171-N173 VanDerWaalsContact C-N 3.3Å; V171-N173 PolarHBondContact O-N 2.85Å; N173-A175 VanDerWaalsContact C-N 3.34Å; N173-A175 PolarHBondContact O-N 3.02Å; N173-G176 PolarHBondContact O-N 3.34Å; N173-V178 HydrophobicContact CB-CB 3.98Å; N173-V178 HydrophobicContact CB-CG2 4.32Å; N173-N179 PolarHBondContact ND2-ND2 3.48Å; N173-N179 WeakPolarHBondContact OD1-CB 3.46Å
174I73.9Confident72.4Confident12 Ų1245 Ų456%0.06228%0.276CS..Hα-helixtrans-63.2-42.1179.3-65.1164.2000111.3V132 M142 L146 K170 V171 G176 T183 M187 S191V132-I174 HydrophobicContact CG1-CD1 4.49Å; M142-I174 HydrophobicContact CG-CD1 3.87Å; M142-I174 HydrophobicContact SD-CD1 3.81Å; L146-I174 HydrophobicContact CD1-CD1 4.25Å; L146-I174 HydrophobicContact CD1-CG2 4.34Å; K170-I174 HydrophobicContact CG-CD1 4.42Å; K170-I174 WeakPolarHBondContact O-CG1 3.43Å; K170-I174 PolarHBondContact O-N 3.28Å; V171-I174 PolarHBondContact O-N 3.01Å; I174-G176 PolarHBondContact O-N 2.93Å; I174-G176 VanDerWaalsContact O-N 3.14Å; I174-T183 PolarHBondContact O-OG1 2.8Å; I174-M187 HydrophobicContact CG1-CE 4.49Å; I174-M187 HydrophobicContact CG2-CB 3.9Å; I174-M187 HydrophobicContact CG2-CE 3.67Å; I174-S191 VanDerWaalsContact CG2-OG 3.23Å; I174-S191 WeakPolarHBondContact CG2-OG 3.39Å
175A68.1Low72.2Confident0 Ų045.7 Ų45.70%028%0.279CS..THydrogen-bonded Turntrans-64.6-10.5174.300000113.4V171 N173 F177 L195 H221V171-A175 WeakPolarHBondContact O-CB 3.4Å; V171-A175 PolarHBondContact O-N 3.29Å; N173-A175 VanDerWaalsContact C-N 3.34Å; N173-A175 PolarHBondContact O-N 3.02Å; A175-F177 HydrophobicContact CB-CD2 3.53Å; A175-F177 HydrophobicContact CB-CE2 3.71Å; A175-L195 HydrophobicContact CB-CD1 4.04Å; A175-H221 PolarHBondContact O-CE1 2.92Å; A175-H221 PolarHBondContact O-NE2 3.43Å
176G69Low72Confident12 Ų1244.7 Ų44.712%0.12427%0.269CS..THydrogen-bonded Turntrans92.36.1179.300000114.4L172 N173 I174L172-G176 PolarHBondContact O-N 2.49Å; N173-G176 PolarHBondContact O-N 3.34Å; I174-G176 PolarHBondContact O-N 2.93Å; I174-G176 VanDerWaalsContact O-N 3.14Å
177F62.3Low71.9Confident1 Ų140.9 Ų40.90%0.00425%0.245CC..SBendtrans-82.7-6.9-179.1-66-71.4000114.6L172 A175 L192 L195 V213 R217 L218 H221 L236L172-F177 HydrophobicContact CB-CB 4.36Å; L172-F177 HydrophobicContact CD2-CB 4.21Å; L172-F177 HydrophobicContact CD2-CD2 4.09Å; L172-F177 HydrophobicContact CD2-CG 4.41Å; L172-F177 WeakPolarHBondContact O-CA 3.25Å; L172-F177 WeakPolarHBondContact O-CB 3.37Å; L172-F177 PolarHBondContact O-N 3.31Å; A175-F177 HydrophobicContact CB-CD2 3.53Å; A175-F177 HydrophobicContact CB-CE2 3.71Å; F177-L192 HydrophobicContact CE2-CD2 3.64Å; F177-L192 HydrophobicContact CZ-CD2 3.84Å; F177-L195 HydrophobicContact CD2-CD1 3.99Å; F177-L195 HydrophobicContact CE2-CD1 3.81Å; F177-V213 HydrophobicContact CD1-CB 4.45Å; F177-V213 HydrophobicContact CD1-CG1 3.82Å; F177-V213 HydrophobicContact CD1-CG2 4.37Å; F177-V213 HydrophobicContact CD2-CG2 4.25Å; F177-V213 HydrophobicContact CE1-CG1 3.64Å; F177-V213 HydrophobicContact CG-CG1 4.44Å; F177-V213 HydrophobicContact CG-CG2 4.2Å; F177-V213 HydrophobicContact CZ-CG1 4.13Å; F177-R217 VanDerWaalsContact C-NH1 3.26Å; F177-R217 HydrophobicContact CD1-CB 3.68Å; F177-R217 HydrophobicContact CE1-CB 4.18Å; F177-R217 WeakPolarHBondContact O-CD 3.38Å; F177-R217 PolarHBondContact O-NH1 3.17Å; F177-L218 HydrophobicContact CE1-CB 4.03Å; F177-L218 HydrophobicContact CE1-CD1 4.17Å; F177-L218 HydrophobicContact CZ-CD1 3.91Å; F177-H221 AromaticContact CE1-CD2 3.77Å; F177-H221 AromaticContact CZ-CD2 3.85Å; F177-L236 HydrophobicContact CE2-CD2 4.11Å; F177-L236 HydrophobicContact CZ-CD2 3.98Å
178V59.1Low71.7Confident46 Ų4642.1 Ų42.128%0.27925%0.251SS..SBendtrans-118.8-53.7178.8-175.30000112L172 N173 R217L172-V178 HydrophobicContact CB-CG2 3.97Å; N173-V178 HydrophobicContact CB-CB 3.98Å; N173-V178 HydrophobicContact CB-CG2 4.32Å; V178-R217 PolarHBondContact O-NH1 2.88Å; V178-R217 PolarHBondContact O-NH2 3.28Å
179N60.6Low71.7Confident87 Ų8743.7 Ų43.747%0.46526%0.258SS..  trans-120.3133.9177.8-65.3-23.2000111.8N173 S181N173-N179 PolarHBondContact ND2-ND2 3.48Å; N173-N179 WeakPolarHBondContact OD1-CB 3.46Å; N179-S181 PolarHBondContact O-N 3.48Å
180S53.7Low71.6Confident119 Ų11939.6 Ų39.683%0.83224%0.242SC*.  trans-79.143.6177.9-47.70000113.4
181S55.2Low71.8Confident69 Ų6937.3 Ų37.348%0.48323%0.232SC..  trans-86.1141.6171.150.60000109.9N179 T183N179-S181 PolarHBondContact O-N 3.48Å; S181-T183 VanDerWaalsContact C-N 3.32Å; S181-T183 PolarHBondContact O-N 2.88Å
182S55.6Low72Confident124 Ų12437.3 Ų37.387%0.86723%0.232SC*.  trans-60.688.6175.655.70000111
183T64Low72.3Confident27 Ų2738.9 Ų38.917%0.16624%0.241CC..  trans-82.2151.8170.747.80000110I174 S181 Q188I174-T183 PolarHBondContact O-OG1 2.8Å; S181-T183 VanDerWaalsContact C-N 3.32Å; S181-T183 PolarHBondContact O-N 2.88Å; T183-Q188 VanDerWaalsContact OG1-CG 3.32Å; T183-Q188 WeakPolarHBondContact OG1-CG 3.49Å; T183-Q188 PolarHBondContact OG1-NE2 3.46Å
184D76.3Confident72.6Confident72 Ų7237.4 Ų37.439%0.38523%0.233SC..  trans-64146.7179.3-171.413.8000110.9S186 M187 Q188D184-S186 VanDerWaalsContact C-N 3.28Å; D184-S186 PolarHBondContact O-N 3.35Å; D184-S186 PolarHBondContact OD2-OG 2.95Å; D184-M187 HydrophobicContact CB-CB 4.42Å; D184-M187 HydrophobicContact CB-CG 4.09Å; D184-M187 HydrophobicContact CB-SD 4.07Å; D184-M187 PolarHBondContact O-N 2.9Å; D184-Q188 WeakPolarHBondContact O-CG 3.48Å; D184-Q188 PolarHBondContact O-N 3.03Å; D184-Q188 VanDerWaalsContact O-N 3.09Å
185V79.4Confident73.2Confident53 Ų5336.8 Ų36.832%0.32123%0.23SC..Hα-helixtrans-58.4-43-179170.60000110.7M187 Q188 Q189 N226 I229V185-M187 PolarHBondContact O-N 3.3Å; V185-Q188 PolarHBondContact O-N 2.68Å; V185-Q189 WeakPolarHBondContact O-CG 3.39Å; V185-Q189 PolarHBondContact O-N 3.15Å; V185-N226 WeakPolarHBondContact CG1-ND2 3.39Å; V185-I229 HydrophobicContact CB-CD1 4.43Å; V185-I229 HydrophobicContact CG1-CD1 3.97Å; V185-I229 HydrophobicContact CG1-CG1 4.19Å; V185-I229 HydrophobicContact CG2-CD1 4.24Å
186S78.9Confident74.1Confident35 Ų3538.7 Ų38.725%0.24524%0.239CC..Hα-helixtrans-61.5-43.8179.1640000112.1D184 Q188 Q189 V190D184-S186 VanDerWaalsContact C-N 3.28Å; D184-S186 PolarHBondContact O-N 3.35Å; D184-S186 PolarHBondContact OD2-OG 2.95Å; S186-Q188 PolarHBondContact O-N 2.77Å; S186-Q189 PolarHBondContact O-N 2.99Å; S186-V190 WeakPolarHBondContact O-CG2 3.35Å; S186-V190 PolarHBondContact O-N 3.27Å
187M80.9Confident74.9Confident7 Ų739.2 Ų39.23%0.03424%0.239CC..Hα-helixtrans-63.7-41.6177-67.8177.663.500112.1N139 M142 T143 I174 D184 V185 S191N139-M187 VanDerWaalsContact CA-SD 3.53Å; N139-M187 HydrophobicContact CB-SD 3.48Å; N139-M187 WeakPolarHBondContact CB-SD 3.44Å; M142-M187 HydrophobicContact CB-CE 3.65Å; M142-M187 HydrophobicContact CB-SD 4.42Å; M142-M187 HydrophobicContact CG-CE 3.45Å; M142-M187 VanDerWaalsContact CG-CE 3.45Å; T143-M187 WeakPolarHBondContact OG1-CG 3.31Å; I174-M187 HydrophobicContact CG1-CE 4.49Å; I174-M187 HydrophobicContact CG2-CB 3.9Å; I174-M187 HydrophobicContact CG2-CE 3.67Å; D184-M187 HydrophobicContact CB-CB 4.42Å; D184-M187 HydrophobicContact CB-CG 4.09Å; D184-M187 HydrophobicContact CB-SD 4.07Å; D184-M187 PolarHBondContact O-N 2.9Å; V185-M187 PolarHBondContact O-N 3.3Å; M187-S191 VanDerWaalsContact O-CB 3.27Å; M187-S191 WeakPolarHBondContact O-CB 3.49Å; M187-S191 PolarHBondContact O-N 3.19Å; M187-S191 PolarHBondContact O-OG 2.83Å
188Q81.8Confident75.9Confident26 Ų2639.2 Ų39.212%0.12124%0.239CC..Hα-helixtrans-64.2-42.4178-71.5-179.6-5.800111.4T183 D184 V185 S186 S191 L192T183-Q188 VanDerWaalsContact OG1-CG 3.32Å; T183-Q188 WeakPolarHBondContact OG1-CG 3.49Å; T183-Q188 PolarHBondContact OG1-NE2 3.46Å; D184-Q188 WeakPolarHBondContact O-CG 3.48Å; D184-Q188 PolarHBondContact O-N 3.03Å; D184-Q188 VanDerWaalsContact O-N 3.09Å; V185-Q188 PolarHBondContact O-N 2.68Å; S186-Q188 PolarHBondContact O-N 2.77Å; Q188-S191 PolarHBondContact O-N 2.85Å; Q188-L192 WeakPolarHBondContact O-CB 3.23Å; Q188-L192 VanDerWaalsContact O-CG 3.28Å; Q188-L192 WeakPolarHBondContact O-CG 3.38Å; Q188-L192 PolarHBondContact O-N 3.16Å
189Q83Confident77.1Confident37 Ų3737.2 Ų37.217%0.17323%0.226CC..Hα-helixtrans-59.1-56.3178.1-73.3168.4-6.300111.8V185 S186 S191 L192 D193 I229V185-Q189 WeakPolarHBondContact O-CG 3.39Å; V185-Q189 PolarHBondContact O-N 3.15Å; S186-Q189 PolarHBondContact O-N 2.99Å; Q189-S191 PolarHBondContact O-N 3.05Å; Q189-L192 PolarHBondContact O-N 3.49Å; Q189-L192 VanDerWaalsContact O-N 3.1Å; Q189-D193 PolarHBondContact O-N 3.33Å; Q189-I229 HydrophobicContact CG-CG1 4.39Å
190V82.7Confident78.3Confident24 Ų2435.5 Ų35.515%0.14522%0.217CC..Hα-helixtrans-61.8-36-178.8-177.20000110.9L146 S186 D193 I194L146-V190 HydrophobicContact CB-CB 4.42Å; L146-V190 HydrophobicContact CB-CG1 3.65Å; S186-V190 WeakPolarHBondContact O-CG2 3.35Å; S186-V190 PolarHBondContact O-N 3.27Å; V190-D193 PolarHBondContact O-N 3.34Å; V190-I194 HydrophobicContact CG1-CD1 4.06Å; V190-I194 VanDerWaalsContact O-CG1 3.25Å; V190-I194 WeakPolarHBondContact O-CG1 3.33Å; V190-I194 PolarHBondContact O-N 3.48Å
191S85.3Confident79.7Confident0 Ų032.7 Ų32.70%020%0.198CC..Hα-helixtrans-67.7-38.5177.2-57.60000112.6I174 M187 Q188 Q189 I194 L195I174-S191 VanDerWaalsContact CG2-OG 3.23Å; I174-S191 WeakPolarHBondContact CG2-OG 3.39Å; M187-S191 VanDerWaalsContact O-CB 3.27Å; M187-S191 WeakPolarHBondContact O-CB 3.49Å; M187-S191 PolarHBondContact O-N 3.19Å; M187-S191 PolarHBondContact O-OG 2.83Å; Q188-S191 PolarHBondContact O-N 2.85Å; Q189-S191 PolarHBondContact O-N 3.05Å; S191-I194 PolarHBondContact O-N 3.06Å; S191-L195 VanDerWaalsContact O-CG 3.27Å; S191-L195 WeakPolarHBondContact O-CG 3.46Å; S191-L195 PolarHBondContact O-N 3.16Å
192L86.1Confident80.9Confident0 Ų030.1 Ų30.10%018%0.18CC..Hα-helixtrans-66-41.4175.1-73.3167.5000111.4F177 Q188 Q189 I194 L195 E196 I229 K232 A233 L236F177-L192 HydrophobicContact CE2-CD2 3.64Å; F177-L192 HydrophobicContact CZ-CD2 3.84Å; Q188-L192 WeakPolarHBondContact O-CB 3.23Å; Q188-L192 VanDerWaalsContact O-CG 3.28Å; Q188-L192 WeakPolarHBondContact O-CG 3.38Å; Q188-L192 PolarHBondContact O-N 3.16Å; Q189-L192 PolarHBondContact O-N 3.49Å; Q189-L192 VanDerWaalsContact O-N 3.1Å; L192-I194 VanDerWaalsContact C-N 3.35Å; L192-I194 PolarHBondContact O-N 3.06Å; L192-L195 PolarHBondContact O-N 3.19Å; L192-E196 PolarHBondContact O-N 3.13Å; L192-I229 HydrophobicContact CD1-CG2 4.37Å; L192-K232 HydrophobicContact CB-CB 3.87Å; L192-K232 HydrophobicContact CD1-CB 3.94Å; L192-A233 HydrophobicContact CD1-CB 4.46Å; L192-L236 HydrophobicContact CD2-CD2 3.75Å
193D83.6Confident82.2Confident34 Ų3428.7 Ų28.718%0.18216%0.155CC..Hα-helixtrans-62.1-41.5175.3-73.5-30.8000112Q189 V190 E196 N197 K232Q189-D193 PolarHBondContact O-N 3.33Å; V190-D193 PolarHBondContact O-N 3.34Å; D193-E196 PolarHBondContact O-N 3.07Å; D193-N197 PolarHBondContact O-N 3.47Å; D193-N197 PolarHBondContact O-ND2 3.06Å; D193-N197 VanDerWaalsContact O-ND2 3.09Å; D193-K232 WeakPolarHBondContact OD1-CD 3.43Å; D193-K232 WeakPolarHBondContact OD1-CE 3.37Å; D193-K232 IonicContact OD1-NZ 3.53Å; D193-K232 PolarHBondContact OD1-NZ 3.22Å; D193-K232 WeakPolarHBondContact OD2-CE 3.31Å; D193-K232 IonicContact OD2-NZ 2.78Å; D193-K232 PolarHBondContact OD2-NZ 3.02Å
194I85.6Confident83.2Confident0 Ų033 Ų330%017%0.173CC..Hα-helixtrans-60.8-46174.6-73.2167.6000110.6L146 F149 T150 W160 V171 V190 S191 L192 E196 N197 M198L146-I194 HydrophobicContact CB-CD1 4.08Å; L146-I194 HydrophobicContact CD2-CD1 3.82Å; L146-I194 HydrophobicContact CG-CD1 4.46Å; F149-I194 HydrophobicContact CD1-CD1 4.23Å; T150-I194 WeakPolarHBondContact OG1-CD1 3.23Å; T150-I194 VanDerWaalsContact OG1-CG1 3.22Å; T150-I194 WeakPolarHBondContact OG1-CG1 3.45Å; W160-I194 HydrophobicContact CZ3-CG2 4.06Å; V171-I194 HydrophobicContact CG1-CB 4.41Å; V171-I194 HydrophobicContact CG1-CG2 4.06Å; V190-I194 HydrophobicContact CG1-CD1 4.06Å; V190-I194 VanDerWaalsContact O-CG1 3.25Å; V190-I194 WeakPolarHBondContact O-CG1 3.33Å; V190-I194 PolarHBondContact O-N 3.48Å; S191-I194 PolarHBondContact O-N 3.06Å; L192-I194 VanDerWaalsContact C-N 3.35Å; L192-I194 PolarHBondContact O-N 3.06Å; I194-E196 VanDerWaalsContact C-N 3.34Å; I194-E196 PolarHBondContact O-N 3.4Å; I194-N197 PolarHBondContact O-N 3.44Å; I194-M198 HydrophobicContact CG2-CE 3.47Å; I194-M198 VanDerWaalsContact CG2-CE 3.47Å; I194-M198 HydrophobicContact CG2-CG 4.4Å; I194-M198 HydrophobicContact CG2-SD 3.98Å; I194-M198 WeakPolarHBondContact O-CB 3.37Å; I194-M198 VanDerWaalsContact O-CG 3.24Å; I194-M198 WeakPolarHBondContact O-CG 3.48Å; I194-M198 PolarHBondContact O-N 3.02Å
195L86.4Confident83.5Confident0 Ų029.8 Ų29.80%016%0.156CC..Hα-helixtrans-64.3-39.6179.5-69.8170.1000111.9V171 L172 A175 F177 S191 L192 M198 V199 V209 L236V171-L195 HydrophobicContact CG1-CD2 4.18Å; V171-L195 HydrophobicContact CG1-CG 4.07Å; L172-L195 HydrophobicContact CD2-CD1 3.86Å; L172-L195 HydrophobicContact CD2-CD2 3.72Å; L172-L195 HydrophobicContact CD2-CG 4.47Å; L172-L195 HydrophobicContact CG-CD2 4.03Å; A175-L195 HydrophobicContact CB-CD1 4.04Å; F177-L195 HydrophobicContact CD2-CD1 3.99Å; F177-L195 HydrophobicContact CE2-CD1 3.81Å; S191-L195 VanDerWaalsContact O-CG 3.27Å; S191-L195 WeakPolarHBondContact O-CG 3.46Å; S191-L195 PolarHBondContact O-N 3.16Å; L192-L195 PolarHBondContact O-N 3.19Å; L195-M198 HydrophobicContact CD2-SD 4.24Å; L195-M198 PolarHBondContact O-N 2.84Å; L195-V199 VanDerWaalsContact O-CG2 3.29Å; L195-V199 WeakPolarHBondContact O-CG2 3.35Å; L195-V199 PolarHBondContact O-N 3.35Å; L195-V209 HydrophobicContact CD2-CG1 4.37Å; L195-V209 HydrophobicContact CD2-CG2 4.11Å; L195-L236 HydrophobicContact CB-CD1 3.93Å; L195-L236 HydrophobicContact CB-CD2 4.19Å; L195-L236 HydrophobicContact CD1-CD2 4.28Å
196E87.8Confident83.8Confident39 Ų3927.3 Ų27.318%0.18214%0.141CC..Hα-helixtrans-60.2-49.4175.5-169.1-16214900111L192 D193 I194 M198 V199 L200 A235 A239L192-E196 PolarHBondContact O-N 3.13Å; D193-E196 PolarHBondContact O-N 3.07Å; I194-E196 VanDerWaalsContact C-N 3.34Å; I194-E196 PolarHBondContact O-N 3.4Å; E196-M198 PolarHBondContact O-N 2.76Å; E196-V199 PolarHBondContact O-N 3.41Å; E196-L200 HydrophobicContact CG-CD1 3.96Å; E196-L200 WeakPolarHBondContact O-CG 3.48Å; E196-L200 PolarHBondContact O-N 3.12Å; E196-L200 VanDerWaalsContact O-N 3.09Å; E196-A235 VanDerWaalsContact OE2-CB 3.24Å; E196-A235 WeakPolarHBondContact OE2-CB 3.44Å; E196-A239 HydrophobicContact CG-CB 3.75Å
197N83.9Confident84Confident24 Ų2429.1 Ų29.113%0.12815%0.148CC..Hα-helixtrans-64.3-37.8178.3-78-48.6000112.6W160 D193 I194 L200 S201W160-N197 HydrophobicContact CH2-CB 4.11Å; W160-N197 HydrophobicContact CZ2-CB 3.87Å; D193-N197 PolarHBondContact O-N 3.47Å; D193-N197 PolarHBondContact O-ND2 3.06Å; D193-N197 VanDerWaalsContact O-ND2 3.09Å; I194-N197 PolarHBondContact O-N 3.44Å; N197-L200 PolarHBondContact O-N 2.77Å; N197-S201 VanDerWaalsContact O-CB 3.28Å; N197-S201 WeakPolarHBondContact O-CB 3.21Å; N197-S201 PolarHBondContact O-N 3.36Å; N197-S201 PolarHBondContact O-OG 3.11Å
198M84Confident84.1Confident0 Ų031.5 Ų31.50%016%0.159CC..Hα-helixtrans-60.5-47.6173.6-75.7173174.800111.9W160 L163 F167 I168 I194 L195 E196 L200 S201 S202 L205W160-M198 HydrophobicContact CE3-CE 4.26Å; W160-M198 HydrophobicContact CE3-CG 3.61Å; W160-M198 HydrophobicContact CZ3-CE 4.16Å; W160-M198 HydrophobicContact CZ3-CG 3.89Å; L163-M198 HydrophobicContact CD1-CE 3.53Å; F167-M198 HydrophobicContact CD1-CE 4.04Å; F167-M198 HydrophobicContact CE1-CE 3.67Å; I168-M198 HydrophobicContact CG1-CE 4.28Å; I168-M198 HydrophobicContact CG1-SD 4.44Å; I194-M198 HydrophobicContact CG2-CE 3.47Å; I194-M198 VanDerWaalsContact CG2-CE 3.47Å; I194-M198 HydrophobicContact CG2-CG 4.4Å; I194-M198 HydrophobicContact CG2-SD 3.98Å; I194-M198 WeakPolarHBondContact O-CB 3.37Å; I194-M198 VanDerWaalsContact O-CG 3.24Å; I194-M198 WeakPolarHBondContact O-CG 3.48Å; I194-M198 PolarHBondContact O-N 3.02Å; L195-M198 HydrophobicContact CD2-SD 4.24Å; L195-M198 PolarHBondContact O-N 2.84Å; E196-M198 PolarHBondContact O-N 2.76Å; M198-L200 VanDerWaalsContact C-N 3.3Å; M198-L200 PolarHBondContact O-N 3.08Å; M198-S201 PolarHBondContact O-N 3.08Å; M198-S202 PolarHBondContact O-N 2.72Å; M198-L205 HydrophobicContact CB-CB 4.37Å; M198-L205 HydrophobicContact CB-CD1 4.24Å; M198-L205 HydrophobicContact CG-CD1 4.43Å; M198-L205 WeakPolarHBondContact O-CB 3.03Å
199V85.5Confident84.3Confident4 Ų430.2 Ų30.22%0.02415%0.153CC..Hα-helixtrans-60.1-41.7-179.8162.90000111.4L195 E196 S201 F206 V209 L236 A239 L240 A243L195-V199 VanDerWaalsContact O-CG2 3.29Å; L195-V199 WeakPolarHBondContact O-CG2 3.35Å; L195-V199 PolarHBondContact O-N 3.35Å; E196-V199 PolarHBondContact O-N 3.41Å; V199-S201 VanDerWaalsContact C-N 3.33Å; V199-F206 HydrophobicContact CG1-CD2 3.94Å; V199-V209 HydrophobicContact CG2-CB 4.01Å; V199-V209 HydrophobicContact CG2-CG1 3.81Å; V199-V209 HydrophobicContact CG2-CG2 4.27Å; V199-L236 HydrophobicContact CG2-CD1 4.26Å; V199-A239 HydrophobicContact CB-CB 4.45Å; V199-A239 HydrophobicContact CG1-CB 3.94Å; V199-L240 HydrophobicContact CG1-CD2 4.14Å; V199-L240 HydrophobicContact CG2-CD2 3.71Å; V199-L240 HydrophobicContact CG2-CG 4.41Å; V199-A243 HydrophobicContact CG1-CB 3.82Å
200L84.1Confident84.3Confident51 Ų5130.6 Ų30.627%0.26715%0.154SC..Hα-helixtrans-80.2-15.7-177.4-66.6166.8000113.1E196 N197 M198 A239 R556E196-L200 HydrophobicContact CG-CD1 3.96Å; E196-L200 WeakPolarHBondContact O-CG 3.48Å; E196-L200 PolarHBondContact O-N 3.12Å; E196-L200 VanDerWaalsContact O-N 3.09Å; N197-L200 PolarHBondContact O-N 2.77Å; M198-L200 VanDerWaalsContact C-N 3.3Å; M198-L200 PolarHBondContact O-N 3.08Å; L200-A239 HydrophobicContact CD1-CB 3.82Å; L200-A239 HydrophobicContact CD2-CB 4.07Å; L200-A239 HydrophobicContact CG-CB 3.85Å; L200-R556 VanDerWaalsContact CB-NH1 3.29Å
201S82.8Confident84.3Confident61 Ų6136.8 Ų36.843%0.42718%0.181SC..Hα-helixtrans-83.9-43.2-177.6-66.90000113.9W160 N197 M198 V199W160-S201 VanDerWaalsContact CD1-OG 3.25Å; N197-S201 VanDerWaalsContact O-CB 3.28Å; N197-S201 WeakPolarHBondContact O-CB 3.21Å; N197-S201 PolarHBondContact O-N 3.36Å; N197-S201 PolarHBondContact O-OG 3.11Å; M198-S201 PolarHBondContact O-N 3.08Å; V199-S201 VanDerWaalsContact C-N 3.33Å
202S82.2Confident84Confident15 Ų1540 Ų4011%0.10520%0.196CC..  trans-149.3140.9-171.51690000112.9E161 M198 Q204 L205 F206E161-S202 WeakPolarHBondContact OE1-CB 3.33Å; E161-S202 PolarHBondContact OE1-OG 2.84Å; M198-S202 PolarHBondContact O-N 2.72Å; S202-Q204 VanDerWaalsContact C-N 3.28Å; S202-Q204 PolarHBondContact O-N 3.38Å; S202-Q204 PolarHBondContact OG-N 3.31Å; S202-L205 PolarHBondContact O-N 3.33Å; S202-F206 PolarHBondContact O-N 2.83Å
203R82.8Confident83.8Confident93 Ų9340.1 Ų40.135%0.35120%0.197SC..Hα-helixtrans-62.2-34.7176.8-17770.4171.5101.3-7.4112.1F206 L207 E245 D248R203-F206 PolarHBondContact O-N 2.62Å; R203-L207 VanDerWaalsContact NH1-CG 3.3Å; R203-L207 PolarHBondContact O-N 3.31Å; R203-L207 VanDerWaalsContact O-N 3.1Å; R203-E245 IonicContact CZ-OE1 3.93Å; R203-E245 IonicContact NE-OE1 2.72Å; R203-E245 PolarHBondContact NE-OE1 3.07Å; R203-E245 VanDerWaalsContact NE-OE1 3.12Å; R203-E245 VanDerWaalsContact NH2-CD 3.26Å; R203-E245 IonicContact NH2-OE1 2.88Å; R203-E245 PolarHBondContact NH2-OE1 3.34Å; R203-E245 IonicContact NH2-OE2 2.63Å; R203-D248 IonicContact NH2-OD2 3.48Å
204Q83.3Confident83.7Confident118 Ų11841.5 Ų41.555%0.55121%0.207SC*.Hα-helixtrans-66.9-42.8179-178.5175.8-10.300110.9S202 L207 Q208S202-Q204 VanDerWaalsContact C-N 3.28Å; S202-Q204 PolarHBondContact O-N 3.38Å; S202-Q204 PolarHBondContact OG-N 3.31Å; Q204-L207 PolarHBondContact O-N 3.29Å; Q204-Q208 WeakPolarHBondContact O-CG 3.42Å; Q204-Q208 PolarHBondContact O-N 3.17Å; Q204-Q208 VanDerWaalsContact O-N 3.14Å
205L82.8Confident83.6Confident5 Ų542.7 Ų42.73%0.02621%0.213CC..Hα-helixtrans-65.6-41.4175.8-65176000111.2W160 I168 M198 S202 L207 Q208 V209W160-L205 HydrophobicContact CB-CD1 3.57Å; I168-L205 HydrophobicContact CD1-CD2 3.81Å; M198-L205 HydrophobicContact CB-CB 4.37Å; M198-L205 HydrophobicContact CB-CD1 4.24Å; M198-L205 HydrophobicContact CG-CD1 4.43Å; M198-L205 WeakPolarHBondContact O-CB 3.03Å; S202-L205 PolarHBondContact O-N 3.33Å; L205-L207 VanDerWaalsContact C-N 3.31Å; L205-L207 PolarHBondContact O-N 2.96Å; L205-Q208 PolarHBondContact O-N 3.16Å; L205-V209 WeakPolarHBondContact O-CB 3.5Å; L205-V209 VanDerWaalsContact O-CG2 3.31Å; L205-V209 WeakPolarHBondContact O-CG2 3.49Å; L205-V209 PolarHBondContact O-N 3.26Å
206F85.6Confident83.4Confident1 Ų147.9 Ų47.90%0.00424%0.237CC..Hα-helixtrans-54.6-45.5172.2165.7-89.5000112.2V199 S202 R203 Q208 V209 K210 L240 A243 A244V199-F206 HydrophobicContact CG1-CD2 3.94Å; S202-F206 PolarHBondContact O-N 2.83Å; R203-F206 PolarHBondContact O-N 2.62Å; F206-Q208 VanDerWaalsContact C-N 3.35Å; F206-Q208 PolarHBondContact O-N 3.13Å; F206-V209 PolarHBondContact O-N 2.94Å; F206-K210 HydrophobicContact CE1-CD 4.18Å; F206-K210 HydrophobicContact CZ-CD 4.03Å; F206-K210 VanDerWaalsContact O-CB 3.26Å; F206-K210 WeakPolarHBondContact O-CB 3.42Å; F206-K210 PolarHBondContact O-N 3.42Å; F206-L240 HydrophobicContact CD2-CD2 3.9Å; F206-L240 HydrophobicContact CE2-CD2 3.85Å; F206-L240 WeakPolarHBondContact CE2-O 3Å; F206-A243 HydrophobicContact CD2-CB 3.7Å; F206-A243 HydrophobicContact CE2-CB 4.09Å; F206-A243 HydrophobicContact CG-CB 4.31Å; F206-A244 HydrophobicContact CE2-CB 4.23Å; F206-A244 HydrophobicContact CZ-CB 3.82Å
207L84.8Confident83.2Confident73 Ų7350.3 Ų50.338%0.38224%0.244SC..Hα-helixtrans-63.8-40.5179.4-74.4172.2000112.1R203 Q204 L205 Q211R203-L207 VanDerWaalsContact NH1-CG 3.3Å; R203-L207 PolarHBondContact O-N 3.31Å; R203-L207 VanDerWaalsContact O-N 3.1Å; Q204-L207 PolarHBondContact O-N 3.29Å; L205-L207 VanDerWaalsContact C-N 3.31Å; L205-L207 PolarHBondContact O-N 2.96Å; L207-Q211 VanDerWaalsContact O-CG 3.31Å; L207-Q211 WeakPolarHBondContact O-CG 3.28Å; L207-Q211 PolarHBondContact O-N 3.33Å; L207-Q211 VanDerWaalsContact O-N 3.11Å
208Q82.8Confident83.3Confident56 Ų5649.2 Ų49.226%0.26224%0.239SC..Hα-helixtrans-67.2-44.2177.5-71.1179.3-17.100111.9Q204 L205 F206 Q211 E212Q204-Q208 WeakPolarHBondContact O-CG 3.42Å; Q204-Q208 PolarHBondContact O-N 3.17Å; Q204-Q208 VanDerWaalsContact O-N 3.14Å; L205-Q208 PolarHBondContact O-N 3.16Å; F206-Q208 VanDerWaalsContact C-N 3.35Å; F206-Q208 PolarHBondContact O-N 3.13Å; Q208-Q211 PolarHBondContact O-N 3.45Å; Q208-E212 PolarHBondContact O-N 3.41Å
209V84.6Confident83.3Confident0 Ų049.8 Ų49.80%024%0.242CC..Hα-helixtrans-65.3-44.1176.6175.80000110.4L195 V199 L205 F206 Q211 E212 V213 L240L195-V209 HydrophobicContact CD2-CG1 4.37Å; L195-V209 HydrophobicContact CD2-CG2 4.11Å; V199-V209 HydrophobicContact CG2-CB 4.01Å; V199-V209 HydrophobicContact CG2-CG1 3.81Å; V199-V209 HydrophobicContact CG2-CG2 4.27Å; L205-V209 WeakPolarHBondContact O-CB 3.5Å; L205-V209 VanDerWaalsContact O-CG2 3.31Å; L205-V209 WeakPolarHBondContact O-CG2 3.49Å; L205-V209 PolarHBondContact O-N 3.26Å; F206-V209 PolarHBondContact O-N 2.94Å; V209-Q211 VanDerWaalsContact C-N 3.29Å; V209-Q211 PolarHBondContact O-N 2.82Å; V209-E212 PolarHBondContact O-N 3.49Å; V209-V213 HydrophobicContact CG1-CB 4.35Å; V209-V213 HydrophobicContact CG1-CG2 3.58Å; V209-V213 VanDerWaalsContact O-CB 3.25Å; V209-V213 WeakPolarHBondContact O-CB 3.32Å; V209-V213 WeakPolarHBondContact O-CG2 3.34Å; V209-V213 PolarHBondContact O-N 2.96Å; V209-L240 HydrophobicContact CG1-CD2 4.39Å
210K83.9Confident83.3Confident44 Ų4452 Ų5219%0.19126%0.26CS..Hα-helixtrans-59-38177-178.7179.9169.5175.50112.3F206 D248 E251F206-K210 HydrophobicContact CE1-CD 4.18Å; F206-K210 HydrophobicContact CZ-CD 4.03Å; F206-K210 VanDerWaalsContact O-CB 3.26Å; F206-K210 WeakPolarHBondContact O-CB 3.42Å; F206-K210 PolarHBondContact O-N 3.42Å; K210-D248 VanDerWaalsContact NZ-CG 3.28Å; K210-D248 IonicContact NZ-OD1 2.72Å; K210-D248 PolarHBondContact NZ-OD1 2.79Å; K210-E251 IonicContact NZ-OE2 2.75Å; K210-E251 PolarHBondContact NZ-OE2 2.9Å; K210-E251 VanDerWaalsContact NZ-OE2 3.09Å
211Q82.8Confident83.3Confident155 Ų15550.3 Ų50.372%0.72425%0.251SS*.Hα-helixtrans-67.2-35.5-179.7-79176.96.200113.1L207 Q208 V209L207-Q211 VanDerWaalsContact O-CG 3.31Å; L207-Q211 WeakPolarHBondContact O-CG 3.28Å; L207-Q211 PolarHBondContact O-N 3.33Å; L207-Q211 VanDerWaalsContact O-N 3.11Å; Q208-Q211 PolarHBondContact O-N 3.45Å; V209-Q211 VanDerWaalsContact C-N 3.29Å; V209-Q211 PolarHBondContact O-N 2.82Å
212E79.7Confident83.3Confident67 Ų6747.5 Ų47.531%0.31323%0.231SC..Hα-helixtrans-99.3-31.2-173.8-60.8-78.6169.800112.7K169 L172 Q208 V209 T214K169-E212 WeakPolarHBondContact CE-OE1 3.21Å; K169-E212 IonicContact NZ-OE1 2.64Å; L172-E212 HydrophobicContact CD1-CB 3.38Å; L172-E212 HydrophobicContact CD1-CG 3.9Å; Q208-E212 PolarHBondContact O-N 3.41Å; V209-E212 PolarHBondContact O-N 3.49Å; E212-T214 PolarHBondContact O-N 2.92Å
213V80.7Confident83.4Confident3 Ų352 Ų522%0.01825%0.251CS..SBendtrans-79.496.5173.21790000109.2L172 F177 V209 L218L172-V213 HydrophobicContact CD2-CG2 3.23Å; F177-V213 HydrophobicContact CD1-CB 4.45Å; F177-V213 HydrophobicContact CD1-CG1 3.82Å; F177-V213 HydrophobicContact CD1-CG2 4.37Å; F177-V213 HydrophobicContact CD2-CG2 4.25Å; F177-V213 HydrophobicContact CE1-CG1 3.64Å; F177-V213 HydrophobicContact CG-CG1 4.44Å; F177-V213 HydrophobicContact CG-CG2 4.2Å; F177-V213 HydrophobicContact CZ-CG1 4.13Å; V209-V213 HydrophobicContact CG1-CB 4.35Å; V209-V213 HydrophobicContact CG1-CG2 3.58Å; V209-V213 VanDerWaalsContact O-CB 3.25Å; V209-V213 WeakPolarHBondContact O-CB 3.32Å; V209-V213 WeakPolarHBondContact O-CG2 3.34Å; V209-V213 PolarHBondContact O-N 2.96Å; V213-L218 HydrophobicContact CG1-CB 4.38Å
214T82.2Confident83.4Confident63 Ų6350.1 Ų50.139%0.38725%0.25SC..  trans-70.6133.5169.660.30000110.1E212 E216 R217 L218E212-T214 PolarHBondContact O-N 2.92Å; T214-E216 PolarHBondContact O-N 2.75Å; T214-E216 VanDerWaalsContact O-N 3.1Å; T214-R217 PolarHBondContact O-N 2.79Å; T214-R217 WeakPolarHBondContact OG1-CG 3.47Å; T214-L218 PolarHBondContact O-N 2.96Å
215M82.1Confident83.2Confident25 Ų2549.3 Ų49.312%0.12326%0.263CS..Hα-helixtrans-57.1-27.4176.4-67.9-70.1143.700112.3L218 V219 L237 L240 M252 F255M215-L218 PolarHBondContact O-N 3.35Å; M215-L218 HydrophobicContact SD-CD2 4.33Å; M215-V219 VanDerWaalsContact O-CG2 3.27Å; M215-V219 WeakPolarHBondContact O-CG2 3.4Å; M215-V219 PolarHBondContact O-N 2.95Å; M215-L237 HydrophobicContact SD-CD1 4.38Å; M215-L240 HydrophobicContact CE-CD1 4.02Å; M215-M252 HydrophobicContact CE-CE 3.5Å; M215-M252 VanDerWaalsContact CE-CE 3.5Å; M215-M252 HydrophobicContact CE-CG 4.02Å; M215-M252 HydrophobicContact CE-SD 4.17Å; M215-M252 HydrophobicContact SD-CE 4.21Å; M215-M252 HydrophobicContact SD-CG 4.49Å; M215-F255 HydrophobicContact CB-CD1 3.3Å; M215-F255 HydrophobicContact CB-CD2 4.41Å; M215-F255 HydrophobicContact CB-CE1 3.23Å; M215-F255 HydrophobicContact CB-CE2 4.34Å; M215-F255 HydrophobicContact CB-CG 3.93Å; M215-F255 HydrophobicContact CB-CZ 3.78Å; M215-F255 HydrophobicContact CG-CD1 4.08Å; M215-F255 HydrophobicContact CG-CE1 4.43Å; M215-F255 HydrophobicContact CG-CG 4.47Å
216E84.1Confident83.3Confident109 Ų10951.4 Ų51.451%0.50927%0.274SS..Hα-helixtrans-60.1-45.3173.3-73.9-170.615600112.7T214 A220 F255 K259T214-E216 PolarHBondContact O-N 2.75Å; T214-E216 VanDerWaalsContact O-N 3.1Å; E216-A220 PolarHBondContact O-N 3.46Å; E216-A220 VanDerWaalsContact O-N 3.1Å; E216-F255 HydrophobicContact CB-CZ 4.24Å; E216-F255 HydrophobicContact CG-CE2 3.75Å; E216-F255 HydrophobicContact CG-CZ 3.36Å; E216-K259 WeakPolarHBondContact OE1-CE 3.08Å; E216-K259 IonicContact OE1-NZ 3.23Å; E216-K259 PolarHBondContact OE1-NZ 3.36Å
217R83.4Confident83.2Confident90 Ų9054.2 Ų54.234%0.3429%0.287SS..Hα-helixtrans-72.4-37.1-179.9-71.7-179.1176.2177.6-14.5111.4F177 V178 T214 V219 A220 H221F177-R217 VanDerWaalsContact C-NH1 3.26Å; F177-R217 HydrophobicContact CD1-CB 3.68Å; F177-R217 HydrophobicContact CE1-CB 4.18Å; F177-R217 WeakPolarHBondContact O-CD 3.38Å; F177-R217 PolarHBondContact O-NH1 3.17Å; V178-R217 PolarHBondContact O-NH1 2.88Å; V178-R217 PolarHBondContact O-NH2 3.28Å; T214-R217 PolarHBondContact O-N 2.79Å; T214-R217 WeakPolarHBondContact OG1-CG 3.47Å; R217-V219 VanDerWaalsContact C-N 3.33Å; R217-V219 PolarHBondContact O-N 3.45Å; R217-A220 WeakPolarHBondContact O-CA 3.47Å; R217-A220 WeakPolarHBondContact O-CB 3.36Å; R217-A220 PolarHBondContact O-N 2.96Å; R217-A220 VanDerWaalsContact O-N 3.07Å; R217-H221 PolarHBondContact O-CD2 3.42Å; R217-H221 PolarHBondContact O-N 3.12Å
218L84.6Confident83.1Confident1 Ų156 Ų561%0.00529%0.293CS..Hα-helixtrans-61.7-42.5175.5-17460.4000111.8F177 V213 T214 M215 A220 H221 L222 A233 L236 L237 L240F177-L218 HydrophobicContact CE1-CB 4.03Å; F177-L218 HydrophobicContact CE1-CD1 4.17Å; F177-L218 HydrophobicContact CZ-CD1 3.91Å; V213-L218 HydrophobicContact CG1-CB 4.38Å; T214-L218 PolarHBondContact O-N 2.96Å; M215-L218 PolarHBondContact O-N 3.35Å; M215-L218 HydrophobicContact SD-CD2 4.33Å; L218-A220 VanDerWaalsContact C-N 3.3Å; L218-A220 PolarHBondContact O-N 3.43Å; L218-H221 PolarHBondContact O-N 3.27Å; L218-L222 PolarHBondContact O-N 3.26Å; L218-L222 VanDerWaalsContact O-N 3.16Å; L218-A233 HydrophobicContact CD1-CB 4.31Å; L218-L236 HydrophobicContact CD1-CD2 4.05Å; L218-L236 HydrophobicContact CD1-CG 4.39Å; L218-L237 HydrophobicContact CD2-CB 3.94Å; L218-L237 HydrophobicContact CD2-CD1 3.71Å; L218-L237 HydrophobicContact CD2-CG 4.41Å; L218-L240 HydrophobicContact CD2-CD1 4.04Å
219V85.2Confident83.2Confident12 Ų1253.5 Ų53.57%0.07328%0.282CS..Hα-helixtrans-63.7-36.3173.2172.80000111.5M215 R217 H221 L222 Q223 F255 L256 V261M215-V219 VanDerWaalsContact O-CG2 3.27Å; M215-V219 WeakPolarHBondContact O-CG2 3.4Å; M215-V219 PolarHBondContact O-N 2.95Å; R217-V219 VanDerWaalsContact C-N 3.33Å; R217-V219 PolarHBondContact O-N 3.45Å; V219-H221 VanDerWaalsContact C-N 3.3Å; V219-H221 PolarHBondContact O-N 2.81Å; V219-L222 WeakPolarHBondContact O-CB 3.41Å; V219-L222 PolarHBondContact O-N 3.44Å; V219-Q223 WeakPolarHBondContact O-CG 3.24Å; V219-Q223 PolarHBondContact O-N 2.84Å; V219-F255 HydrophobicContact CG2-CE1 4.39Å; V219-L256 HydrophobicContact CG2-CD2 4.35Å; V219-V261 HydrophobicContact CB-CG2 4.46Å; V219-V261 HydrophobicContact CG1-CG2 3.99Å; V219-V261 HydrophobicContact CG2-CG2 3.52Å
220A86Confident83.4Confident49 Ų4954 Ų5441%0.40528%0.284SS..Hα-helixtrans-62.9-35.217500000112.6E216 R217 L218 Q223E216-A220 PolarHBondContact O-N 3.46Å; E216-A220 VanDerWaalsContact O-N 3.1Å; R217-A220 WeakPolarHBondContact O-CA 3.47Å; R217-A220 WeakPolarHBondContact O-CB 3.36Å; R217-A220 PolarHBondContact O-N 2.96Å; R217-A220 VanDerWaalsContact O-N 3.07Å; L218-A220 VanDerWaalsContact C-N 3.3Å; L218-A220 PolarHBondContact O-N 3.43Å; A220-Q223 WeakPolarHBondContact O-CB 3.25Å; A220-Q223 PolarHBondContact O-N 2.92Å
221H83.4Confident83.6Confident17 Ų1752.1 Ų52.18%0.07928%0.277CS..Hα-helixtrans-69.5-34.7173.7-73.6-70.8000113.1A175 F177 R217 L218 V219 Q223 V224 I229 A233A175-H221 PolarHBondContact O-CE1 2.92Å; A175-H221 PolarHBondContact O-NE2 3.43Å; F177-H221 AromaticContact CE1-CD2 3.77Å; F177-H221 AromaticContact CZ-CD2 3.85Å; R217-H221 PolarHBondContact O-CD2 3.42Å; R217-H221 PolarHBondContact O-N 3.12Å; L218-H221 PolarHBondContact O-N 3.27Å; V219-H221 VanDerWaalsContact C-N 3.3Å; V219-H221 PolarHBondContact O-N 2.81Å; H221-Q223 PolarHBondContact O-N 3.45Å; H221-V224 PolarHBondContact O-N 3.16Å; H221-I229 HydrophobicContact CB-CG2 4.44Å; H221-A233 HydrophobicContact CB-CB 3.84Å
222L83.3Confident83.7Confident1 Ų147.3 Ų47.31%0.00525%0.253CS..Hα-helixtrans-64.2-29.5170.6-67.6172000111.7L218 V219 V224 Q230 A233 M234 L237 V261 Y264L218-L222 PolarHBondContact O-N 3.26Å; L218-L222 VanDerWaalsContact O-N 3.16Å; V219-L222 WeakPolarHBondContact O-CB 3.41Å; V219-L222 PolarHBondContact O-N 3.44Å; L222-V224 VanDerWaalsContact C-N 3.27Å; L222-V224 PolarHBondContact O-N 2.83Å; L222-Q230 WeakPolarHBondContact O-CG 3.34Å; L222-Q230 PolarHBondContact O-NE2 3.38Å; L222-A233 HydrophobicContact CD2-CB 3.91Å; L222-A233 HydrophobicContact CG-CB 4.26Å; L222-M234 HydrophobicContact CD2-CB 3.92Å; L222-M234 HydrophobicContact CD2-SD 4.4Å; L222-L237 HydrophobicContact CD1-CD2 4.17Å; L222-V261 HydrophobicContact CD1-CG1 4.37Å; L222-Y264 HydrophobicContact CB-CE1 4.27Å; L222-Y264 WeakPolarHBondContact O-CE1 3.46Å; L222-Y264 VanDerWaalsContact O-CZ 3.26Å; L222-Y264 PolarHBondContact O-OH 3.26Å
223Q83.8Confident84.2Confident110 Ų11044.1 Ų44.151%0.51424%0.238SC..THydrogen-bonded Turntrans-75.8-5.7179.6-72177.7-1400115.4V219 A220 H221 Y264V219-Q223 WeakPolarHBondContact O-CG 3.24Å; V219-Q223 PolarHBondContact O-N 2.84Å; A220-Q223 WeakPolarHBondContact O-CB 3.25Å; A220-Q223 PolarHBondContact O-N 2.92Å; H221-Q223 PolarHBondContact O-N 3.45Å; Q223-Y264 VanDerWaalsContact CA-CZ 3.44Å; Q223-Y264 VanDerWaalsContact CA-OH 3.27Å; Q223-Y264 WeakPolarHBondContact CA-OH 3.19Å; Q223-Y264 HydrophobicContact CB-CE2 4.14Å; Q223-Y264 HydrophobicContact CG-CD1 4.36Å; Q223-Y264 HydrophobicContact CG-CD2 3.8Å; Q223-Y264 HydrophobicContact CG-CE1 4.2Å; Q223-Y264 HydrophobicContact CG-CE2 3.61Å; Q223-Y264 HydrophobicContact CG-CG 4.22Å
224V83.4Confident84.6Confident54 Ų5444 Ų4433%0.32724%0.237SC..SBendtrans-76.7142-179.8-176.80000110.4H221 L222 N226 I229 Q230H221-V224 PolarHBondContact O-N 3.16Å; L222-V224 VanDerWaalsContact C-N 3.27Å; L222-V224 PolarHBondContact O-N 2.83Å; V224-N226 HydrophobicContact CG1-CB 4.11Å; V224-N226 PolarHBondContact O-N 3.26Å; V224-N226 VanDerWaalsContact O-N 3.13Å; V224-I229 HydrophobicContact CG1-CD1 4.47Å; V224-Q230 VanDerWaalsContact O-CG 3.24Å; V224-Q230 WeakPolarHBondContact O-CG 3.43Å; V224-Q230 PolarHBondContact O-NE2 3.18Å
225A79Confident84.9Confident100 Ų10041.1 Ų41.183%0.82622%0.22SC*.SBendtrans-67.4-1018000000115Q227A225-Q227 PolarHBondContact O-N 2.84Å
226N84.1Confident85.2Confident49 Ų4940 Ų4026%0.26222%0.215SC..  trans-85.6112.3-177.4-175.4-42.9000110.6V185 V224 Q228 I229 Q230V185-N226 WeakPolarHBondContact CG1-ND2 3.39Å; V224-N226 HydrophobicContact CG1-CB 4.11Å; V224-N226 PolarHBondContact O-N 3.26Å; V224-N226 VanDerWaalsContact O-N 3.13Å; N226-Q228 VanDerWaalsContact C-N 3.29Å; N226-Q228 PolarHBondContact O-N 3.37Å; N226-Q228 WeakPolarHBondContact OD1-CB 3.29Å; N226-Q228 PolarHBondContact OD1-N 2.85Å; N226-I229 HydrophobicContact CB-CB 4.35Å; N226-I229 HydrophobicContact CB-CD1 4.07Å; N226-I229 HydrophobicContact CB-CG1 4.27Å; N226-I229 PolarHBondContact O-N 2.91Å; N226-I229 PolarHBondContact OD1-N 3.42Å; N226-Q230 WeakPolarHBondContact O-CG 3.16Å; N226-Q230 PolarHBondContact O-N 2.97Å
227Q82.8Confident85.5Confident60 Ų6034.9 Ų34.928%0.2819%0.191SC..Hα-helixtrans-60.4-33-176.9-67.3-169.4-29.100114.3A225 Q230 T231A225-Q227 PolarHBondContact O-N 2.84Å; Q227-Q230 PolarHBondContact O-N 3.47Å; Q227-T231 WeakPolarHBondContact O-CB 3.25Å; Q227-T231 PolarHBondContact O-N 3.45Å; Q227-T231 PolarHBondContact O-OG1 3.08Å
228Q83.4Confident85.8Confident111 Ų11130.9 Ų30.952%0.51918%0.176SC..Hα-helixtrans-69-43.5178.9-66177.9-30.600110.6N226 Q230 T231 K232N226-Q228 VanDerWaalsContact C-N 3.29Å; N226-Q228 PolarHBondContact O-N 3.37Å; N226-Q228 WeakPolarHBondContact OD1-CB 3.29Å; N226-Q228 PolarHBondContact OD1-N 2.85Å; Q228-Q230 VanDerWaalsContact C-N 3.34Å; Q228-Q230 PolarHBondContact O-N 3.07Å; Q228-T231 PolarHBondContact O-N 2.81Å; Q228-K232 WeakPolarHBondContact O-CG 3.34Å; Q228-K232 PolarHBondContact O-N 3.3Å
229I85.4Confident85.9Confident3 Ų330.9 Ų30.92%0.01518%0.176CC..Hα-helixtrans-63.1-43.2174.2-64.8173.9000110.3V185 Q189 L192 H221 V224 N226 T231 K232 A233V185-I229 HydrophobicContact CB-CD1 4.43Å; V185-I229 HydrophobicContact CG1-CD1 3.97Å; V185-I229 HydrophobicContact CG1-CG1 4.19Å; V185-I229 HydrophobicContact CG2-CD1 4.24Å; Q189-I229 HydrophobicContact CG-CG1 4.39Å; L192-I229 HydrophobicContact CD1-CG2 4.37Å; H221-I229 HydrophobicContact CB-CG2 4.44Å; V224-I229 HydrophobicContact CG1-CD1 4.47Å; N226-I229 HydrophobicContact CB-CB 4.35Å; N226-I229 HydrophobicContact CB-CD1 4.07Å; N226-I229 HydrophobicContact CB-CG1 4.27Å; N226-I229 PolarHBondContact O-N 2.91Å; N226-I229 PolarHBondContact OD1-N 3.42Å; I229-T231 VanDerWaalsContact C-N 3.29Å; I229-T231 PolarHBondContact O-N 2.94Å; I229-K232 PolarHBondContact O-N 3.47Å; I229-A233 VanDerWaalsContact O-CB 3.23Å; I229-A233 WeakPolarHBondContact O-CB 3.38Å; I229-A233 PolarHBondContact O-N 3.25Å
230Q87.7Confident86.1Confident11 Ų1130.3 Ų30.35%0.05117%0.173CC..Hα-helixtrans-57.9-43.4176.4-69.9179.8-42.200111.5L222 V224 N226 Q227 Q228 A233 M234 Y264 M280L222-Q230 WeakPolarHBondContact O-CG 3.34Å; L222-Q230 PolarHBondContact O-NE2 3.38Å; V224-Q230 VanDerWaalsContact O-CG 3.24Å; V224-Q230 WeakPolarHBondContact O-CG 3.43Å; V224-Q230 PolarHBondContact O-NE2 3.18Å; N226-Q230 WeakPolarHBondContact O-CG 3.16Å; N226-Q230 PolarHBondContact O-N 2.97Å; Q227-Q230 PolarHBondContact O-N 3.47Å; Q228-Q230 VanDerWaalsContact C-N 3.34Å; Q228-Q230 PolarHBondContact O-N 3.07Å; Q230-A233 PolarHBondContact O-N 3.49Å; Q230-M234 WeakPolarHBondContact O-CB 3.41Å; Q230-M234 PolarHBondContact O-N 2.86Å; Q230-Y264 PolarHBondContact NE2-OH 3.21Å; Q230-Y264 VanDerWaalsContact NE2-OH 3.15Å; Q230-M280 HydrophobicContact CB-CE 3.93Å
231T87.4Confident86.2Confident5 Ų528 Ų283%0.03115%0.154CC..Hα-helixtrans-63.9-47.2179.7-55.20000111.2Q227 Q228 I229 M234 A235 E279Q227-T231 WeakPolarHBondContact O-CB 3.25Å; Q227-T231 PolarHBondContact O-N 3.45Å; Q227-T231 PolarHBondContact O-OG1 3.08Å; Q228-T231 PolarHBondContact O-N 2.81Å; I229-T231 VanDerWaalsContact C-N 3.29Å; I229-T231 PolarHBondContact O-N 2.94Å; T231-M234 PolarHBondContact O-N 3.39Å; T231-A235 WeakPolarHBondContact O-CB 3.47Å; T231-A235 PolarHBondContact O-N 2.57Å; T231-E279 HydrophobicContact CG2-CB 3.88Å
232K86.6Confident86.3Confident53 Ų5331.5 Ų31.523%0.2317%0.17CC..Hα-helixtrans-68.4-37.4177.6-59.7-44.2-162.5156.40113.3L192 D193 Q228 I229 M234 A235 L236L192-K232 HydrophobicContact CB-CB 3.87Å; L192-K232 HydrophobicContact CD1-CB 3.94Å; D193-K232 WeakPolarHBondContact OD1-CD 3.43Å; D193-K232 WeakPolarHBondContact OD1-CE 3.37Å; D193-K232 IonicContact OD1-NZ 3.53Å; D193-K232 PolarHBondContact OD1-NZ 3.22Å; D193-K232 WeakPolarHBondContact OD2-CE 3.31Å; D193-K232 IonicContact OD2-NZ 2.78Å; D193-K232 PolarHBondContact OD2-NZ 3.02Å; Q228-K232 WeakPolarHBondContact O-CG 3.34Å; Q228-K232 PolarHBondContact O-N 3.3Å; I229-K232 PolarHBondContact O-N 3.47Å; K232-M234 VanDerWaalsContact C-N 3.32Å; K232-A235 PolarHBondContact O-N 3.05Å; K232-L236 PolarHBondContact O-N 3.39Å
233A89.4Confident86.4Confident0 Ų033 Ų330%018%0.183CC..Hα-helixtrans-66.1-37.5174.100000111.7L192 L218 H221 L222 I229 Q230 L237L192-A233 HydrophobicContact CD1-CB 4.46Å; L218-A233 HydrophobicContact CD1-CB 4.31Å; H221-A233 HydrophobicContact CB-CB 3.84Å; L222-A233 HydrophobicContact CD2-CB 3.91Å; L222-A233 HydrophobicContact CG-CB 4.26Å; I229-A233 VanDerWaalsContact O-CB 3.23Å; I229-A233 WeakPolarHBondContact O-CB 3.38Å; I229-A233 PolarHBondContact O-N 3.25Å; Q230-A233 PolarHBondContact O-N 3.49Å; A233-L237 PolarHBondContact O-N 3.18Å
234M89.7Confident86.6Confident0 Ų027.9 Ų27.90%016%0.159CC..Hα-helixtrans-68-41174.5-172.568.5178.200111.3L222 Q230 T231 K232 L237 M238 M280 H283 L284 L287L222-M234 HydrophobicContact CD2-CB 3.92Å; L222-M234 HydrophobicContact CD2-SD 4.4Å; Q230-M234 WeakPolarHBondContact O-CB 3.41Å; Q230-M234 PolarHBondContact O-N 2.86Å; T231-M234 PolarHBondContact O-N 3.39Å; K232-M234 VanDerWaalsContact C-N 3.32Å; M234-L237 WeakPolarHBondContact O-CB 3.4Å; M234-L237 PolarHBondContact O-N 3.29Å; M234-L237 HydrophobicContact SD-CD2 4.19Å; M234-M238 HydrophobicContact CE-CE 3.55Å; M234-M238 HydrophobicContact CE-SD 4Å; M234-M238 WeakPolarHBondContact O-CG 3.32Å; M234-M238 PolarHBondContact O-N 3.36Å; M234-M238 HydrophobicContact SD-CE 3.89Å; M234-M280 HydrophobicContact CB-CE 4.29Å; M234-M280 HydrophobicContact CB-SD 4.25Å; M234-M280 HydrophobicContact CG-SD 4.09Å; M234-H283 HydrophobicContact CB-CB 4.47Å; M234-H283 HydrophobicContact CE-CB 4.22Å; M234-H283 HydrophobicContact CG-CB 3.57Å; M234-L284 HydrophobicContact CE-CD2 4.13Å; M234-L287 HydrophobicContact CE-CB 3.69Å; M234-L287 HydrophobicContact CE-CD2 3.61Å; M234-L287 HydrophobicContact CE-CG 4.23Å
235A87.8Confident86.6Confident4 Ų430.7 Ų30.73%0.03317%0.169CC..Hα-helixtrans-58.7-47.6174.400000111.4E196 T231 K232 L237 M238 A239E196-A235 VanDerWaalsContact OE2-CB 3.24Å; E196-A235 WeakPolarHBondContact OE2-CB 3.44Å; T231-A235 WeakPolarHBondContact O-CB 3.47Å; T231-A235 PolarHBondContact O-N 2.57Å; K232-A235 PolarHBondContact O-N 3.05Å; A235-L237 PolarHBondContact O-N 3.27Å; A235-M238 PolarHBondContact O-N 3.47Å; A235-M238 VanDerWaalsContact O-N 3.13Å; A235-A239 WeakPolarHBondContact O-CB 3.47Å; A235-A239 PolarHBondContact O-N 3.27Å
236L89.3Confident86.7Confident0 Ų030.2 Ų30.20%015%0.152CC..Hα-helixtrans-60.4-41.4174.1-18060.5000112.4F177 L192 L195 V199 L218 K232 M238 A239 L240F177-L236 HydrophobicContact CE2-CD2 4.11Å; F177-L236 HydrophobicContact CZ-CD2 3.98Å; L192-L236 HydrophobicContact CD2-CD2 3.75Å; L195-L236 HydrophobicContact CB-CD1 3.93Å; L195-L236 HydrophobicContact CB-CD2 4.19Å; L195-L236 HydrophobicContact CD1-CD2 4.28Å; V199-L236 HydrophobicContact CG2-CD1 4.26Å; L218-L236 HydrophobicContact CD1-CD2 4.05Å; L218-L236 HydrophobicContact CD1-CG 4.39Å; K232-L236 PolarHBondContact O-N 3.39Å; L236-M238 VanDerWaalsContact C-N 3.33Å; L236-M238 PolarHBondContact O-N 3.48Å; L236-A239 PolarHBondContact O-N 3.31Å; L236-L240 HydrophobicContact CD1-CD1 4.38Å; L236-L240 HydrophobicContact CD1-CG 4.33Å; L236-L240 HydrophobicContact CG-CD1 4.21Å; L236-L240 VanDerWaalsContact O-CG 3.28Å; L236-L240 WeakPolarHBondContact O-CG 3.21Å; L236-L240 PolarHBondContact O-N 3.38Å
237L90.6Very high86.7Confident2 Ų231.4 Ų31.41%0.0117%0.169CC..Hα-helixtrans-60.9-42.9174.6-178.965.5000111.3M215 L218 L222 A233 M234 A235 L240 L241 L256M215-L237 HydrophobicContact SD-CD1 4.38Å; L218-L237 HydrophobicContact CD2-CB 3.94Å; L218-L237 HydrophobicContact CD2-CD1 3.71Å; L218-L237 HydrophobicContact CD2-CG 4.41Å; L222-L237 HydrophobicContact CD1-CD2 4.17Å; A233-L237 PolarHBondContact O-N 3.18Å; M234-L237 WeakPolarHBondContact O-CB 3.4Å; M234-L237 PolarHBondContact O-N 3.29Å; M234-L237 HydrophobicContact SD-CD2 4.19Å; A235-L237 PolarHBondContact O-N 3.27Å; L237-L240 PolarHBondContact O-N 2.88Å; L237-L241 HydrophobicContact CD1-CD1 4.46Å; L237-L241 HydrophobicContact CG-CD1 4.23Å; L237-L241 WeakPolarHBondContact O-CG 3.39Å; L237-L241 PolarHBondContact O-N 2.59Å; L237-L256 HydrophobicContact CD1-CD1 4.35Å; L237-L256 HydrophobicContact CD1-CD2 4.29Å; L237-L256 HydrophobicContact CD2-CD2 4.46Å
238M89.6Confident86.7Confident6 Ų630.2 Ų30.23%0.0317%0.165CC..Hα-helixtrans-64.8-45.8177.9-67.4-45.290.100111M234 A235 L236 L240 L241 Q242 H283 V286 L287M234-M238 HydrophobicContact CE-CE 3.55Å; M234-M238 HydrophobicContact CE-SD 4Å; M234-M238 WeakPolarHBondContact O-CG 3.32Å; M234-M238 PolarHBondContact O-N 3.36Å; M234-M238 HydrophobicContact SD-CE 3.89Å; A235-M238 PolarHBondContact O-N 3.47Å; A235-M238 VanDerWaalsContact O-N 3.13Å; L236-M238 VanDerWaalsContact C-N 3.33Å; L236-M238 PolarHBondContact O-N 3.48Å; M238-L240 VanDerWaalsContact C-N 3.32Å; M238-L240 PolarHBondContact O-N 2.66Å; M238-L241 HydrophobicContact CE-CD1 3.96Å; M238-L241 PolarHBondContact O-N 3Å; M238-L241 VanDerWaalsContact O-N 3.16Å; M238-Q242 WeakPolarHBondContact O-CB 3.09Å; M238-Q242 WeakPolarHBondContact O-CG 3.13Å; M238-Q242 PolarHBondContact O-N 3.49Å; M238-H283 HydrophobicContact CG-CB 4.2Å; M238-V286 HydrophobicContact CB-CG1 4.39Å; M238-V286 HydrophobicContact CG-CB 4.47Å; M238-V286 HydrophobicContact CG-CG1 4.21Å; M238-V286 HydrophobicContact SD-CB 4.33Å; M238-V286 HydrophobicContact SD-CG1 4.06Å; M238-L287 HydrophobicContact CE-CB 3.94Å; M238-L287 HydrophobicContact CE-CD1 3.94Å; M238-L287 HydrophobicContact CE-CD2 4.49Å; M238-L287 HydrophobicContact CE-CG 4.31Å; M238-L287 HydrophobicContact SD-CB 3.58Å; M238-L287 VanDerWaalsContact SD-CB 3.58Å; M238-L287 HydrophobicContact SD-CD1 4.37Å; M238-L287 HydrophobicContact SD-CG 4.5Å
239A86.9Confident86.9Confident1 Ų127.2 Ų27.21%0.00815%0.149CC..Hα-helixtrans-56.6-45.1176.500000111.8E196 V199 L200 A235 L236 Q242 A243E196-A239 HydrophobicContact CG-CB 3.75Å; V199-A239 HydrophobicContact CB-CB 4.45Å; V199-A239 HydrophobicContact CG1-CB 3.94Å; L200-A239 HydrophobicContact CD1-CB 3.82Å; L200-A239 HydrophobicContact CD2-CB 4.07Å; L200-A239 HydrophobicContact CG-CB 3.85Å; A235-A239 WeakPolarHBondContact O-CB 3.47Å; A235-A239 PolarHBondContact O-N 3.27Å; L236-A239 PolarHBondContact O-N 3.31Å; A239-Q242 PolarHBondContact O-N 2.92Å; A239-A243 VanDerWaalsContact O-CB 3.25Å; A239-A243 WeakPolarHBondContact O-CB 3.31Å; A239-A243 PolarHBondContact O-N 3.49Å
240L88.8Confident86.9Confident1 Ų132 Ų321%0.00517%0.171CC..Hα-helixtrans-63.7-42.8176.5-70.7168.8000112V199 F206 V209 M215 L218 L236 L237 M238 A244 M252V199-L240 HydrophobicContact CG1-CD2 4.14Å; V199-L240 HydrophobicContact CG2-CD2 3.71Å; V199-L240 HydrophobicContact CG2-CG 4.41Å; F206-L240 HydrophobicContact CD2-CD2 3.9Å; F206-L240 HydrophobicContact CE2-CD2 3.85Å; F206-L240 WeakPolarHBondContact CE2-O 3Å; V209-L240 HydrophobicContact CG1-CD2 4.39Å; M215-L240 HydrophobicContact CE-CD1 4.02Å; L218-L240 HydrophobicContact CD2-CD1 4.04Å; L236-L240 HydrophobicContact CD1-CD1 4.38Å; L236-L240 HydrophobicContact CD1-CG 4.33Å; L236-L240 HydrophobicContact CG-CD1 4.21Å; L236-L240 VanDerWaalsContact O-CG 3.28Å; L236-L240 WeakPolarHBondContact O-CG 3.21Å; L236-L240 PolarHBondContact O-N 3.38Å; L237-L240 PolarHBondContact O-N 2.88Å; M238-L240 VanDerWaalsContact C-N 3.32Å; M238-L240 PolarHBondContact O-N 2.66Å; L240-A244 WeakPolarHBondContact O-CB 3.32Å; L240-A244 PolarHBondContact O-N 2.99Å; L240-M252 HydrophobicContact CB-CE 3.59Å
241L87.9Confident86.8Confident0 Ų037.4 Ų37.40%020%0.196CC..Hα-helixtrans-68.4-35.2179.5-73.8172.7000112.8L237 M238 R249 M252 F253 L256 L287 V290L237-L241 HydrophobicContact CD1-CD1 4.46Å; L237-L241 HydrophobicContact CG-CD1 4.23Å; L237-L241 WeakPolarHBondContact O-CG 3.39Å; L237-L241 PolarHBondContact O-N 2.59Å; M238-L241 HydrophobicContact CE-CD1 3.96Å; M238-L241 PolarHBondContact O-N 3Å; M238-L241 VanDerWaalsContact O-N 3.16Å; L241-R249 HydrophobicContact CD2-CG 4.15Å; L241-R249 PolarHBondContact O-NE 3.46Å; L241-M252 HydrophobicContact CD2-CB 4.05Å; L241-M252 HydrophobicContact CD2-CE 3.6Å; L241-M252 HydrophobicContact CD2-SD 4.29Å; L241-M252 HydrophobicContact CG-CE 3.88Å; L241-F253 HydrophobicContact CD1-CE1 4.21Å; L241-F253 HydrophobicContact CD2-CD1 4.45Å; L241-F253 HydrophobicContact CD2-CE1 4.1Å; L241-F253 HydrophobicContact CD2-CZ 4.18Å; L241-L256 HydrophobicContact CD1-CD1 4.45Å; L241-L287 HydrophobicContact CD1-CD1 3.89Å; L241-V290 HydrophobicContact CB-CG1 4.35Å
242Q85.9Confident86.8Confident90 Ų9037.3 Ų37.342%0.42120%0.196SC..Hα-helixtrans-73.7-39.9177.3-73.1179.3-17.400112.2M238 A239 V286 V290M238-Q242 WeakPolarHBondContact O-CB 3.09Å; M238-Q242 WeakPolarHBondContact O-CG 3.13Å; M238-Q242 PolarHBondContact O-N 3.49Å; A239-Q242 PolarHBondContact O-N 2.92Å; Q242-V286 VanDerWaalsContact NE2-CG1 3.34Å; Q242-V290 HydrophobicContact CG-CG2 4.5Å
243A85.9Confident86.8Confident33 Ų3335.5 Ų35.527%0.27319%0.188SC..Hα-helixtrans-78-21.4179.100000113.6V199 F206 A239V199-A243 HydrophobicContact CG1-CB 3.82Å; F206-A243 HydrophobicContact CD2-CB 3.7Å; F206-A243 HydrophobicContact CE2-CB 4.09Å; F206-A243 HydrophobicContact CG-CB 4.31Å; A239-A243 VanDerWaalsContact O-CB 3.25Å; A239-A243 WeakPolarHBondContact O-CB 3.31Å; A239-A243 PolarHBondContact O-N 3.49Å
244A86.1Confident86.7Confident3 Ų338.4 Ų38.43%0.02521%0.212CC..SBendtrans-68.5141.6179.500000112.7F206 L240 D248 R249 M252F206-A244 HydrophobicContact CE2-CB 4.23Å; F206-A244 HydrophobicContact CZ-CB 3.82Å; L240-A244 WeakPolarHBondContact O-CB 3.32Å; L240-A244 PolarHBondContact O-N 2.99Å; A244-D248 HydrophobicContact CB-CB 3.98Å; A244-R249 HydrophobicContact CB-CB 4.14Å; A244-R249 PolarHBondContact O-NH2 2.85Å; A244-M252 HydrophobicContact CB-SD 4.09Å
245E85.1Confident86.7Confident112 Ų11240.6 Ų40.652%0.52322%0.222SC..  trans-73.9166.7166.4-73.6171.2-144.600111.2R203 A247 D248 R249R203-E245 IonicContact CZ-OE1 3.93Å; R203-E245 IonicContact NE-OE1 2.72Å; R203-E245 PolarHBondContact NE-OE1 3.07Å; R203-E245 VanDerWaalsContact NE-OE1 3.12Å; R203-E245 VanDerWaalsContact NH2-CD 3.26Å; R203-E245 IonicContact NH2-OE1 2.88Å; R203-E245 PolarHBondContact NH2-OE1 3.34Å; R203-E245 IonicContact NH2-OE2 2.63Å; E245-A247 VanDerWaalsContact C-N 3.3Å; E245-A247 PolarHBondContact O-N 3.3Å; E245-D248 PolarHBondContact O-N 3.47Å; E245-D248 VanDerWaalsContact O-N 3.15Å; E245-R249 VanDerWaalsContact O-CB 3.31Å; E245-R249 WeakPolarHBondContact O-CB 3.5Å; E245-R249 PolarHBondContact O-N 2.88Å
246D80.8Confident86.6Confident90 Ų9041.1 Ų41.148%0.48122%0.224SC..Hα-helixtrans-57.1-38.5-171.9-69.4-27.2000113.9R249 Q250D246-R249 IonicContact OD1-CZ 3.46Å; D246-R249 IonicContact OD1-NH1 2.81Å; D246-R249 PolarHBondContact OD1-NH1 2.97Å; D246-Q250 VanDerWaalsContact O-CG 3.28Å; D246-Q250 WeakPolarHBondContact O-CG 3.43Å; D246-Q250 PolarHBondContact O-N 2.71Å
247A83.4Confident86.5Confident75 Ų7544.5 Ų44.562%0.6224%0.242SC*.Hα-helixtrans-68-46.4177.700000112.3E245 R249 Q250 E251E245-A247 VanDerWaalsContact C-N 3.3Å; E245-A247 PolarHBondContact O-N 3.3Å; A247-R249 VanDerWaalsContact C-N 3.31Å; A247-R249 PolarHBondContact O-N 2.65Å; A247-Q250 PolarHBondContact O-N 3.38Å; A247-E251 PolarHBondContact O-N 2.69Å
248D83.6Confident86.3Confident34 Ų3452.7 Ų52.718%0.18228%0.277CS..Hα-helixtrans-63-40.1176.9-74.8-38.5000111R203 K210 A244 E245 E251 M252R203-D248 IonicContact NH2-OD2 3.48Å; K210-D248 VanDerWaalsContact NZ-CG 3.28Å; K210-D248 IonicContact NZ-OD1 2.72Å; K210-D248 PolarHBondContact NZ-OD1 2.79Å; A244-D248 HydrophobicContact CB-CB 3.98Å; E245-D248 PolarHBondContact O-N 3.47Å; E245-D248 VanDerWaalsContact O-N 3.15Å; D248-E251 PolarHBondContact O-N 3.42Å; D248-M252 WeakPolarHBondContact O-CG 3.36Å; D248-M252 PolarHBondContact O-N 2.94Å; D248-M252 VanDerWaalsContact O-N 3.11Å
249R86.2Confident86.1Confident49 Ų4957 Ų5719%0.18530%0.296CS..Hα-helixtrans-66.8-38.6-180-161.4-173.5-61.6128.14.8111.7L241 A244 E245 D246 A247 M252 F253L241-R249 HydrophobicContact CD2-CG 4.15Å; L241-R249 PolarHBondContact O-NE 3.46Å; A244-R249 HydrophobicContact CB-CB 4.14Å; A244-R249 PolarHBondContact O-NH2 2.85Å; E245-R249 VanDerWaalsContact O-CB 3.31Å; E245-R249 WeakPolarHBondContact O-CB 3.5Å; E245-R249 PolarHBondContact O-N 2.88Å; D246-R249 IonicContact OD1-CZ 3.46Å; D246-R249 IonicContact OD1-NH1 2.81Å; D246-R249 PolarHBondContact OD1-NH1 2.97Å; A247-R249 VanDerWaalsContact C-N 3.31Å; A247-R249 PolarHBondContact O-N 2.65Å; R249-M252 PolarHBondContact O-N 3.05Å; R249-F253 HydrophobicContact CG-CD2 3.91Å; R249-F253 HydrophobicContact CG-CE2 3.57Å; R249-F253 HydrophobicContact CG-CZ 4.36Å; R249-F253 VanDerWaalsContact O-CD2 3.28Å; R249-F253 WeakPolarHBondContact O-CD2 3.32Å; R249-F253 PolarHBondContact O-N 3.3Å
250Q85.4Confident86Confident103 Ų10360.4 Ų60.448%0.48131%0.314SS..Hα-helixtrans-60.4-45.3174.2-80.5176.11400112.2D246 A247 F253 A254 H294D246-Q250 VanDerWaalsContact O-CG 3.28Å; D246-Q250 WeakPolarHBondContact O-CG 3.43Å; D246-Q250 PolarHBondContact O-N 2.71Å; A247-Q250 PolarHBondContact O-N 3.38Å; Q250-F253 PolarHBondContact O-N 2.9Å; Q250-A254 WeakPolarHBondContact O-CB 3.41Å; Q250-A254 PolarHBondContact O-N 2.95Å; Q250-H294 WeakPolarHBondContact CG-CE1 3.49Å
251E86.6Confident85.8Confident124 Ų12460.6 Ų60.658%0.57932%0.315SS*.Hα-helixtrans-60.7-45.8177.1-175-172.4-162.900111.2K210 A247 D248 A254 F255K210-E251 IonicContact NZ-OE2 2.75Å; K210-E251 PolarHBondContact NZ-OE2 2.9Å; K210-E251 VanDerWaalsContact NZ-OE2 3.09Å; A247-E251 PolarHBondContact O-N 2.69Å; D248-E251 PolarHBondContact O-N 3.42Å; E251-A254 PolarHBondContact O-N 3.13Å; E251-F255 PolarHBondContact O-N 3.01Å
252M87.4Confident85.8Confident4 Ų462.3 Ų62.32%0.0232%0.322CS..Hα-helixtrans-61.2-47.2177.1-69.6170.967.300111.8M215 L240 L241 A244 D248 R249 A254 F255 L256M215-M252 HydrophobicContact CE-CE 3.5Å; M215-M252 VanDerWaalsContact CE-CE 3.5Å; M215-M252 HydrophobicContact CE-CG 4.02Å; M215-M252 HydrophobicContact CE-SD 4.17Å; M215-M252 HydrophobicContact SD-CE 4.21Å; M215-M252 HydrophobicContact SD-CG 4.49Å; L240-M252 HydrophobicContact CB-CE 3.59Å; L241-M252 HydrophobicContact CD2-CB 4.05Å; L241-M252 HydrophobicContact CD2-CE 3.6Å; L241-M252 HydrophobicContact CD2-SD 4.29Å; L241-M252 HydrophobicContact CG-CE 3.88Å; A244-M252 HydrophobicContact CB-SD 4.09Å; D248-M252 WeakPolarHBondContact O-CG 3.36Å; D248-M252 PolarHBondContact O-N 2.94Å; D248-M252 VanDerWaalsContact O-N 3.11Å; R249-M252 PolarHBondContact O-N 3.05Å; M252-A254 PolarHBondContact O-N 3.04Å; M252-F255 WeakPolarHBondContact O-CB 3.38Å; M252-F255 PolarHBondContact O-N 2.65Å; M252-L256 WeakPolarHBondContact O-CG 3.42Å; M252-L256 PolarHBondContact O-N 3.19Å
253F87.7Confident85.7Confident14 Ų1461.8 Ų61.86%0.06132%0.319CS..Hα-helixtrans-63-39.9176.8-78.8-48.4000112.8L241 R249 Q250 F255 L256 N257 V290 T291 H294L241-F253 HydrophobicContact CD1-CE1 4.21Å; L241-F253 HydrophobicContact CD2-CD1 4.45Å; L241-F253 HydrophobicContact CD2-CE1 4.1Å; L241-F253 HydrophobicContact CD2-CZ 4.18Å; R249-F253 HydrophobicContact CG-CD2 3.91Å; R249-F253 HydrophobicContact CG-CE2 3.57Å; R249-F253 HydrophobicContact CG-CZ 4.36Å; R249-F253 VanDerWaalsContact O-CD2 3.28Å; R249-F253 WeakPolarHBondContact O-CD2 3.32Å; R249-F253 PolarHBondContact O-N 3.3Å; Q250-F253 PolarHBondContact O-N 2.9Å; F253-F255 VanDerWaalsContact C-N 3.27Å; F253-F255 PolarHBondContact O-N 3.25Å; F253-L256 HydrophobicContact CD1-CD1 4.23Å; F253-L256 PolarHBondContact O-N 3.27Å; F253-N257 WeakPolarHBondContact O-CB 3.43Å; F253-N257 VanDerWaalsContact O-CG 3.31Å; F253-N257 PolarHBondContact O-N 3.48Å; F253-N257 PolarHBondContact O-ND2 2.85Å; F253-N257 VanDerWaalsContact O-ND2 3.07Å; F253-V290 HydrophobicContact CZ-CG1 4.09Å; F253-T291 HydrophobicContact CE1-CG2 4.17Å; F253-T291 WeakPolarHBondContact CE1-OG1 3.29Å; F253-T291 HydrophobicContact CZ-CG2 4.5Å; F253-H294 HydrophobicContact CD2-CB 4.46Å; F253-H294 HydrophobicContact CE2-CB 4.08Å
254A87.1Confident85.7Confident62 Ų6261.8 Ų61.851%0.51231%0.312SS..Hα-helixtrans-59.3-41.5175.400000111.2Q250 E251 M252 K258Q250-A254 WeakPolarHBondContact O-CB 3.41Å; Q250-A254 PolarHBondContact O-N 2.95Å; E251-A254 PolarHBondContact O-N 3.13Å; M252-A254 PolarHBondContact O-N 3.04Å; A254-K258 WeakPolarHBondContact O-CB 3.28Å; A254-K258 PolarHBondContact O-N 3.47Å
255F88Confident85.8Confident46 Ų4661.7 Ų61.720%0.20231%0.311CS..Hα-helixtrans-66-48175.3-179.8-83.4000112.7M215 E216 V219 E251 M252 F253 N257 K258 K259M215-F255 HydrophobicContact CB-CD1 3.3Å; M215-F255 HydrophobicContact CB-CD2 4.41Å; M215-F255 HydrophobicContact CB-CE1 3.23Å; M215-F255 HydrophobicContact CB-CE2 4.34Å; M215-F255 HydrophobicContact CB-CG 3.93Å; M215-F255 HydrophobicContact CB-CZ 3.78Å; M215-F255 HydrophobicContact CG-CD1 4.08Å; M215-F255 HydrophobicContact CG-CE1 4.43Å; M215-F255 HydrophobicContact CG-CG 4.47Å; E216-F255 HydrophobicContact CB-CZ 4.24Å; E216-F255 HydrophobicContact CG-CE2 3.75Å; E216-F255 HydrophobicContact CG-CZ 3.36Å; V219-F255 HydrophobicContact CG2-CE1 4.39Å; E251-F255 PolarHBondContact O-N 3.01Å; M252-F255 WeakPolarHBondContact O-CB 3.38Å; M252-F255 PolarHBondContact O-N 2.65Å; F253-F255 VanDerWaalsContact C-N 3.27Å; F253-F255 PolarHBondContact O-N 3.25Å; F255-N257 VanDerWaalsContact C-N 3.29Å; F255-N257 PolarHBondContact O-N 3.32Å; F255-K258 WeakPolarHBondContact O-CB 3.31Å; F255-K258 PolarHBondContact O-N 3.15Å; F255-K258 VanDerWaalsContact O-N 3.12Å; F255-K259 HydrophobicContact CD1-CG 4.36Å; F255-K259 HydrophobicContact CE1-CB 4.5Å; F255-K259 HydrophobicContact CE1-CG 3.71Å; F255-K259 HydrophobicContact CE2-CG 4.21Å; F255-K259 HydrophobicContact CZ-CD 4.26Å; F255-K259 HydrophobicContact CZ-CG 3.61Å; F255-K259 PolarHBondContact O-N 3.18Å
256L86.7Confident85.8Confident15 Ų1558.1 Ų58.18%0.07929%0.293CS..Hα-helixtrans-59.7-40.5179.2-68.7174.5000111.7V219 L237 L241 M252 F253 N260 V261V219-L256 HydrophobicContact CG2-CD2 4.35Å; L237-L256 HydrophobicContact CD1-CD1 4.35Å; L237-L256 HydrophobicContact CD1-CD2 4.29Å; L237-L256 HydrophobicContact CD2-CD2 4.46Å; L241-L256 HydrophobicContact CD1-CD1 4.45Å; M252-L256 WeakPolarHBondContact O-CG 3.42Å; M252-L256 PolarHBondContact O-N 3.19Å; F253-L256 HydrophobicContact CD1-CD1 4.23Å; F253-L256 PolarHBondContact O-N 3.27Å; L256-N260 PolarHBondContact O-N 3.46Å; L256-V261 HydrophobicContact CB-CG2 4.49Å; L256-V261 HydrophobicContact CD2-CB 4.26Å; L256-V261 HydrophobicContact CD2-CG1 4.38Å; L256-V261 HydrophobicContact CD2-CG2 3.85Å; L256-V261 PolarHBondContact O-N 3.26Å
257N86.5Confident86.1Confident70 Ų7059.8 Ų59.837%0.37430%0.296SS..Hα-helixtrans-64.9-45.1173.9-74.8-39.4000111.4F253 F255 K259 N260 R262F253-N257 WeakPolarHBondContact O-CB 3.43Å; F253-N257 VanDerWaalsContact O-CG 3.31Å; F253-N257 PolarHBondContact O-N 3.48Å; F253-N257 PolarHBondContact O-ND2 2.85Å; F253-N257 VanDerWaalsContact O-ND2 3.07Å; F255-N257 VanDerWaalsContact C-N 3.29Å; F255-N257 PolarHBondContact O-N 3.32Å; N257-K259 VanDerWaalsContact C-N 3.27Å; N257-K259 PolarHBondContact O-N 3.19Å; N257-N260 PolarHBondContact O-N 3.1Å; N257-N260 VanDerWaalsContact O-N 3.08Å; N257-N260 PolarHBondContact O-OD1 2.86Å; N257-R262 PolarHBondContact OD1-NH1 3.45Å; N257-R262 PolarHBondContact OD1-NH2 3.19Å
258K87.5Confident86Confident174 Ų17460.1 Ų60.176%0.75729%0.288SS*.Hα-helixtrans-60.2-35178.7-175.9179.5179.3-178.60113A254 F255 N260A254-K258 WeakPolarHBondContact O-CB 3.28Å; A254-K258 PolarHBondContact O-N 3.47Å; F255-K258 WeakPolarHBondContact O-CB 3.31Å; F255-K258 PolarHBondContact O-N 3.15Å; F255-K258 VanDerWaalsContact O-N 3.12Å; K258-N260 VanDerWaalsContact C-N 3.35Å
259K85.5Confident86Confident96 Ų9658.8 Ų58.842%0.41728%0.28SS..THydrogen-bonded Turntrans-88.32.8178.4-68.2-73.2-175.7167.10113.7E216 F255 N257 V261E216-K259 WeakPolarHBondContact OE1-CE 3.08Å; E216-K259 IonicContact OE1-NZ 3.23Å; E216-K259 PolarHBondContact OE1-NZ 3.36Å; F255-K259 HydrophobicContact CD1-CG 4.36Å; F255-K259 HydrophobicContact CE1-CB 4.5Å; F255-K259 HydrophobicContact CE1-CG 3.71Å; F255-K259 HydrophobicContact CE2-CG 4.21Å; F255-K259 HydrophobicContact CZ-CD 4.26Å; F255-K259 HydrophobicContact CZ-CG 3.61Å; F255-K259 PolarHBondContact O-N 3.18Å; N257-K259 VanDerWaalsContact C-N 3.27Å; N257-K259 PolarHBondContact O-N 3.19Å; K259-V261 HydrophobicContact CB-CG2 3.96Å; K259-V261 PolarHBondContact O-N 3.08Å
260N83.5Confident86Confident73 Ų7357.9 Ų57.939%0.3928%0.279SS..THydrogen-bonded Turntrans52.335.7-178-64.8-40.6000113.9L256 N257 K258 R262 Q263 Y264L256-N260 PolarHBondContact O-N 3.46Å; N257-N260 PolarHBondContact O-N 3.1Å; N257-N260 VanDerWaalsContact O-N 3.08Å; N257-N260 PolarHBondContact O-OD1 2.86Å; K258-N260 VanDerWaalsContact C-N 3.35Å; N260-R262 PolarHBondContact O-N 3.18Å; N260-R262 VanDerWaalsContact O-N 3.13Å; N260-Q263 PolarHBondContact O-N 3.19Å; N260-Y264 PolarHBondContact O-N 3.29Å
261V86.1Confident85.9Confident5 Ų557.7 Ų57.73%0.0328%0.281CS..Hα-helixtrans-57.6-33-177.8-1790000111.4V219 L222 L256 K259 Q263 Y264 I265V219-V261 HydrophobicContact CB-CG2 4.46Å; V219-V261 HydrophobicContact CG1-CG2 3.99Å; V219-V261 HydrophobicContact CG2-CG2 3.52Å; L222-V261 HydrophobicContact CD1-CG1 4.37Å; L256-V261 HydrophobicContact CB-CG2 4.49Å; L256-V261 HydrophobicContact CD2-CB 4.26Å; L256-V261 HydrophobicContact CD2-CG1 4.38Å; L256-V261 HydrophobicContact CD2-CG2 3.85Å; L256-V261 PolarHBondContact O-N 3.26Å; K259-V261 HydrophobicContact CB-CG2 3.96Å; K259-V261 PolarHBondContact O-N 3.08Å; V261-Q263 VanDerWaalsContact C-N 3.33Å; V261-Q263 PolarHBondContact O-N 3.22Å; V261-Y264 WeakPolarHBondContact O-CB 3.05Å; V261-Y264 PolarHBondContact O-N 3.05Å; V261-I265 HydrophobicContact CG1-CD1 3.94Å; V261-I265 HydrophobicContact CG1-CG1 4.25Å; V261-I265 WeakPolarHBondContact O-CG1 3.4Å; V261-I265 PolarHBondContact O-N 2.89Å
262R86.1Confident85.6Confident37 Ų3753.6 Ų53.614%0.1427%0.266CS..Hα-helixtrans-54-46.2174.3-170.7-164.2-7297.813.6112.7N257 N260 Y264 I265 Y266 F432 F433 D436N257-R262 PolarHBondContact OD1-NH1 3.45Å; N257-R262 PolarHBondContact OD1-NH2 3.19Å; N260-R262 PolarHBondContact O-N 3.18Å; N260-R262 VanDerWaalsContact O-N 3.13Å; R262-Y264 VanDerWaalsContact C-N 3.34Å; R262-I265 PolarHBondContact O-N 3.16Å; R262-Y266 PolarHBondContact O-N 2.95Å; R262-F432 VanDerWaalsContact CD-O 3.32Å; R262-F432 WeakPolarHBondContact CD-O 3.41Å; R262-F433 HydrophobicContact CG-CB 4.36Å; R262-F433 HydrophobicContact CG-CD1 4.36Å; R262-F433 VanDerWaalsContact CG-O 3.3Å; R262-F433 WeakPolarHBondContact CG-O 3.5Å; R262-D436 IonicContact CZ-OD1 2.76Å; R262-D436 IonicContact NE-OD1 3.37Å; R262-D436 IonicContact NH1-OD1 2.67Å; R262-D436 PolarHBondContact NH1-OD1 2.93Å
263Q84.8Confident84.8Confident79 Ų7959.5 Ų59.537%0.36931%0.308SS..Hα-helixtrans-69.2-34.6179.8-66.8-172-200112N260 V261 Y266 K267N260-Q263 PolarHBondContact O-N 3.19Å; V261-Q263 VanDerWaalsContact C-N 3.33Å; V261-Q263 PolarHBondContact O-N 3.22Å; Q263-Y266 PolarHBondContact O-N 3.34Å; Q263-K267 WeakPolarHBondContact O-CG 3.12Å; Q263-K267 PolarHBondContact O-N 3.34Å
264Y85.3Confident84.2Confident32 Ų3261.3 Ų61.313%0.12532%0.322CS..Hα-helixtrans-62.6-51.8173175.2-92.3000110.7L222 Q223 Q230 N260 V261 R262 Y266 K267 D268 I269L222-Y264 HydrophobicContact CB-CE1 4.27Å; L222-Y264 WeakPolarHBondContact O-CE1 3.46Å; L222-Y264 VanDerWaalsContact O-CZ 3.26Å; L222-Y264 PolarHBondContact O-OH 3.26Å; Q223-Y264 VanDerWaalsContact CA-CZ 3.44Å; Q223-Y264 VanDerWaalsContact CA-OH 3.27Å; Q223-Y264 WeakPolarHBondContact CA-OH 3.19Å; Q223-Y264 HydrophobicContact CB-CE2 4.14Å; Q223-Y264 HydrophobicContact CG-CD1 4.36Å; Q223-Y264 HydrophobicContact CG-CD2 3.8Å; Q223-Y264 HydrophobicContact CG-CE1 4.2Å; Q223-Y264 HydrophobicContact CG-CE2 3.61Å; Q223-Y264 HydrophobicContact CG-CG 4.22Å; Q230-Y264 PolarHBondContact NE2-OH 3.21Å; Q230-Y264 VanDerWaalsContact NE2-OH 3.15Å; N260-Y264 PolarHBondContact O-N 3.29Å; V261-Y264 WeakPolarHBondContact O-CB 3.05Å; V261-Y264 PolarHBondContact O-N 3.05Å; R262-Y264 VanDerWaalsContact C-N 3.34Å; Y264-Y266 PolarHBondContact O-N 2.97Å; Y264-K267 PolarHBondContact O-N 3.19Å; Y264-D268 HydrophobicContact CD2-CB 4.02Å; Y264-D268 WeakPolarHBondContact CD2-OD2 3.39Å; Y264-D268 HydrophobicContact CE1-CB 4.22Å; Y264-D268 HydrophobicContact CE2-CB 3.45Å; Y264-D268 VanDerWaalsContact CE2-CB 3.45Å; Y264-D268 VanDerWaalsContact CE2-CG 3.47Å; Y264-D268 WeakPolarHBondContact CE2-OD2 3.27Å; Y264-D268 WeakPolarHBondContact O-CB 3.33Å; Y264-D268 PolarHBondContact O-N 2.85Å; Y264-I269 HydrophobicContact CE1-CD1 4.36Å; Y264-I269 HydrophobicContact CE1-CG1 4.36Å
265I87.8Confident83.8Confident2 Ų263.9 Ų63.91%0.0133%0.333CS..Iπ-helixtrans-54.9-43.2176.4-67169000110.7V261 R262 I269 I270 L284 L287 F433V261-I265 HydrophobicContact CG1-CD1 3.94Å; V261-I265 HydrophobicContact CG1-CG1 4.25Å; V261-I265 WeakPolarHBondContact O-CG1 3.4Å; V261-I265 PolarHBondContact O-N 2.89Å; R262-I265 PolarHBondContact O-N 3.16Å; I265-I269 HydrophobicContact CG1-CD1 4.2Å; I265-I269 HydrophobicContact CG2-CD1 4.44Å; I265-I269 WeakPolarHBondContact O-CB 3.31Å; I265-I269 PolarHBondContact O-N 3.14Å; I265-I270 HydrophobicContact CG2-CD1 4.06Å; I265-I270 HydrophobicContact CG2-CG1 4.35Å; I265-I270 PolarHBondContact O-N 3.43Å; I265-L284 HydrophobicContact CG2-CD2 3.41Å; I265-L284 VanDerWaalsContact CG2-CD2 3.41Å; I265-L287 HydrophobicContact CD1-CD2 3.7Å; I265-F433 HydrophobicContact CB-CD1 4.21Å; I265-F433 HydrophobicContact CD1-CE1 4.5Å; I265-F433 HydrophobicContact CG2-CD1 3.65Å; I265-F433 HydrophobicContact CG2-CE1 3.84Å; I265-F433 HydrophobicContact CG2-CG 4.28Å
266Y86.9Confident83.5Confident36 Ų3663.8 Ų63.814%0.14134%0.336CS..Iπ-helixtrans-62.9-48.5178.2-174.9-110.5000113.2R262 Q263 Y264 I270 L271 F433 T484R262-Y266 PolarHBondContact O-N 2.95Å; Q263-Y266 PolarHBondContact O-N 3.34Å; Y264-Y266 PolarHBondContact O-N 2.97Å; Y266-I270 HydrophobicContact CD2-CD1 4.44Å; Y266-L271 HydrophobicContact CD1-CD1 4.04Å; Y266-L271 HydrophobicContact CE1-CD1 3.52Å; Y266-L271 HydrophobicContact CE1-CG 4.37Å; Y266-L271 HydrophobicContact CE2-CD1 4.43Å; Y266-L271 HydrophobicContact CE2-CG 4.49Å; Y266-L271 WeakPolarHBondContact O-CB 3.35Å; Y266-L271 WeakPolarHBondContact O-CG 3.38Å; Y266-L271 PolarHBondContact O-N 3.33Å; Y266-F433 WeakPolarHBondContact CB-O 3.3Å; Y266-F433 HydrophobicContact CD2-CB 3.99Å; Y266-F433 HydrophobicContact CG-CB 4.35Å; Y266-T484 PolarHBondContact OH-O 3.4Å; Y266-T484 VanDerWaalsContact OH-O 3.09Å
267K85.9Confident83.1Confident125 Ų12568.1 Ų68.154%0.54336%0.356SS..Iπ-helixtrans-78.1-44.7-174.4-71.3179.1179.4176.30113.2Q263 Y264Q263-K267 WeakPolarHBondContact O-CG 3.12Å; Q263-K267 PolarHBondContact O-N 3.34Å; Y264-K267 PolarHBondContact O-N 3.19Å
268D82.2Confident82.6Confident82 Ų8271.2 Ų71.244%0.43937%0.373SS..Iπ-helixtrans-102.9-15.4-164.6-61.1-51000113.2Y264 S272Y264-D268 HydrophobicContact CD2-CB 4.02Å; Y264-D268 WeakPolarHBondContact CD2-OD2 3.39Å; Y264-D268 HydrophobicContact CE1-CB 4.22Å; Y264-D268 HydrophobicContact CE2-CB 3.45Å; Y264-D268 VanDerWaalsContact CE2-CB 3.45Å; Y264-D268 VanDerWaalsContact CE2-CG 3.47Å; Y264-D268 WeakPolarHBondContact CE2-OD2 3.27Å; Y264-D268 WeakPolarHBondContact O-CB 3.33Å; Y264-D268 PolarHBondContact O-N 2.85Å; D268-S272 WeakPolarHBondContact O-CB 3.41Å
269I83.7Confident82.1Confident6 Ų667.2 Ų67.23%0.03136%0.357CS..Iπ-helixtrans-109-58.2174-55.7178.7000110.2Y264 I265 S272 M280Y264-I269 HydrophobicContact CE1-CD1 4.36Å; Y264-I269 HydrophobicContact CE1-CG1 4.36Å; I265-I269 HydrophobicContact CG1-CD1 4.2Å; I265-I269 HydrophobicContact CG2-CD1 4.44Å; I265-I269 WeakPolarHBondContact O-CB 3.31Å; I265-I269 PolarHBondContact O-N 3.14Å; I269-S272 WeakPolarHBondContact O-CB 3.38Å; I269-S272 PolarHBondContact O-N 2.92Å; I269-S272 PolarHBondContact O-OG 3.2Å; I269-M280 HydrophobicContact CG2-CE 4.47Å; I269-M280 HydrophobicContact CG2-CG 3.97Å; I269-M280 HydrophobicContact CG2-SD 4.16Å
270I84.7Confident82.1Confident31 Ų3163 Ų6316%0.15934%0.338CS..Iπ-helixtrans-72-43-172.8-64.1171.2000112.2I265 Y266 S272 L284 F428 F433I265-I270 HydrophobicContact CG2-CD1 4.06Å; I265-I270 HydrophobicContact CG2-CG1 4.35Å; I265-I270 PolarHBondContact O-N 3.43Å; Y266-I270 HydrophobicContact CD2-CD1 4.44Å; I270-S272 VanDerWaalsContact C-N 3.32Å; I270-L284 HydrophobicContact CD1-CD1 4.47Å; I270-L284 HydrophobicContact CG1-CD1 4.05Å; I270-F428 HydrophobicContact CD1-CE2 3.85Å; I270-F428 HydrophobicContact CD1-CZ 4.42Å; I270-F428 HydrophobicContact CG1-CE2 4.22Å; I270-F428 HydrophobicContact CG1-CZ 4.32Å; I270-F433 HydrophobicContact CD1-CB 3.74Å; I270-F433 HydrophobicContact CD1-CD1 4.28Å; I270-F433 HydrophobicContact CD1-CD2 3.31Å; I270-F433 HydrophobicContact CD1-CE2 3.94Å; I270-F433 HydrophobicContact CD1-CG 3.51Å
271L83.8Confident82.1Confident99 Ų9960 Ų6052%0.51832%0.324SS..THydrogen-bonded Turntrans-93.113.3177.9-64179.1000113.2Y266Y266-L271 HydrophobicContact CD1-CD1 4.04Å; Y266-L271 HydrophobicContact CE1-CD1 3.52Å; Y266-L271 HydrophobicContact CE1-CG 4.37Å; Y266-L271 HydrophobicContact CE2-CD1 4.43Å; Y266-L271 HydrophobicContact CE2-CG 4.49Å; Y266-L271 WeakPolarHBondContact O-CB 3.35Å; Y266-L271 WeakPolarHBondContact O-CG 3.38Å; Y266-L271 PolarHBondContact O-N 3.33Å
272S81.4Confident82Confident37 Ų3762 Ų6226%0.25933%0.333SS..SBendtrans-64.9159.9178.476.10000111.8D268 I269 I270 S274D268-S272 WeakPolarHBondContact O-CB 3.41Å; I269-S272 WeakPolarHBondContact O-CB 3.38Å; I269-S272 PolarHBondContact O-N 2.92Å; I269-S272 PolarHBondContact O-OG 3.2Å; I270-S272 VanDerWaalsContact C-N 3.32Å; S272-S274 PolarHBondContact O-N 2.97Å; S272-S274 PolarHBondContact OG-O 3.4Å
273S69Low82Confident129 Ų12961.5 Ų61.590%0.90233%0.332SS*.SBendtrans-67.3-20.1-179.354.20000113.8
274S75.4Confident82.3Confident52 Ų5257.7 Ų57.736%0.36432%0.315SS..SBendtrans-103.2140.7-178.3-65.40000109.5S272S272-S274 PolarHBondContact O-N 2.97Å; S272-S274 PolarHBondContact OG-O 3.4Å
275P78.8Confident82.5Confident115 Ų11558 Ų5875%0.74732%0.316SS*.PPolyproline II helixtrans-63146.3178.827.9-34.1000110.8Q277P275-Q277 PolarHBondContact O-N 3.38Å
276V81.9Confident82.5Confident44 Ų4458 Ų5827%0.26732%0.316SS..PPolyproline II helixtrans-68.7122.3173.6-178.20000108.6M280 A281 L284V276-M280 HydrophobicContact CG1-CB 3.72Å; V276-M280 HydrophobicContact CG1-CG 3.59Å; V276-A281 HydrophobicContact CG1-CB 4.06Å; V276-L284 HydrophobicContact CG1-CD1 4.17Å
277Q79.1Confident82.7Confident106 Ų10656.9 Ų56.950%0.49531%0.312SS..PPolyproline II helixtrans-69.9160.5174.8-66-179.2-22.900111.7P275 E279 M280 A281P275-Q277 PolarHBondContact O-N 3.38Å; Q277-E279 VanDerWaalsContact C-N 3.35Å; Q277-E279 PolarHBondContact O-N 3.34Å; Q277-M280 PolarHBondContact O-N 3.05Å; Q277-M280 VanDerWaalsContact O-N 3.16Å; Q277-A281 PolarHBondContact O-N 3.32Å
278D74.7Confident83Confident136 Ų13651.4 Ų51.473%0.72729%0.289SS*.Hα-helixtrans-59-40.7-173.8-70.9-25.7000113.5A281 H282D278-A281 PolarHBondContact O-N 2.91Å; D278-H282 WeakPolarHBondContact O-CB 3.42Å; D278-H282 PolarHBondContact O-N 3.13Å
279E77.6Confident83.4Confident89 Ų8948.2 Ų48.242%0.41627%0.273SS..Hα-helixtrans-61-47.1176.1-66.9-173176.500112T231 Q277 H282 H283T231-E279 HydrophobicContact CG2-CB 3.88Å; Q277-E279 VanDerWaalsContact C-N 3.35Å; Q277-E279 PolarHBondContact O-N 3.34Å; E279-H282 WeakPolarHBondContact O-CB 3.45Å; E279-H282 PolarHBondContact O-N 2.85Å; E279-H283 VanDerWaalsContact O-CG 3.3Å; E279-H283 PolarHBondContact O-N 3.02Å; E279-H283 PolarHBondContact O-ND1 2.73Å; E279-H283 VanDerWaalsContact O-ND1 3.13Å
280M85.9Confident83.7Confident7 Ų748.7 Ų48.73%0.03428%0.276CS..Hα-helixtrans-65.6-40.2177.4-18061.677.300111.1Q230 M234 I269 V276 Q277 H282 H283 L284Q230-M280 HydrophobicContact CB-CE 3.93Å; M234-M280 HydrophobicContact CB-CE 4.29Å; M234-M280 HydrophobicContact CB-SD 4.25Å; M234-M280 HydrophobicContact CG-SD 4.09Å; I269-M280 HydrophobicContact CG2-CE 4.47Å; I269-M280 HydrophobicContact CG2-CG 3.97Å; I269-M280 HydrophobicContact CG2-SD 4.16Å; V276-M280 HydrophobicContact CG1-CB 3.72Å; V276-M280 HydrophobicContact CG1-CG 3.59Å; Q277-M280 PolarHBondContact O-N 3.05Å; Q277-M280 VanDerWaalsContact O-N 3.16Å; M280-H282 VanDerWaalsContact C-N 3.3Å; M280-H282 PolarHBondContact O-N 2.75Å; M280-H283 PolarHBondContact O-N 3.46Å; M280-L284 HydrophobicContact CG-CD1 4.31Å; M280-L284 HydrophobicContact CG-CG 4.46Å; M280-L284 VanDerWaalsContact O-CG 3.3Å; M280-L284 WeakPolarHBondContact O-CG 3.5Å; M280-L284 PolarHBondContact O-N 2.86Å; M280-L284 HydrophobicContact SD-CG 4.39Å
281A83.5Confident84Confident11 Ų1148.5 Ų48.59%0.09128%0.276CS..Hα-helixtrans-61.5-40176.500000111.7V276 Q277 D278 L284 Y285V276-A281 HydrophobicContact CG1-CB 4.06Å; Q277-A281 PolarHBondContact O-N 3.32Å; D278-A281 PolarHBondContact O-N 2.91Å; A281-L284 PolarHBondContact O-N 2.93Å; A281-Y285 WeakPolarHBondContact O-CB 3.25Å; A281-Y285 PolarHBondContact O-N 3.28Å
282H83Confident84.3Confident47 Ų4744.1 Ų44.122%0.21825%0.253CS..Hα-helixtrans-61.4-49.2172.3177.965.2000111.6D278 E279 M280 L284 Y285 V286 S422 E423 G425D278-H282 WeakPolarHBondContact O-CB 3.42Å; D278-H282 PolarHBondContact O-N 3.13Å; E279-H282 WeakPolarHBondContact O-CB 3.45Å; E279-H282 PolarHBondContact O-N 2.85Å; M280-H282 VanDerWaalsContact C-N 3.3Å; M280-H282 PolarHBondContact O-N 2.75Å; H282-L284 VanDerWaalsContact C-N 3.31Å; H282-L284 PolarHBondContact O-N 2.9Å; H282-Y285 WeakPolarHBondContact O-CB 3.39Å; H282-Y285 PolarHBondContact O-N 3.48Å; H282-Y285 VanDerWaalsContact O-N 3.12Å; H282-V286 WeakPolarHBondContact O-CG2 3.5Å; H282-V286 PolarHBondContact O-N 3.2Å; H282-S422 PolarHBondContact CE1-O 3.48Å; H282-S422 VanDerWaalsContact CE1-O 3.29Å; H282-E423 VanDerWaalsContact CE1-C 3.49Å; H282-E423 PolarHBondContact CE1-O 3.43Å; H282-G425 WeakPolarHBondContact CA-O 3.33Å; H282-G425 PolarHBondContact ND1-O 3.22Å
283H86.4Confident84.8Confident26 Ų2643.7 Ų43.712%0.1225%0.248CC..Hα-helixtrans-60.6-37.6177.4-62.2140.8000113.3M234 M238 E279 M280 V286 L287M234-H283 HydrophobicContact CB-CB 4.47Å; M234-H283 HydrophobicContact CE-CB 4.22Å; M234-H283 HydrophobicContact CG-CB 3.57Å; M238-H283 HydrophobicContact CG-CB 4.2Å; E279-H283 VanDerWaalsContact O-CG 3.3Å; E279-H283 PolarHBondContact O-N 3.02Å; E279-H283 PolarHBondContact O-ND1 2.73Å; E279-H283 VanDerWaalsContact O-ND1 3.13Å; M280-H283 PolarHBondContact O-N 3.46Å; H283-V286 PolarHBondContact O-N 2.94Å; H283-L287 WeakPolarHBondContact O-CB 3.46Å; H283-L287 PolarHBondContact O-N 2.62Å
284L90.9Very high85.6Confident0 Ų040.3 Ų40.30%022%0.218CC..Hα-helixtrans-65.5-40.6174.5-69173.9000112M234 I265 I270 V276 M280 A281 H282 L287 Q288 F428 F433M234-L284 HydrophobicContact CE-CD2 4.13Å; I265-L284 HydrophobicContact CG2-CD2 3.41Å; I265-L284 VanDerWaalsContact CG2-CD2 3.41Å; I270-L284 HydrophobicContact CD1-CD1 4.47Å; I270-L284 HydrophobicContact CG1-CD1 4.05Å; V276-L284 HydrophobicContact CG1-CD1 4.17Å; M280-L284 HydrophobicContact CG-CD1 4.31Å; M280-L284 HydrophobicContact CG-CG 4.46Å; M280-L284 VanDerWaalsContact O-CG 3.3Å; M280-L284 WeakPolarHBondContact O-CG 3.5Å; M280-L284 PolarHBondContact O-N 2.86Å; M280-L284 HydrophobicContact SD-CG 4.39Å; A281-L284 PolarHBondContact O-N 2.93Å; H282-L284 VanDerWaalsContact C-N 3.31Å; H282-L284 PolarHBondContact O-N 2.9Å; L284-L287 PolarHBondContact O-N 3.25Å; L284-Q288 WeakPolarHBondContact O-CB 3.41Å; L284-Q288 PolarHBondContact O-N 3.33Å; L284-F428 HydrophobicContact CB-CD1 3.95Å; L284-F428 HydrophobicContact CB-CE1 4.16Å; L284-F428 HydrophobicContact CB-CG 4.25Å; L284-F428 HydrophobicContact CD1-CD1 4.46Å; L284-F428 HydrophobicContact CD1-CE1 3.84Å; L284-F428 HydrophobicContact CD1-CE2 4.42Å; L284-F428 HydrophobicContact CD1-CZ 3.81Å; L284-F433 HydrophobicContact CB-CE2 4.46Å; L284-F433 HydrophobicContact CB-CZ 4.1Å; L284-F433 HydrophobicContact CD2-CE1 4.05Å; L284-F433 HydrophobicContact CD2-CE2 4.49Å; L284-F433 HydrophobicContact CD2-CZ 3.83Å
285Y89.4Confident86.3Confident37 Ų3739.5 Ų39.515%0.14521%0.209CC..Hα-helixtrans-62.2-44.3173.3163.2-98.7000111.8A281 H282 Q288 S289 P421 S422 G425 S427A281-Y285 WeakPolarHBondContact O-CB 3.25Å; A281-Y285 PolarHBondContact O-N 3.28Å; H282-Y285 WeakPolarHBondContact O-CB 3.39Å; H282-Y285 PolarHBondContact O-N 3.48Å; H282-Y285 VanDerWaalsContact O-N 3.12Å; Y285-Q288 PolarHBondContact O-N 2.96Å; Y285-S289 WeakPolarHBondContact O-CB 3.38Å; Y285-S289 PolarHBondContact O-N 3.12Å; Y285-S289 PolarHBondContact O-OG 2.91Å; Y285-P421 HydrophobicContact CE1-CB 4.39Å; Y285-S422 PolarHBondContact OH-N 3.33Å; Y285-G425 VanDerWaalsContact CD1-C 3.48Å; Y285-G425 WeakPolarHBondContact CD1-O 3.42Å; Y285-S427 WeakPolarHBondContact CD2-O 3.43Å
286V88.4Confident86.9Confident3 Ų336.4 Ų36.42%0.01819%0.185CC..Hα-helixtrans-62.8-46.3176.4174.70000110.4M238 Q242 H282 H283 Q288 S289 V290 P421M238-V286 HydrophobicContact CB-CG1 4.39Å; M238-V286 HydrophobicContact CG-CB 4.47Å; M238-V286 HydrophobicContact CG-CG1 4.21Å; M238-V286 HydrophobicContact SD-CB 4.33Å; M238-V286 HydrophobicContact SD-CG1 4.06Å; Q242-V286 VanDerWaalsContact NE2-CG1 3.34Å; H282-V286 WeakPolarHBondContact O-CG2 3.5Å; H282-V286 PolarHBondContact O-N 3.2Å; H283-V286 PolarHBondContact O-N 2.94Å; V286-Q288 VanDerWaalsContact C-N 3.34Å; V286-Q288 PolarHBondContact O-N 3.18Å; V286-S289 PolarHBondContact O-N 3.37Å; V286-V290 HydrophobicContact CG1-CG2 4.06Å; V286-V290 WeakPolarHBondContact O-CB 3.16Å; V286-V290 VanDerWaalsContact O-CG2 3.29Å; V286-V290 WeakPolarHBondContact O-CG2 3.24Å; V286-V290 PolarHBondContact O-N 2.95Å; V286-P421 HydrophobicContact CG1-CB 4.43Å; V286-P421 HydrophobicContact CG2-CB 4.31Å
287L91.4Very high87.3Confident12 Ų1237.9 Ų37.96%0.06319%0.194CC..Hα-helixtrans-58.7-46.4177.4177.256.8000111.4M234 M238 L241 I265 H283 L284 S289 T291 F433M234-L287 HydrophobicContact CE-CB 3.69Å; M234-L287 HydrophobicContact CE-CD2 3.61Å; M234-L287 HydrophobicContact CE-CG 4.23Å; M238-L287 HydrophobicContact CE-CB 3.94Å; M238-L287 HydrophobicContact CE-CD1 3.94Å; M238-L287 HydrophobicContact CE-CD2 4.49Å; M238-L287 HydrophobicContact CE-CG 4.31Å; M238-L287 HydrophobicContact SD-CB 3.58Å; M238-L287 VanDerWaalsContact SD-CB 3.58Å; M238-L287 HydrophobicContact SD-CD1 4.37Å; M238-L287 HydrophobicContact SD-CG 4.5Å; L241-L287 HydrophobicContact CD1-CD1 3.89Å; I265-L287 HydrophobicContact CD1-CD2 3.7Å; H283-L287 WeakPolarHBondContact O-CB 3.46Å; H283-L287 PolarHBondContact O-N 2.62Å; L284-L287 PolarHBondContact O-N 3.25Å; L287-S289 VanDerWaalsContact C-N 3.34Å; L287-S289 PolarHBondContact O-N 2.7Å; L287-T291 VanDerWaalsContact O-CB 3.29Å; L287-T291 WeakPolarHBondContact O-CB 3.3Å; L287-T291 PolarHBondContact O-N 3.04Å; L287-T291 PolarHBondContact O-OG1 2.87Å; L287-F433 HydrophobicContact CD2-CE1 3.96Å
288Q91.9Very high87.9Confident11 Ų1137 Ų375%0.05119%0.186CC..Hα-helixtrans-57.9-50.1177.6-179.3-172-69.500110.3L284 Y285 V286 T291 L292 F432L284-Q288 WeakPolarHBondContact O-CB 3.41Å; L284-Q288 PolarHBondContact O-N 3.33Å; Y285-Q288 PolarHBondContact O-N 2.96Å; V286-Q288 VanDerWaalsContact C-N 3.34Å; V286-Q288 PolarHBondContact O-N 3.18Å; Q288-T291 PolarHBondContact O-N 3Å; Q288-L292 HydrophobicContact CG-CD1 3.79Å; Q288-L292 HydrophobicContact CG-CG 4.4Å; Q288-L292 WeakPolarHBondContact O-CB 3.47Å; Q288-L292 VanDerWaalsContact O-CG 3.27Å; Q288-L292 WeakPolarHBondContact O-CG 3.26Å; Q288-L292 PolarHBondContact O-N 3.27Å; Q288-F432 HydrophobicContact CB-CD1 4.08Å; Q288-F432 HydrophobicContact CB-CE1 4.12Å; Q288-F432 HydrophobicContact CB-CG 4.49Å; Q288-F432 HydrophobicContact CG-CB 4.36Å; Q288-F432 HydrophobicContact CG-CD1 3.92Å; Q288-F432 HydrophobicContact CG-CD2 4.03Å; Q288-F432 HydrophobicContact CG-CE1 4.23Å; Q288-F432 HydrophobicContact CG-CE2 4.32Å; Q288-F432 HydrophobicContact CG-CG 3.83Å; Q288-F432 HydrophobicContact CG-CZ 4.43Å
289S90.9Very high88.7Confident14 Ų1431.1 Ų31.110%0.09816%0.155CC..Hα-helixtrans-63.6-47.5-176.8-55.20000111.9Y285 V286 L287 T291 L292 N293Y285-S289 WeakPolarHBondContact O-CB 3.38Å; Y285-S289 PolarHBondContact O-N 3.12Å; Y285-S289 PolarHBondContact O-OG 2.91Å; V286-S289 PolarHBondContact O-N 3.37Å; L287-S289 VanDerWaalsContact C-N 3.34Å; L287-S289 PolarHBondContact O-N 2.7Å; S289-T291 VanDerWaalsContact C-N 3.33Å; S289-T291 PolarHBondContact O-N 3.33Å; S289-L292 PolarHBondContact O-N 2.92Å; S289-N293 VanDerWaalsContact O-CB 3.31Å; S289-N293 WeakPolarHBondContact O-CB 3.25Å; S289-N293 PolarHBondContact O-N 3.41Å; S289-N293 PolarHBondContact O-ND2 3.47Å; S289-N293 PolarHBondContact O-OD1 3.03Å
290V89.7Confident89.4Confident16 Ų1634.2 Ų34.210%0.09716%0.162CC..Hα-helixtrans-65.1-37.6178.5179.10000111.3L241 Q242 F253 V286 H294 P421L241-V290 HydrophobicContact CB-CG1 4.35Å; Q242-V290 HydrophobicContact CG-CG2 4.5Å; F253-V290 HydrophobicContact CZ-CG1 4.09Å; V286-V290 HydrophobicContact CG1-CG2 4.06Å; V286-V290 WeakPolarHBondContact O-CB 3.16Å; V286-V290 VanDerWaalsContact O-CG2 3.29Å; V286-V290 WeakPolarHBondContact O-CG2 3.24Å; V286-V290 PolarHBondContact O-N 2.95Å; V290-H294 PolarHBondContact O-N 3.01Å; V290-P421 HydrophobicContact CG2-CG 4.33Å
291T89.8Confident89.7Confident28 Ų2836.4 Ų36.417%0.17218%0.176CC..Hα-helixtrans-68.9-41.6176.8-52.80000111.8F253 L287 Q288 S289 H294 F432F253-T291 HydrophobicContact CE1-CG2 4.17Å; F253-T291 WeakPolarHBondContact CE1-OG1 3.29Å; F253-T291 HydrophobicContact CZ-CG2 4.5Å; L287-T291 VanDerWaalsContact O-CB 3.29Å; L287-T291 WeakPolarHBondContact O-CB 3.3Å; L287-T291 PolarHBondContact O-N 3.04Å; L287-T291 PolarHBondContact O-OG1 2.87Å; Q288-T291 PolarHBondContact O-N 3Å; S289-T291 VanDerWaalsContact C-N 3.33Å; S289-T291 PolarHBondContact O-N 3.33Å; T291-H294 WeakPolarHBondContact O-CB 3.48Å; T291-H294 PolarHBondContact O-N 3.44Å; T291-F432 HydrophobicContact CG2-CE2 4.22Å; T291-F432 HydrophobicContact CG2-CZ 3.71Å
292L91.3Very high90Very high7 Ų738.7 Ų38.74%0.03719%0.19CC..Hα-helixtrans-67.3-40176.9-73.3173.9000111.5Q288 S289 H294 L295 L415 I417 F432Q288-L292 HydrophobicContact CG-CD1 3.79Å; Q288-L292 HydrophobicContact CG-CG 4.4Å; Q288-L292 WeakPolarHBondContact O-CB 3.47Å; Q288-L292 VanDerWaalsContact O-CG 3.27Å; Q288-L292 WeakPolarHBondContact O-CG 3.26Å; Q288-L292 PolarHBondContact O-N 3.27Å; S289-L292 PolarHBondContact O-N 2.92Å; L292-H294 PolarHBondContact O-N 3.36Å; L292-H294 VanDerWaalsContact O-N 3.17Å; L292-L295 VanDerWaalsContact O-CB 3.26Å; L292-L295 WeakPolarHBondContact O-CB 3.31Å; L292-L295 PolarHBondContact O-N 3.09Å; L292-L415 HydrophobicContact CD1-CB 4.31Å; L292-I417 HydrophobicContact CB-CG1 4.36Å; L292-F432 HydrophobicContact CD2-CD2 4.32Å; L292-F432 HydrophobicContact CD2-CE2 4.08Å; L292-F432 HydrophobicContact CG-CD2 4.44Å; L292-F432 HydrophobicContact CG-CE2 4.08Å
293N90.9Very high90.2Very high27 Ų2737.1 Ų37.114%0.14418%0.184CC..Hα-helixtrans-65.1-17.5177.1-69.8-9.9000113S289 L295 E296 G418 D419S289-N293 VanDerWaalsContact O-CB 3.31Å; S289-N293 WeakPolarHBondContact O-CB 3.25Å; S289-N293 PolarHBondContact O-N 3.41Å; S289-N293 PolarHBondContact O-ND2 3.47Å; S289-N293 PolarHBondContact O-OD1 3.03Å; N293-L295 PolarHBondContact O-N 2.87Å; N293-E296 WeakPolarHBondContact O-CB 3.37Å; N293-E296 PolarHBondContact O-N 3.42Å; N293-G418 PolarHBondContact OD1-N 2.89Å; N293-D419 PolarHBondContact ND2-O 2.88Å
294H87.5Confident90.2Very high58 Ų5839.3 Ų39.327%0.26920%0.196SC..THydrogen-bonded Turntrans-59.1-27.5168.7-169.653000112.8Q250 F253 V290 T291 L292 E296Q250-H294 WeakPolarHBondContact CG-CE1 3.49Å; F253-H294 HydrophobicContact CD2-CB 4.46Å; F253-H294 HydrophobicContact CE2-CB 4.08Å; V290-H294 PolarHBondContact O-N 3.01Å; T291-H294 WeakPolarHBondContact O-CB 3.48Å; T291-H294 PolarHBondContact O-N 3.44Å; L292-H294 PolarHBondContact O-N 3.36Å; L292-H294 VanDerWaalsContact O-N 3.17Å; H294-E296 VanDerWaalsContact C-N 3.27Å; H294-E296 PolarHBondContact O-N 3.44Å
295L89.9Confident89.5Confident36 Ų3642 Ų4219%0.18821%0.214CC..THydrogen-bonded Turntrans-77.4-12.7176.5-55.5174.8000112.7L292 N293 T297 R298 M299 L366 I417 L439L292-L295 VanDerWaalsContact O-CB 3.26Å; L292-L295 WeakPolarHBondContact O-CB 3.31Å; L292-L295 PolarHBondContact O-N 3.09Å; N293-L295 PolarHBondContact O-N 2.87Å; L295-T297 VanDerWaalsContact C-N 3.29Å; L295-T297 PolarHBondContact O-N 3.26Å; L295-R298 PolarHBondContact O-N 2.88Å; L295-M299 WeakPolarHBondContact O-CB 3.32Å; L295-M299 PolarHBondContact O-N 3.33Å; L295-L366 HydrophobicContact CB-CD1 4.47Å; L295-L366 HydrophobicContact CB-CD2 4.35Å; L295-I417 HydrophobicContact CB-CG2 4.29Å; L295-I417 HydrophobicContact CD1-CD1 4.25Å; L295-L439 HydrophobicContact CD1-CB 4.11Å; L295-L439 HydrophobicContact CD1-CD2 3.74Å
296E90.8Very high89.1Confident49 Ų4949.3 Ų49.323%0.22924%0.243CC..Hα-helixtrans-59.2-39.9-179.5-176.4177.9-166.800111.7N293 H294 R298 M299 R300 I417 G418N293-E296 WeakPolarHBondContact O-CB 3.37Å; N293-E296 PolarHBondContact O-N 3.42Å; H294-E296 VanDerWaalsContact C-N 3.27Å; H294-E296 PolarHBondContact O-N 3.44Å; E296-R298 VanDerWaalsContact C-N 3.33Å; E296-R298 PolarHBondContact O-N 2.72Å; E296-M299 HydrophobicContact CG-CE 4.07Å; E296-M299 WeakPolarHBondContact O-CB 3.1Å; E296-M299 PolarHBondContact O-N 3.07Å; E296-M299 VanDerWaalsContact O-N 3.11Å; E296-R300 HydrophobicContact CG-CG 4.17Å; E296-R300 PolarHBondContact O-N 3.47Å; E296-R300 IonicContact OE1-CZ 3.77Å; E296-R300 IonicContact OE1-NE 3.58Å; E296-R300 PolarHBondContact OE1-NE 3.25Å; E296-R300 IonicContact OE1-NH2 3.61Å; E296-R300 PolarHBondContact OE1-NH2 3.01Å; E296-I417 HydrophobicContact CB-CG2 4.47Å; E296-G418 VanDerWaalsContact CD-CA 3.44Å; E296-G418 WeakPolarHBondContact OE2-CA 3.44Å
297T90.5Very high88.9Confident76 Ų7650.7 Ų50.747%0.46625%0.252SS..Hα-helixtrans-58-46.7178.1-51.60000110.9L295 R300 T301L295-T297 VanDerWaalsContact C-N 3.29Å; L295-T297 PolarHBondContact O-N 3.26Å; T297-R300 PolarHBondContact O-N 3.49Å; T297-T301 WeakPolarHBondContact O-CB 3.24Å; T297-T301 PolarHBondContact O-N 3.26Å; T297-T301 VanDerWaalsContact O-N 3.12Å; T297-T301 PolarHBondContact O-OG1 3.48Å
298R90.8Very high88.7Confident88 Ų8856.2 Ų56.233%0.33228%0.278SS..Hα-helixtrans-66.8-39.3175.8-65.2-67.1-66173.2-3.6111.5L295 E296 R300 T301 L365 L366 D369L295-R298 PolarHBondContact O-N 2.88Å; E296-R298 VanDerWaalsContact C-N 3.33Å; E296-R298 PolarHBondContact O-N 2.72Å; R298-R300 VanDerWaalsContact C-N 3.32Å; R298-R300 PolarHBondContact O-N 3.33Å; R298-T301 PolarHBondContact O-N 3.22Å; R298-L365 VanDerWaalsContact NH1-CD1 3.33Å; R298-L365 PolarHBondContact O-N 3.32Å; R298-L366 HydrophobicContact CB-CB 4.41Å; R298-L366 HydrophobicContact CB-CD1 4.35Å; R298-D369 IonicContact CZ-OD1 3.07Å; R298-D369 IonicContact CZ-OD2 3.83Å; R298-D369 VanDerWaalsContact CZ-OD2 3.23Å; R298-D369 IonicContact NE-OD2 3.25Å; R298-D369 PolarHBondContact NE-OD2 2.66Å; R298-D369 IonicContact NH2-OD1 2.8Å; R298-D369 PolarHBondContact NH2-OD1 3.31Å; R298-D369 IonicContact NH2-OD2 3.5Å; R298-D369 PolarHBondContact NH2-OD2 3.5Å
299M92.8Very high88.5Confident12 Ų1263.3 Ų63.36%0.05931%0.311CS..Hα-helixtrans-61.9-37.5179-172.1-176.164.100113L295 E296 P362 P363 L366 C412 I417L295-M299 WeakPolarHBondContact O-CB 3.32Å; L295-M299 PolarHBondContact O-N 3.33Å; E296-M299 HydrophobicContact CG-CE 4.07Å; E296-M299 WeakPolarHBondContact O-CB 3.1Å; E296-M299 PolarHBondContact O-N 3.07Å; E296-M299 VanDerWaalsContact O-N 3.11Å; M299-P362 HydrophobicContact CG-CB 3.71Å; M299-P362 HydrophobicContact SD-CB 3.95Å; M299-P363 CarbonylContact C-O 3.55Å; M299-P363 VanDerWaalsContact CA-O 3.32Å; M299-P363 WeakPolarHBondContact CA-O 3.47Å; M299-P363 CarbonylContact O-C 3.56Å; M299-P363 VanDerWaalsContact O-O 3.13Å; M299-L366 HydrophobicContact CB-CB 4.46Å; M299-L366 HydrophobicContact CB-CD2 3.94Å; M299-L366 HydrophobicContact CG-CD2 4.31Å; M299-C412 HydrophobicContact SD-CB 3.71Å; M299-I417 HydrophobicContact CE-CG2 4.36Å; M299-I417 HydrophobicContact SD-CB 4.46Å; M299-I417 HydrophobicContact SD-CG2 4.21Å
300R91.8Very high88.3Confident153 Ų15364 Ų6458%0.57731%0.313SS*.Hα-helixtrans-90.9-10.4-178.7-67.4-170.1-174.3-98.73.3114E296 T297 R298 P302 T361E296-R300 HydrophobicContact CG-CG 4.17Å; E296-R300 PolarHBondContact O-N 3.47Å; E296-R300 IonicContact OE1-CZ 3.77Å; E296-R300 IonicContact OE1-NE 3.58Å; E296-R300 PolarHBondContact OE1-NE 3.25Å; E296-R300 IonicContact OE1-NH2 3.61Å; E296-R300 PolarHBondContact OE1-NH2 3.01Å; T297-R300 PolarHBondContact O-N 3.49Å; R298-R300 VanDerWaalsContact C-N 3.32Å; R298-R300 PolarHBondContact O-N 3.33Å; R300-P302 WeakPolarHBondContact O-CD 3.37Å; R300-T361 VanDerWaalsContact O-CG2 3.3Å; R300-T361 WeakPolarHBondContact O-CG2 3.31Å
301T91.6Very high88.1Confident54 Ų5467.6 Ų67.633%0.33132%0.324SS..PPolyproline II helixtrans-84.4121.1178.7-58.10000109.7T297 R298 G364 L365T297-T301 WeakPolarHBondContact O-CB 3.24Å; T297-T301 PolarHBondContact O-N 3.26Å; T297-T301 VanDerWaalsContact O-N 3.12Å; T297-T301 PolarHBondContact O-OG1 3.48Å; R298-T301 PolarHBondContact O-N 3.22Å; T301-G364 WeakPolarHBondContact O-CA 3.49Å; T301-L365 HydrophobicContact CG2-CD1 3.48Å; T301-L365 VanDerWaalsContact CG2-CD1 3.48Å; T301-L365 HydrophobicContact CG2-CG 4.27Å; T301-L365 WeakPolarHBondContact O-CG 3.09Å; T301-L365 PolarHBondContact O-N 3.14Å
302P90.7Very high88Confident59 Ų5970.4 Ų70.438%0.38334%0.338SS..PPolyproline II helixtrans-72.1157.1173.531.5-35000110.7R300 D304 V359 T361R300-P302 WeakPolarHBondContact O-CD 3.37Å; P302-D304 PolarHBondContact O-N 3.35Å; P302-V359 HydrophobicContact CB-CG1 4.25Å; P302-V359 WeakPolarHBondContact CB-O 3.29Å; P302-T361 HydrophobicContact CB-CG2 4.2Å
303L87.3Confident87.8Confident14 Ų1471 Ų717%0.07335%0.345CS..PPolyproline II helixtrans-65.1126.1172.4-171.5149.1000111.4L314 L358 L365 L368L303-L314 HydrophobicContact CD1-CD2 4.47Å; L303-L358 HydrophobicContact CB-CB 3.74Å; L303-L358 HydrophobicContact CD1-CB 3.85Å; L303-L358 HydrophobicContact CD1-CD1 3.51Å; L303-L358 HydrophobicContact CD1-CG 4.32Å; L303-L358 HydrophobicContact CG-CB 4.44Å; L303-L358 PolarHBondContact N-O 3.16Å; L303-L365 HydrophobicContact CB-CD2 3.98Å; L303-L365 HydrophobicContact CD1-CD2 4.46Å; L303-L365 HydrophobicContact CG-CD2 4.17Å; L303-L368 HydrophobicContact CD1-CD2 3.89Å
304D85.3Confident87.6Confident72 Ų7270.3 Ų70.339%0.38534%0.341SS..  trans-92.3111.7172.9178.113.2000110.2P302 Y306 C307 Q310P302-D304 PolarHBondContact O-N 3.35Å; D304-Y306 PolarHBondContact O-N 2.77Å; D304-Y306 WeakPolarHBondContact OD1-CB 3.35Å; D304-Y306 WeakPolarHBondContact OD1-CD2 3.42Å; D304-Y306 PolarHBondContact OD1-N 3.19Å; D304-C307 HydrophobicContact CB-CB 4.01Å; D304-C307 PolarHBondContact O-N 3.48Å; D304-C307 PolarHBondContact OD2-N 3.3Å; D304-Q310 PolarHBondContact O-OE1 3.5Å
305C76.3Confident87.5Confident56 Ų5670.9 Ų70.938%0.37834%0.344SS..THydrogen-bonded Turntrans-69.6-11.7179.163.50000113.4R311C305-R311 WeakPolarHBondContact O-CD 3.33Å; C305-R311 PolarHBondContact O-NH1 3.24Å
306Y80.8Confident87.3Confident190 Ų19069.9 Ų69.975%0.74534%0.342SS*.THydrogen-bonded Turntrans-90.2-21.6175.3-61.1-76.4000112.9D304 Q308 R311D304-Y306 PolarHBondContact O-N 2.77Å; D304-Y306 WeakPolarHBondContact OD1-CB 3.35Å; D304-Y306 WeakPolarHBondContact OD1-CD2 3.42Å; D304-Y306 PolarHBondContact OD1-N 3.19Å; Y306-Q308 PolarHBondContact O-N 3.43Å; Y306-R311 PolarHBondContact O-NH1 3.16Å; Y306-R311 PolarHBondContact O-NH2 3.1Å
307C86.2Confident87.2Confident32 Ų3267.6 Ų67.622%0.21633%0.331CS..  trans-69.6122.6176.6-175.80000111.8D304 Q310 R311D304-C307 HydrophobicContact CB-CB 4.01Å; D304-C307 PolarHBondContact O-N 3.48Å; D304-C307 PolarHBondContact OD2-N 3.3Å; C307-Q310 HydrophobicContact CB-CB 4.14Å; C307-Q310 HydrophobicContact CB-CG 4.02Å; C307-R311 WeakPolarHBondContact O-CG 3.43Å; C307-R311 PolarHBondContact O-N 2.93Å
308Q86.2Confident87.1Confident128 Ų12864.5 Ų64.560%0.59831%0.311SS*.Hα-helixtrans-65.9-46.4-178.8-178.9171.5-7.300112.3Y306 Q310 R311 D312Y306-Q308 PolarHBondContact O-N 3.43Å; Q308-Q310 VanDerWaalsContact C-N 3.31Å; Q308-Q310 PolarHBondContact O-N 3.2Å; Q308-R311 PolarHBondContact O-N 3.36Å; Q308-D312 WeakPolarHBondContact CG-OD2 3.4Å; Q308-D312 WeakPolarHBondContact O-CB 3.43Å; Q308-D312 PolarHBondContact O-N 2.89Å
309E88.3Confident86.9Confident160 Ų16065.2 Ų65.275%0.74832%0.318SS*.Hα-helixtrans-59.3-40.6-178.4-63.6177.1177.400112.6D312 A313E309-D312 PolarHBondContact O-N 2.78Å; E309-A313 WeakPolarHBondContact O-CB 3.39Å; E309-A313 PolarHBondContact O-N 3.25Å
310Q87.3Confident86.6Confident29 Ų2966.6 Ų66.614%0.13633%0.331CS..Hα-helixtrans-70.1-38.6179.5-64.1175.123.700111.9D304 C307 Q308 L314 L365D304-Q310 PolarHBondContact O-OE1 3.5Å; C307-Q310 HydrophobicContact CB-CB 4.14Å; C307-Q310 HydrophobicContact CB-CG 4.02Å; Q308-Q310 VanDerWaalsContact C-N 3.31Å; Q308-Q310 PolarHBondContact O-N 3.2Å; Q310-L314 WeakPolarHBondContact O-CB 3.47Å; Q310-L314 PolarHBondContact O-N 3.32Å; Q310-L365 HydrophobicContact CG-CD2 4.21Å
311R84.6Confident86.2Confident91 Ų9159.6 Ų59.634%0.34331%0.306SS..Hα-helixtrans-64.2-42.8171.8-72.6-167.7-58.1-100.5-5.8111.4C305 Y306 C307 Q308 A313 L314 H315C305-R311 WeakPolarHBondContact O-CD 3.33Å; C305-R311 PolarHBondContact O-NH1 3.24Å; Y306-R311 PolarHBondContact O-NH1 3.16Å; Y306-R311 PolarHBondContact O-NH2 3.1Å; C307-R311 WeakPolarHBondContact O-CG 3.43Å; C307-R311 PolarHBondContact O-N 2.93Å; Q308-R311 PolarHBondContact O-N 3.36Å; R311-A313 VanDerWaalsContact C-N 3.35Å; R311-L314 PolarHBondContact O-N 3.4Å; R311-H315 WeakPolarHBondContact O-CB 3.41Å; R311-H315 PolarHBondContact O-CD2 2.91Å; R311-H315 PolarHBondContact O-N 2.83Å
312D86.6Confident85.7Confident87 Ų8759 Ų5947%0.46530%0.299SS..Hα-helixtrans-65.5-39.8-179.3-68.5-13.6000110.7Q308 E309 H315 G316Q308-D312 WeakPolarHBondContact CG-OD2 3.4Å; Q308-D312 WeakPolarHBondContact O-CB 3.43Å; Q308-D312 PolarHBondContact O-N 2.89Å; E309-D312 PolarHBondContact O-N 2.78Å; D312-H315 PolarHBondContact O-N 3.45Å; D312-G316 PolarHBondContact O-N 3.31Å
313A87.5Confident84.6Confident21 Ų2163.9 Ų63.917%0.17432%0.317CS..Hα-helixtrans-62-44.1172.200000112.3E309 R311 G316 L317 L368 F372E309-A313 WeakPolarHBondContact O-CB 3.39Å; E309-A313 PolarHBondContact O-N 3.25Å; R311-A313 VanDerWaalsContact C-N 3.35Å; A313-G316 PolarHBondContact O-N 2.81Å; A313-L317 PolarHBondContact O-N 3.49Å; A313-L317 VanDerWaalsContact O-N 3.11Å; A313-L368 HydrophobicContact CB-CD2 4.18Å; A313-L368 HydrophobicContact CB-CG 4.44Å; A313-F372 HydrophobicContact CB-CD2 4.2Å; A313-F372 HydrophobicContact CB-CE2 4.46Å
314L87.1Confident83.1Confident12 Ų1266 Ų666%0.06333%0.331CS..Hα-helixtrans-65.4-39.9177.8-174.260.4000112.4L303 Q310 R311 G316 L317 F343 F348 P354 L358 L368L303-L314 HydrophobicContact CD1-CD2 4.47Å; Q310-L314 WeakPolarHBondContact O-CB 3.47Å; Q310-L314 PolarHBondContact O-N 3.32Å; R311-L314 PolarHBondContact O-N 3.4Å; L314-G316 VanDerWaalsContact C-N 3.35Å; L314-L317 HydrophobicContact CD1-CD1 4.32Å; L314-F343 HydrophobicContact CD1-CE1 4.39Å; L314-F343 HydrophobicContact CG-CE1 4.21Å; L314-F343 HydrophobicContact CG-CZ 4.45Å; L314-F348 HydrophobicContact CD1-CE1 4.14Å; L314-F348 HydrophobicContact CD1-CE2 4.33Å; L314-F348 HydrophobicContact CD1-CZ 3.6Å; L314-P354 HydrophobicContact CD1-CB 4.46Å; L314-P354 HydrophobicContact CD2-CB 4.2Å; L314-P354 HydrophobicContact CD2-CG 3.81Å; L314-P354 HydrophobicContact CG-CG 4.35Å; L314-L358 HydrophobicContact CD1-CD1 4.18Å; L314-L368 HydrophobicContact CB-CD1 4.37Å; L314-L368 HydrophobicContact CD1-CD1 4.2Å
315H85.6Confident81.4Confident70 Ų7070.7 Ų70.732%0.32436%0.356SS..Hα-helixtrans-70.2-32.5172.3-78.6-63.2000112.3R311 D312 L317 R318 Q319 F343R311-H315 WeakPolarHBondContact O-CB 3.41Å; R311-H315 PolarHBondContact O-CD2 2.91Å; R311-H315 PolarHBondContact O-N 2.83Å; D312-H315 PolarHBondContact O-N 3.45Å; H315-L317 VanDerWaalsContact C-N 3.31Å; H315-L317 PolarHBondContact O-N 3.19Å; H315-R318 WeakPolarHBondContact O-CB 3.4Å; H315-R318 PolarHBondContact O-N 3.27Å; H315-R318 VanDerWaalsContact O-N 3.14Å; H315-Q319 WeakPolarHBondContact O-CG 3.26Å; H315-Q319 PolarHBondContact O-N 3.29Å; H315-F343 AromaticContact ND1-CZ 3.87Å
316G86.6Confident80.3Confident15 Ų1572.1 Ų72.116%0.15537%0.366CS..Hα-helixtrans-59.7-39.5174.200000112.2D312 A313 L314 R318 Q319 A320D312-G316 PolarHBondContact O-N 3.31Å; A313-G316 PolarHBondContact O-N 2.81Å; L314-G316 VanDerWaalsContact C-N 3.35Å; G316-R318 VanDerWaalsContact C-N 3.31Å; G316-R318 PolarHBondContact O-N 3.29Å; G316-Q319 PolarHBondContact O-N 2.75Å; G316-A320 VanDerWaalsContact O-CB 3.28Å; G316-A320 WeakPolarHBondContact O-CB 3.21Å; G316-A320 PolarHBondContact O-N 2.72Å
317L88.6Confident78.9Confident0 Ų063.9 Ų63.90%034%0.335CS..Hα-helixtrans-57.9-43173.1-68.8174.2000112.5A313 L314 H315 A321 L368 M371 F372 A375 Y382A313-L317 PolarHBondContact O-N 3.49Å; A313-L317 VanDerWaalsContact O-N 3.11Å; L314-L317 HydrophobicContact CD1-CD1 4.32Å; H315-L317 VanDerWaalsContact C-N 3.31Å; H315-L317 PolarHBondContact O-N 3.19Å; L317-A321 PolarHBondContact O-N 3.27Å; L317-L368 HydrophobicContact CD1-CD1 3.73Å; L317-M371 HydrophobicContact CD1-CB 4.08Å; L317-M371 HydrophobicContact CD1-CE 3.92Å; L317-M371 HydrophobicContact CD2-CB 4.04Å; L317-F372 HydrophobicContact CD2-CB 4.38Å; L317-A375 HydrophobicContact CD2-CB 3.82Å; L317-Y382 PolarHBondContact O-OH 3Å
318R87.9Confident77.4Confident11 Ų1170.6 Ų70.64%0.04237%0.368CS..Hα-helixtrans-64.7-50.1177.2-175.3-16779.7120.3-5.3111.3H315 G316 A320 A321 F322 E327 C339 E342 F343 L346H315-R318 WeakPolarHBondContact O-CB 3.4Å; H315-R318 PolarHBondContact O-N 3.27Å; H315-R318 VanDerWaalsContact O-N 3.14Å; G316-R318 VanDerWaalsContact C-N 3.31Å; G316-R318 PolarHBondContact O-N 3.29Å; R318-A320 VanDerWaalsContact C-N 3.31Å; R318-A320 PolarHBondContact O-N 3.46Å; R318-A321 PolarHBondContact O-N 2.91Å; R318-A321 VanDerWaalsContact O-N 3.15Å; R318-F322 HydrophobicContact CG-CD2 4.21Å; R318-F322 PolarHBondContact O-N 3.07Å; R318-F322 VanDerWaalsContact O-N 3.17Å; R318-E327 IonicContact CZ-OE1 3.18Å; R318-E327 IonicContact CZ-OE2 2.78Å; R318-E327 IonicContact NH1-OE1 2.68Å; R318-E327 PolarHBondContact NH1-OE1 3.43Å; R318-E327 IonicContact NH1-OE2 2.68Å; R318-E327 IonicContact NH2-OE1 3.55Å; R318-E327 IonicContact NH2-OE2 2.88Å; R318-E327 PolarHBondContact NH2-OE2 2.88Å; R318-C339 VanDerWaalsContact CZ-SG 3.57Å; R318-C339 PolarHBondContact NH1-SG 3.28Å; R318-E342 WeakPolarHBondContact CD-OE2 3.48Å; R318-E342 HydrophobicContact CG-CB 3.94Å; R318-E342 VanDerWaalsContact CG-OE2 3.28Å; R318-E342 WeakPolarHBondContact CG-OE2 3.47Å; R318-E342 IonicContact CZ-OE2 3.71Å; R318-E342 IonicContact NE-OE2 3.64Å; R318-E342 PolarHBondContact NE-OE2 2.97Å; R318-E342 IonicContact NH1-OE2 3.57Å; R318-E342 PolarHBondContact NH1-OE2 3.22Å; R318-F343 HydrophobicContact CB-CE1 4.15Å; R318-F343 HydrophobicContact CB-CZ 4.22Å; R318-L346 HydrophobicContact CB-CD1 4.13Å; R318-L346 HydrophobicContact CG-CD1 4.44Å
319Q85.7Confident76.1Confident103 Ų10370.1 Ų70.148%0.48138%0.379SS..Hα-helixtrans-62.1-39.9-178.6-70.9176.45.400111.9H315 G316 A321 E323H315-Q319 WeakPolarHBondContact O-CG 3.26Å; H315-Q319 PolarHBondContact O-N 3.29Å; G316-Q319 PolarHBondContact O-N 2.75Å; Q319-A321 PolarHBondContact O-N 3.46Å; Q319-E323 PolarHBondContact O-N 3.42Å
320A86.3Confident74.9Confident41 Ų4165.1 Ų65.134%0.33936%0.357SS..Hα-helixtrans-63.5-26.1177.700000113.3G316 R318 A375 Y382 S383G316-A320 VanDerWaalsContact O-CB 3.28Å; G316-A320 WeakPolarHBondContact O-CB 3.21Å; G316-A320 PolarHBondContact O-N 2.72Å; R318-A320 VanDerWaalsContact C-N 3.31Å; R318-A320 PolarHBondContact O-N 3.46Å; A320-A375 HydrophobicContact CB-CB 4.31Å; A320-Y382 HydrophobicContact CB-CD1 4.25Å; A320-Y382 HydrophobicContact CB-CE1 3.79Å; A320-S383 PolarHBondContact O-OG 3.1Å
321A83.4Confident73.9Confident6 Ų666.7 Ų66.75%0.0537%0.371CS..Hα-helixtrans-93.6-31.9-177.300000114.5L317 R318 Q319 L346 Y382 V386L317-A321 PolarHBondContact O-N 3.27Å; R318-A321 PolarHBondContact O-N 2.91Å; R318-A321 VanDerWaalsContact O-N 3.15Å; Q319-A321 PolarHBondContact O-N 3.46Å; A321-L346 HydrophobicContact CB-CD2 4.33Å; A321-Y382 HydrophobicContact CB-CE1 3.74Å; A321-V386 HydrophobicContact CB-CB 4.21Å; A321-V386 HydrophobicContact CB-CG1 3.87Å; A321-V386 HydrophobicContact CB-CG2 4.39Å
322F81.8Confident73Confident42 Ų4267.6 Ų67.618%0.18438%0.383CS..Hα-helixtrans-121.54.4-164.7-61.6-61.5000116.4R318 E342 K345 L346 V386 L387R318-F322 HydrophobicContact CG-CD2 4.21Å; R318-F322 PolarHBondContact O-N 3.07Å; R318-F322 VanDerWaalsContact O-N 3.17Å; F322-E342 HydrophobicContact CD2-CB 3.82Å; F322-E342 HydrophobicContact CD2-CG 3.93Å; F322-E342 HydrophobicContact CE2-CB 3.86Å; F322-E342 HydrophobicContact CE2-CG 4.28Å; F322-E342 HydrophobicContact CG-CG 4.31Å; F322-K345 HydrophobicContact CE1-CB 4.38Å; F322-K345 HydrophobicContact CE1-CD 4.36Å; F322-K345 HydrophobicContact CE2-CB 4.4Å; F322-K345 HydrophobicContact CZ-CB 3.68Å; F322-K345 HydrophobicContact CZ-CD 4.39Å; F322-L346 HydrophobicContact CE2-CD1 4.01Å; F322-L346 HydrophobicContact CE2-CD2 4.44Å; F322-L346 HydrophobicContact CE2-CG 3.8Å; F322-L346 HydrophobicContact CZ-CG 4.35Å; F322-V386 HydrophobicContact CE1-CG1 4.08Å; F322-V386 HydrophobicContact CE2-CG1 4.37Å; F322-V386 HydrophobicContact CZ-CG1 3.65Å; F322-L387 HydrophobicContact CD1-CD2 4.25Å; F322-L387 HydrophobicContact CE1-CD2 4.23Å
323E67.2Low72Confident162 Ų16271.2 Ų71.276%0.75740%0.397SS*.  trans39.4118.9176.2-76.5-172.5169.800117.5Q319 D325Q319-E323 PolarHBondContact O-N 3.42Å; E323-D325 PolarHBondContact O-N 2.95Å
324T57.1Low71Confident59 Ų5978.7 Ų78.736%0.36242%0.421SS..  trans-100.938-157.9-25.30000114.6S326 E327T324-S326 PolarHBondContact O-N 3.31Å; T324-S326 VanDerWaalsContact O-N 3.08Å; T324-E327 HydrophobicContact CG2-CB 3.63Å; T324-E327 HydrophobicContact CG2-CG 3.42Å; T324-E327 VanDerWaalsContact CG2-CG 3.42Å
325D48.4Very low70.2Confident170 Ų17081.7 Ų81.791%0.90943%0.431SS*.THydrogen-bonded Turntrans-70.4-6.1-176.2-83.9-13.1000114.2E323E323-D325 PolarHBondContact O-N 2.95Å
326S52.3Low69.5Low86 Ų8687.7 Ų87.760%0.60145%0.451SS*.THydrogen-bonded Turntrans-124.4-2.1-171.953.30000116.7T324T324-S326 PolarHBondContact O-N 3.31Å; T324-S326 VanDerWaalsContact O-N 3.08Å
327E52.1Low69Low17 Ų1789.9 Ų89.98%0.07946%0.464CS..G310 helixtrans-78.9-19.9-173.9-72.1-152.4153.200115.5R318 T324 S329 L330 L338R318-E327 IonicContact CZ-OE1 3.18Å; R318-E327 IonicContact CZ-OE2 2.78Å; R318-E327 IonicContact NH1-OE1 2.68Å; R318-E327 PolarHBondContact NH1-OE1 3.43Å; R318-E327 IonicContact NH1-OE2 2.68Å; R318-E327 IonicContact NH2-OE1 3.55Å; R318-E327 IonicContact NH2-OE2 2.88Å; R318-E327 PolarHBondContact NH2-OE2 2.88Å; T324-E327 HydrophobicContact CG2-CB 3.63Å; T324-E327 HydrophobicContact CG2-CG 3.42Å; T324-E327 VanDerWaalsContact CG2-CG 3.42Å; E327-S329 PolarHBondContact O-N 3.45Å; E327-S329 VanDerWaalsContact O-N 3.14Å; E327-L330 HydrophobicContact CG-CD1 4.5Å; E327-L330 PolarHBondContact O-N 3.42Å; E327-L338 HydrophobicContact CG-CD2 4.16Å; E327-L338 VanDerWaalsContact OE1-CD2 3.26Å; E327-L338 WeakPolarHBondContact OE1-CD2 3.15Å
328N55.7Low68.5Low173 Ų17392.4 Ų92.493%0.92548%0.477SS*.G310 helixtrans-67.4-14.2-177.6-77.7-17.4000113.6
329S58.4Low68Low117 Ų11793 Ų9382%0.81848%0.483SS*.G310 helixtrans-101.52.4-179.5-53.90000114.2E327E327-S329 PolarHBondContact O-N 3.45Å; E327-S329 VanDerWaalsContact O-N 3.14Å
330L62.4Low67.8Low56 Ų5689.4 Ų89.429%0.29347%0.47SS..SBendtrans-97.1142-175.2-61.1175.9000113.2E327 R335 L338E327-L330 HydrophobicContact CG-CD1 4.5Å; E327-L330 PolarHBondContact O-N 3.42Å; L330-R335 PolarHBondContact O-NH2 3.46Å; L330-L338 HydrophobicContact CD1-CD2 3.8Å
331S66.9Low67.6Low62 Ų6293.7 Ų93.743%0.43448%0.481SS..  trans-62.8154.1173.267.10000112E333 R334 R335S331-E333 VanDerWaalsContact C-N 3.27Å; S331-E333 PolarHBondContact O-N 2.97Å; S331-R334 PolarHBondContact O-N 3.41Å; S331-R334 VanDerWaalsContact O-N 3.12Å; S331-R334 WeakPolarHBondContact OG-CG 3.44Å; S331-R335 PolarHBondContact O-N 3.02Å
332N65.9Low67.6Low110 Ų11094.7 Ų94.759%0.58849%0.485SS*.Hα-helixtrans-55-38-176.3-82.3-45.5000113.8R335 R336N332-R335 PolarHBondContact OD1-NH1 3.49Å; N332-R335 PolarHBondContact OD1-NH2 3.39Å; N332-R336 WeakPolarHBondContact O-CG 3.4Å; N332-R336 PolarHBondContact O-N 2.72Å; N332-R336 VanDerWaalsContact O-N 3.15Å
333E64.1Low67.8Low163 Ų16393.1 Ų93.176%0.76248%0.478SS*.Hα-helixtrans-72.3-41.1178.3-68.4179.9164.900112.6S331 R335 R336 S337S331-E333 VanDerWaalsContact C-N 3.27Å; S331-E333 PolarHBondContact O-N 2.97Å; E333-R335 VanDerWaalsContact C-N 3.32Å; E333-R335 PolarHBondContact O-N 2.66Å; E333-R336 PolarHBondContact O-N 3.19Å; E333-S337 PolarHBondContact O-N 2.81Å
334R68.4Low68.7Low178 Ų17891.6 Ų91.667%0.67247%0.469SS*.Hα-helixtrans-65.7-37.2176.6-73.5-179.1-179.2-179.30.7111.4S331 S337 L338S331-R334 PolarHBondContact O-N 3.41Å; S331-R334 VanDerWaalsContact O-N 3.12Å; S331-R334 WeakPolarHBondContact OG-CG 3.44Å; R334-S337 PolarHBondContact O-N 3.36Å; R334-L338 WeakPolarHBondContact O-CB 3.47Å; R334-L338 PolarHBondContact O-N 3.05Å
335R68.9Low70Confident75 Ų7594.1 Ų94.128%0.28348%0.475SS..Hα-helixtrans-65.3-45.1175.8-151.8-176.2-40.199.68.7112.1L330 S331 N332 E333 S337 L338 C339L330-R335 PolarHBondContact O-NH2 3.46Å; S331-R335 PolarHBondContact O-N 3.02Å; N332-R335 PolarHBondContact OD1-NH1 3.49Å; N332-R335 PolarHBondContact OD1-NH2 3.39Å; E333-R335 VanDerWaalsContact C-N 3.32Å; E333-R335 PolarHBondContact O-N 2.66Å; R335-S337 VanDerWaalsContact C-N 3.34Å; R335-S337 PolarHBondContact O-N 2.99Å; R335-L338 PolarHBondContact O-N 3.24Å; R335-C339 PolarHBondContact O-N 3.09Å; R335-C339 PolarHBondContact O-SG 3.01Å
336R70.6Confident71.8Confident196 Ų19686.1 Ų86.174%0.7443%0.432SS*.Hα-helixtrans-60.8-41.8174.7-75.4179.9-178.5177.80.8112.4N332 E333 A340N332-R336 WeakPolarHBondContact O-CG 3.4Å; N332-R336 PolarHBondContact O-N 2.72Å; N332-R336 VanDerWaalsContact O-N 3.15Å; E333-R336 PolarHBondContact O-N 3.19Å; R336-A340 PolarHBondContact O-N 3.45Å; R336-A340 VanDerWaalsContact O-N 3.1Å
337S76.3Confident73.4Confident60 Ų6082.6 Ų82.642%0.4241%0.41SS..Hα-helixtrans-66-37.1176179.30000112.5E333 R334 R335 K341E333-S337 PolarHBondContact O-N 2.81Å; R334-S337 PolarHBondContact O-N 3.36Å; R335-S337 VanDerWaalsContact C-N 3.34Å; R335-S337 PolarHBondContact O-N 2.99Å; S337-K341 WeakPolarHBondContact O-CG 3.22Å; S337-K341 PolarHBondContact O-N 2.91Å
338L79.1Confident75Confident54 Ų5482.1 Ų82.128%0.28341%0.407SS..Hα-helixtrans-66.8-48.3175.9-175.860.2000111.3E327 L330 R334 R335 A340 K341 E342E327-L338 HydrophobicContact CG-CD2 4.16Å; E327-L338 VanDerWaalsContact OE1-CD2 3.26Å; E327-L338 WeakPolarHBondContact OE1-CD2 3.15Å; L330-L338 HydrophobicContact CD1-CD2 3.8Å; R334-L338 WeakPolarHBondContact O-CB 3.47Å; R334-L338 PolarHBondContact O-N 3.05Å; R335-L338 PolarHBondContact O-N 3.24Å; L338-A340 VanDerWaalsContact C-N 3.31Å; L338-A340 PolarHBondContact O-N 3.44Å; L338-K341 WeakPolarHBondContact O-CB 2.95Å; L338-K341 PolarHBondContact O-N 2.92Å; L338-E342 HydrophobicContact CD1-CG 4.49Å; L338-E342 WeakPolarHBondContact O-CG 3.37Å; L338-E342 PolarHBondContact O-N 3.44Å
339C77.7Confident76.3Confident23 Ų2377.8 Ų77.816%0.15539%0.391CS..Hα-helixtrans-52.3-48.2174.2-67.70000111.8R318 R335 K341 E342 F343R318-C339 VanDerWaalsContact CZ-SG 3.57Å; R318-C339 PolarHBondContact NH1-SG 3.28Å; R335-C339 PolarHBondContact O-N 3.09Å; R335-C339 PolarHBondContact O-SG 3.01Å; C339-K341 VanDerWaalsContact C-N 3.31Å; C339-K341 PolarHBondContact O-N 3.22Å; C339-E342 PolarHBondContact O-N 3.41Å; C339-F343 HydrophobicContact CB-CD2 4.48Å; C339-F343 HydrophobicContact CB-CE2 4.42Å; C339-F343 WeakPolarHBondContact O-CD2 3.3Å; C339-F343 PolarHBondContact O-N 3.43Å
340A79.8Confident77.4Confident27 Ų2774 Ų7422%0.22336%0.361CS..Hα-helixtrans-64.2-35.3-179.400000112.7R336 L338 K344 N351R336-A340 PolarHBondContact O-N 3.45Å; R336-A340 VanDerWaalsContact O-N 3.1Å; L338-A340 VanDerWaalsContact C-N 3.31Å; L338-A340 PolarHBondContact O-N 3.44Å; A340-K344 PolarHBondContact O-N 3.4Å; A340-K344 VanDerWaalsContact O-N 3.07Å; A340-N351 WeakPolarHBondContact CA-O 3.17Å; A340-N351 WeakPolarHBondContact CB-O 3.07Å
341K83.1Confident78.1Confident131 Ų13173.7 Ų73.757%0.5736%0.36SS*.Hα-helixtrans-68.8-37.9174.7-73.5174.9-178.8-178.40112S337 L338 C339 K344 K345S337-K341 WeakPolarHBondContact O-CG 3.22Å; S337-K341 PolarHBondContact O-N 2.91Å; L338-K341 WeakPolarHBondContact O-CB 2.95Å; L338-K341 PolarHBondContact O-N 2.92Å; C339-K341 VanDerWaalsContact C-N 3.31Å; C339-K341 PolarHBondContact O-N 3.22Å; K341-K344 WeakPolarHBondContact O-CB 3.41Å; K341-K344 PolarHBondContact O-N 3.25Å; K341-K345 WeakPolarHBondContact O-CG 3.45Å; K341-K345 PolarHBondContact O-N 3.02Å
342E84.4Confident78.4Confident28 Ų2876 Ų7613%0.13138%0.376CS..Hα-helixtrans-72.3-38.5178.4-71.5174.617500112.3R318 F322 L338 C339 K344 K345 L346R318-E342 WeakPolarHBondContact CD-OE2 3.48Å; R318-E342 HydrophobicContact CG-CB 3.94Å; R318-E342 VanDerWaalsContact CG-OE2 3.28Å; R318-E342 WeakPolarHBondContact CG-OE2 3.47Å; R318-E342 IonicContact CZ-OE2 3.71Å; R318-E342 IonicContact NE-OE2 3.64Å; R318-E342 PolarHBondContact NE-OE2 2.97Å; R318-E342 IonicContact NH1-OE2 3.57Å; R318-E342 PolarHBondContact NH1-OE2 3.22Å; F322-E342 HydrophobicContact CD2-CB 3.82Å; F322-E342 HydrophobicContact CD2-CG 3.93Å; F322-E342 HydrophobicContact CE2-CB 3.86Å; F322-E342 HydrophobicContact CE2-CG 4.28Å; F322-E342 HydrophobicContact CG-CG 4.31Å; L338-E342 HydrophobicContact CD1-CG 4.49Å; L338-E342 WeakPolarHBondContact O-CG 3.37Å; L338-E342 PolarHBondContact O-N 3.44Å; C339-E342 PolarHBondContact O-N 3.41Å; E342-K344 VanDerWaalsContact C-N 3.28Å; E342-K344 PolarHBondContact O-N 3.45Å; E342-K345 CarbonylContact O-C 3.56Å; E342-K345 WeakPolarHBondContact O-CB 3.28Å; E342-K345 PolarHBondContact O-N 3.29Å; E342-K345 VanDerWaalsContact O-N 3.12Å; E342-L346 PolarHBondContact O-N 3.02Å
343F85.1Confident79.1Confident8 Ų873.7 Ų73.74%0.03536%0.364CS..Hα-helixtrans-64.2-34.4170.7-75-60.7000112.3L314 H315 R318 C339 L346 G347 F348 P354L314-F343 HydrophobicContact CD1-CE1 4.39Å; L314-F343 HydrophobicContact CG-CE1 4.21Å; L314-F343 HydrophobicContact CG-CZ 4.45Å; H315-F343 AromaticContact ND1-CZ 3.87Å; R318-F343 HydrophobicContact CB-CE1 4.15Å; R318-F343 HydrophobicContact CB-CZ 4.22Å; C339-F343 HydrophobicContact CB-CD2 4.48Å; C339-F343 HydrophobicContact CB-CE2 4.42Å; C339-F343 WeakPolarHBondContact O-CD2 3.3Å; C339-F343 PolarHBondContact O-N 3.43Å; F343-L346 HydrophobicContact CD1-CD1 3.96Å; F343-L346 HydrophobicContact CE1-CD1 4.39Å; F343-L346 PolarHBondContact O-N 3.37Å; F343-G347 PolarHBondContact O-N 3.46Å; F343-F348 HydrophobicContact CB-CD2 4.27Å; F343-F348 AromaticContact CD1-CD2 3.81Å; F343-F348 HydrophobicContact CD1-CD2 3.81Å; F343-F348 AromaticContact CD1-CE2 3.81Å; F343-F348 HydrophobicContact CD1-CE2 3.81Å; F343-F348 HydrophobicContact CE1-CE2 4.35Å; F343-F348 PolarHBondContact O-N 3.23Å; F343-P354 HydrophobicContact CB-CG 4.45Å; F343-P354 HydrophobicContact CD1-CB 4.02Å; F343-P354 HydrophobicContact CD1-CG 3.78Å; F343-P354 HydrophobicContact CD2-CG 3.91Å; F343-P354 HydrophobicContact CE1-CB 4.41Å; F343-P354 HydrophobicContact CE1-CG 3.88Å; F343-P354 HydrophobicContact CE2-CG 4.01Å; F343-P354 HydrophobicContact CG-CB 4.24Å; F343-P354 HydrophobicContact CG-CG 3.8Å; F343-P354 HydrophobicContact CZ-CG 4Å
344K85.2Confident79.8Confident131 Ų13166.4 Ų66.457%0.5733%0.331SS*.Hα-helixtrans-61.2-46.2168.9-169.8-178177.6-173.90111.6A340 K341 E342 L346 G347 N351A340-K344 PolarHBondContact O-N 3.4Å; A340-K344 VanDerWaalsContact O-N 3.07Å; K341-K344 WeakPolarHBondContact O-CB 3.41Å; K341-K344 PolarHBondContact O-N 3.25Å; E342-K344 VanDerWaalsContact C-N 3.28Å; E342-K344 PolarHBondContact O-N 3.45Å; K344-L346 VanDerWaalsContact C-N 3.27Å; K344-L346 PolarHBondContact O-N 3.47Å; K344-G347 WeakPolarHBondContact O-CA 3.42Å; K344-G347 PolarHBondContact O-N 2.89Å; K344-N351 VanDerWaalsContact CA-OD1 3.27Å; K344-N351 WeakPolarHBondContact CA-OD1 3.33Å; K344-N351 HydrophobicContact CB-CB 4.32Å; K344-N351 VanDerWaalsContact CB-OD1 3.3Å; K344-N351 WeakPolarHBondContact CB-OD1 3.27Å
345K84.8Confident80.4Confident112 Ų11258.1 Ų58.149%0.48730%0.3SS..Hα-helixtrans-64.5-28.2177.5-76.1-177.6174.5-168.50113.6F322 K341 E342 G347F322-K345 HydrophobicContact CE1-CB 4.38Å; F322-K345 HydrophobicContact CE1-CD 4.36Å; F322-K345 HydrophobicContact CE2-CB 4.4Å; F322-K345 HydrophobicContact CZ-CB 3.68Å; F322-K345 HydrophobicContact CZ-CD 4.39Å; K341-K345 WeakPolarHBondContact O-CG 3.45Å; K341-K345 PolarHBondContact O-N 3.02Å; E342-K345 CarbonylContact O-C 3.56Å; E342-K345 WeakPolarHBondContact O-CB 3.28Å; E342-K345 PolarHBondContact O-N 3.29Å; E342-K345 VanDerWaalsContact O-N 3.12Å; K345-G347 PolarHBondContact O-N 3.21Å
346L86.4Confident81.2Confident1 Ų160 Ų601%0.00531%0.312CS..THydrogen-bonded Turntrans-72.3-10.1169.9-79.4155.8000113R318 A321 F322 E342 F343 K344 F348 Y382 V386 F400 A401R318-L346 HydrophobicContact CB-CD1 4.13Å; R318-L346 HydrophobicContact CG-CD1 4.44Å; A321-L346 HydrophobicContact CB-CD2 4.33Å; F322-L346 HydrophobicContact CE2-CD1 4.01Å; F322-L346 HydrophobicContact CE2-CD2 4.44Å; F322-L346 HydrophobicContact CE2-CG 3.8Å; F322-L346 HydrophobicContact CZ-CG 4.35Å; E342-L346 PolarHBondContact O-N 3.02Å; F343-L346 HydrophobicContact CD1-CD1 3.96Å; F343-L346 HydrophobicContact CE1-CD1 4.39Å; F343-L346 PolarHBondContact O-N 3.37Å; K344-L346 VanDerWaalsContact C-N 3.27Å; K344-L346 PolarHBondContact O-N 3.47Å; L346-F348 HydrophobicContact CB-CD2 3.88Å; L346-F348 HydrophobicContact CB-CE2 4.03Å; L346-F348 HydrophobicContact CD1-CE2 4.42Å; L346-Y382 VanDerWaalsContact CD2-OH 3.31Å; L346-Y382 WeakPolarHBondContact CD2-OH 3.34Å; L346-V386 HydrophobicContact CD2-CG1 3.92Å; L346-V386 HydrophobicContact CD2-CG2 4.01Å; L346-F400 HydrophobicContact CD2-CD1 4.29Å; L346-F400 WeakPolarHBondContact O-CB 3.25Å; L346-F400 PolarHBondContact O-N 3.41Å; L346-A401 PolarHBondContact O-N 3.23Å
347G85.3Confident81.8Confident13 Ų1352 Ų5213%0.13428%0.284CS..THydrogen-bonded Turntrans80.828.3178.600000114.2F343 K344 K345 R402F343-G347 PolarHBondContact O-N 3.46Å; K344-G347 WeakPolarHBondContact O-CA 3.42Å; K344-G347 PolarHBondContact O-N 2.89Å; K345-G347 PolarHBondContact O-N 3.21Å; G347-R402 PolarHBondContact O-N 3.28Å
348F87.7Confident82.2Confident7 Ų749.2 Ų49.23%0.03127%0.265CS..  trans-73.6144164.5-74-84.1000110L314 F343 L346 N351 P354 D357 L358 M371 A401L314-F348 HydrophobicContact CD1-CE1 4.14Å; L314-F348 HydrophobicContact CD1-CE2 4.33Å; L314-F348 HydrophobicContact CD1-CZ 3.6Å; F343-F348 HydrophobicContact CB-CD2 4.27Å; F343-F348 AromaticContact CD1-CD2 3.81Å; F343-F348 HydrophobicContact CD1-CD2 3.81Å; F343-F348 AromaticContact CD1-CE2 3.81Å; F343-F348 HydrophobicContact CD1-CE2 3.81Å; F343-F348 HydrophobicContact CE1-CE2 4.35Å; F343-F348 PolarHBondContact O-N 3.23Å; L346-F348 HydrophobicContact CB-CD2 3.88Å; L346-F348 HydrophobicContact CB-CE2 4.03Å; L346-F348 HydrophobicContact CD1-CE2 4.42Å; F348-N351 PolarHBondContact O-OD1 3.32Å; F348-P354 HydrophobicContact CB-CB 4.15Å; F348-P354 HydrophobicContact CD1-CB 3.58Å; F348-P354 HydrophobicContact CD2-CB 3.99Å; F348-P354 HydrophobicContact CE1-CB 3.89Å; F348-P354 HydrophobicContact CE2-CB 4.27Å; F348-P354 HydrophobicContact CG-CB 3.63Å; F348-P354 HydrophobicContact CZ-CB 4.23Å; F348-D357 HydrophobicContact CD1-CB 4.32Å; F348-L358 HydrophobicContact CE1-CD1 4.38Å; F348-M371 HydrophobicContact CZ-CE 4.07Å; F348-A401 HydrophobicContact CB-CB 4.45Å; F348-A401 HydrophobicContact CD1-CB 3.63Å; F348-A401 HydrophobicContact CD2-CB 3.63Å; F348-A401 HydrophobicContact CE1-CB 3.63Å; F348-A401 HydrophobicContact CE2-CB 3.63Å; F348-A401 HydrophobicContact CG-CB 3.63Å; F348-A401 HydrophobicContact CZ-CB 3.63Å
349S82.8Confident82.6Confident82 Ų8250.4 Ų50.457%0.57327%0.274SS*.SBendtrans-75.6-42.3178.3-39.80000110.2D357S349-D357 WeakPolarHBondContact CA-OD2 3.37Å; S349-D357 WeakPolarHBondContact CB-OD2 3.45Å; S349-D357 PolarHBondContact N-OD2 2.68Å; S349-D357 PolarHBondContact OG-OD2 2.5Å
350N80.7Confident83Confident38 Ų3857.4 Ų57.420%0.20330%0.297CS..  trans-96.397.7173.5-167.3-21.4000112.4S352 N353 P354 Q356 D357N350-S352 VanDerWaalsContact C-N 3.32Å; N350-S352 PolarHBondContact O-N 2.98Å; N350-S352 PolarHBondContact OD1-N 2.98Å; N350-S352 VanDerWaalsContact OD1-N 3.15Å; N350-N353 WeakPolarHBondContact CB-O 3.46Å; N350-N353 CarbonylContact O-C 3.53Å; N350-N353 VanDerWaalsContact O-C 3.26Å; N350-N353 PolarHBondContact O-N 3.13Å; N350-N353 PolarHBondContact OD1-N 2.81Å; N350-P354 VanDerWaalsContact O-CA 3.29Å; N350-P354 WeakPolarHBondContact O-CA 3.34Å; N350-P354 VanDerWaalsContact O-N 3.1Å; N350-Q356 HydrophobicContact CB-CB 4.44Å; N350-Q356 PolarHBondContact ND2-OE1 3.07Å; N350-D357 PolarHBondContact N-OD1 2.83Å
351N76.8Confident83.3Confident49 Ų4959.1 Ų59.126%0.26231%0.305SS..SBendtrans-67.8-28.9-177.9-56.3-28.5000113.9A340 K344 F348A340-N351 WeakPolarHBondContact CA-O 3.17Å; A340-N351 WeakPolarHBondContact CB-O 3.07Å; K344-N351 VanDerWaalsContact CA-OD1 3.27Å; K344-N351 WeakPolarHBondContact CA-OD1 3.33Å; K344-N351 HydrophobicContact CB-CB 4.32Å; K344-N351 VanDerWaalsContact CB-OD1 3.3Å; K344-N351 WeakPolarHBondContact CB-OD1 3.27Å; F348-N351 PolarHBondContact O-OD1 3.32Å
352S74.2Confident83.5Confident111 Ų11155.6 Ų55.678%0.77630%0.295SS*.SBendtrans-88.1-27.3-177.5-59.80000112.1N350N350-S352 VanDerWaalsContact C-N 3.32Å; N350-S352 PolarHBondContact O-N 2.98Å; N350-S352 PolarHBondContact OD1-N 2.98Å; N350-S352 VanDerWaalsContact OD1-N 3.15Å
353N79.1Confident83.7Confident61 Ų6154.3 Ų54.333%0.32629%0.289SS..  trans-142.581.3174.5-171.3-0.7000110.7N350 G355 Q356N350-N353 WeakPolarHBondContact CB-O 3.46Å; N350-N353 CarbonylContact O-C 3.53Å; N350-N353 VanDerWaalsContact O-C 3.26Å; N350-N353 PolarHBondContact O-N 3.13Å; N350-N353 PolarHBondContact OD1-N 2.81Å; N353-G355 PolarHBondContact O-N 3.34Å; N353-G355 PolarHBondContact OD1-N 3.19Å; N353-Q356 HydrophobicContact CB-CG 4.28Å; N353-Q356 PolarHBondContact O-N 3.4Å
354P79.4Confident84Confident10 Ų1054 Ų547%0.06529%0.288CS..G310 helixtrans-60.3-19.1-179.122.3-33.5000113.3L314 F343 F348 N350 Q356 D357L314-P354 HydrophobicContact CD1-CB 4.46Å; L314-P354 HydrophobicContact CD2-CB 4.2Å; L314-P354 HydrophobicContact CD2-CG 3.81Å; L314-P354 HydrophobicContact CG-CG 4.35Å; F343-P354 HydrophobicContact CB-CG 4.45Å; F343-P354 HydrophobicContact CD1-CB 4.02Å; F343-P354 HydrophobicContact CD1-CG 3.78Å; F343-P354 HydrophobicContact CD2-CG 3.91Å; F343-P354 HydrophobicContact CE1-CB 4.41Å; F343-P354 HydrophobicContact CE1-CG 3.88Å; F343-P354 HydrophobicContact CE2-CG 4.01Å; F343-P354 HydrophobicContact CG-CB 4.24Å; F343-P354 HydrophobicContact CG-CG 3.8Å; F343-P354 HydrophobicContact CZ-CG 4Å; F348-P354 HydrophobicContact CB-CB 4.15Å; F348-P354 HydrophobicContact CD1-CB 3.58Å; F348-P354 HydrophobicContact CD2-CB 3.99Å; F348-P354 HydrophobicContact CE1-CB 3.89Å; F348-P354 HydrophobicContact CE2-CB 4.27Å; F348-P354 HydrophobicContact CG-CB 3.63Å; F348-P354 HydrophobicContact CZ-CB 4.23Å; N350-P354 VanDerWaalsContact O-CA 3.29Å; N350-P354 WeakPolarHBondContact O-CA 3.34Å; N350-P354 VanDerWaalsContact O-N 3.1Å; P354-Q356 PolarHBondContact O-N 2.79Å; P354-D357 PolarHBondContact O-N 2.88Å
355G81.2Confident84.3Confident3 Ų347.8 Ų47.83%0.03126%0.261CS..G310 helixtrans-62.1-27.4174.600000113.9N353 D357 L358 V359N353-G355 PolarHBondContact O-N 3.34Å; N353-G355 PolarHBondContact OD1-N 3.19Å; G355-D357 VanDerWaalsContact C-N 3.3Å; G355-D357 PolarHBondContact O-N 2.72Å; G355-L358 CarbonylContact O-C 3.59Å; G355-L358 PolarHBondContact O-N 3.27Å; G355-V359 WeakPolarHBondContact O-CG2 3.35Å; G355-V359 PolarHBondContact O-N 2.9Å
356Q84.9Confident84.7Confident114 Ų11442.7 Ų42.753%0.53324%0.239SC..G310 helixtrans-63.1-34.9-179.9-72.4-169.2-1.300113.1N350 N353 P354 L358 V359N350-Q356 HydrophobicContact CB-CB 4.44Å; N350-Q356 PolarHBondContact ND2-OE1 3.07Å; N353-Q356 HydrophobicContact CB-CG 4.28Å; N353-Q356 PolarHBondContact O-N 3.4Å; P354-Q356 PolarHBondContact O-N 2.79Å; Q356-L358 PolarHBondContact O-N 3.46Å; Q356-V359 WeakPolarHBondContact O-CB 3.17Å; Q356-V359 PolarHBondContact O-N 2.84Å
357D83.3Confident85.1Confident29 Ų2942.6 Ų42.616%0.15524%0.239CC..G310 helixtrans-65-25.5176.9-69.732.1000111.4F348 S349 N350 P354 G355 I405F348-D357 HydrophobicContact CD1-CB 4.32Å; S349-D357 WeakPolarHBondContact CA-OD2 3.37Å; S349-D357 WeakPolarHBondContact CB-OD2 3.45Å; S349-D357 PolarHBondContact N-OD2 2.68Å; S349-D357 PolarHBondContact OG-OD2 2.5Å; N350-D357 PolarHBondContact N-OD1 2.83Å; P354-D357 PolarHBondContact O-N 2.88Å; G355-D357 VanDerWaalsContact C-N 3.3Å; G355-D357 PolarHBondContact O-N 2.72Å; D357-I405 HydrophobicContact CB-CD1 3.89Å
358L85.8Confident85.5Confident2 Ų242.1 Ų42.11%0.0123%0.233CC..G310 helixtrans-97.51.6-179.6-64.9165.8000113.4L303 L314 F348 G355 Q356 R360 A367 L368 I405L303-L358 HydrophobicContact CB-CB 3.74Å; L303-L358 HydrophobicContact CD1-CB 3.85Å; L303-L358 HydrophobicContact CD1-CD1 3.51Å; L303-L358 HydrophobicContact CD1-CG 4.32Å; L303-L358 HydrophobicContact CG-CB 4.44Å; L303-L358 PolarHBondContact N-O 3.16Å; L314-L358 HydrophobicContact CD1-CD1 4.18Å; F348-L358 HydrophobicContact CE1-CD1 4.38Å; G355-L358 CarbonylContact O-C 3.59Å; G355-L358 PolarHBondContact O-N 3.27Å; Q356-L358 PolarHBondContact O-N 3.46Å; L358-R360 VanDerWaalsContact C-N 3.33Å; L358-A367 HydrophobicContact CD2-CB 3.81Å; L358-L368 HydrophobicContact CD1-CB 4.25Å; L358-L368 HydrophobicContact CD1-CD1 4.29Å; L358-I405 HydrophobicContact CD2-CD1 3.88Å; L358-I405 HydrophobicContact CD2-CG1 3.84Å; L358-I405 HydrophobicContact CG-CD1 4.35Å
359V87Confident85.8Confident78 Ų7844.2 Ų44.247%0.47325%0.245SC..THydrogen-bonded Turntrans-75-26.9170.4173.60000110.8P302 G355 Q356 T361P302-V359 HydrophobicContact CB-CG1 4.25Å; P302-V359 WeakPolarHBondContact CB-O 3.29Å; G355-V359 WeakPolarHBondContact O-CG2 3.35Å; G355-V359 PolarHBondContact O-N 2.9Å; Q356-V359 WeakPolarHBondContact O-CB 3.17Å; Q356-V359 PolarHBondContact O-N 2.84Å; V359-T361 PolarHBondContact O-N 3.12Å
360R86.4Confident86.4Confident171 Ų17140.4 Ų40.465%0.64522%0.218SC*.SBendtrans-68.6122179.2-175-179.4175.2-167-3110.6L358 G364L358-R360 VanDerWaalsContact C-N 3.33Å; R360-G364 PolarHBondContact O-N 2.91Å; R360-G364 VanDerWaalsContact O-N 3.08Å
361T86.7Confident87Confident63 Ų6338.6 Ų38.639%0.38721%0.208SC..THydrogen-bonded Turntrans-118.5134.6176.753.40000110.1R300 P302 V359R300-T361 VanDerWaalsContact O-CG2 3.3Å; R300-T361 WeakPolarHBondContact O-CG2 3.31Å; P302-T361 HydrophobicContact CB-CG2 4.2Å; V359-T361 PolarHBondContact O-N 3.12Å
362P86.1Confident87.9Confident56 Ų5640 Ų4036%0.36421%0.212SC..THydrogen-bonded Turncis-68.8158.5-12.231.2-36000112.8M299 L409M299-P362 HydrophobicContact CG-CB 3.71Å; M299-P362 HydrophobicContact SD-CB 3.95Å; P362-L409 HydrophobicContact CB-CD1 3.77Å; P362-L409 HydrophobicContact CG-CD1 3.52Å
363P89.4Confident88.9Confident2 Ų236.2 Ų36.21%0.01318%0.181CC..THydrogen-bonded Turncis-97.70.2439.8-38.9000115.4M299 L365 L366 A367 I405 T408M299-P363 CarbonylContact C-O 3.55Å; M299-P363 VanDerWaalsContact CA-O 3.32Å; M299-P363 WeakPolarHBondContact CA-O 3.47Å; M299-P363 CarbonylContact O-C 3.56Å; M299-P363 VanDerWaalsContact O-O 3.13Å; P363-L365 PolarHBondContact O-N 3Å; P363-L366 VanDerWaalsContact O-CB 3.3Å; P363-L366 WeakPolarHBondContact O-CB 3.46Å; P363-L366 PolarHBondContact O-N 3.43Å; P363-L366 VanDerWaalsContact O-N 3.14Å; P363-A367 HydrophobicContact CB-CB 4.41Å; P363-A367 HydrophobicContact CG-CB 3.7Å; P363-I405 HydrophobicContact CG-CG2 3.94Å; P363-I405 WeakPolarHBondContact CG-O 3.4Å; P363-T408 HydrophobicContact CB-CG2 3.8Å; P363-T408 HydrophobicContact CG-CG2 4.34Å
364G90.2Very high89.7Confident1 Ų133.3 Ų33.31%0.0117%0.166CC..THydrogen-bonded Turntrans53.6-133.6174.700000114.7T301 R360 L366 A367T301-G364 WeakPolarHBondContact O-CA 3.49Å; R360-G364 PolarHBondContact O-N 2.91Å; R360-G364 VanDerWaalsContact O-N 3.08Å; G364-L366 PolarHBondContact O-N 3.23Å; G364-A367 PolarHBondContact O-N 3.32Å
365L92Very high90.4Very high1 Ų133 Ų331%0.00516%0.164CC..Hα-helixtrans-62.6-24.1179.5-74.8-179.8000114.2R298 T301 L303 Q310 P363 A367 L368 D369R298-L365 VanDerWaalsContact NH1-CD1 3.33Å; R298-L365 PolarHBondContact O-N 3.32Å; T301-L365 HydrophobicContact CG2-CD1 3.48Å; T301-L365 VanDerWaalsContact CG2-CD1 3.48Å; T301-L365 HydrophobicContact CG2-CG 4.27Å; T301-L365 WeakPolarHBondContact O-CG 3.09Å; T301-L365 PolarHBondContact O-N 3.14Å; L303-L365 HydrophobicContact CB-CD2 3.98Å; L303-L365 HydrophobicContact CD1-CD2 4.46Å; L303-L365 HydrophobicContact CG-CD2 4.17Å; Q310-L365 HydrophobicContact CG-CD2 4.21Å; P363-L365 PolarHBondContact O-N 3Å; L365-A367 PolarHBondContact O-N 3.13Å; L365-L368 HydrophobicContact CD2-CD2 4.37Å; L365-L368 WeakPolarHBondContact O-CB 3.22Å; L365-L368 PolarHBondContact O-N 3.27Å; L365-D369 PolarHBondContact O-N 3.04Å
366L93.4Very high90.9Very high4 Ų436.8 Ų36.82%0.02119%0.187CC..Hα-helixtrans-64-29.9178.9-16960000112.2L295 R298 M299 P363 G364 D369 T370 T408 L439L295-L366 HydrophobicContact CB-CD1 4.47Å; L295-L366 HydrophobicContact CB-CD2 4.35Å; R298-L366 HydrophobicContact CB-CB 4.41Å; R298-L366 HydrophobicContact CB-CD1 4.35Å; M299-L366 HydrophobicContact CB-CB 4.46Å; M299-L366 HydrophobicContact CB-CD2 3.94Å; M299-L366 HydrophobicContact CG-CD2 4.31Å; P363-L366 VanDerWaalsContact O-CB 3.3Å; P363-L366 WeakPolarHBondContact O-CB 3.46Å; P363-L366 PolarHBondContact O-N 3.43Å; P363-L366 VanDerWaalsContact O-N 3.14Å; G364-L366 PolarHBondContact O-N 3.23Å; L366-D369 PolarHBondContact O-N 2.98Å; L366-T370 WeakPolarHBondContact O-CB 3.49Å; L366-T370 WeakPolarHBondContact O-CG2 3.48Å; L366-T370 PolarHBondContact O-N 3.43Å; L366-T370 PolarHBondContact O-OG1 3.22Å; L366-T408 HydrophobicContact CB-CG2 4.39Å; L366-T408 HydrophobicContact CD2-CG2 4.36Å; L366-T408 HydrophobicContact CG-CG2 4.03Å; L366-L439 HydrophobicContact CD1-CD2 3.78Å; L366-L439 HydrophobicContact CD2-CD2 3.67Å; L366-L439 HydrophobicContact CG-CD2 3.86Å
367A94.3Very high91.3Very high0 Ų038.5 Ų38.50%019%0.188CC..Hα-helixtrans-66.7-39.5171.800000112L358 P363 G364 L365 T370 M371 I405L358-A367 HydrophobicContact CD2-CB 3.81Å; P363-A367 HydrophobicContact CB-CB 4.41Å; P363-A367 HydrophobicContact CG-CB 3.7Å; G364-A367 PolarHBondContact O-N 3.32Å; L365-A367 PolarHBondContact O-N 3.13Å; A367-T370 WeakPolarHBondContact CA-OG1 3.3Å; A367-T370 PolarHBondContact O-OG1 2.68Å; A367-M371 WeakPolarHBondContact O-CB 3.47Å; A367-M371 WeakPolarHBondContact O-CG 3.28Å; A367-M371 PolarHBondContact O-N 2.76Å; A367-I405 HydrophobicContact CB-CB 4.37Å; A367-I405 HydrophobicContact CB-CG1 3.94Å
368L93.4Very high91.8Very high3 Ų341.1 Ų41.12%0.01620%0.196CC..Hα-helixtrans-64.7-43.3175.6-178.461.6000111L303 A313 L314 L317 L358 L365 M371 F372L303-L368 HydrophobicContact CD1-CD2 3.89Å; A313-L368 HydrophobicContact CB-CD2 4.18Å; A313-L368 HydrophobicContact CB-CG 4.44Å; L314-L368 HydrophobicContact CB-CD1 4.37Å; L314-L368 HydrophobicContact CD1-CD1 4.2Å; L317-L368 HydrophobicContact CD1-CD1 3.73Å; L358-L368 HydrophobicContact CD1-CB 4.25Å; L358-L368 HydrophobicContact CD1-CD1 4.29Å; L365-L368 HydrophobicContact CD2-CD2 4.37Å; L365-L368 WeakPolarHBondContact O-CB 3.22Å; L365-L368 PolarHBondContact O-N 3.27Å; L368-M371 PolarHBondContact O-N 3.42Å; L368-F372 VanDerWaalsContact O-CB 3.24Å; L368-F372 WeakPolarHBondContact O-CB 3.23Å; L368-F372 PolarHBondContact O-N 3.49Å
369D93.8Very high92.1Very high51 Ų5144 Ų4427%0.27322%0.216SC..Hα-helixtrans-61.9-45.7179.5-65.7-23.1000111.7R298 L365 L366 F372 Y373R298-D369 IonicContact CZ-OD1 3.07Å; R298-D369 IonicContact CZ-OD2 3.83Å; R298-D369 VanDerWaalsContact CZ-OD2 3.23Å; R298-D369 IonicContact NE-OD2 3.25Å; R298-D369 PolarHBondContact NE-OD2 2.66Å; R298-D369 IonicContact NH2-OD1 2.8Å; R298-D369 PolarHBondContact NH2-OD1 3.31Å; R298-D369 IonicContact NH2-OD2 3.5Å; R298-D369 PolarHBondContact NH2-OD2 3.5Å; L365-D369 PolarHBondContact O-N 3.04Å; L366-D369 PolarHBondContact O-N 2.98Å; D369-F372 PolarHBondContact O-N 3.37Å; D369-Y373 VanDerWaalsContact O-CB 3.24Å; D369-Y373 WeakPolarHBondContact O-CB 3.34Å; D369-Y373 PolarHBondContact O-N 3.04Å
370T95.5Very high92.4Very high1 Ų146.2 Ų46.21%0.00623%0.225CC..Hα-helixtrans-66.5-41.4178.944.50000112.1L366 A367 F374 T408 L439 E440 F443L366-T370 WeakPolarHBondContact O-CB 3.49Å; L366-T370 WeakPolarHBondContact O-CG2 3.48Å; L366-T370 PolarHBondContact O-N 3.43Å; L366-T370 PolarHBondContact O-OG1 3.22Å; A367-T370 WeakPolarHBondContact CA-OG1 3.3Å; A367-T370 PolarHBondContact O-OG1 2.68Å; T370-F374 PolarHBondContact O-N 2.77Å; T370-T408 HydrophobicContact CG2-CG2 4.3Å; T370-T408 PolarHBondContact OG1-OG1 3.41Å; T370-L439 HydrophobicContact CG2-CD2 4.27Å; T370-L439 HydrophobicContact CG2-CG 4.33Å; T370-E440 HydrophobicContact CG2-CG 4.19Å; T370-F443 HydrophobicContact CG2-CB 4.29Å; T370-F443 HydrophobicContact CG2-CG 4.3Å; T370-F443 WeakPolarHBondContact O-CD1 3.47Å; T370-F443 WeakPolarHBondContact O-CE1 3.36Å
371M94.9Very high92.7Very high1 Ų138.8 Ų38.81%0.00520%0.199CC..Hα-helixtrans-62.5-46.9173.3-71169.774.100112L317 F348 A367 L368 Y373 F374 A375 F400 A401 S404 F443L317-M371 HydrophobicContact CD1-CB 4.08Å; L317-M371 HydrophobicContact CD1-CE 3.92Å; L317-M371 HydrophobicContact CD2-CB 4.04Å; F348-M371 HydrophobicContact CZ-CE 4.07Å; A367-M371 WeakPolarHBondContact O-CB 3.47Å; A367-M371 WeakPolarHBondContact O-CG 3.28Å; A367-M371 PolarHBondContact O-N 2.76Å; L368-M371 PolarHBondContact O-N 3.42Å; M371-Y373 VanDerWaalsContact C-N 3.33Å; M371-F374 PolarHBondContact O-N 3.39Å; M371-A375 PolarHBondContact O-N 3.39Å; M371-F400 HydrophobicContact CB-CE1 4.47Å; M371-F400 HydrophobicContact CB-CZ 4.45Å; M371-F400 HydrophobicContact CE-CD1 3.86Å; M371-F400 HydrophobicContact CE-CE1 3.38Å; M371-F400 HydrophobicContact CE-CZ 4.28Å; M371-F400 HydrophobicContact CG-CE1 4.22Å; M371-F400 HydrophobicContact CG-CZ 4.23Å; M371-A401 HydrophobicContact CE-CB 3.83Å; M371-S404 VanDerWaalsContact CG-CB 3.4Å; M371-F443 HydrophobicContact CG-CZ 4.18Å
372F94.1Very high93Very high79 Ų7935.8 Ų35.835%0.34618%0.181SC..Hα-helixtrans-66.7-38.3-179-174-97.6000111.3A313 L317 L368 D369 F374 A375 T376A313-F372 HydrophobicContact CB-CD2 4.2Å; A313-F372 HydrophobicContact CB-CE2 4.46Å; L317-F372 HydrophobicContact CD2-CB 4.38Å; L368-F372 VanDerWaalsContact O-CB 3.24Å; L368-F372 WeakPolarHBondContact O-CB 3.23Å; L368-F372 PolarHBondContact O-N 3.49Å; D369-F372 PolarHBondContact O-N 3.37Å; F372-F374 PolarHBondContact O-N 2.87Å; F372-A375 PolarHBondContact O-N 2.87Å; F372-T376 HydrophobicContact CD1-CG2 4.08Å; F372-T376 HydrophobicContact CE1-CG2 3.66Å; F372-T376 HydrophobicContact CE2-CG2 4.15Å; F372-T376 HydrophobicContact CZ-CG2 3.69Å; F372-T376 WeakPolarHBondContact O-CB 3.4Å; F372-T376 WeakPolarHBondContact O-CG2 3.32Å; F372-T376 PolarHBondContact O-N 2.95Å; F372-T376 PolarHBondContact O-OG1 3.31Å
373Y95.1Very high93.2Very high31 Ų3134.5 Ų34.512%0.12217%0.173CC..Hα-helixtrans-59-46.1172.2-173.6-88.9000111.5D369 M371 A375 T376 R377 E440 E441D369-Y373 VanDerWaalsContact O-CB 3.24Å; D369-Y373 WeakPolarHBondContact O-CB 3.34Å; D369-Y373 PolarHBondContact O-N 3.04Å; M371-Y373 VanDerWaalsContact C-N 3.33Å; Y373-A375 PolarHBondContact O-N 3.45Å; Y373-T376 PolarHBondContact O-N 2.97Å; Y373-T376 PolarHBondContact O-OG1 3.41Å; Y373-R377 HydrophobicContact CD1-CB 4.22Å; Y373-R377 HydrophobicContact CE1-CB 3.95Å; Y373-R377 HydrophobicContact CE1-CG 3.98Å; Y373-R377 WeakPolarHBondContact O-CB 3.32Å; Y373-R377 PolarHBondContact O-N 2.82Å; Y373-E440 HydrophobicContact CD1-CB 3.52Å; Y373-E440 HydrophobicContact CD1-CG 4.41Å; Y373-E440 HydrophobicContact CD2-CB 4.15Å; Y373-E440 HydrophobicContact CD2-CG 4.33Å; Y373-E440 HydrophobicContact CE1-CB 3.82Å; Y373-E440 HydrophobicContact CE2-CB 4.42Å; Y373-E440 HydrophobicContact CG-CB 3.68Å; Y373-E440 HydrophobicContact CG-CG 4.08Å; Y373-E441 HydrophobicContact CE1-CG 4.45Å; Y373-E441 PolarHBondContact OH-OE1 2.96Å; Y373-E441 VanDerWaalsContact OH-OE1 3.06Å
374F95.9Very high93.2Very high0 Ų040.5 Ų40.50%020%0.196CC..Hα-helixtrans-62.2-44.4177.3179.9-125.9000112.5T370 M371 F372 T376 Y378 A381 Y382 F400 F443 C444 I447 Q448T370-F374 PolarHBondContact O-N 2.77Å; M371-F374 PolarHBondContact O-N 3.39Å; F372-F374 PolarHBondContact O-N 2.87Å; F374-T376 VanDerWaalsContact C-N 3.33Å; F374-T376 PolarHBondContact O-N 2.98Å; F374-Y378 HydrophobicContact CD2-CD2 4.23Å; F374-Y378 CarbonylContact O-C 3.45Å; F374-Y378 WeakPolarHBondContact O-CA 3.41Å; F374-Y378 PolarHBondContact O-N 3.35Å; F374-A381 HydrophobicContact CE2-CB 3.97Å; F374-A381 HydrophobicContact CZ-CB 3.97Å; F374-Y382 AromaticContact CD1-CD2 3.68Å; F374-Y382 HydrophobicContact CD1-CD2 3.68Å; F374-Y382 HydrophobicContact CD1-CG 4.32Å; F374-Y382 AromaticContact CE1-CD2 3.86Å; F374-Y382 HydrophobicContact CE1-CD2 3.86Å; F374-Y382 HydrophobicContact CE1-CG 4.36Å; F374-F400 AromaticContact CD1-CE2 3.9Å; F374-F400 HydrophobicContact CD1-CE2 3.9Å; F374-F400 HydrophobicContact CD1-CZ 4.09Å; F374-F400 HydrophobicContact CE1-CE2 4.04Å; F374-F443 HydrophobicContact CB-CD1 4.28Å; F374-F443 HydrophobicContact CB-CE1 3.89Å; F374-F443 HydrophobicContact CG-CE1 4.44Å; F374-C444 HydrophobicContact CD2-CB 3.91Å; F374-C444 VanDerWaalsContact CD2-SG 3.58Å; F374-C444 HydrophobicContact CE2-CB 4.46Å; F374-I447 HydrophobicContact CD1-CG2 4.16Å; F374-I447 HydrophobicContact CD2-CG2 4.39Å; F374-I447 HydrophobicContact CE1-CG2 3.95Å; F374-I447 HydrophobicContact CE2-CG2 4.19Å; F374-I447 HydrophobicContact CG-CG2 4.38Å; F374-I447 HydrophobicContact CZ-CG2 3.97Å; F374-Q448 HydrophobicContact CE2-CG 4.47Å; F374-Q448 HydrophobicContact CZ-CG 4.3Å
375A94Very high93.3Very high4 Ų440.6 Ų40.63%0.03320%0.196CC..Hα-helixtrans-63.7-36.317900000113.1L317 A320 M371 F372 Y373 P379 Y382L317-A375 HydrophobicContact CD2-CB 3.82Å; A320-A375 HydrophobicContact CB-CB 4.31Å; M371-A375 PolarHBondContact O-N 3.39Å; F372-A375 PolarHBondContact O-N 2.87Å; Y373-A375 PolarHBondContact O-N 3.45Å; A375-P379 WeakPolarHBondContact O-CA 3.38Å; A375-Y382 HydrophobicContact CB-CD1 3.72Å; A375-Y382 HydrophobicContact CB-CD2 4.09Å; A375-Y382 HydrophobicContact CB-CE1 3.77Å; A375-Y382 HydrophobicContact CB-CE2 4.15Å; A375-Y382 HydrophobicContact CB-CG 3.87Å
376T92.9Very high93.2Very high82 Ų8240.7 Ų40.750%0.50320%0.196SC..Hα-helixtrans-86-38.7-178.151.70000113.3F372 Y373 F374F372-T376 HydrophobicContact CD1-CG2 4.08Å; F372-T376 HydrophobicContact CE1-CG2 3.66Å; F372-T376 HydrophobicContact CE2-CG2 4.15Å; F372-T376 HydrophobicContact CZ-CG2 3.69Å; F372-T376 WeakPolarHBondContact O-CB 3.4Å; F372-T376 WeakPolarHBondContact O-CG2 3.32Å; F372-T376 PolarHBondContact O-N 2.95Å; F372-T376 PolarHBondContact O-OG1 3.31Å; Y373-T376 PolarHBondContact O-N 2.97Å; Y373-T376 PolarHBondContact O-OG1 3.41Å; F374-T376 VanDerWaalsContact C-N 3.33Å; F374-T376 PolarHBondContact O-N 2.98Å
377R93.6Very high93Very high150 Ų15044.4 Ų44.457%0.56622%0.216SC*.Hα-helixtrans-81.5-36.2-176.9-17558.9173.8161.70.7112.8Y373 P379Y373-R377 HydrophobicContact CD1-CB 4.22Å; Y373-R377 HydrophobicContact CE1-CB 3.95Å; Y373-R377 HydrophobicContact CE1-CG 3.98Å; Y373-R377 WeakPolarHBondContact O-CB 3.32Å; Y373-R377 PolarHBondContact O-N 2.82Å; R377-P379 VanDerWaalsContact C-CD 3.46Å
378Y93.9Very high92.7Very high83 Ų8347.7 Ų47.733%0.32523%0.232SC..  trans-129.360.5-176.9-61-73.5000111.5F374 D380 A381 Y382 E441 C444F374-Y378 HydrophobicContact CD2-CD2 4.23Å; F374-Y378 CarbonylContact O-C 3.45Å; F374-Y378 WeakPolarHBondContact O-CA 3.41Å; F374-Y378 PolarHBondContact O-N 3.35Å; Y378-D380 VanDerWaalsContact C-N 3.31Å; Y378-D380 PolarHBondContact O-N 2.87Å; Y378-A381 PolarHBondContact O-N 3.2Å; Y378-A381 VanDerWaalsContact O-N 3.08Å; Y378-Y382 WeakPolarHBondContact O-CB 3.36Å; Y378-Y382 PolarHBondContact O-N 2.99Å; Y378-E441 PolarHBondContact OH-OE2 3.35Å; Y378-C444 HydrophobicContact CD2-CB 4.01Å; Y378-C444 HydrophobicContact CE2-CB 3.99Å
379P92.1Very high92.3Very high64 Ų6447.8 Ų47.842%0.41623%0.232SC..Hα-helixtrans-57.4-41.8-173.623.4-34.1000112.5A375 R377 A381 Y382 S383A375-P379 WeakPolarHBondContact O-CA 3.38Å; R377-P379 VanDerWaalsContact C-CD 3.46Å; P379-A381 VanDerWaalsContact C-N 3.34Å; P379-A381 PolarHBondContact O-N 2.89Å; P379-Y382 PolarHBondContact O-N 3.31Å; P379-S383 WeakPolarHBondContact O-CB 3.39Å; P379-S383 PolarHBondContact O-N 3.44Å; P379-S383 PolarHBondContact O-OG 3.26Å
380D92Very high91.8Very high124 Ų12446.2 Ų46.266%0.66323%0.225SC*.Hα-helixtrans-63.1-38.6178.8-62.9-32.1000112.9Y378 R384Y378-D380 VanDerWaalsContact C-N 3.31Å; Y378-D380 PolarHBondContact O-N 2.87Å; D380-R384 WeakPolarHBondContact O-CB 3.26Å; D380-R384 PolarHBondContact O-N 2.93Å; D380-R384 VanDerWaalsContact O-N 3.14Å
381A92.8Very high90.9Very high14 Ų1450.4 Ų50.412%0.11625%0.254CS..Hα-helixtrans-73.2-38.5178.200000111.2F374 Y378 P379 F385F374-A381 HydrophobicContact CE2-CB 3.97Å; F374-A381 HydrophobicContact CZ-CB 3.97Å; Y378-A381 PolarHBondContact O-N 3.2Å; Y378-A381 VanDerWaalsContact O-N 3.08Å; P379-A381 VanDerWaalsContact C-N 3.34Å; P379-A381 PolarHBondContact O-N 2.89Å; A381-F385 WeakPolarHBondContact O-CB 3.05Å; A381-F385 PolarHBondContact O-N 3.19Å
382Y93.4Very high89.9Confident0 Ų055 Ų550%027%0.272CS..Hα-helixtrans-63.5-56.4175.6173.1-108.8000112.2L317 A320 A321 L346 F374 A375 Y378 P379 R384 F385 V386 F400L317-Y382 PolarHBondContact O-OH 3Å; A320-Y382 HydrophobicContact CB-CD1 4.25Å; A320-Y382 HydrophobicContact CB-CE1 3.79Å; A321-Y382 HydrophobicContact CB-CE1 3.74Å; L346-Y382 VanDerWaalsContact CD2-OH 3.31Å; L346-Y382 WeakPolarHBondContact CD2-OH 3.34Å; F374-Y382 AromaticContact CD1-CD2 3.68Å; F374-Y382 HydrophobicContact CD1-CD2 3.68Å; F374-Y382 HydrophobicContact CD1-CG 4.32Å; F374-Y382 AromaticContact CE1-CD2 3.86Å; F374-Y382 HydrophobicContact CE1-CD2 3.86Å; F374-Y382 HydrophobicContact CE1-CG 4.36Å; A375-Y382 HydrophobicContact CB-CD1 3.72Å; A375-Y382 HydrophobicContact CB-CD2 4.09Å; A375-Y382 HydrophobicContact CB-CE1 3.77Å; A375-Y382 HydrophobicContact CB-CE2 4.15Å; A375-Y382 HydrophobicContact CB-CG 3.87Å; Y378-Y382 WeakPolarHBondContact O-CB 3.36Å; Y378-Y382 PolarHBondContact O-N 2.99Å; P379-Y382 PolarHBondContact O-N 3.31Å; Y382-R384 VanDerWaalsContact C-N 3.28Å; Y382-R384 PolarHBondContact O-N 3.38Å; Y382-F385 WeakPolarHBondContact O-CB 3.5Å; Y382-F385 PolarHBondContact O-N 3.37Å; Y382-F385 VanDerWaalsContact O-N 3.07Å; Y382-V386 HydrophobicContact CD2-CG2 4.12Å; Y382-V386 HydrophobicContact CE1-CG2 4.47Å; Y382-V386 HydrophobicContact CE2-CG2 3.7Å; Y382-V386 WeakPolarHBondContact O-CG2 3.47Å; Y382-V386 PolarHBondContact O-N 3.49Å; Y382-F400 HydrophobicContact CD2-CE1 4.3Å; Y382-F400 HydrophobicContact CD2-CE2 4.16Å; Y382-F400 AromaticContact CD2-CZ 3.84Å; Y382-F400 HydrophobicContact CD2-CZ 3.84Å; Y382-F400 HydrophobicContact CE2-CD1 4.14Å; Y382-F400 AromaticContact CE2-CE1 3.49Å; Y382-F400 HydrophobicContact CE2-CE1 3.49Å; Y382-F400 VanDerWaalsContact CE2-CE1 3.49Å; Y382-F400 HydrophobicContact CE2-CE2 4.13Å; Y382-F400 AromaticContact CE2-CZ 3.49Å; Y382-F400 HydrophobicContact CE2-CZ 3.49Å; Y382-F400 VanDerWaalsContact CE2-CZ 3.49Å
383S90.3Very high88.6Confident29 Ų2961.2 Ų61.220%0.20330%0.302CS..Hα-helixtrans-61.4-39.3-179.8-59.70000111.1A320 P379 V386 L387A320-S383 PolarHBondContact O-OG 3.1Å; P379-S383 WeakPolarHBondContact O-CB 3.39Å; P379-S383 PolarHBondContact O-N 3.44Å; P379-S383 PolarHBondContact O-OG 3.26Å; S383-V386 PolarHBondContact O-N 2.69Å; S383-L387 VanDerWaalsContact O-CB 3.22Å; S383-L387 WeakPolarHBondContact O-CB 3.17Å; S383-L387 WeakPolarHBondContact O-CG 3.44Å; S383-L387 PolarHBondContact O-N 2.79Å
384R90.2Very high87.6Confident128 Ų12863.1 Ų63.148%0.48331%0.314SS..Hα-helixtrans-59.5-48172.5-172.9-175.8-49.3102.48.4112D380 Y382 V386 E388D380-R384 WeakPolarHBondContact O-CB 3.26Å; D380-R384 PolarHBondContact O-N 2.93Å; D380-R384 VanDerWaalsContact O-N 3.14Å; Y382-R384 VanDerWaalsContact C-N 3.28Å; Y382-R384 PolarHBondContact O-N 3.38Å; R384-V386 PolarHBondContact O-N 3.06Å; R384-E388 WeakPolarHBondContact CD-OE1 3.24Å; R384-E388 HydrophobicContact CG-CG 4.14Å; R384-E388 WeakPolarHBondContact CG-OE1 3.07Å; R384-E388 WeakPolarHBondContact O-CB 3.46Å; R384-E388 WeakPolarHBondContact O-CG 3.35Å; R384-E388 PolarHBondContact O-N 3Å
385F91.6Very high87Confident4 Ų471.2 Ų71.22%0.01835%0.349CS..Hα-helixtrans-56.8-50.9177.3-174.9-62.8000111.1A381 Y382 N389 F400 I447 N451A381-F385 WeakPolarHBondContact O-CB 3.05Å; A381-F385 PolarHBondContact O-N 3.19Å; Y382-F385 WeakPolarHBondContact O-CB 3.5Å; Y382-F385 PolarHBondContact O-N 3.37Å; Y382-F385 VanDerWaalsContact O-N 3.07Å; F385-N389 PolarHBondContact O-N 3.28Å; F385-N389 PolarHBondContact O-ND2 2.76Å; F385-F400 HydrophobicContact CD1-CB 3.97Å; F385-F400 AromaticContact CD1-CD2 3.66Å; F385-F400 HydrophobicContact CD1-CD2 3.66Å; F385-F400 HydrophobicContact CD1-CG 4.2Å; F385-F400 HydrophobicContact CE1-CB 3.6Å; F385-F400 AromaticContact CE1-CD2 3.66Å; F385-F400 HydrophobicContact CE1-CD2 3.66Å; F385-F400 HydrophobicContact CE1-CG 4.11Å; F385-F400 HydrophobicContact CE2-CD2 4.49Å; F385-F400 HydrophobicContact CG-CD2 4.23Å; F385-F400 HydrophobicContact CZ-CB 4.49Å; F385-F400 HydrophobicContact CZ-CD2 4.09Å; F385-I447 HydrophobicContact CD2-CG1 4.43Å; F385-I447 HydrophobicContact CE2-CD1 4.15Å; F385-I447 HydrophobicContact CE2-CG1 3.86Å; F385-I447 WeakPolarHBondContact CE2-O 3.48Å; F385-I447 HydrophobicContact CZ-CD1 4.3Å; F385-I447 HydrophobicContact CZ-CG1 4.41Å; F385-N451 HydrophobicContact CD2-CB 3.8Å; F385-N451 HydrophobicContact CE2-CB 3.43Å; F385-N451 VanDerWaalsContact CE2-CB 3.43Å; F385-N451 HydrophobicContact CZ-CB 4.16Å
386V90.3Very high86.6Confident2 Ų274.1 Ų74.11%0.01236%0.362CS..Hα-helixtrans-69.1-44.6-173.6177.70000111A321 F322 L346 Y382 S383 R384 N389 S390 F400A321-V386 HydrophobicContact CB-CB 4.21Å; A321-V386 HydrophobicContact CB-CG1 3.87Å; A321-V386 HydrophobicContact CB-CG2 4.39Å; F322-V386 HydrophobicContact CE1-CG1 4.08Å; F322-V386 HydrophobicContact CE2-CG1 4.37Å; F322-V386 HydrophobicContact CZ-CG1 3.65Å; L346-V386 HydrophobicContact CD2-CG1 3.92Å; L346-V386 HydrophobicContact CD2-CG2 4.01Å; Y382-V386 HydrophobicContact CD2-CG2 4.12Å; Y382-V386 HydrophobicContact CE1-CG2 4.47Å; Y382-V386 HydrophobicContact CE2-CG2 3.7Å; Y382-V386 WeakPolarHBondContact O-CG2 3.47Å; Y382-V386 PolarHBondContact O-N 3.49Å; S383-V386 PolarHBondContact O-N 2.69Å; R384-V386 PolarHBondContact O-N 3.06Å; V386-N389 PolarHBondContact O-N 3.3Å; V386-S390 WeakPolarHBondContact O-CB 3.1Å; V386-S390 PolarHBondContact O-N 3.41Å; V386-S390 PolarHBondContact O-OG 3.37Å; V386-F400 HydrophobicContact CG2-CB 4.5Å; V386-F400 HydrophobicContact CG2-CD1 4.44Å; V386-F400 HydrophobicContact CG2-CG 4.27Å
387L87.9Confident86.4Confident83 Ų8373.8 Ų73.844%0.43536%0.355SS..Hα-helixtrans-70-38.8-178.8-65.6173.5000112.3F322 S383 N389 S391F322-L387 HydrophobicContact CD1-CD2 4.25Å; F322-L387 HydrophobicContact CE1-CD2 4.23Å; S383-L387 VanDerWaalsContact O-CB 3.22Å; S383-L387 WeakPolarHBondContact O-CB 3.17Å; S383-L387 WeakPolarHBondContact O-CG 3.44Å; S383-L387 PolarHBondContact O-N 2.79Å; L387-N389 VanDerWaalsContact C-N 3.27Å; L387-N389 PolarHBondContact O-N 2.81Å; L387-S391 VanDerWaalsContact O-CB 3.29Å; L387-S391 WeakPolarHBondContact O-CB 3.46Å; L387-S391 PolarHBondContact O-N 2.86Å; L387-S391 VanDerWaalsContact O-N 3.1Å; L387-S391 PolarHBondContact O-OG 3.32Å
388E88.2Confident86.2Confident69 Ų6966.8 Ų66.832%0.32233%0.329SS..Hα-helixtrans-62.4-33.9176.2-77.9178.1-177.400112.9R384 R392 K455R384-E388 WeakPolarHBondContact CD-OE1 3.24Å; R384-E388 HydrophobicContact CG-CG 4.14Å; R384-E388 WeakPolarHBondContact CG-OE1 3.07Å; R384-E388 WeakPolarHBondContact O-CB 3.46Å; R384-E388 WeakPolarHBondContact O-CG 3.35Å; R384-E388 PolarHBondContact O-N 3Å; E388-R392 WeakPolarHBondContact O-CD 3.5Å; E388-R392 WeakPolarHBondContact O-CG 3.34Å; E388-K455 IonicContact OE2-NZ 2.83Å; E388-K455 PolarHBondContact OE2-NZ 3.48Å
389N86.1Confident86.1Confident5 Ų563.4 Ų63.43%0.02732%0.317CS..Hα-helixtrans-90.2-33.2-178.9-74.4-69.6000112.4F385 V386 L387 E397 C398 N451F385-N389 PolarHBondContact O-N 3.28Å; F385-N389 PolarHBondContact O-ND2 2.76Å; V386-N389 PolarHBondContact O-N 3.3Å; L387-N389 VanDerWaalsContact C-N 3.27Å; L387-N389 PolarHBondContact O-N 2.81Å; N389-E397 WeakPolarHBondContact O-CB 3.33Å; N389-C398 WeakPolarHBondContact OD1-CB 3.38Å; N389-C398 PolarHBondContact OD1-N 3.48Å; N389-N451 PolarHBondContact ND2-OD1 3.21Å
390S82.2Confident86.1Confident17 Ų1760.6 Ų60.612%0.11930%0.298CS..Hα-helixtrans-82.6-18.2-178.863.20000115.1V386 R392V386-S390 WeakPolarHBondContact O-CB 3.1Å; V386-S390 PolarHBondContact O-N 3.41Å; V386-S390 PolarHBondContact O-OG 3.37Å; S390-R392 VanDerWaalsContact C-N 3.33Å
391S76.3Confident86.1Confident90 Ų9054.7 Ų54.763%0.62927%0.266SS*.THydrogen-bonded Turntrans-84.2-10.2173.458.10000113.1L387L387-S391 VanDerWaalsContact O-CB 3.29Å; L387-S391 WeakPolarHBondContact O-CB 3.46Å; L387-S391 PolarHBondContact O-N 2.86Å; L387-S391 VanDerWaalsContact O-N 3.1Å; L387-S391 PolarHBondContact O-OG 3.32Å
392R74.3Confident86.1Confident98 Ų9858.2 Ų58.237%0.3728%0.277SS..  trans-81121.8175.9-74.5177.7171.3-138.6-6109.5E388 S390 D394E388-R392 WeakPolarHBondContact O-CD 3.5Å; E388-R392 WeakPolarHBondContact O-CG 3.34Å; S390-R392 VanDerWaalsContact C-N 3.33Å; R392-D394 VanDerWaalsContact C-N 3.27Å
393E66.9Low86.2Confident208 Ų20858.2 Ų58.297%0.97228%0.277SS*.  trans-90.55.9171.2-60.5-172.5164.200112.1
394D74.7Confident86.4Confident71 Ų7156.8 Ų56.838%0.3827%0.267SS..SBendtrans-89.3168.5179.571.712.5000112.6R392 H396R392-D394 VanDerWaalsContact C-N 3.27Å; D394-H396 PolarHBondContact O-N 3.42Å; D394-H396 VanDerWaalsContact O-N 3.08Å; D394-H396 WeakPolarHBondContact OD1-CB 3.5Å; D394-H396 PolarHBondContact OD1-N 2.87Å; D394-H396 IonicContact OD2-CD2 2.72Å
395K83.1Confident86.6Confident171 Ų17151.7 Ų51.774%0.74325%0.249SC*.THydrogen-bonded Turntrans-71.93.7179.4-64.2-175.5178.1-176.20113.6T460K395-T460 HydrophobicContact CB-CG2 4.24Å; K395-T460 WeakPolarHBondContact O-CA 3.38Å
396H86.3Confident86.8Confident64 Ų6453.8 Ų53.830%0.29626%0.259SS..THydrogen-bonded Turntrans-103.712.2-172.4-61.3-70.5000113.1D394 C398 W454 R458 A459D394-H396 PolarHBondContact O-N 3.42Å; D394-H396 VanDerWaalsContact O-N 3.08Å; D394-H396 WeakPolarHBondContact OD1-CB 3.5Å; D394-H396 PolarHBondContact OD1-N 2.87Å; D394-H396 IonicContact OD2-CD2 2.72Å; H396-C398 PolarHBondContact O-N 2.89Å; H396-W454 PolarHBondContact O-NE1 3.32Å; H396-R458 PolarHBondContact CE1-O 3.39Å; H396-R458 PolarHBondContact ND1-O 3.16Å; H396-R458 VanDerWaalsContact ND1-O 3.08Å; H396-A459 PolarHBondContact ND1-O 3.38Å
397E87.8Confident87.1Confident76 Ų7653.7 Ų53.736%0.35526%0.258SS..  trans-61.1128.8171.962.6176.4-177.600111.4N389 W454 Q461N389-E397 WeakPolarHBondContact O-CB 3.33Å; E397-W454 WeakPolarHBondContact O-CZ2 3.33Å; E397-Q461 PolarHBondContact O-NE2 2.85Å
398C89.5Confident87.5Confident3 Ų349.8 Ų49.82%0.0224%0.238CC..  trans-87.8119.1171.9-176.20000109.5N389 H396 F400 L450 W454N389-C398 WeakPolarHBondContact OD1-CB 3.38Å; N389-C398 PolarHBondContact OD1-N 3.48Å; H396-C398 PolarHBondContact O-N 2.89Å; C398-F400 PolarHBondContact O-N 3.49Å; C398-F400 VanDerWaalsContact O-N 3.16Å; C398-L450 VanDerWaalsContact SG-CD2 3.54Å; C398-W454 HydrophobicContact CB-CD2 3.88Å; C398-W454 HydrophobicContact CB-CG 3.84Å
399P91.4Very high87.8Confident12 Ų1247.3 Ų47.38%0.07823%0.227CC..  trans-77.2107.4-175.231.1-30.2000109.5A401 R402 S403 F464P399-A401 PolarHBondContact O-N 3.13Å; P399-R402 HydrophobicContact CB-CB 4.1Å; P399-R402 HydrophobicContact CG-CB 4.1Å; P399-S403 WeakPolarHBondContact O-CB 3.26Å; P399-S403 PolarHBondContact O-N 3.07Å; P399-S403 PolarHBondContact O-OG 2.96Å; P399-F464 HydrophobicContact CG-CD2 4.15Å; P399-F464 HydrophobicContact CG-CE2 3.97Å
400F93.7Very high88.3Confident4 Ų447.3 Ų47.32%0.01823%0.227CC..Hα-helixtrans-58-51.2-173.7171.6-100.8000112.6L346 M371 F374 Y382 F385 V386 C398 S403 S404 I447L346-F400 HydrophobicContact CD2-CD1 4.29Å; L346-F400 WeakPolarHBondContact O-CB 3.25Å; L346-F400 PolarHBondContact O-N 3.41Å; M371-F400 HydrophobicContact CB-CE1 4.47Å; M371-F400 HydrophobicContact CB-CZ 4.45Å; M371-F400 HydrophobicContact CE-CD1 3.86Å; M371-F400 HydrophobicContact CE-CE1 3.38Å; M371-F400 HydrophobicContact CE-CZ 4.28Å; M371-F400 HydrophobicContact CG-CE1 4.22Å; M371-F400 HydrophobicContact CG-CZ 4.23Å; F374-F400 AromaticContact CD1-CE2 3.9Å; F374-F400 HydrophobicContact CD1-CE2 3.9Å; F374-F400 HydrophobicContact CD1-CZ 4.09Å; F374-F400 HydrophobicContact CE1-CE2 4.04Å; Y382-F400 HydrophobicContact CD2-CE1 4.3Å; Y382-F400 HydrophobicContact CD2-CE2 4.16Å; Y382-F400 AromaticContact CD2-CZ 3.84Å; Y382-F400 HydrophobicContact CD2-CZ 3.84Å; Y382-F400 HydrophobicContact CE2-CD1 4.14Å; Y382-F400 AromaticContact CE2-CE1 3.49Å; Y382-F400 HydrophobicContact CE2-CE1 3.49Å; Y382-F400 VanDerWaalsContact CE2-CE1 3.49Å; Y382-F400 HydrophobicContact CE2-CE2 4.13Å; Y382-F400 AromaticContact CE2-CZ 3.49Å; Y382-F400 HydrophobicContact CE2-CZ 3.49Å; Y382-F400 VanDerWaalsContact CE2-CZ 3.49Å; F385-F400 HydrophobicContact CD1-CB 3.97Å; F385-F400 AromaticContact CD1-CD2 3.66Å; F385-F400 HydrophobicContact CD1-CD2 3.66Å; F385-F400 HydrophobicContact CD1-CG 4.2Å; F385-F400 HydrophobicContact CE1-CB 3.6Å; F385-F400 AromaticContact CE1-CD2 3.66Å; F385-F400 HydrophobicContact CE1-CD2 3.66Å; F385-F400 HydrophobicContact CE1-CG 4.11Å; F385-F400 HydrophobicContact CE2-CD2 4.49Å; F385-F400 HydrophobicContact CG-CD2 4.23Å; F385-F400 HydrophobicContact CZ-CB 4.49Å; F385-F400 HydrophobicContact CZ-CD2 4.09Å; V386-F400 HydrophobicContact CG2-CB 4.5Å; V386-F400 HydrophobicContact CG2-CD1 4.44Å; V386-F400 HydrophobicContact CG2-CG 4.27Å; C398-F400 PolarHBondContact O-N 3.49Å; C398-F400 VanDerWaalsContact O-N 3.16Å; F400-S403 PolarHBondContact O-N 2.89Å; F400-S404 WeakPolarHBondContact CE2-OG 3.24Å; F400-S404 WeakPolarHBondContact CZ-OG 3.48Å; F400-S404 VanDerWaalsContact O-CB 3.28Å; F400-S404 WeakPolarHBondContact O-CB 3.41Å; F400-S404 PolarHBondContact O-N 3.18Å; F400-S404 PolarHBondContact O-OG 2.91Å; F400-I447 HydrophobicContact CD2-CG1 4.32Å; F400-I447 HydrophobicContact CE2-CG1 4.03Å
401A91.8Very high89Confident0 Ų046.5 Ų46.50%022%0.221CC..Hα-helixtrans-66.6-50.4-175.400000112.6L346 F348 M371 P399 S403 S404 I405L346-A401 PolarHBondContact O-N 3.23Å; F348-A401 HydrophobicContact CB-CB 4.45Å; F348-A401 HydrophobicContact CD1-CB 3.63Å; F348-A401 HydrophobicContact CD2-CB 3.63Å; F348-A401 HydrophobicContact CE1-CB 3.63Å; F348-A401 HydrophobicContact CE2-CB 3.63Å; F348-A401 HydrophobicContact CG-CB 3.63Å; F348-A401 HydrophobicContact CZ-CB 3.63Å; M371-A401 HydrophobicContact CE-CB 3.83Å; P399-A401 PolarHBondContact O-N 3.13Å; A401-S403 VanDerWaalsContact C-N 3.28Å; A401-S403 PolarHBondContact O-N 3.38Å; A401-S404 PolarHBondContact O-N 2.78Å; A401-I405 WeakPolarHBondContact O-CG1 3.3Å; A401-I405 PolarHBondContact O-N 2.71Å
402R92.2Very high89.9Confident88 Ų8842.5 Ų42.533%0.33219%0.193SC..Hα-helixtrans-57.4-42.1174.9-171.5-173171.9-168.9-2.6111.9G347 P399 Q406 F464G347-R402 PolarHBondContact O-N 3.28Å; P399-R402 HydrophobicContact CB-CB 4.1Å; P399-R402 HydrophobicContact CG-CB 4.1Å; R402-Q406 PolarHBondContact O-N 2.93Å; R402-F464 HydrophobicContact CB-CE2 4.43Å; R402-F464 HydrophobicContact CB-CZ 4.41Å; R402-F464 HydrophobicContact CG-CE1 4.29Å; R402-F464 HydrophobicContact CG-CE2 3.98Å; R402-F464 HydrophobicContact CG-CZ 3.64Å
403S94.6Very high90.8Very high0 Ų042.3 Ų42.30%020%0.196CC..Hα-helixtrans-66.3-40.3178.1-580000112.2P399 F400 A401 Q406 L407 M468P399-S403 WeakPolarHBondContact O-CB 3.26Å; P399-S403 PolarHBondContact O-N 3.07Å; P399-S403 PolarHBondContact O-OG 2.96Å; F400-S403 PolarHBondContact O-N 2.89Å; A401-S403 VanDerWaalsContact C-N 3.28Å; A401-S403 PolarHBondContact O-N 3.38Å; S403-Q406 PolarHBondContact O-N 3.45Å; S403-L407 WeakPolarHBondContact O-CB 3.43Å; S403-L407 PolarHBondContact O-N 3.21Å; S403-M468 WeakPolarHBondContact O-CE 3.37Å
404S95.4Very high92.1Very high0 Ų033.9 Ų33.90%016%0.157CC..Hα-helixtrans-64.2-47.2179.3-62.30000111.6M371 F400 A401 Q406 L407 T408M371-S404 VanDerWaalsContact CG-CB 3.4Å; F400-S404 WeakPolarHBondContact CE2-OG 3.24Å; F400-S404 WeakPolarHBondContact CZ-OG 3.48Å; F400-S404 VanDerWaalsContact O-CB 3.28Å; F400-S404 WeakPolarHBondContact O-CB 3.41Å; F400-S404 PolarHBondContact O-N 3.18Å; F400-S404 PolarHBondContact O-OG 2.91Å; A401-S404 PolarHBondContact O-N 2.78Å; S404-Q406 VanDerWaalsContact C-N 3.35Å; S404-Q406 PolarHBondContact O-N 3.07Å; S404-L407 PolarHBondContact O-N 3.02Å; S404-T408 PolarHBondContact O-N 2.96Å; S404-T408 PolarHBondContact O-OG1 3.02Å
405I94.7Very high92.9Very high21 Ų2131 Ų3111%0.10814%0.142CC..Hα-helixtrans-58.1-48.6177.8-65.4166.1000110.5D357 L358 P363 A367 A401 T408 L409D357-I405 HydrophobicContact CB-CD1 3.89Å; L358-I405 HydrophobicContact CD2-CD1 3.88Å; L358-I405 HydrophobicContact CD2-CG1 3.84Å; L358-I405 HydrophobicContact CG-CD1 4.35Å; P363-I405 HydrophobicContact CG-CG2 3.94Å; P363-I405 WeakPolarHBondContact CG-O 3.4Å; A367-I405 HydrophobicContact CB-CB 4.37Å; A367-I405 HydrophobicContact CB-CG1 3.94Å; A401-I405 WeakPolarHBondContact O-CG1 3.3Å; A401-I405 PolarHBondContact O-N 2.71Å; I405-T408 PolarHBondContact O-N 3.21Å; I405-L409 PolarHBondContact O-N 3.02Å; I405-L409 VanDerWaalsContact O-N 3.15Å
406Q95.3Very high93.2Very high48 Ų4831 Ų3122%0.22414%0.137CC..Hα-helixtrans-69.1-35.9-179.1-174.763.225.300112.5R402 S403 S404 L409 I410 F464 M468R402-Q406 PolarHBondContact O-N 2.93Å; S403-Q406 PolarHBondContact O-N 3.45Å; S404-Q406 VanDerWaalsContact C-N 3.35Å; S404-Q406 PolarHBondContact O-N 3.07Å; Q406-L409 WeakPolarHBondContact O-CB 3.39Å; Q406-L409 PolarHBondContact O-N 3.34Å; Q406-I410 HydrophobicContact CG-CD1 4.33Å; Q406-I410 WeakPolarHBondContact O-CG1 3.5Å; Q406-I410 PolarHBondContact O-N 3.49Å; Q406-F464 HydrophobicContact CB-CE1 4.34Å; Q406-F464 HydrophobicContact CB-CZ 4.23Å; Q406-F464 HydrophobicContact CG-CE1 4.28Å; Q406-M468 HydrophobicContact CB-CE 3.58Å; Q406-M468 HydrophobicContact CB-SD 4.21Å; Q406-M468 HydrophobicContact CG-CE 3.78Å; Q406-M468 HydrophobicContact CG-CG 3.89Å; Q406-M468 HydrophobicContact CG-SD 3.81Å
407L96.9Very high93.3Very high0 Ų028.5 Ų28.50%013%0.126CC..Hα-helixtrans-65.8-42.6175.9176.461.3000111.7S403 S404 L409 I410 L411 F443 C446 I447 L450 V471 I475S403-L407 WeakPolarHBondContact O-CB 3.43Å; S403-L407 PolarHBondContact O-N 3.21Å; S404-L407 PolarHBondContact O-N 3.02Å; L407-L409 VanDerWaalsContact C-N 3.27Å; L407-L409 PolarHBondContact O-N 3.3Å; L407-I410 PolarHBondContact O-N 2.9Å; L407-L411 HydrophobicContact CD1-CG 4.35Å; L407-L411 HydrophobicContact CG-CD1 4.3Å; L407-L411 WeakPolarHBondContact O-CG 3.45Å; L407-L411 PolarHBondContact O-N 2.79Å; L407-F443 HydrophobicContact CB-CE2 4.47Å; L407-F443 HydrophobicContact CD2-CD2 3.89Å; L407-F443 HydrophobicContact CD2-CE2 4.01Å; L407-F443 HydrophobicContact CG-CD2 4.15Å; L407-F443 HydrophobicContact CG-CE2 4.39Å; L407-C446 HydrophobicContact CD1-CB 3.82Å; L407-C446 HydrophobicContact CD2-CB 3.8Å; L407-C446 HydrophobicContact CG-CB 4.31Å; L407-I447 HydrophobicContact CD2-CB 3.82Å; L407-I447 HydrophobicContact CD2-CD1 4.07Å; L407-L450 HydrophobicContact CB-CD1 4.43Å; L407-V471 HydrophobicContact CD1-CG1 4.32Å; L407-I475 HydrophobicContact CD1-CD1 3.93Å
408T96.4Very high93.1Very high0 Ų025.6 Ų25.60%012%0.117CC..Hα-helixtrans-60.4-40.7175.6-56.10000110.8P363 L366 T370 S404 I405 L411 C412P363-T408 HydrophobicContact CB-CG2 3.8Å; P363-T408 HydrophobicContact CG-CG2 4.34Å; L366-T408 HydrophobicContact CB-CG2 4.39Å; L366-T408 HydrophobicContact CD2-CG2 4.36Å; L366-T408 HydrophobicContact CG-CG2 4.03Å; T370-T408 HydrophobicContact CG2-CG2 4.3Å; T370-T408 PolarHBondContact OG1-OG1 3.41Å; S404-T408 PolarHBondContact O-N 2.96Å; S404-T408 PolarHBondContact O-OG1 3.02Å; I405-T408 PolarHBondContact O-N 3.21Å; T408-L411 PolarHBondContact O-N 3.35Å; T408-C412 PolarHBondContact O-N 3.46Å; T408-C412 PolarHBondContact O-SG 3.2Å
409L95.3Very high92.8Very high17 Ų1729.6 Ų29.69%0.08914%0.138CC..Hα-helixtrans-59.7-47.4173179.261.2000112.3P362 I405 Q406 L407 L411 C412 E413P362-L409 HydrophobicContact CB-CD1 3.77Å; P362-L409 HydrophobicContact CG-CD1 3.52Å; I405-L409 PolarHBondContact O-N 3.02Å; I405-L409 VanDerWaalsContact O-N 3.15Å; Q406-L409 WeakPolarHBondContact O-CB 3.39Å; Q406-L409 PolarHBondContact O-N 3.34Å; L407-L409 VanDerWaalsContact C-N 3.27Å; L407-L409 PolarHBondContact O-N 3.3Å; L409-L411 VanDerWaalsContact C-N 3.3Å; L409-L411 PolarHBondContact O-N 3.28Å; L409-C412 WeakPolarHBondContact O-CB 3.33Å; L409-C412 PolarHBondContact O-N 3.42Å; L409-E413 WeakPolarHBondContact O-CG 3.25Å; L409-E413 PolarHBondContact O-N 2.86Å
410I96.5Very high92.2Very high5 Ų534 Ų343%0.02617%0.166CC..Hα-helixtrans-59.2-42.2177.6-71165.4000110.9Q406 L407 E413 I414 M468 K472Q406-I410 HydrophobicContact CG-CD1 4.33Å; Q406-I410 WeakPolarHBondContact O-CG1 3.5Å; Q406-I410 PolarHBondContact O-N 3.49Å; L407-I410 PolarHBondContact O-N 2.9Å; I410-E413 PolarHBondContact O-N 2.73Å; I410-I414 HydrophobicContact CG2-CD1 3.64Å; I410-I414 HydrophobicContact CG2-CG1 4.32Å; I410-I414 VanDerWaalsContact O-CG1 3.26Å; I410-I414 WeakPolarHBondContact O-CG1 3.16Å; I410-I414 PolarHBondContact O-N 3.4Å; I410-M468 HydrophobicContact CD1-CB 4.23Å; I410-M468 HydrophobicContact CD1-SD 3.99Å; I410-K472 HydrophobicContact CD1-CB 4.34Å; I410-K472 HydrophobicContact CG1-CD 4.47Å; I410-K472 HydrophobicContact CG2-CB 3.89Å; I410-K472 HydrophobicContact CG2-CD 4.21Å; I410-K472 HydrophobicContact CG2-CG 3.84Å
411L96.1Very high91.3Very high1 Ų135.6 Ų35.61%0.00518%0.177CC..Hα-helixtrans-65.3-39.7177.1-69.5172.7000111.9L407 T408 L409 E413 I414 L415 L439 L442 F443 I475L407-L411 HydrophobicContact CD1-CG 4.35Å; L407-L411 HydrophobicContact CG-CD1 4.3Å; L407-L411 WeakPolarHBondContact O-CG 3.45Å; L407-L411 PolarHBondContact O-N 2.79Å; T408-L411 PolarHBondContact O-N 3.35Å; L409-L411 VanDerWaalsContact C-N 3.3Å; L409-L411 PolarHBondContact O-N 3.28Å; L411-E413 VanDerWaalsContact C-N 3.35Å; L411-E413 PolarHBondContact O-N 3.1Å; L411-I414 PolarHBondContact O-N 2.77Å; L411-L415 VanDerWaalsContact O-CB 3.3Å; L411-L415 WeakPolarHBondContact O-CB 3.48Å; L411-L415 VanDerWaalsContact O-CG 3.32Å; L411-L415 WeakPolarHBondContact O-CG 3.41Å; L411-L415 PolarHBondContact O-N 2.82Å; L411-L439 HydrophobicContact CB-CD1 3.7Å; L411-L439 HydrophobicContact CD1-CD1 4.26Å; L411-L442 HydrophobicContact CD2-CB 4.41Å; L411-F443 HydrophobicContact CD1-CB 3.84Å; L411-F443 HydrophobicContact CD1-CD2 4.38Å; L411-I475 HydrophobicContact CD2-CD1 4.38Å; L411-I475 HydrophobicContact CD2-CG2 4.31Å
412C94.7Very high90.4Very high5 Ų536.5 Ų36.53%0.03418%0.183CC..Hα-helixtrans-60.3-43.4173.3-66.20000112.1M299 T408 L409 R416 I417M299-C412 HydrophobicContact SD-CB 3.71Å; T408-C412 PolarHBondContact O-N 3.46Å; T408-C412 PolarHBondContact O-SG 3.2Å; L409-C412 WeakPolarHBondContact O-CB 3.33Å; L409-C412 PolarHBondContact O-N 3.42Å; C412-R416 WeakPolarHBondContact O-CA 3.3Å; C412-R416 PolarHBondContact O-N 3.14Å; C412-I417 HydrophobicContact CB-CB 4.3Å; C412-I417 HydrophobicContact CB-CD1 4.38Å; C412-I417 PolarHBondContact O-N 3.45Å
413E93.6Very high89Confident95 Ų9537 Ų3744%0.44419%0.189SC..Hα-helixtrans-64.5-45177.4-70.9175.4-174.500112.1L409 I410 L411 R416 K472L409-E413 WeakPolarHBondContact O-CG 3.25Å; L409-E413 PolarHBondContact O-N 2.86Å; I410-E413 PolarHBondContact O-N 2.73Å; L411-E413 VanDerWaalsContact C-N 3.35Å; L411-E413 PolarHBondContact O-N 3.1Å; E413-R416 PolarHBondContact O-N 3.13Å; E413-K472 IonicContact OE2-NZ 2.69Å; E413-K472 PolarHBondContact OE2-NZ 2.8Å
414I93.4Very high87.4Confident30 Ų3039.8 Ų39.815%0.15421%0.207CC..Hα-helixtrans-66.6-39.5-178.8-69.2171.8000111I410 L411 R416 K472 I475 L479I410-I414 HydrophobicContact CG2-CD1 3.64Å; I410-I414 HydrophobicContact CG2-CG1 4.32Å; I410-I414 VanDerWaalsContact O-CG1 3.26Å; I410-I414 WeakPolarHBondContact O-CG1 3.16Å; I410-I414 PolarHBondContact O-N 3.4Å; L411-I414 PolarHBondContact O-N 2.77Å; I414-R416 VanDerWaalsContact C-N 3.31Å; I414-K472 HydrophobicContact CD1-CG 4.36Å; I414-I475 HydrophobicContact CD1-CB 3.96Å; I414-I475 HydrophobicContact CD1-CG2 3.63Å; I414-L479 HydrophobicContact CG2-CD1 3.53Å
415L91.4Very high86.1Confident11 Ų1140.5 Ų40.56%0.05821%0.214CC..Hα-helixtrans-85.2-2.4179.3-64.3175.2000113.5L292 L411 I417 L439 L442L292-L415 HydrophobicContact CD1-CB 4.31Å; L411-L415 VanDerWaalsContact O-CB 3.3Å; L411-L415 WeakPolarHBondContact O-CB 3.48Å; L411-L415 VanDerWaalsContact O-CG 3.32Å; L411-L415 WeakPolarHBondContact O-CG 3.41Å; L411-L415 PolarHBondContact O-N 2.82Å; L415-I417 VanDerWaalsContact C-N 3.32Å; L415-I417 HydrophobicContact CB-CD1 4.42Å; L415-I417 HydrophobicContact CB-CG1 4.02Å; L415-I417 PolarHBondContact O-N 3.12Å; L415-L439 HydrophobicContact CD1-CD1 3.92Å; L415-L442 HydrophobicContact CD1-CD1 4.36Å
416R89.4Confident85.2Confident171 Ų17142.5 Ų42.565%0.64523%0.23SC*.THydrogen-bonded Turntrans53.544.2-178.1-59.7-169.4-177.6-175.6-0.7113.6C412 E413 I414 G418 D419C412-R416 WeakPolarHBondContact O-CA 3.3Å; C412-R416 PolarHBondContact O-N 3.14Å; E413-R416 PolarHBondContact O-N 3.13Å; I414-R416 VanDerWaalsContact C-N 3.31Å; R416-G418 PolarHBondContact O-N 3.29Å; R416-D419 HydrophobicContact CB-CB 4.29Å; R416-D419 WeakPolarHBondContact CB-OD2 3.45Å; R416-D419 PolarHBondContact O-N 3.41Å
417I90.1Very high84.5Confident12 Ų1243.5 Ų43.56%0.06224%0.242CC..THydrogen-bonded Turntrans-68.5120.5178.5-58.9-177.8000109.5L292 L295 E296 M299 C412 L415 L439L292-I417 HydrophobicContact CB-CG1 4.36Å; L295-I417 HydrophobicContact CB-CG2 4.29Å; L295-I417 HydrophobicContact CD1-CD1 4.25Å; E296-I417 HydrophobicContact CB-CG2 4.47Å; M299-I417 HydrophobicContact CE-CG2 4.36Å; M299-I417 HydrophobicContact SD-CB 4.46Å; M299-I417 HydrophobicContact SD-CG2 4.21Å; C412-I417 HydrophobicContact CB-CB 4.3Å; C412-I417 HydrophobicContact CB-CD1 4.38Å; C412-I417 PolarHBondContact O-N 3.45Å; L415-I417 VanDerWaalsContact C-N 3.32Å; L415-I417 HydrophobicContact CB-CD1 4.42Å; L415-I417 HydrophobicContact CB-CG1 4.02Å; L415-I417 PolarHBondContact O-N 3.12Å; I417-L439 HydrophobicContact CD1-CD1 4.27Å; I417-L439 HydrophobicContact CD1-CD2 4.28Å
418G82.9Confident84.2Confident15 Ų1544.7 Ų44.716%0.15525%0.247CC..THydrogen-bonded Turntrans100.7-3.7-179.200000114.6N293 E296 R416N293-G418 PolarHBondContact OD1-N 2.89Å; E296-G418 VanDerWaalsContact CD-CA 3.44Å; E296-G418 WeakPolarHBondContact OE2-CA 3.44Å; R416-G418 PolarHBondContact O-N 3.29Å
419D82.3Confident83.9Confident87 Ų8746.5 Ų46.547%0.46526%0.256SS..PPolyproline II helixtrans-84.7131.2171.9-69.7-19000109.6N293 R416N293-D419 PolarHBondContact ND2-O 2.88Å; R416-D419 HydrophobicContact CB-CB 4.29Å; R416-D419 WeakPolarHBondContact CB-OD2 3.45Å; R416-D419 PolarHBondContact O-N 3.41Å
420P78.6Confident83.6Confident104 Ų10446.5 Ų46.568%0.67526%0.257SS*.PPolyproline II helixtrans-62.4148.6176.327.3-34.1000110.9S422P420-S422 PolarHBondContact O-N 3.35Å
421P76.5Confident83.3Confident38 Ų3846.3 Ų46.325%0.24726%0.256CS..PPolyproline II helixtrans-62.6134.9177.526.4-33.1000110.6Y285 V286 V290Y285-P421 HydrophobicContact CE1-CB 4.39Å; V286-P421 HydrophobicContact CG1-CB 4.43Å; V286-P421 HydrophobicContact CG2-CB 4.31Å; V290-P421 HydrophobicContact CG2-CG 4.33Å
422S71.6Confident83.1Confident18 Ų1846.8 Ų46.813%0.12626%0.258CS..PPolyproline II helixtrans-71.3143.9172.4173.70000111.6H282 Y285 P420 T424 G425 E621H282-S422 PolarHBondContact CE1-O 3.48Å; H282-S422 VanDerWaalsContact CE1-O 3.29Å; Y285-S422 PolarHBondContact OH-N 3.33Å; P420-S422 PolarHBondContact O-N 3.35Å; S422-T424 PolarHBondContact O-N 2.85Å; S422-T424 PolarHBondContact OG-N 3.03Å; S422-T424 PolarHBondContact OG-OG1 3.18Å; S422-G425 PolarHBondContact OG-N 3.24Å; S422-E621 WeakPolarHBondContact CA-OE1 2.91Å; S422-E621 WeakPolarHBondContact CA-OE2 3.46Å; S422-E621 WeakPolarHBondContact CB-OE1 3.39Å; S422-E621 VanDerWaalsContact CB-OE2 3.27Å; S422-E621 WeakPolarHBondContact CB-OE2 3.34Å; S422-E621 PolarHBondContact OG-OE1 3.21Å; S422-E621 PolarHBondContact OG-OE2 3.23Å
423E63.4Low82.9Confident99 Ų9946.6 Ų46.646%0.46326%0.256SS..SBendtrans-69.1-17.5175.9-68.2177.7-165.300112.9H282 T619 E621 V622H282-E423 VanDerWaalsContact CE1-C 3.49Å; H282-E423 PolarHBondContact CE1-O 3.43Å; E423-T619 VanDerWaalsContact OE1-CB 3.31Å; E423-T619 WeakPolarHBondContact OE1-CB 3.49Å; E423-T619 PolarHBondContact OE1-OG1 3.28Å; E423-E621 PolarHBondContact N-OE2 2.88Å; E423-V622 WeakPolarHBondContact OE2-CG2 3.42Å
424T61.5Low82.7Confident59 Ų5943.5 Ų43.536%0.36225%0.245SC..SBendtrans-117.8-0.8-178.360.40000113.4S422 S426 L625S422-T424 PolarHBondContact O-N 2.85Å; S422-T424 PolarHBondContact OG-N 3.03Å; S422-T424 PolarHBondContact OG-OG1 3.18Å; T424-S426 PolarHBondContact O-N 3.37Å; T424-L625 HydrophobicContact CG2-CD1 4.03Å
425G67.9Low82.4Confident15 Ų1544 Ų4416%0.15525%0.247CC..  trans-67.2128.5-17900000111.9H282 Y285 S422H282-G425 WeakPolarHBondContact CA-O 3.33Å; H282-G425 PolarHBondContact ND1-O 3.22Å; Y285-G425 VanDerWaalsContact CD1-C 3.48Å; Y285-G425 WeakPolarHBondContact CD1-O 3.42Å; S422-G425 PolarHBondContact OG-N 3.24Å
426S74.4Confident82.1Confident62 Ų6246.6 Ų46.643%0.43426%0.261SS..  trans-126.3-4.5176.460.30000113.5T424 F428T424-S426 PolarHBondContact O-N 3.37Å; S426-F428 PolarHBondContact O-N 3.02Å
427S82.6Confident82Confident69 Ų6945.7 Ų45.748%0.48326%0.257SS..  trans-90.3106.9-177.7-1780000112Y285 K482Y285-S427 WeakPolarHBondContact CD2-O 3.43Å; S427-K482 PolarHBondContact OG-NZ 3.39Å
428F89.1Confident82Confident26 Ų2645.5 Ų45.511%0.11426%0.256CS..  trans-110.4167.1172.767.5-89.6000112.5I270 L284 S426 P430 F433I270-F428 HydrophobicContact CD1-CE2 3.85Å; I270-F428 HydrophobicContact CD1-CZ 4.42Å; I270-F428 HydrophobicContact CG1-CE2 4.22Å; I270-F428 HydrophobicContact CG1-CZ 4.32Å; L284-F428 HydrophobicContact CB-CD1 3.95Å; L284-F428 HydrophobicContact CB-CE1 4.16Å; L284-F428 HydrophobicContact CB-CG 4.25Å; L284-F428 HydrophobicContact CD1-CD1 4.46Å; L284-F428 HydrophobicContact CD1-CE1 3.84Å; L284-F428 HydrophobicContact CD1-CE2 4.42Å; L284-F428 HydrophobicContact CD1-CZ 3.81Å; S426-F428 PolarHBondContact O-N 3.02Å; F428-P430 HydrophobicContact CE2-CG 4.16Å; F428-F433 HydrophobicContact CD2-CD2 4.12Å; F428-F433 AromaticContact CD2-CE2 3.63Å; F428-F433 HydrophobicContact CD2-CE2 3.63Å; F428-F433 HydrophobicContact CE2-CD2 4.37Å; F428-F433 HydrophobicContact CE2-CE2 4.16Å; F428-F433 HydrophobicContact CG-CE2 4.28Å
429H89.7Confident82.6Confident38 Ų3844.9 Ų44.918%0.17625%0.249CC..  trans-101.6111.2176.6-66.2-64000110.4I431 F432H429-I431 HydrophobicContact CB-CG2 4.13Å; H429-I431 PolarHBondContact O-N 2.93Å; H429-I431 VanDerWaalsContact O-N 3.16Å; H429-F432 WeakPolarHBondContact O-CB 3.36Å; H429-F432 PolarHBondContact O-N 2.9Å
430P89.8Confident83.2Confident17 Ų1742.1 Ų42.111%0.1123%0.234CC..THydrogen-bonded Turntrans-58.1-33.9-176.9-27.335.7000114.3F428 F432 F433 S434 T484F428-P430 HydrophobicContact CE2-CG 4.16Å; P430-F432 PolarHBondContact O-N 3.26Å; P430-F432 VanDerWaalsContact O-N 3.11Å; P430-F433 PolarHBondContact O-N 3.4Å; P430-S434 PolarHBondContact O-N 2.67Å; P430-T484 HydrophobicContact CB-CG2 4.18Å
431I91.4Very high84Confident1 Ų137.5 Ų37.51%0.00520%0.203CC..Hα-helixtrans-52.7-31.7174.9-169.3173.1000113.2H429 F433 S434 Q435 L438 L442 P483 L486 F489H429-I431 HydrophobicContact CB-CG2 4.13Å; H429-I431 PolarHBondContact O-N 2.93Å; H429-I431 VanDerWaalsContact O-N 3.16Å; I431-F433 PolarHBondContact O-N 3.41Å; I431-S434 WeakPolarHBondContact CA-OG 3.36Å; I431-S434 PolarHBondContact O-N 3.24Å; I431-S434 VanDerWaalsContact O-N 3.11Å; I431-S434 PolarHBondContact O-OG 2.94Å; I431-Q435 PolarHBondContact O-N 3.36Å; I431-Q435 VanDerWaalsContact O-N 3.09Å; I431-L438 HydrophobicContact CB-CD1 4.4Å; I431-L438 HydrophobicContact CD1-CD1 4.09Å; I431-L438 HydrophobicContact CG1-CD1 3.76Å; I431-L438 HydrophobicContact CG2-CD1 4.04Å; I431-L438 HydrophobicContact CG2-CD2 4.47Å; I431-L442 HydrophobicContact CD1-CD2 4.26Å; I431-P483 WeakPolarHBondContact CB-O 3.42Å; I431-P483 PolarHBondContact N-O 3.25Å; I431-L486 HydrophobicContact CD1-CD1 4.4Å; I431-F489 HydrophobicContact CD1-CB 3.79Å; I431-F489 HydrophobicContact CD1-CG 4.31Å
432F91.6Very high84.9Confident11 Ų1135.7 Ų35.75%0.04819%0.191CC..Hα-helixtrans-59.6-34.6177.3174-95.4000112.9R262 Q288 T291 L292 H429 P430 L438R262-F432 VanDerWaalsContact CD-O 3.32Å; R262-F432 WeakPolarHBondContact CD-O 3.41Å; Q288-F432 HydrophobicContact CB-CD1 4.08Å; Q288-F432 HydrophobicContact CB-CE1 4.12Å; Q288-F432 HydrophobicContact CB-CG 4.49Å; Q288-F432 HydrophobicContact CG-CB 4.36Å; Q288-F432 HydrophobicContact CG-CD1 3.92Å; Q288-F432 HydrophobicContact CG-CD2 4.03Å; Q288-F432 HydrophobicContact CG-CE1 4.23Å; Q288-F432 HydrophobicContact CG-CE2 4.32Å; Q288-F432 HydrophobicContact CG-CG 3.83Å; Q288-F432 HydrophobicContact CG-CZ 4.43Å; T291-F432 HydrophobicContact CG2-CE2 4.22Å; T291-F432 HydrophobicContact CG2-CZ 3.71Å; L292-F432 HydrophobicContact CD2-CD2 4.32Å; L292-F432 HydrophobicContact CD2-CE2 4.08Å; L292-F432 HydrophobicContact CG-CD2 4.44Å; L292-F432 HydrophobicContact CG-CE2 4.08Å; H429-F432 WeakPolarHBondContact O-CB 3.36Å; H429-F432 PolarHBondContact O-N 2.9Å; P430-F432 PolarHBondContact O-N 3.26Å; P430-F432 VanDerWaalsContact O-N 3.11Å; F432-L438 HydrophobicContact CB-CD2 3.92Å; F432-L438 HydrophobicContact CD2-CB 4.45Å; F432-L438 HydrophobicContact CD2-CD2 3.91Å; F432-L438 HydrophobicContact CG-CD2 4.42Å
433F90.3Very high86.1Confident1 Ų134.9 Ų34.90%0.00419%0.185CC..Hα-helixtrans-87.1-19.1178.9-60.9-82.4000112.5R262 I265 Y266 I270 L284 L287 F428 P430 I431R262-F433 HydrophobicContact CG-CB 4.36Å; R262-F433 HydrophobicContact CG-CD1 4.36Å; R262-F433 VanDerWaalsContact CG-O 3.3Å; R262-F433 WeakPolarHBondContact CG-O 3.5Å; I265-F433 HydrophobicContact CB-CD1 4.21Å; I265-F433 HydrophobicContact CD1-CE1 4.5Å; I265-F433 HydrophobicContact CG2-CD1 3.65Å; I265-F433 HydrophobicContact CG2-CE1 3.84Å; I265-F433 HydrophobicContact CG2-CG 4.28Å; Y266-F433 WeakPolarHBondContact CB-O 3.3Å; Y266-F433 HydrophobicContact CD2-CB 3.99Å; Y266-F433 HydrophobicContact CG-CB 4.35Å; I270-F433 HydrophobicContact CD1-CB 3.74Å; I270-F433 HydrophobicContact CD1-CD1 4.28Å; I270-F433 HydrophobicContact CD1-CD2 3.31Å; I270-F433 HydrophobicContact CD1-CE2 3.94Å; I270-F433 HydrophobicContact CD1-CG 3.51Å; L284-F433 HydrophobicContact CB-CE2 4.46Å; L284-F433 HydrophobicContact CB-CZ 4.1Å; L284-F433 HydrophobicContact CD2-CE1 4.05Å; L284-F433 HydrophobicContact CD2-CE2 4.49Å; L284-F433 HydrophobicContact CD2-CZ 3.83Å; L287-F433 HydrophobicContact CD2-CE1 3.96Å; F428-F433 HydrophobicContact CD2-CD2 4.12Å; F428-F433 AromaticContact CD2-CE2 3.63Å; F428-F433 HydrophobicContact CD2-CE2 3.63Å; F428-F433 HydrophobicContact CE2-CD2 4.37Å; F428-F433 HydrophobicContact CE2-CE2 4.16Å; F428-F433 HydrophobicContact CG-CE2 4.28Å; P430-F433 PolarHBondContact O-N 3.4Å; I431-F433 PolarHBondContact O-N 3.41Å
434S88.1Confident87.7Confident29 Ų2930.2 Ų30.220%0.20316%0.164CC..Hα-helixtrans-80.8-29.7176.376.10000113.5P430 I431 T484P430-S434 PolarHBondContact O-N 2.67Å; I431-S434 WeakPolarHBondContact CA-OG 3.36Å; I431-S434 PolarHBondContact O-N 3.24Å; I431-S434 VanDerWaalsContact O-N 3.11Å; I431-S434 PolarHBondContact O-OG 2.94Å; S434-T484 VanDerWaalsContact CB-O 3.28Å; S434-T484 WeakPolarHBondContact CB-O 3.41Å; S434-T484 PolarHBondContact OG-O 3.31Å
435Q87.6Confident89.4Confident42 Ų4228.1 Ų28.120%0.19615%0.151CC..SBendtrans-120.5128.3-166.2-171.562.93200111.6I431 L438 E441 L486I431-Q435 PolarHBondContact O-N 3.36Å; I431-Q435 VanDerWaalsContact O-N 3.09Å; Q435-L438 HydrophobicContact CB-CD1 4.15Å; Q435-L438 HydrophobicContact CG-CD1 4.5Å; Q435-E441 HydrophobicContact CG-CB 4.05Å; Q435-E441 HydrophobicContact CG-CG 4.09Å; Q435-E441 PolarHBondContact NE2-OE1 3.48Å; Q435-L486 HydrophobicContact CG-CD2 4.44Å
436D84.8Confident90.8Very high65 Ų6527.4 Ų27.435%0.34814%0.143SC..THydrogen-bonded Turntrans-75.3143.1169.7-65.2-12.4000109.9R262 L438R262-D436 IonicContact CZ-OD1 2.76Å; R262-D436 IonicContact NE-OD1 3.37Å; R262-D436 IonicContact NH1-OD1 2.67Å; R262-D436 PolarHBondContact NH1-OD1 2.93Å; D436-L438 VanDerWaalsContact C-N 3.35Å; D436-L438 PolarHBondContact O-N 3.2Å
437R87.2Confident91.8Very high152 Ų15224.4 Ų24.457%0.57412%0.123SC*.THydrogen-bonded Turntrans51.453-178.7-62.2-170-172.3-154.52.5112.3L439 E440 E441R437-L439 VanDerWaalsContact C-N 3.27Å; R437-L439 PolarHBondContact O-N 2.98Å; R437-E440 HydrophobicContact CB-CB 4.41Å; R437-E440 WeakPolarHBondContact CB-OE2 3.44Å; R437-E440 PolarHBondContact O-N 3.38Å; R437-E441 WeakPolarHBondContact O-CG 3.44Å; R437-E441 PolarHBondContact O-N 3.48Å; R437-E441 VanDerWaalsContact O-N 3.09Å
438L91.4Very high92.4Very high8 Ų825 Ų254%0.04212%0.118CC..Hα-helixtrans-51.1-44.8-174.817973000112.4I431 F432 Q435 D436 E440 E441 L442I431-L438 HydrophobicContact CB-CD1 4.4Å; I431-L438 HydrophobicContact CD1-CD1 4.09Å; I431-L438 HydrophobicContact CG1-CD1 3.76Å; I431-L438 HydrophobicContact CG2-CD1 4.04Å; I431-L438 HydrophobicContact CG2-CD2 4.47Å; F432-L438 HydrophobicContact CB-CD2 3.92Å; F432-L438 HydrophobicContact CD2-CB 4.45Å; F432-L438 HydrophobicContact CD2-CD2 3.91Å; F432-L438 HydrophobicContact CG-CD2 4.42Å; Q435-L438 HydrophobicContact CB-CD1 4.15Å; Q435-L438 HydrophobicContact CG-CD1 4.5Å; D436-L438 VanDerWaalsContact C-N 3.35Å; D436-L438 PolarHBondContact O-N 3.2Å; L438-E440 PolarHBondContact O-N 3.15Å; L438-E441 PolarHBondContact O-N 3.28Å; L438-L442 HydrophobicContact CD1-CD1 3.97Å; L438-L442 HydrophobicContact CD1-CD2 4.42Å; L438-L442 HydrophobicContact CD1-CG 3.91Å; L438-L442 HydrophobicContact CD2-CD1 4.08Å; L438-L442 HydrophobicContact CG-CD1 3.72Å; L438-L442 HydrophobicContact CG-CG 4.04Å; L438-L442 VanDerWaalsContact O-CB 3.29Å; L438-L442 WeakPolarHBondContact O-CB 3.33Å; L438-L442 VanDerWaalsContact O-CG 3.23Å; L438-L442 WeakPolarHBondContact O-CG 3.49Å; L438-L442 PolarHBondContact O-N 2.83Å
439L94.2Very high92.7Very high2 Ų223.9 Ų23.91%0.0111%0.113CC..Hα-helixtrans-60.3-48-176.9177.670.9000111L295 L366 T370 L411 L415 I417 R437 L442 F443L295-L439 HydrophobicContact CD1-CB 4.11Å; L295-L439 HydrophobicContact CD1-CD2 3.74Å; L366-L439 HydrophobicContact CD1-CD2 3.78Å; L366-L439 HydrophobicContact CD2-CD2 3.67Å; L366-L439 HydrophobicContact CG-CD2 3.86Å; T370-L439 HydrophobicContact CG2-CD2 4.27Å; T370-L439 HydrophobicContact CG2-CG 4.33Å; L411-L439 HydrophobicContact CB-CD1 3.7Å; L411-L439 HydrophobicContact CD1-CD1 4.26Å; L415-L439 HydrophobicContact CD1-CD1 3.92Å; I417-L439 HydrophobicContact CD1-CD1 4.27Å; I417-L439 HydrophobicContact CD1-CD2 4.28Å; R437-L439 VanDerWaalsContact C-N 3.27Å; R437-L439 PolarHBondContact O-N 2.98Å; L439-L442 PolarHBondContact O-N 3.32Å; L439-F443 WeakPolarHBondContact O-CB 3.48Å; L439-F443 PolarHBondContact O-N 2.95Å
440E94.9Very high93Very high28 Ų2822.1 Ų22.113%0.13111%0.105CC..Hα-helixtrans-66.9-38.6-178.1-59.795.7130.400112T370 Y373 R437 L438 F443 C444T370-E440 HydrophobicContact CG2-CG 4.19Å; Y373-E440 HydrophobicContact CD1-CB 3.52Å; Y373-E440 HydrophobicContact CD1-CG 4.41Å; Y373-E440 HydrophobicContact CD2-CB 4.15Å; Y373-E440 HydrophobicContact CD2-CG 4.33Å; Y373-E440 HydrophobicContact CE1-CB 3.82Å; Y373-E440 HydrophobicContact CE2-CB 4.42Å; Y373-E440 HydrophobicContact CG-CB 3.68Å; Y373-E440 HydrophobicContact CG-CG 4.08Å; R437-E440 HydrophobicContact CB-CB 4.41Å; R437-E440 WeakPolarHBondContact CB-OE2 3.44Å; R437-E440 PolarHBondContact O-N 3.38Å; L438-E440 PolarHBondContact O-N 3.15Å; E440-F443 WeakPolarHBondContact O-CB 3.43Å; E440-F443 PolarHBondContact O-N 3.47Å; E440-C444 PolarHBondContact O-N 3.27Å; E440-C444 PolarHBondContact O-SG 2.97Å
441E95.6Very high93.2Very high8 Ų821.9 Ų21.94%0.03710%0.103CC..Hα-helixtrans-70.9-41.8177.2-70.3-78.4-16800111.9Y373 Y378 Q435 R437 L438 F443 C444 V445 L486Y373-E441 HydrophobicContact CE1-CG 4.45Å; Y373-E441 PolarHBondContact OH-OE1 2.96Å; Y373-E441 VanDerWaalsContact OH-OE1 3.06Å; Y378-E441 PolarHBondContact OH-OE2 3.35Å; Q435-E441 HydrophobicContact CG-CB 4.05Å; Q435-E441 HydrophobicContact CG-CG 4.09Å; Q435-E441 PolarHBondContact NE2-OE1 3.48Å; R437-E441 WeakPolarHBondContact O-CG 3.44Å; R437-E441 PolarHBondContact O-N 3.48Å; R437-E441 VanDerWaalsContact O-N 3.09Å; L438-E441 PolarHBondContact O-N 3.28Å; E441-F443 VanDerWaalsContact C-N 3.31Å; E441-F443 PolarHBondContact O-N 3.06Å; E441-C444 PolarHBondContact O-N 3.38Å; E441-V445 PolarHBondContact O-N 3.18Å; E441-V445 VanDerWaalsContact O-N 3.14Å; E441-L486 HydrophobicContact CB-CD1 4.3Å; E441-L486 HydrophobicContact CB-CD2 3.96Å; E441-L486 HydrophobicContact CG-CD2 4.48Å
442L96.1Very high93.4Very high0 Ų025.3 Ų25.30%012%0.117CC..Hα-helixtrans-60.3-42.6170.5-73.3179.5000110.7L411 L415 I431 L438 L439 C444 V445 C446 L486 F489L411-L442 HydrophobicContact CD2-CB 4.41Å; L415-L442 HydrophobicContact CD1-CD1 4.36Å; I431-L442 HydrophobicContact CD1-CD2 4.26Å; L438-L442 HydrophobicContact CD1-CD1 3.97Å; L438-L442 HydrophobicContact CD1-CD2 4.42Å; L438-L442 HydrophobicContact CD1-CG 3.91Å; L438-L442 HydrophobicContact CD2-CD1 4.08Å; L438-L442 HydrophobicContact CG-CD1 3.72Å; L438-L442 HydrophobicContact CG-CG 4.04Å; L438-L442 VanDerWaalsContact O-CB 3.29Å; L438-L442 WeakPolarHBondContact O-CB 3.33Å; L438-L442 VanDerWaalsContact O-CG 3.23Å; L438-L442 WeakPolarHBondContact O-CG 3.49Å; L438-L442 PolarHBondContact O-N 2.83Å; L439-L442 PolarHBondContact O-N 3.32Å; L442-C444 PolarHBondContact O-N 2.9Å; L442-V445 PolarHBondContact O-N 2.97Å; L442-C446 VanDerWaalsContact O-CB 3.24Å; L442-C446 WeakPolarHBondContact O-CB 3.47Å; L442-C446 PolarHBondContact O-N 3.04Å; L442-C446 PolarHBondContact O-SG 3.41Å; L442-L486 HydrophobicContact CD2-CD1 4.3Å; L442-F489 HydrophobicContact CD2-CD1 3.69Å; L442-F489 HydrophobicContact CD2-CD2 4.25Å; L442-F489 HydrophobicContact CD2-CE1 3.56Å; L442-F489 HydrophobicContact CD2-CE2 4.16Å; L442-F489 HydrophobicContact CD2-CG 4.05Å; L442-F489 HydrophobicContact CD2-CZ 3.82Å
443F97.3Very high93.5Very high0 Ų024.8 Ų24.80%012%0.115CC..Hα-helixtrans-57.7-46.6175.3172.5-91.1000111.7T370 M371 F374 L407 L411 L439 E440 E441 V445 C446 I447T370-F443 HydrophobicContact CG2-CB 4.29Å; T370-F443 HydrophobicContact CG2-CG 4.3Å; T370-F443 WeakPolarHBondContact O-CD1 3.47Å; T370-F443 WeakPolarHBondContact O-CE1 3.36Å; M371-F443 HydrophobicContact CG-CZ 4.18Å; F374-F443 HydrophobicContact CB-CD1 4.28Å; F374-F443 HydrophobicContact CB-CE1 3.89Å; F374-F443 HydrophobicContact CG-CE1 4.44Å; L407-F443 HydrophobicContact CB-CE2 4.47Å; L407-F443 HydrophobicContact CD2-CD2 3.89Å; L407-F443 HydrophobicContact CD2-CE2 4.01Å; L407-F443 HydrophobicContact CG-CD2 4.15Å; L407-F443 HydrophobicContact CG-CE2 4.39Å; L411-F443 HydrophobicContact CD1-CB 3.84Å; L411-F443 HydrophobicContact CD1-CD2 4.38Å; L439-F443 WeakPolarHBondContact O-CB 3.48Å; L439-F443 PolarHBondContact O-N 2.95Å; E440-F443 WeakPolarHBondContact O-CB 3.43Å; E440-F443 PolarHBondContact O-N 3.47Å; E441-F443 VanDerWaalsContact C-N 3.31Å; E441-F443 PolarHBondContact O-N 3.06Å; F443-V445 VanDerWaalsContact C-N 3.32Å; F443-V445 PolarHBondContact O-N 3.44Å; F443-C446 PolarHBondContact O-N 2.84Å; F443-I447 HydrophobicContact CE1-CB 4.46Å; F443-I447 HydrophobicContact CE1-CG2 4.32Å; F443-I447 HydrophobicContact CZ-CB 4.36Å; F443-I447 HydrophobicContact CZ-CG1 4.43Å; F443-I447 WeakPolarHBondContact O-CB 3.28Å; F443-I447 WeakPolarHBondContact O-CG2 3.35Å; F443-I447 PolarHBondContact O-N 3.01Å
444C96.6Very high93.7Very high1 Ų124.9 Ų24.91%0.00712%0.116CC..Hα-helixtrans-61.4-38.5-179.9-67.70000112.6F374 Y378 E440 E441 L442 I447 Q448F374-C444 HydrophobicContact CD2-CB 3.91Å; F374-C444 VanDerWaalsContact CD2-SG 3.58Å; F374-C444 HydrophobicContact CE2-CB 4.46Å; Y378-C444 HydrophobicContact CD2-CB 4.01Å; Y378-C444 HydrophobicContact CE2-CB 3.99Å; E440-C444 PolarHBondContact O-N 3.27Å; E440-C444 PolarHBondContact O-SG 2.97Å; E441-C444 PolarHBondContact O-N 3.38Å; L442-C444 PolarHBondContact O-N 2.9Å; C444-I447 WeakPolarHBondContact O-CG2 3.27Å; C444-Q448 WeakPolarHBondContact O-CG 3.48Å; C444-Q448 PolarHBondContact O-NE2 2.89Å
445V96.4Very high93.9Very high15 Ų1527.1 Ų27.19%0.09112%0.122CC..Hα-helixtrans-71.3-44.2174.4176.90000110.8E441 L442 F443 Q448 L449 L486 F489 K490 V493E441-V445 PolarHBondContact O-N 3.18Å; E441-V445 VanDerWaalsContact O-N 3.14Å; L442-V445 PolarHBondContact O-N 2.97Å; F443-V445 VanDerWaalsContact C-N 3.32Å; F443-V445 PolarHBondContact O-N 3.44Å; V445-Q448 PolarHBondContact O-N 3.39Å; V445-L449 PolarHBondContact O-N 3.39Å; V445-L486 HydrophobicContact CG2-CD1 4.07Å; V445-L486 HydrophobicContact CG2-CG 4.45Å; V445-F489 HydrophobicContact CB-CE1 4.23Å; V445-F489 HydrophobicContact CG1-CD1 4.07Å; V445-F489 HydrophobicContact CG1-CE1 3.83Å; V445-K490 HydrophobicContact CG1-CB 4.19Å; V445-K490 HydrophobicContact CG1-CG 4.17Å; V445-V493 HydrophobicContact CG1-CG1 4.01Å
446C96.9Very high94.2Very high0 Ų028.6 Ų28.60%013%0.128CC..Hα-helixtrans-72.9-30.8-174.4-64.90000113.3L407 L442 F443 L449 L450 I475L407-C446 HydrophobicContact CD1-CB 3.82Å; L407-C446 HydrophobicContact CD2-CB 3.8Å; L407-C446 HydrophobicContact CG-CB 4.31Å; L442-C446 VanDerWaalsContact O-CB 3.24Å; L442-C446 WeakPolarHBondContact O-CB 3.47Å; L442-C446 PolarHBondContact O-N 3.04Å; L442-C446 PolarHBondContact O-SG 3.41Å; F443-C446 PolarHBondContact O-N 2.84Å; C446-L449 WeakPolarHBondContact O-CB 3.02Å; C446-L449 PolarHBondContact O-N 2.9Å; C446-L450 VanDerWaalsContact O-CB 3.31Å; C446-L450 WeakPolarHBondContact O-CB 3.45Å; C446-L450 PolarHBondContact O-N 2.86Å; C446-I475 HydrophobicContact CB-CD1 3.91Å; C446-I475 VanDerWaalsContact SG-CD1 3.57Å
447I96.5Very high94.6Very high0 Ų027.4 Ų27.40%012%0.121CC..Hα-helixtrans-69.8-36.6176.4-167.158.5000111F374 F385 F400 L407 F443 C444 L450 N451F374-I447 HydrophobicContact CD1-CG2 4.16Å; F374-I447 HydrophobicContact CD2-CG2 4.39Å; F374-I447 HydrophobicContact CE1-CG2 3.95Å; F374-I447 HydrophobicContact CE2-CG2 4.19Å; F374-I447 HydrophobicContact CG-CG2 4.38Å; F374-I447 HydrophobicContact CZ-CG2 3.97Å; F385-I447 HydrophobicContact CD2-CG1 4.43Å; F385-I447 HydrophobicContact CE2-CD1 4.15Å; F385-I447 HydrophobicContact CE2-CG1 3.86Å; F385-I447 WeakPolarHBondContact CE2-O 3.48Å; F385-I447 HydrophobicContact CZ-CD1 4.3Å; F385-I447 HydrophobicContact CZ-CG1 4.41Å; F400-I447 HydrophobicContact CD2-CG1 4.32Å; F400-I447 HydrophobicContact CE2-CG1 4.03Å; L407-I447 HydrophobicContact CD2-CB 3.82Å; L407-I447 HydrophobicContact CD2-CD1 4.07Å; F443-I447 HydrophobicContact CE1-CB 4.46Å; F443-I447 HydrophobicContact CE1-CG2 4.32Å; F443-I447 HydrophobicContact CZ-CB 4.36Å; F443-I447 HydrophobicContact CZ-CG1 4.43Å; F443-I447 WeakPolarHBondContact O-CB 3.28Å; F443-I447 WeakPolarHBondContact O-CG2 3.35Å; F443-I447 PolarHBondContact O-N 3.01Å; C444-I447 WeakPolarHBondContact O-CG2 3.27Å; I447-L450 HydrophobicContact CD1-CD1 4.41Å; I447-L450 PolarHBondContact O-N 3.48Å; I447-N451 PolarHBondContact O-N 3.01Å; I447-N451 VanDerWaalsContact O-N 3.08Å
448Q94.9Very high94.8Very high82 Ų8229.8 Ų29.838%0.38313%0.13SC..Hα-helixtrans-67.8-42.3173.1-69.5175.976.100111.5F374 C444 V445 L450 N451 K452F374-Q448 HydrophobicContact CE2-CG 4.47Å; F374-Q448 HydrophobicContact CZ-CG 4.3Å; C444-Q448 WeakPolarHBondContact O-CG 3.48Å; C444-Q448 PolarHBondContact O-NE2 2.89Å; V445-Q448 PolarHBondContact O-N 3.39Å; Q448-L450 VanDerWaalsContact C-N 3.32Å; Q448-L450 PolarHBondContact O-N 3.41Å; Q448-N451 PolarHBondContact O-N 2.83Å; Q448-K452 PolarHBondContact O-N 3.09Å
449L95.7Very high94.8Very high1 Ų129.5 Ų29.51%0.00513%0.129CC..Hα-helixtrans-57.5-46171.4174.672.8000111.2V445 C446 N451 K452 T453 Q474 I475 V493V445-L449 PolarHBondContact O-N 3.39Å; C446-L449 WeakPolarHBondContact O-CB 3.02Å; C446-L449 PolarHBondContact O-N 2.9Å; L449-N451 VanDerWaalsContact C-N 3.32Å; L449-N451 PolarHBondContact O-N 3.35Å; L449-K452 CarbonylContact O-C 3.26Å; L449-K452 WeakPolarHBondContact O-CA 3.31Å; L449-K452 WeakPolarHBondContact O-CB 3.29Å; L449-K452 PolarHBondContact O-N 3.24Å; L449-K452 VanDerWaalsContact O-N 3.07Å; L449-T453 PolarHBondContact O-N 3.24Å; L449-T453 PolarHBondContact O-OG1 2.96Å; L449-Q474 HydrophobicContact CD2-CB 4.18Å; L449-I475 HydrophobicContact CD2-CG1 4.47Å; L449-V493 HydrophobicContact CD1-CG2 4.4Å; L449-V493 HydrophobicContact CD2-CG1 4.42Å; L449-V493 HydrophobicContact CD2-CG2 3.37Å; L449-V493 HydrophobicContact CG-CG2 4.47Å
450L96.3Very high94.7Very high1 Ų130.8 Ų30.81%0.00514%0.137CC..Hα-helixtrans-57.9-45.2178.8-176160.8000111C398 L407 C446 I447 Q448 K452 T453 W454 M468 V471C398-L450 VanDerWaalsContact SG-CD2 3.54Å; L407-L450 HydrophobicContact CB-CD1 4.43Å; C446-L450 VanDerWaalsContact O-CB 3.31Å; C446-L450 WeakPolarHBondContact O-CB 3.45Å; C446-L450 PolarHBondContact O-N 2.86Å; I447-L450 HydrophobicContact CD1-CD1 4.41Å; I447-L450 PolarHBondContact O-N 3.48Å; Q448-L450 VanDerWaalsContact C-N 3.32Å; Q448-L450 PolarHBondContact O-N 3.41Å; L450-K452 VanDerWaalsContact C-N 3.3Å; L450-K452 PolarHBondContact O-N 3.38Å; L450-T453 PolarHBondContact O-N 3.01Å; L450-W454 VanDerWaalsContact O-CB 3.24Å; L450-W454 WeakPolarHBondContact O-CB 3.49Å; L450-W454 PolarHBondContact O-N 3.39Å; L450-M468 HydrophobicContact CD1-CE 3.6Å; L450-M468 HydrophobicContact CD1-SD 3.71Å; L450-V471 HydrophobicContact CB-CG1 4.43Å; L450-V471 HydrophobicContact CB-CG2 4.16Å; L450-V471 HydrophobicContact CG-CG2 4.19Å
451N94.4Very high94.4Very high12 Ų1232.5 Ų32.56%0.06415%0.145CC..Hα-helixtrans-60.5-40.9175.4-157.319000112.2F385 N389 I447 Q448 L449 K455F385-N451 HydrophobicContact CD2-CB 3.8Å; F385-N451 HydrophobicContact CE2-CB 3.43Å; F385-N451 VanDerWaalsContact CE2-CB 3.43Å; F385-N451 HydrophobicContact CZ-CB 4.16Å; N389-N451 PolarHBondContact ND2-OD1 3.21Å; I447-N451 PolarHBondContact O-N 3.01Å; I447-N451 VanDerWaalsContact O-N 3.08Å; Q448-N451 PolarHBondContact O-N 2.83Å; L449-N451 VanDerWaalsContact C-N 3.32Å; L449-N451 PolarHBondContact O-N 3.35Å; N451-K455 VanDerWaalsContact O-CG 3.31Å; N451-K455 WeakPolarHBondContact O-CG 3.48Å; N451-K455 PolarHBondContact O-N 2.92Å; N451-K455 VanDerWaalsContact O-N 3.11Å
452K94.3Very high94.2Very high73 Ų7340.5 Ų40.532%0.31718%0.182SC..Hα-helixtrans-63.7-52.4177.3178.7-177.3171.3-174.20110.6Q448 L449 L450 W454 K455 E456 N494Q448-K452 PolarHBondContact O-N 3.09Å; L449-K452 CarbonylContact O-C 3.26Å; L449-K452 WeakPolarHBondContact O-CA 3.31Å; L449-K452 WeakPolarHBondContact O-CB 3.29Å; L449-K452 PolarHBondContact O-N 3.24Å; L449-K452 VanDerWaalsContact O-N 3.07Å; L450-K452 VanDerWaalsContact C-N 3.3Å; L450-K452 PolarHBondContact O-N 3.38Å; K452-W454 VanDerWaalsContact C-N 3.32Å; K452-W454 PolarHBondContact O-N 2.96Å; K452-K455 PolarHBondContact O-N 3.39Å; K452-E456 WeakPolarHBondContact CE-OE1 3.28Å; K452-E456 HydrophobicContact CG-CG 4.49Å; K452-E456 WeakPolarHBondContact CG-OE1 3.45Å; K452-E456 WeakPolarHBondContact O-CG 3.42Å; K452-E456 PolarHBondContact O-N 3.22Å; K452-N494 PolarHBondContact NZ-O 2.98Å; K452-N494 VanDerWaalsContact NZ-O 3.09Å
453T94.6Very high94Very high0 Ų042.6 Ų42.60%019%0.193CC..Hα-helixtrans-59.7-41.3177.8-58.90000111.4L449 L450 K455 E456 M457 V467 V470 V471 Q474L449-T453 PolarHBondContact O-N 3.24Å; L449-T453 PolarHBondContact O-OG1 2.96Å; L450-T453 PolarHBondContact O-N 3.01Å; T453-K455 PolarHBondContact O-N 3.5Å; T453-E456 PolarHBondContact O-N 3.37Å; T453-M457 HydrophobicContact CG2-CG 4.39Å; T453-M457 HydrophobicContact CG2-SD 3.9Å; T453-M457 WeakPolarHBondContact O-CB 3.27Å; T453-M457 WeakPolarHBondContact O-CG 3.23Å; T453-M457 PolarHBondContact O-N 2.9Å; T453-V467 HydrophobicContact CG2-CG1 4.29Å; T453-V470 HydrophobicContact CG2-CB 4.29Å; T453-V470 HydrophobicContact CG2-CG1 3.67Å; T453-V471 HydrophobicContact CG2-CG2 4.15Å; T453-Q474 PolarHBondContact OG1-NE2 2.96Å; T453-Q474 PolarHBondContact OG1-OE1 3.36Å
454W94.6Very high93.8Very high4 Ų442.8 Ų42.82%0.01519%0.194CC..Hα-helixtrans-56.7-47.3175.2-178-82.3000112.1H396 E397 C398 L450 K452 M457 R458 A459 T460 F464 V467H396-W454 PolarHBondContact O-NE1 3.32Å; E397-W454 WeakPolarHBondContact O-CZ2 3.33Å; C398-W454 HydrophobicContact CB-CD2 3.88Å; C398-W454 HydrophobicContact CB-CG 3.84Å; L450-W454 VanDerWaalsContact O-CB 3.24Å; L450-W454 WeakPolarHBondContact O-CB 3.49Å; L450-W454 PolarHBondContact O-N 3.39Å; K452-W454 VanDerWaalsContact C-N 3.32Å; K452-W454 PolarHBondContact O-N 2.96Å; W454-M457 PolarHBondContact O-N 2.99Å; W454-R458 PolarHBondContact O-N 3Å; W454-A459 HydrophobicContact CD2-CB 3.76Å; W454-A459 HydrophobicContact CE3-CB 4.03Å; W454-A459 HydrophobicContact CG-CB 4.15Å; W454-A459 HydrophobicContact CH2-CB 4.44Å; W454-A459 HydrophobicContact CZ2-CB 4.21Å; W454-A459 HydrophobicContact CZ3-CB 4.35Å; W454-A459 PolarHBondContact NE1-O 3.36Å; W454-A459 PolarHBondContact O-N 3.02Å; W454-A459 VanDerWaalsContact O-N 3.07Å; W454-T460 WeakPolarHBondContact CH2-O 3.34Å; W454-F464 HydrophobicContact CH2-CD2 4.32Å; W454-F464 HydrophobicContact CZ3-CB 4.28Å; W454-F464 AromaticContact CZ3-CD2 3.86Å; W454-F464 HydrophobicContact CZ3-CD2 3.86Å; W454-V467 HydrophobicContact CB-CG1 4.4Å; W454-V467 HydrophobicContact CE3-CB 4.16Å; W454-V467 HydrophobicContact CE3-CG1 4.04Å; W454-V467 HydrophobicContact CE3-CG2 3.89Å; W454-V467 HydrophobicContact CZ3-CG2 4.27Å
455K92.4Very high93.7Very high75 Ų7547.7 Ų47.733%0.32622%0.22SC..Hα-helixtrans-67.4-41.6177.3-70.4171.6-176.9178.20112.1E388 N451 K452 T453 M457 R458E388-K455 IonicContact OE2-NZ 2.83Å; E388-K455 PolarHBondContact OE2-NZ 3.48Å; N451-K455 VanDerWaalsContact O-CG 3.31Å; N451-K455 WeakPolarHBondContact O-CG 3.48Å; N451-K455 PolarHBondContact O-N 2.92Å; N451-K455 VanDerWaalsContact O-N 3.11Å; K452-K455 PolarHBondContact O-N 3.39Å; T453-K455 PolarHBondContact O-N 3.5Å; K455-M457 VanDerWaalsContact C-N 3.3Å; K455-M457 PolarHBondContact O-N 3.32Å; K455-R458 PolarHBondContact O-N 2.83Å; K455-R458 VanDerWaalsContact O-N 3.08Å
456E93.5Very high93.5Very high73 Ų7353 Ų5334%0.34124%0.242SC..Hα-helixtrans-60.9-39.6176.8-73.8175.8-178.500111.9K452 T453 R458 Y498K452-E456 WeakPolarHBondContact CE-OE1 3.28Å; K452-E456 HydrophobicContact CG-CG 4.49Å; K452-E456 WeakPolarHBondContact CG-OE1 3.45Å; K452-E456 WeakPolarHBondContact O-CG 3.42Å; K452-E456 PolarHBondContact O-N 3.22Å; T453-E456 PolarHBondContact O-N 3.37Å; E456-R458 PolarHBondContact O-N 2.99Å; E456-Y498 WeakPolarHBondContact OE2-CB 3.26Å; E456-Y498 PolarHBondContact OE2-N 2.95Å
457M92.8Very high93.5Very high40 Ų4053 Ų5320%0.19724%0.242CC..THydrogen-bonded Turntrans-76.3-9.8176.2-69.5-179.463.200113.5T453 W454 K455 A459 K466 V467 V470 Y498T453-M457 HydrophobicContact CG2-CG 4.39Å; T453-M457 HydrophobicContact CG2-SD 3.9Å; T453-M457 WeakPolarHBondContact O-CB 3.27Å; T453-M457 WeakPolarHBondContact O-CG 3.23Å; T453-M457 PolarHBondContact O-N 2.9Å; W454-M457 PolarHBondContact O-N 2.99Å; K455-M457 VanDerWaalsContact C-N 3.3Å; K455-M457 PolarHBondContact O-N 3.32Å; M457-A459 HydrophobicContact CB-CB 4.16Å; M457-A459 PolarHBondContact O-N 3.4Å; M457-K466 HydrophobicContact CE-CB 4.49Å; M457-V467 HydrophobicContact CE-CG2 3.85Å; M457-V467 HydrophobicContact SD-CB 4.27Å; M457-V467 HydrophobicContact SD-CG1 4.43Å; M457-V467 HydrophobicContact SD-CG2 3.74Å; M457-V470 HydrophobicContact CE-CG2 4.41Å; M457-V470 HydrophobicContact SD-CB 4.4Å; M457-V470 HydrophobicContact SD-CG2 4.07Å; M457-Y498 HydrophobicContact CE-CE2 4.16Å; M457-Y498 HydrophobicContact CG-CD1 3.77Å; M457-Y498 HydrophobicContact CG-CD2 3.61Å; M457-Y498 HydrophobicContact CG-CE1 3.8Å; M457-Y498 HydrophobicContact CG-CE2 3.64Å; M457-Y498 HydrophobicContact CG-CG 3.68Å; M457-Y498 HydrophobicContact SD-CD2 3.9Å; M457-Y498 HydrophobicContact SD-CE2 3.81Å
458R90.9Very high93.4Very high203 Ų20353.2 Ų53.277%0.76624%0.244SC*.THydrogen-bonded Turntrans47.142.3-166.9-58.4-177.5179.9-173.1-0.2111.2H396 W454 K455 E456H396-R458 PolarHBondContact CE1-O 3.39Å; H396-R458 PolarHBondContact ND1-O 3.16Å; H396-R458 VanDerWaalsContact ND1-O 3.08Å; W454-R458 PolarHBondContact O-N 3Å; K455-R458 PolarHBondContact O-N 2.83Å; K455-R458 VanDerWaalsContact O-N 3.08Å; E456-R458 PolarHBondContact O-N 2.99Å
459A91.8Very high93.4Very high1 Ų154.8 Ų54.81%0.00825%0.251CS..  trans-67.7154.1-170.600000112.2H396 W454 M457 D463 V467H396-A459 PolarHBondContact ND1-O 3.38Å; W454-A459 HydrophobicContact CD2-CB 3.76Å; W454-A459 HydrophobicContact CE3-CB 4.03Å; W454-A459 HydrophobicContact CG-CB 4.15Å; W454-A459 HydrophobicContact CH2-CB 4.44Å; W454-A459 HydrophobicContact CZ2-CB 4.21Å; W454-A459 HydrophobicContact CZ3-CB 4.35Å; W454-A459 PolarHBondContact NE1-O 3.36Å; W454-A459 PolarHBondContact O-N 3.02Å; W454-A459 VanDerWaalsContact O-N 3.07Å; M457-A459 HydrophobicContact CB-CB 4.16Å; M457-A459 PolarHBondContact O-N 3.4Å; A459-D463 HydrophobicContact CB-CB 4.1Å; A459-V467 HydrophobicContact CB-CG2 3.47Å; A459-V467 VanDerWaalsContact CB-CG2 3.47Å
460T92.1Very high93.3Very high30 Ų3054.8 Ų54.818%0.18425%0.251CS..  trans-115.7175.9168.366.10000109.7K395 W454 E462 D463K395-T460 HydrophobicContact CB-CG2 4.24Å; K395-T460 WeakPolarHBondContact O-CA 3.38Å; W454-T460 WeakPolarHBondContact CH2-O 3.34Å; T460-E462 PolarHBondContact O-N 3.15Å; T460-E462 VanDerWaalsContact O-N 3.09Å; T460-D463 PolarHBondContact N-OD2 3.21Å; T460-D463 PolarHBondContact O-N 2.98Å; T460-D463 PolarHBondContact OG1-OD2 3.18Å
461Q88.8Confident93.4Very high64 Ų6454.8 Ų54.830%0.29925%0.251SS..G310 helixtrans-54.8-26.9175.7-65.8-65.4-31.700114E397 D463 F464E397-Q461 PolarHBondContact O-NE2 2.85Å; Q461-D463 VanDerWaalsContact C-N 3.35Å; Q461-F464 WeakPolarHBondContact O-CB 3.47Å
462E90.6Very high93.4Very high176 Ų17657 Ų5782%0.82226%0.26SS*.G310 helixtrans-74.2-25.2177.4-63.7178.7-17100112.7T460 F464T460-E462 PolarHBondContact O-N 3.15Å; T460-E462 VanDerWaalsContact O-N 3.09Å; E462-F464 VanDerWaalsContact C-N 3.32Å
463D92.6Very high93.4Very high43 Ų4355.4 Ų55.423%0.2325%0.254CS..G310 helixtrans-90.52.9178.9-62.4-61.4000112.9A459 T460 Q461 D465 K466 V467A459-D463 HydrophobicContact CB-CB 4.1Å; T460-D463 PolarHBondContact N-OD2 3.21Å; T460-D463 PolarHBondContact O-N 2.98Å; T460-D463 PolarHBondContact OG1-OD2 3.18Å; Q461-D463 VanDerWaalsContact C-N 3.35Å; D463-D465 VanDerWaalsContact C-N 3.33Å; D463-D465 PolarHBondContact O-N 2.93Å; D463-K466 WeakPolarHBondContact O-CA 3.48Å; D463-K466 WeakPolarHBondContact O-CB 3.2Å; D463-K466 PolarHBondContact O-N 3.32Å; D463-K466 IonicContact OD1-NZ 3.29Å; D463-K466 PolarHBondContact OD1-NZ 3.44Å; D463-V467 WeakPolarHBondContact O-CG2 3.29Å; D463-V467 PolarHBondContact O-N 3.14Å
464F93Very high93.5Very high5 Ų555.4 Ų55.42%0.02225%0.254CS..Hα-helixtrans-49.9-50.4-174.2-178.9-89.3000113P399 R402 Q406 W454 Q461 E462 K466 V467 M468P399-F464 HydrophobicContact CG-CD2 4.15Å; P399-F464 HydrophobicContact CG-CE2 3.97Å; R402-F464 HydrophobicContact CB-CE2 4.43Å; R402-F464 HydrophobicContact CB-CZ 4.41Å; R402-F464 HydrophobicContact CG-CE1 4.29Å; R402-F464 HydrophobicContact CG-CE2 3.98Å; R402-F464 HydrophobicContact CG-CZ 3.64Å; Q406-F464 HydrophobicContact CB-CE1 4.34Å; Q406-F464 HydrophobicContact CB-CZ 4.23Å; Q406-F464 HydrophobicContact CG-CE1 4.28Å; W454-F464 HydrophobicContact CH2-CD2 4.32Å; W454-F464 HydrophobicContact CZ3-CB 4.28Å; W454-F464 AromaticContact CZ3-CD2 3.86Å; W454-F464 HydrophobicContact CZ3-CD2 3.86Å; Q461-F464 WeakPolarHBondContact O-CB 3.47Å; E462-F464 VanDerWaalsContact C-N 3.32Å; F464-K466 VanDerWaalsContact C-N 3.3Å; F464-K466 PolarHBondContact O-N 2.69Å; F464-V467 PolarHBondContact O-N 3Å; F464-M468 HydrophobicContact CD1-CG 4.24Å; F464-M468 HydrophobicContact CE1-CE 3.86Å; F464-M468 HydrophobicContact CE1-CG 3.95Å; F464-M468 HydrophobicContact CE2-CE 3.74Å; F464-M468 HydrophobicContact CZ-CE 3.28Å; F464-M468 HydrophobicContact CZ-CG 4.27Å; F464-M468 VanDerWaalsContact O-CG 3.31Å; F464-M468 WeakPolarHBondContact O-CG 3.25Å; F464-M468 PolarHBondContact O-N 2.96Å
465D94Very high93.5Very high103 Ų10355.2 Ų55.255%0.55125%0.253SS*.Hα-helixtrans-65.8-35-179.1-62.7-41.9000111.8D463 M468 Q469D463-D465 VanDerWaalsContact C-N 3.33Å; D463-D465 PolarHBondContact O-N 2.93Å; D465-M468 PolarHBondContact O-N 3.17Å; D465-Q469 WeakPolarHBondContact O-CG 3.22Å; D465-Q469 PolarHBondContact O-N 3.05Å
466K93.8Very high93.7Very high126 Ų12654.7 Ų54.755%0.54826%0.256SS..Hα-helixtrans-67.3-43.9177.1-58.5177.2-165.1153.60111.3M457 D463 F464 M468 Q469 V470M457-K466 HydrophobicContact CE-CB 4.49Å; D463-K466 WeakPolarHBondContact O-CA 3.48Å; D463-K466 WeakPolarHBondContact O-CB 3.2Å; D463-K466 PolarHBondContact O-N 3.32Å; D463-K466 IonicContact OD1-NZ 3.29Å; D463-K466 PolarHBondContact OD1-NZ 3.44Å; F464-K466 VanDerWaalsContact C-N 3.3Å; F464-K466 PolarHBondContact O-N 2.69Å; K466-M468 VanDerWaalsContact C-N 3.29Å; K466-M468 PolarHBondContact O-N 2.95Å; K466-Q469 PolarHBondContact O-N 3.28Å; K466-V470 WeakPolarHBondContact O-CG2 3.25Å; K466-V470 PolarHBondContact O-N 3.03Å
467V95.4Very high93.6Very high1 Ų155.1 Ų55.11%0.00625%0.254CS..Hα-helixtrans-60.3-43.9176.1178.90000109.8T453 W454 M457 A459 D463 F464 Q469 V470 V471T453-V467 HydrophobicContact CG2-CG1 4.29Å; W454-V467 HydrophobicContact CB-CG1 4.4Å; W454-V467 HydrophobicContact CE3-CB 4.16Å; W454-V467 HydrophobicContact CE3-CG1 4.04Å; W454-V467 HydrophobicContact CE3-CG2 3.89Å; W454-V467 HydrophobicContact CZ3-CG2 4.27Å; M457-V467 HydrophobicContact CE-CG2 3.85Å; M457-V467 HydrophobicContact SD-CB 4.27Å; M457-V467 HydrophobicContact SD-CG1 4.43Å; M457-V467 HydrophobicContact SD-CG2 3.74Å; A459-V467 HydrophobicContact CB-CG2 3.47Å; A459-V467 VanDerWaalsContact CB-CG2 3.47Å; D463-V467 WeakPolarHBondContact O-CG2 3.29Å; D463-V467 PolarHBondContact O-N 3.14Å; F464-V467 PolarHBondContact O-N 3Å; V467-Q469 VanDerWaalsContact C-N 3.33Å; V467-Q469 PolarHBondContact O-N 3.47Å; V467-V470 WeakPolarHBondContact O-CB 3.44Å; V467-V470 PolarHBondContact O-N 3.43Å; V467-V471 HydrophobicContact CG1-CG2 4.3Å; V467-V471 WeakPolarHBondContact O-CG2 3.4Å; V467-V471 PolarHBondContact O-N 2.91Å
468M95.1Very high93.7Very high5 Ų553.3 Ų53.33%0.02525%0.246CC..Hα-helixtrans-60.1-40.2177.3-73.5-64.7-173.200113.1S403 Q406 I410 L450 F464 D465 K466 V471 K472S403-M468 WeakPolarHBondContact O-CE 3.37Å; Q406-M468 HydrophobicContact CB-CE 3.58Å; Q406-M468 HydrophobicContact CB-SD 4.21Å; Q406-M468 HydrophobicContact CG-CE 3.78Å; Q406-M468 HydrophobicContact CG-CG 3.89Å; Q406-M468 HydrophobicContact CG-SD 3.81Å; I410-M468 HydrophobicContact CD1-CB 4.23Å; I410-M468 HydrophobicContact CD1-SD 3.99Å; L450-M468 HydrophobicContact CD1-CE 3.6Å; L450-M468 HydrophobicContact CD1-SD 3.71Å; F464-M468 HydrophobicContact CD1-CG 4.24Å; F464-M468 HydrophobicContact CE1-CE 3.86Å; F464-M468 HydrophobicContact CE1-CG 3.95Å; F464-M468 HydrophobicContact CE2-CE 3.74Å; F464-M468 HydrophobicContact CZ-CE 3.28Å; F464-M468 HydrophobicContact CZ-CG 4.27Å; F464-M468 VanDerWaalsContact O-CG 3.31Å; F464-M468 WeakPolarHBondContact O-CG 3.25Å; F464-M468 PolarHBondContact O-N 2.96Å; D465-M468 PolarHBondContact O-N 3.17Å; K466-M468 VanDerWaalsContact C-N 3.29Å; K466-M468 PolarHBondContact O-N 2.95Å; M468-V471 PolarHBondContact O-N 3.19Å; M468-K472 WeakPolarHBondContact O-CB 3.48Å; M468-K472 PolarHBondContact O-N 3.33Å
469Q93.9Very high93.8Very high115 Ų11543.9 Ų43.954%0.53721%0.21SC..Hα-helixtrans-66.2-40.1175.1-67.5-58.9-20.700112.5D465 K466 V467 K472 E473D465-Q469 WeakPolarHBondContact O-CG 3.22Å; D465-Q469 PolarHBondContact O-N 3.05Å; K466-Q469 PolarHBondContact O-N 3.28Å; V467-Q469 VanDerWaalsContact C-N 3.33Å; V467-Q469 PolarHBondContact O-N 3.47Å; Q469-K472 PolarHBondContact O-N 2.92Å; Q469-E473 WeakPolarHBondContact O-CB 3.26Å; Q469-E473 PolarHBondContact O-N 3.14Å
470V95.4Very high93.7Very high1 Ų147.6 Ų47.61%0.00624%0.241CC..Hα-helixtrans-61-46.3173.81740000110.5T453 M457 K466 V467 E473 Q474 Y498 I501T453-V470 HydrophobicContact CG2-CB 4.29Å; T453-V470 HydrophobicContact CG2-CG1 3.67Å; M457-V470 HydrophobicContact CE-CG2 4.41Å; M457-V470 HydrophobicContact SD-CB 4.4Å; M457-V470 HydrophobicContact SD-CG2 4.07Å; K466-V470 WeakPolarHBondContact O-CG2 3.25Å; K466-V470 PolarHBondContact O-N 3.03Å; V467-V470 WeakPolarHBondContact O-CB 3.44Å; V467-V470 PolarHBondContact O-N 3.43Å; V470-E473 WeakPolarHBondContact O-CB 3.4Å; V470-E473 PolarHBondContact O-N 3.48Å; V470-Q474 HydrophobicContact CG1-CG 4.44Å; V470-Q474 VanDerWaalsContact O-CG 3.32Å; V470-Q474 WeakPolarHBondContact O-CG 3.49Å; V470-Q474 PolarHBondContact O-N 2.97Å; V470-Y498 HydrophobicContact CG1-CD2 4.06Å; V470-Y498 HydrophobicContact CG2-CD2 4.48Å; V470-Y498 HydrophobicContact CG2-CE2 4.3Å; V470-I501 HydrophobicContact CG1-CG2 4.3Å
471V96.5Very high93.6Very high0 Ų048.7 Ų48.70%025%0.25CS..Hα-helixtrans-64.2-43.2178.9172.80000111.3L407 L450 T453 V467 M468 E473 Q474 I475L407-V471 HydrophobicContact CD1-CG1 4.32Å; L450-V471 HydrophobicContact CB-CG1 4.43Å; L450-V471 HydrophobicContact CB-CG2 4.16Å; L450-V471 HydrophobicContact CG-CG2 4.19Å; T453-V471 HydrophobicContact CG2-CG2 4.15Å; V467-V471 HydrophobicContact CG1-CG2 4.3Å; V467-V471 WeakPolarHBondContact O-CG2 3.4Å; V467-V471 PolarHBondContact O-N 2.91Å; M468-V471 PolarHBondContact O-N 3.19Å; V471-E473 VanDerWaalsContact C-N 3.31Å; V471-E473 PolarHBondContact O-N 3.05Å; V471-Q474 PolarHBondContact O-N 3.08Å; V471-I475 HydrophobicContact CG1-CD1 3.76Å; V471-I475 HydrophobicContact CG1-CG1 4.43Å; V471-I475 VanDerWaalsContact O-CG1 3.25Å; V471-I475 WeakPolarHBondContact O-CG1 3.31Å; V471-I475 PolarHBondContact O-N 3.12Å
472K96.3Very high93.7Very high59 Ų5950.5 Ų50.526%0.25726%0.257SS..Hα-helixtrans-55.3-48.1173.1-179.8168.7-178.8169.60110.9I410 E413 I414 M468 Q469 I475 T476I410-K472 HydrophobicContact CD1-CB 4.34Å; I410-K472 HydrophobicContact CG1-CD 4.47Å; I410-K472 HydrophobicContact CG2-CB 3.89Å; I410-K472 HydrophobicContact CG2-CD 4.21Å; I410-K472 HydrophobicContact CG2-CG 3.84Å; E413-K472 IonicContact OE2-NZ 2.69Å; E413-K472 PolarHBondContact OE2-NZ 2.8Å; I414-K472 HydrophobicContact CD1-CG 4.36Å; M468-K472 WeakPolarHBondContact O-CB 3.48Å; M468-K472 PolarHBondContact O-N 3.33Å; Q469-K472 PolarHBondContact O-N 2.92Å; K472-I475 PolarHBondContact O-N 3.41Å; K472-T476 WeakPolarHBondContact O-CB 3.49Å; K472-T476 PolarHBondContact O-N 3.34Å; K472-T476 PolarHBondContact O-OG1 3.2Å
473E94.2Very high93.7Very high40 Ų4042.2 Ų42.219%0.18722%0.219CC..Hα-helixtrans-62.5-43.8178-174.9174.7-175.700112.8Q469 V470 V471 I475 T476 R477 R505Q469-E473 WeakPolarHBondContact O-CB 3.26Å; Q469-E473 PolarHBondContact O-N 3.14Å; V470-E473 WeakPolarHBondContact O-CB 3.4Å; V470-E473 PolarHBondContact O-N 3.48Å; V471-E473 VanDerWaalsContact C-N 3.31Å; V471-E473 PolarHBondContact O-N 3.05Å; E473-I475 VanDerWaalsContact C-N 3.31Å; E473-I475 PolarHBondContact O-N 3.06Å; E473-T476 PolarHBondContact O-N 3.43Å; E473-R477 HydrophobicContact CG-CG 4.32Å; E473-R477 WeakPolarHBondContact O-CB 3.46Å; E473-R477 WeakPolarHBondContact O-CG 3.5Å; E473-R477 PolarHBondContact O-N 3.28Å; E473-R477 IonicContact OE1-CZ 3.87Å; E473-R477 VanDerWaalsContact OE1-CZ 3.23Å; E473-R477 IonicContact OE1-NE 3.65Å; E473-R477 PolarHBondContact OE1-NE 2.86Å; E473-R477 IonicContact OE1-NH2 3.21Å; E473-R477 PolarHBondContact OE1-NH2 3.11Å; E473-R505 IonicContact OE2-CZ 3.82Å; E473-R505 IonicContact OE2-NE 3.16Å; E473-R505 PolarHBondContact OE2-NE 3.38Å; E473-R505 IonicContact OE2-NH2 2.86Å; E473-R505 PolarHBondContact OE2-NH2 3.35Å
474Q95.3Very high93.6Very high0 Ų042.7 Ų42.70%022%0.223CC..Hα-helixtrans-56.3-45.7175.1-72.6170.4-49.100111.2L449 T453 V470 V471 T478 V493 L496 I501L449-Q474 HydrophobicContact CD2-CB 4.18Å; T453-Q474 PolarHBondContact OG1-NE2 2.96Å; T453-Q474 PolarHBondContact OG1-OE1 3.36Å; V470-Q474 HydrophobicContact CG1-CG 4.44Å; V470-Q474 VanDerWaalsContact O-CG 3.32Å; V470-Q474 WeakPolarHBondContact O-CG 3.49Å; V470-Q474 PolarHBondContact O-N 2.97Å; V471-Q474 PolarHBondContact O-N 3.08Å; Q474-T478 WeakPolarHBondContact O-CB 3.31Å; Q474-T478 PolarHBondContact O-N 3.38Å; Q474-T478 VanDerWaalsContact O-N 3.15Å; Q474-T478 PolarHBondContact O-OG1 3.3Å; Q474-V493 HydrophobicContact CB-CG2 4.35Å; Q474-L496 PolarHBondContact NE2-O 3.25Å; Q474-I501 HydrophobicContact CG-CD1 3.84Å; Q474-I501 HydrophobicContact CG-CG1 3.7Å
475I96.1Very high93.5Very high0 Ų044.1 Ų44.10%023%0.234CC..Hα-helixtrans-68.6-49-179.7-62.2164.7000110.7L407 L411 I414 C446 L449 V471 K472 E473 T478 L479 F489L407-I475 HydrophobicContact CD1-CD1 3.93Å; L411-I475 HydrophobicContact CD2-CD1 4.38Å; L411-I475 HydrophobicContact CD2-CG2 4.31Å; I414-I475 HydrophobicContact CD1-CB 3.96Å; I414-I475 HydrophobicContact CD1-CG2 3.63Å; C446-I475 HydrophobicContact CB-CD1 3.91Å; C446-I475 VanDerWaalsContact SG-CD1 3.57Å; L449-I475 HydrophobicContact CD2-CG1 4.47Å; V471-I475 HydrophobicContact CG1-CD1 3.76Å; V471-I475 HydrophobicContact CG1-CG1 4.43Å; V471-I475 VanDerWaalsContact O-CG1 3.25Å; V471-I475 WeakPolarHBondContact O-CG1 3.31Å; V471-I475 PolarHBondContact O-N 3.12Å; K472-I475 PolarHBondContact O-N 3.41Å; E473-I475 VanDerWaalsContact C-N 3.31Å; E473-I475 PolarHBondContact O-N 3.06Å; I475-T478 PolarHBondContact O-N 2.63Å; I475-L479 HydrophobicContact CG2-CD1 3.85Å; I475-L479 HydrophobicContact CG2-CG 4.45Å; I475-L479 PolarHBondContact O-N 2.84Å; I475-F489 HydrophobicContact CG2-CZ 4.43Å
476T94.9Very high93.5Very high64 Ų6439.9 Ų39.939%0.39321%0.211SC..Hα-helixtrans-60.8-47.7-178.7-59.60000111.7K472 E473 T478 L479 A480K472-T476 WeakPolarHBondContact O-CB 3.49Å; K472-T476 PolarHBondContact O-N 3.34Å; K472-T476 PolarHBondContact O-OG1 3.2Å; E473-T476 PolarHBondContact O-N 3.43Å; T476-T478 VanDerWaalsContact C-N 3.28Å; T476-T478 PolarHBondContact O-N 3.03Å; T476-L479 PolarHBondContact O-N 3.46Å; T476-A480 WeakPolarHBondContact O-CB 3.28Å; T476-A480 PolarHBondContact O-N 3.49Å
477R92.8Very high93.5Very high81 Ų8139 Ų3931%0.30621%0.209SC..Hα-helixtrans-62-37.4176.8-70.2-171.2-173.1-129.33.6111.6E473 L496 E508E473-R477 HydrophobicContact CG-CG 4.32Å; E473-R477 WeakPolarHBondContact O-CB 3.46Å; E473-R477 WeakPolarHBondContact O-CG 3.5Å; E473-R477 PolarHBondContact O-N 3.28Å; E473-R477 IonicContact OE1-CZ 3.87Å; E473-R477 VanDerWaalsContact OE1-CZ 3.23Å; E473-R477 IonicContact OE1-NE 3.65Å; E473-R477 PolarHBondContact OE1-NE 2.86Å; E473-R477 IonicContact OE1-NH2 3.21Å; E473-R477 PolarHBondContact OE1-NH2 3.11Å; R477-L496 HydrophobicContact CB-CD1 4.41Å; R477-E508 IonicContact CZ-OE1 3.23Å; R477-E508 VanDerWaalsContact CZ-OE1 3.25Å; R477-E508 IonicContact NH1-OE1 2.78Å; R477-E508 PolarHBondContact NH1-OE1 3.22Å; R477-E508 VanDerWaalsContact NH2-CD 3.3Å; R477-E508 IonicContact NH2-OE1 3.77Å; R477-E508 PolarHBondContact NH2-OE1 3.21Å; R477-E508 IonicContact NH2-OE2 2.73Å; R477-E508 PolarHBondContact NH2-OE2 3.16Å; R477-E508 VanDerWaalsContact NH2-OE2 3.07Å
478T94.4Very high93.4Very high2 Ų242.6 Ų42.61%0.01223%0.228CC..Hα-helixtrans-66.7-46.9177.8-57.20000111.8Q474 I475 T476 A480 S481 F489 K492 V493Q474-T478 WeakPolarHBondContact O-CB 3.31Å; Q474-T478 PolarHBondContact O-N 3.38Å; Q474-T478 VanDerWaalsContact O-N 3.15Å; Q474-T478 PolarHBondContact O-OG1 3.3Å; I475-T478 PolarHBondContact O-N 2.63Å; T476-T478 VanDerWaalsContact C-N 3.28Å; T476-T478 PolarHBondContact O-N 3.03Å; T478-A480 VanDerWaalsContact C-N 3.34Å; T478-A480 PolarHBondContact O-N 3.15Å; T478-S481 WeakPolarHBondContact O-CB 3.48Å; T478-S481 PolarHBondContact O-N 3.09Å; T478-S481 PolarHBondContact O-OG 3.32Å; T478-F489 HydrophobicContact CG2-CD2 3.48Å; T478-F489 VanDerWaalsContact CG2-CD2 3.48Å; T478-F489 HydrophobicContact CG2-CE2 3.69Å; T478-F489 HydrophobicContact CG2-CG 4.34Å; T478-K492 HydrophobicContact CG2-CB 3.76Å; T478-V493 HydrophobicContact CG2-CB 4.14Å
479L92.8Very high93.4Very high5 Ų542.3 Ų42.33%0.02623%0.226CC..Hα-helixtrans-69.4-29.5-179.8-72.5172.1000113.1I414 I475 T476 S481 K482 P483 F489I414-L479 HydrophobicContact CG2-CD1 3.53Å; I475-L479 HydrophobicContact CG2-CD1 3.85Å; I475-L479 HydrophobicContact CG2-CG 4.45Å; I475-L479 PolarHBondContact O-N 2.84Å; T476-L479 PolarHBondContact O-N 3.46Å; L479-S481 PolarHBondContact O-N 2.67Å; L479-K482 PolarHBondContact O-N 3.11Å; L479-P483 HydrophobicContact CD2-CG 4.29Å; L479-F489 HydrophobicContact CD2-CD2 3.97Å; L479-F489 HydrophobicContact CD2-CE2 3.91Å; L479-F489 HydrophobicContact CG-CD2 4.43Å; L479-F489 HydrophobicContact CG-CE2 3.95Å
480A90.4Very high93.4Very high79 Ų7940.7 Ų40.765%0.65322%0.217SC*.Hα-helixtrans-58.8-29.1172.200000112.3T476 T478 K482T476-A480 WeakPolarHBondContact O-CB 3.28Å; T476-A480 PolarHBondContact O-N 3.49Å; T478-A480 VanDerWaalsContact C-N 3.34Å; T478-A480 PolarHBondContact O-N 3.15Å; A480-K482 PolarHBondContact O-N 3.19Å
481S89.6Confident93.4Very high54 Ų5445.4 Ų45.438%0.37824%0.243SC..THydrogen-bonded Turntrans-77.78.2174.681.10000114.8T478 L479 K492T478-S481 WeakPolarHBondContact O-CB 3.48Å; T478-S481 PolarHBondContact O-N 3.09Å; T478-S481 PolarHBondContact O-OG 3.32Å; L479-S481 PolarHBondContact O-N 2.67Å; S481-K492 WeakPolarHBondContact OG-CD 3.37Å; S481-K492 PolarHBondContact OG-NZ 2.9Å
482K89.6Confident93.3Very high101 Ų10149.4 Ų49.444%0.43926%0.26SS..  trans42.562.9179.1-66.3-173.2177.2-171.70113.4S427 L479 A480S427-K482 PolarHBondContact OG-NZ 3.39Å; L479-K482 PolarHBondContact O-N 3.11Å; A480-K482 PolarHBondContact O-N 3.19Å
483P92.2Very high93.1Very high3 Ų346.6 Ų46.62%0.01925%0.248CC..  trans-59.4143175.927-33.5000110.6I431 L479 L488 F489I431-P483 WeakPolarHBondContact CB-O 3.42Å; I431-P483 PolarHBondContact N-O 3.25Å; L479-P483 HydrophobicContact CD2-CG 4.29Å; P483-L488 HydrophobicContact CB-CB 4.45Å; P483-F489 HydrophobicContact CB-CB 4.14Å; P483-F489 HydrophobicContact CG-CB 4.1Å; P483-F489 HydrophobicContact CG-CD2 4.1Å
484T90Very high93Very high53 Ų5347.2 Ų47.233%0.32525%0.253SS..SBendtrans-94.4-13.8-178.153.30000113.5Y266 P430 S434 L488Y266-T484 PolarHBondContact OH-O 3.4Å; Y266-T484 VanDerWaalsContact OH-O 3.09Å; P430-T484 HydrophobicContact CB-CG2 4.18Å; S434-T484 VanDerWaalsContact CB-O 3.28Å; S434-T484 WeakPolarHBondContact CB-O 3.41Å; S434-T484 PolarHBondContact OG-O 3.31Å; T484-L488 VanDerWaalsContact OG1-CD1 3.24Å; T484-L488 WeakPolarHBondContact OG1-CD1 3.32Å
485S91.7Very high92.9Very high35 Ų3550.4 Ų50.425%0.24528%0.279CS..SBendtrans-145.9161.4178.272.70000112.3E487 L488 F489S485-E487 VanDerWaalsContact C-N 3.34Å; S485-E487 PolarHBondContact O-N 2.73Å; S485-L488 PolarHBondContact O-N 2.96Å; S485-L488 WeakPolarHBondContact OG-CG 3.42Å; S485-L488 PolarHBondContact OG-N 3.24Å; S485-F489 PolarHBondContact O-N 3.37Å
486L92.6Very high92.7Very high14 Ų1452.2 Ų52.27%0.07329%0.288CS..Hα-helixtrans-62-38.7176.9-172.466.6000112.6I431 Q435 E441 L442 V445 F489 K490I431-L486 HydrophobicContact CD1-CD1 4.4Å; Q435-L486 HydrophobicContact CG-CD2 4.44Å; E441-L486 HydrophobicContact CB-CD1 4.3Å; E441-L486 HydrophobicContact CB-CD2 3.96Å; E441-L486 HydrophobicContact CG-CD2 4.48Å; L442-L486 HydrophobicContact CD2-CD1 4.3Å; V445-L486 HydrophobicContact CG2-CD1 4.07Å; V445-L486 HydrophobicContact CG2-CG 4.45Å; L486-F489 HydrophobicContact CD1-CD1 4.49Å; L486-F489 WeakPolarHBondContact O-CB 3.49Å; L486-F489 PolarHBondContact O-N 3.02Å; L486-K490 WeakPolarHBondContact O-CB 3.47Å; L486-K490 PolarHBondContact O-N 3.16Å
487E93.5Very high92.6Very high106 Ų10651.1 Ų51.150%0.49528%0.28SS..Hα-helixtrans-65.3-40.4177.1-70.3-58.6129.700112S485 K490 N491S485-E487 VanDerWaalsContact C-N 3.34Å; S485-E487 PolarHBondContact O-N 2.73Å; E487-K490 PolarHBondContact O-N 2.92Å; E487-N491 WeakPolarHBondContact O-CB 3.5Å; E487-N491 VanDerWaalsContact O-CG 3.23Å; E487-N491 PolarHBondContact O-N 2.74Å; E487-N491 PolarHBondContact O-ND2 3.15Å
488L93.1Very high92.5Very high77 Ų7750.2 Ų50.240%0.40328%0.277SS..Hα-helixtrans-65.4-40.7174.8-73.5172.4000111.6P483 T484 S485 K492P483-L488 HydrophobicContact CB-CB 4.45Å; T484-L488 VanDerWaalsContact OG1-CD1 3.24Å; T484-L488 WeakPolarHBondContact OG1-CD1 3.32Å; S485-L488 PolarHBondContact O-N 2.96Å; S485-L488 WeakPolarHBondContact OG-CG 3.42Å; S485-L488 PolarHBondContact OG-N 3.24Å; L488-K492 WeakPolarHBondContact O-CB 3.42Å; L488-K492 WeakPolarHBondContact O-CG 3.43Å; L488-K492 PolarHBondContact O-N 2.89Å
489F95.6Very high92.3Very high0 Ų052.9 Ų52.90%030%0.295CS..Hα-helixtrans-59.7-49.8172.6173.7-95000111.1I431 L442 V445 I475 T478 L479 P483 S485 L486 N491 K492 V493I431-F489 HydrophobicContact CD1-CB 3.79Å; I431-F489 HydrophobicContact CD1-CG 4.31Å; L442-F489 HydrophobicContact CD2-CD1 3.69Å; L442-F489 HydrophobicContact CD2-CD2 4.25Å; L442-F489 HydrophobicContact CD2-CE1 3.56Å; L442-F489 HydrophobicContact CD2-CE2 4.16Å; L442-F489 HydrophobicContact CD2-CG 4.05Å; L442-F489 HydrophobicContact CD2-CZ 3.82Å; V445-F489 HydrophobicContact CB-CE1 4.23Å; V445-F489 HydrophobicContact CG1-CD1 4.07Å; V445-F489 HydrophobicContact CG1-CE1 3.83Å; I475-F489 HydrophobicContact CG2-CZ 4.43Å; T478-F489 HydrophobicContact CG2-CD2 3.48Å; T478-F489 VanDerWaalsContact CG2-CD2 3.48Å; T478-F489 HydrophobicContact CG2-CE2 3.69Å; T478-F489 HydrophobicContact CG2-CG 4.34Å; L479-F489 HydrophobicContact CD2-CD2 3.97Å; L479-F489 HydrophobicContact CD2-CE2 3.91Å; L479-F489 HydrophobicContact CG-CD2 4.43Å; L479-F489 HydrophobicContact CG-CE2 3.95Å; P483-F489 HydrophobicContact CB-CB 4.14Å; P483-F489 HydrophobicContact CG-CB 4.1Å; P483-F489 HydrophobicContact CG-CD2 4.1Å; S485-F489 PolarHBondContact O-N 3.37Å; L486-F489 HydrophobicContact CD1-CD1 4.49Å; L486-F489 WeakPolarHBondContact O-CB 3.49Å; L486-F489 PolarHBondContact O-N 3.02Å; F489-N491 PolarHBondContact O-N 3.42Å; F489-K492 PolarHBondContact O-N 2.67Å; F489-V493 HydrophobicContact CE1-CG1 4.21Å; F489-V493 HydrophobicContact CZ-CB 4.43Å; F489-V493 HydrophobicContact CZ-CG2 4.42Å; F489-V493 WeakPolarHBondContact O-CB 3.4Å; F489-V493 WeakPolarHBondContact O-CG1 3.48Å; F489-V493 PolarHBondContact O-N 3.45Å
490K94.9Very high92.3Very high80 Ų8055.9 Ų55.935%0.34831%0.309SS..Hα-helixtrans-58.7-43.3179-177.3-179.6176-173.30112.3V445 L486 E487 N494V445-K490 HydrophobicContact CG1-CB 4.19Å; V445-K490 HydrophobicContact CG1-CG 4.17Å; L486-K490 WeakPolarHBondContact O-CB 3.47Å; L486-K490 PolarHBondContact O-N 3.16Å; E487-K490 PolarHBondContact O-N 2.92Å; K490-N494 VanDerWaalsContact O-CB 3.27Å; K490-N494 WeakPolarHBondContact O-CB 3.34Å; K490-N494 PolarHBondContact O-N 3.23Å; K490-N494 VanDerWaalsContact O-N 3.12Å; K490-N494 PolarHBondContact O-ND2 2.84Å
491N94.7Very high92.3Very high100 Ų10052.1 Ų52.154%0.53528%0.278SS..Hα-helixtrans-67.2-46.4178.9-70.7-21.9000111.6E487 F489 A495E487-N491 WeakPolarHBondContact O-CB 3.5Å; E487-N491 VanDerWaalsContact O-CG 3.23Å; E487-N491 PolarHBondContact O-N 2.74Å; E487-N491 PolarHBondContact O-ND2 3.15Å; F489-N491 PolarHBondContact O-N 3.42Å; N491-A495 WeakPolarHBondContact O-CB 3.45Å; N491-A495 PolarHBondContact O-N 3.3Å
492K93.9Very high92.3Very high85 Ų8553.4 Ų53.437%0.3728%0.28SS..Hα-helixtrans-64-45.9178.9-75.4-179.7169.5-175.60112.2T478 S481 L488 F489 N494 A495 L496T478-K492 HydrophobicContact CG2-CB 3.76Å; S481-K492 WeakPolarHBondContact OG-CD 3.37Å; S481-K492 PolarHBondContact OG-NZ 2.9Å; L488-K492 WeakPolarHBondContact O-CB 3.42Å; L488-K492 WeakPolarHBondContact O-CG 3.43Å; L488-K492 PolarHBondContact O-N 2.89Å; F489-K492 PolarHBondContact O-N 2.67Å; K492-N494 VanDerWaalsContact C-N 3.33Å; K492-N494 PolarHBondContact O-N 3.28Å; K492-A495 PolarHBondContact O-N 3Å; K492-L496 PolarHBondContact O-N 3.29Å; K492-L496 VanDerWaalsContact O-N 3.15Å
493V93.9Very high92.3Very high0 Ų053.6 Ų53.60%028%0.282CS..Hα-helixtrans-68.5-34.5-177.682.70000111.9V445 L449 Q474 T478 F489 L496V445-V493 HydrophobicContact CG1-CG1 4.01Å; L449-V493 HydrophobicContact CD1-CG2 4.4Å; L449-V493 HydrophobicContact CD2-CG1 4.42Å; L449-V493 HydrophobicContact CD2-CG2 3.37Å; L449-V493 HydrophobicContact CG-CG2 4.47Å; Q474-V493 HydrophobicContact CB-CG2 4.35Å; T478-V493 HydrophobicContact CG2-CB 4.14Å; F489-V493 HydrophobicContact CE1-CG1 4.21Å; F489-V493 HydrophobicContact CZ-CB 4.43Å; F489-V493 HydrophobicContact CZ-CG2 4.42Å; F489-V493 WeakPolarHBondContact O-CB 3.4Å; F489-V493 WeakPolarHBondContact O-CG1 3.48Å; F489-V493 PolarHBondContact O-N 3.45Å; V493-L496 PolarHBondContact O-N 2.7Å
494N91.9Very high92.1Very high53 Ų5356.1 Ų56.128%0.28330%0.295SS..Hα-helixtrans-74.2-26.6175.7-80-55.7000113.7K452 K490 K492K452-N494 PolarHBondContact NZ-O 2.98Å; K452-N494 VanDerWaalsContact NZ-O 3.09Å; K490-N494 VanDerWaalsContact O-CB 3.27Å; K490-N494 WeakPolarHBondContact O-CB 3.34Å; K490-N494 PolarHBondContact O-N 3.23Å; K490-N494 VanDerWaalsContact O-N 3.12Å; K490-N494 PolarHBondContact O-ND2 2.84Å; K492-N494 VanDerWaalsContact C-N 3.33Å; K492-N494 PolarHBondContact O-N 3.28Å
495A92.9Very high91.9Very high66 Ų6657.6 Ų57.655%0.54529%0.294SS..Hα-helixtrans-70.9-33.7172.800000111.7N491 K492 N497N491-A495 WeakPolarHBondContact O-CB 3.45Å; N491-A495 PolarHBondContact O-N 3.3Å; K492-A495 PolarHBondContact O-N 3Å; A495-N497 PolarHBondContact O-N 3.04Å
496L92Very high91.5Very high39 Ų3960.5 Ų60.520%0.20430%0.304CS..SBendtrans-77.360.2172.8-68.7173.5000111.9Q474 R477 K492 V493 L504Q474-L496 PolarHBondContact NE2-O 3.25Å; R477-L496 HydrophobicContact CB-CD1 4.41Å; K492-L496 PolarHBondContact O-N 3.29Å; K492-L496 VanDerWaalsContact O-N 3.15Å; V493-L496 PolarHBondContact O-N 2.7Å; L496-L504 HydrophobicContact CD2-CD1 4.33Å
497N91.6Very high91Very high40 Ų4064.2 Ų64.221%0.21433%0.327CS..  trans-67.4172.4176.668.346000112.4A495 S499 E500 I501A495-N497 PolarHBondContact O-N 3.04Å; N497-S499 VanDerWaalsContact C-N 3.26Å; N497-S499 PolarHBondContact O-N 3.13Å; N497-S499 WeakPolarHBondContact OD1-CA 3.24Å; N497-S499 WeakPolarHBondContact OD1-CB 3.45Å; N497-S499 PolarHBondContact OD1-N 3.43Å; N497-S499 PolarHBondContact OD1-OG 3.05Å; N497-E500 PolarHBondContact O-N 2.99Å; N497-E500 VanDerWaalsContact O-N 3.16Å; N497-E500 PolarHBondContact OD1-N 3.11Å; N497-I501 PolarHBondContact O-N 2.99Å
498Y91.6Very high90.5Very high62 Ų6263.2 Ų63.224%0.24332%0.323CS..Hα-helixtrans-57.7-37.3-178176.8-119.8000113.1E456 M457 V470 I501 L502E456-Y498 WeakPolarHBondContact OE2-CB 3.26Å; E456-Y498 PolarHBondContact OE2-N 2.95Å; M457-Y498 HydrophobicContact CE-CE2 4.16Å; M457-Y498 HydrophobicContact CG-CD1 3.77Å; M457-Y498 HydrophobicContact CG-CD2 3.61Å; M457-Y498 HydrophobicContact CG-CE1 3.8Å; M457-Y498 HydrophobicContact CG-CE2 3.64Å; M457-Y498 HydrophobicContact CG-CG 3.68Å; M457-Y498 HydrophobicContact SD-CD2 3.9Å; M457-Y498 HydrophobicContact SD-CE2 3.81Å; V470-Y498 HydrophobicContact CG1-CD2 4.06Å; V470-Y498 HydrophobicContact CG2-CD2 4.48Å; V470-Y498 HydrophobicContact CG2-CE2 4.3Å; Y498-I501 PolarHBondContact O-N 3.21Å; Y498-L502 WeakPolarHBondContact O-CB 3.4Å; Y498-L502 PolarHBondContact O-N 3.3Å
499S90.4Very high89.8Confident58 Ų5866.1 Ų66.141%0.40633%0.328SS..Hα-helixtrans-67.8-37.8179.375.40000112.6N497 L502 K503N497-S499 VanDerWaalsContact C-N 3.26Å; N497-S499 PolarHBondContact O-N 3.13Å; N497-S499 WeakPolarHBondContact OD1-CA 3.24Å; N497-S499 WeakPolarHBondContact OD1-CB 3.45Å; N497-S499 PolarHBondContact OD1-N 3.43Å; N497-S499 PolarHBondContact OD1-OG 3.05Å; S499-L502 PolarHBondContact O-N 3.3Å; S499-K503 WeakPolarHBondContact O-CG 3.18Å; S499-K503 PolarHBondContact O-N 3.45Å
500E91.8Very high88.7Confident68 Ų6869.7 Ų69.732%0.31835%0.347SS..Hα-helixtrans-68.5-40.7174.7-68.2-54.414100111N497 L502 K503 L504N497-E500 PolarHBondContact O-N 2.99Å; N497-E500 VanDerWaalsContact O-N 3.16Å; N497-E500 PolarHBondContact OD1-N 3.11Å; E500-L502 VanDerWaalsContact C-N 3.3Å; E500-L502 PolarHBondContact O-N 3.16Å; E500-K503 PolarHBondContact O-N 2.99Å; E500-K503 IonicContact OE1-NZ 2.81Å; E500-K503 PolarHBondContact OE1-NZ 3.15Å; E500-K503 IonicContact OE2-NZ 3.83Å; E500-L504 WeakPolarHBondContact O-CB 3.23Å; E500-L504 VanDerWaalsContact O-CG 3.28Å; E500-L504 WeakPolarHBondContact O-CG 3.5Å; E500-L504 PolarHBondContact O-N 2.85Å
501I91.2Very high87.6Confident0 Ų068.5 Ų68.50%034%0.342CS..Hα-helixtrans-60.7-41.5171.9-64.7-66.2000111V470 Q474 N497 Y498 L504 R505V470-I501 HydrophobicContact CG1-CG2 4.3Å; Q474-I501 HydrophobicContact CG-CD1 3.84Å; Q474-I501 HydrophobicContact CG-CG1 3.7Å; N497-I501 PolarHBondContact O-N 2.99Å; Y498-I501 PolarHBondContact O-N 3.21Å; I501-L504 PolarHBondContact O-N 3.01Å; I501-R505 HydrophobicContact CG2-CG 4.39Å; I501-R505 WeakPolarHBondContact O-CB 3.31Å; I501-R505 WeakPolarHBondContact O-CG 3.36Å; I501-R505 PolarHBondContact O-N 3.04Å
502L89.3Confident86.5Confident81 Ų8169.3 Ų69.342%0.42434%0.343SS..Hα-helixtrans-65.8-41.1177.9-169.769.8000111.7Y498 S499 E500 R505 Q506Y498-L502 WeakPolarHBondContact O-CB 3.4Å; Y498-L502 PolarHBondContact O-N 3.3Å; S499-L502 PolarHBondContact O-N 3.3Å; E500-L502 VanDerWaalsContact C-N 3.3Å; E500-L502 PolarHBondContact O-N 3.16Å; L502-R505 PolarHBondContact O-N 3.36Å; L502-Q506 VanDerWaalsContact O-CB 3.25Å; L502-Q506 WeakPolarHBondContact O-CB 3.32Å; L502-Q506 PolarHBondContact O-N 3.39Å
503K89.6Confident85.5Confident106 Ų10670.1 Ų70.146%0.46135%0.348SS..Hα-helixtrans-60.5-47173.1-73.4173.1-170.91710111.1S499 E500 R505 Q506 T507S499-K503 WeakPolarHBondContact O-CG 3.18Å; S499-K503 PolarHBondContact O-N 3.45Å; E500-K503 PolarHBondContact O-N 2.99Å; E500-K503 IonicContact OE1-NZ 2.81Å; E500-K503 PolarHBondContact OE1-NZ 3.15Å; E500-K503 IonicContact OE2-NZ 3.83Å; K503-R505 PolarHBondContact O-N 3.24Å; K503-Q506 PolarHBondContact O-N 3.06Å; K503-T507 WeakPolarHBondContact O-CB 3.3Å; K503-T507 PolarHBondContact O-N 2.96Å; K503-T507 PolarHBondContact O-OG1 3.17Å
504L87.6Confident84.5Confident56 Ų5674.9 Ų74.929%0.29337%0.37SS..Hα-helixtrans-58.8-48.9177.1-71.5169.8000111L496 E500 I501 Q506 T507 E508L496-L504 HydrophobicContact CD2-CD1 4.33Å; E500-L504 WeakPolarHBondContact O-CB 3.23Å; E500-L504 VanDerWaalsContact O-CG 3.28Å; E500-L504 WeakPolarHBondContact O-CG 3.5Å; E500-L504 PolarHBondContact O-N 2.85Å; I501-L504 PolarHBondContact O-N 3.01Å; L504-Q506 VanDerWaalsContact C-N 3.32Å; L504-Q506 PolarHBondContact O-N 3.19Å; L504-T507 PolarHBondContact O-N 3.09Å; L504-E508 VanDerWaalsContact O-CB 3.3Å; L504-E508 WeakPolarHBondContact O-CB 3.27Å; L504-E508 WeakPolarHBondContact O-CG 3.38Å; L504-E508 PolarHBondContact O-N 3.4Å
505R87Confident83.6Confident84 Ų8473.2 Ų73.232%0.31736%0.362SS..Hα-helixtrans-62.2-36.9175.5-72.8176.8179.8-177.3-0.2112.8E473 I501 L502 K503 R509E473-R505 IonicContact OE2-CZ 3.82Å; E473-R505 IonicContact OE2-NE 3.16Å; E473-R505 PolarHBondContact OE2-NE 3.38Å; E473-R505 IonicContact OE2-NH2 2.86Å; E473-R505 PolarHBondContact OE2-NH2 3.35Å; I501-R505 HydrophobicContact CG2-CG 4.39Å; I501-R505 WeakPolarHBondContact O-CB 3.31Å; I501-R505 WeakPolarHBondContact O-CG 3.36Å; I501-R505 PolarHBondContact O-N 3.04Å; L502-R505 PolarHBondContact O-N 3.36Å; K503-R505 PolarHBondContact O-N 3.24Å; R505-R509 VanDerWaalsContact O-CB 3.26Å; R505-R509 WeakPolarHBondContact O-CB 3.47Å; R505-R509 PolarHBondContact O-N 3.42Å
506Q83.5Confident83Confident95 Ų9574.6 Ų74.644%0.44436%0.36SS..Hα-helixtrans-70-43.8178.1-177.11762.600111L502 K503 L504 E508 R509 L510L502-Q506 VanDerWaalsContact O-CB 3.25Å; L502-Q506 WeakPolarHBondContact O-CB 3.32Å; L502-Q506 PolarHBondContact O-N 3.39Å; K503-Q506 PolarHBondContact O-N 3.06Å; L504-Q506 VanDerWaalsContact C-N 3.32Å; L504-Q506 PolarHBondContact O-N 3.19Å; Q506-E508 VanDerWaalsContact C-N 3.32Å; Q506-R509 PolarHBondContact O-N 3.45Å; Q506-L510 HydrophobicContact CG-CD1 4.06Å; Q506-L510 HydrophobicContact CG-CG 4.36Å; Q506-L510 WeakPolarHBondContact O-CB 3.32Å; Q506-L510 WeakPolarHBondContact O-CG 3.45Å; Q506-L510 PolarHBondContact O-N 2.95Å
507T81.8Confident82.6Confident93 Ų9373.6 Ų73.657%0.57136%0.357SS*.Hα-helixtrans-61.6-43.5173.5-57.60000110.5K503 L504 R509 H511K503-T507 WeakPolarHBondContact O-CB 3.3Å; K503-T507 PolarHBondContact O-N 2.96Å; K503-T507 PolarHBondContact O-OG1 3.17Å; L504-T507 PolarHBondContact O-N 3.09Å; T507-R509 VanDerWaalsContact C-N 3.35Å; T507-R509 PolarHBondContact O-N 3.2Å; T507-H511 WeakPolarHBondContact O-CB 3.44Å; T507-H511 PolarHBondContact O-N 3.47Å
508E81.4Confident82.2Confident85 Ų8574.8 Ų74.840%0.39737%0.367SS..Hα-helixtrans-61.7-41.3174.7-73.2161.8-169.100111.4R477 L504 Q506 Q512R477-E508 IonicContact CZ-OE1 3.23Å; R477-E508 VanDerWaalsContact CZ-OE1 3.25Å; R477-E508 IonicContact NH1-OE1 2.78Å; R477-E508 PolarHBondContact NH1-OE1 3.22Å; R477-E508 VanDerWaalsContact NH2-CD 3.3Å; R477-E508 IonicContact NH2-OE1 3.77Å; R477-E508 PolarHBondContact NH2-OE1 3.21Å; R477-E508 IonicContact NH2-OE2 2.73Å; R477-E508 PolarHBondContact NH2-OE2 3.16Å; R477-E508 VanDerWaalsContact NH2-OE2 3.07Å; L504-E508 VanDerWaalsContact O-CB 3.3Å; L504-E508 WeakPolarHBondContact O-CB 3.27Å; L504-E508 WeakPolarHBondContact O-CG 3.38Å; L504-E508 PolarHBondContact O-N 3.4Å; Q506-E508 VanDerWaalsContact C-N 3.32Å; E508-Q512 VanDerWaalsContact O-CB 3.28Å; E508-Q512 WeakPolarHBondContact O-CB 3.38Å; E508-Q512 PolarHBondContact O-N 3.39Å
509R78.6Confident82Confident138 Ų13874 Ų7452%0.52137%0.369SS..Hα-helixtrans-71.9-43.4178.1-165.9-175.674.8-159.5-6.2113.1R505 Q506 T507 H511 Q512 E513R505-R509 VanDerWaalsContact O-CB 3.26Å; R505-R509 WeakPolarHBondContact O-CB 3.47Å; R505-R509 PolarHBondContact O-N 3.42Å; Q506-R509 PolarHBondContact O-N 3.45Å; T507-R509 VanDerWaalsContact C-N 3.35Å; T507-R509 PolarHBondContact O-N 3.2Å; R509-H511 VanDerWaalsContact C-N 3.3Å; R509-H511 PolarHBondContact O-N 3.23Å; R509-Q512 CarbonylContact O-C 3.15Å; R509-Q512 WeakPolarHBondContact O-CA 3.39Å; R509-Q512 WeakPolarHBondContact O-CB 3.32Å; R509-Q512 PolarHBondContact O-N 3.35Å; R509-Q512 VanDerWaalsContact O-N 3.1Å; R509-E513 HydrophobicContact CG-CG 4.49Å; R509-E513 IonicContact NE-OE1 2.83Å; R509-E513 PolarHBondContact NE-OE1 3.44Å; R509-E513 VanDerWaalsContact NE-OE1 3.16Å; R509-E513 WeakPolarHBondContact O-CG 3.3Å; R509-E513 PolarHBondContact O-N 3Å
510L72.7Confident81.7Confident74 Ų7471.4 Ų71.439%0.38735%0.351SS..Hα-helixtrans-60.8-44.8175.1-75.4170.9000110Q506 Q512 E513 E514Q506-L510 HydrophobicContact CG-CD1 4.06Å; Q506-L510 HydrophobicContact CG-CG 4.36Å; Q506-L510 WeakPolarHBondContact O-CB 3.32Å; Q506-L510 WeakPolarHBondContact O-CG 3.45Å; Q506-L510 PolarHBondContact O-N 2.95Å; L510-Q512 VanDerWaalsContact C-N 3.26Å; L510-Q512 PolarHBondContact O-N 3.07Å; L510-E513 PolarHBondContact O-N 2.8Å; L510-E514 WeakPolarHBondContact O-CB 3.38Å; L510-E514 WeakPolarHBondContact O-CG 3.46Å; L510-E514 PolarHBondContact O-N 2.91Å
511H72.3Confident81.5Confident56 Ų5671.7 Ų71.726%0.25936%0.355SS..Hα-helixtrans-61.4-37.5173.8-169.745.9000111.9T507 R509 T515 K681T507-H511 WeakPolarHBondContact O-CB 3.44Å; T507-H511 PolarHBondContact O-N 3.47Å; R509-H511 VanDerWaalsContact C-N 3.3Å; R509-H511 PolarHBondContact O-N 3.23Å; H511-T515 VanDerWaalsContact O-CB 3.3Å; H511-T515 WeakPolarHBondContact O-CB 3.09Å; H511-T515 WeakPolarHBondContact O-CG2 3.25Å; H511-T515 PolarHBondContact O-N 3Å; H511-T515 PolarHBondContact O-OG1 3.42Å; H511-K681 WeakPolarHBondContact CE1-CE 3.26Å; H511-K681 WeakPolarHBondContact NE2-CE 3.21Å; H511-K681 PolarHBondContact NE2-NZ 2.86Å
512Q72.8Confident81.3Confident117 Ų11777.3 Ų77.355%0.54738%0.381SS..Hα-helixtrans-68.3-42.4174.9-165.9173.920.500112.5E508 R509 L510 T515 L516E508-Q512 VanDerWaalsContact O-CB 3.28Å; E508-Q512 WeakPolarHBondContact O-CB 3.38Å; E508-Q512 PolarHBondContact O-N 3.39Å; R509-Q512 CarbonylContact O-C 3.15Å; R509-Q512 WeakPolarHBondContact O-CA 3.39Å; R509-Q512 WeakPolarHBondContact O-CB 3.32Å; R509-Q512 PolarHBondContact O-N 3.35Å; R509-Q512 VanDerWaalsContact O-N 3.1Å; L510-Q512 VanDerWaalsContact C-N 3.26Å; L510-Q512 PolarHBondContact O-N 3.07Å; Q512-T515 WeakPolarHBondContact CA-OG1 3.29Å; Q512-T515 PolarHBondContact O-N 3.05Å; Q512-T515 PolarHBondContact O-OG1 2.93Å; Q512-L516 HydrophobicContact CG-CD1 3.85Å; Q512-L516 HydrophobicContact CG-CG 4.45Å; Q512-L516 WeakPolarHBondContact O-CB 3.34Å; Q512-L516 WeakPolarHBondContact O-CD1 3.48Å; Q512-L516 WeakPolarHBondContact O-CG 3.36Å; Q512-L516 PolarHBondContact O-N 3.2Å; Q512-L516 VanDerWaalsContact O-N 3.07Å
513E72.8Confident81.3Confident102 Ų10275.7 Ų75.748%0.47737%0.373SS..Hα-helixtrans-63.6-47.7177.2-76.2170.7-161.400111.2R509 L510 T515 L516 A517R509-E513 HydrophobicContact CG-CG 4.49Å; R509-E513 IonicContact NE-OE1 2.83Å; R509-E513 PolarHBondContact NE-OE1 3.44Å; R509-E513 VanDerWaalsContact NE-OE1 3.16Å; R509-E513 WeakPolarHBondContact O-CG 3.3Å; R509-E513 PolarHBondContact O-N 3Å; L510-E513 PolarHBondContact O-N 2.8Å; E513-T515 VanDerWaalsContact C-N 3.32Å; E513-T515 PolarHBondContact O-N 3.44Å; E513-L516 PolarHBondContact O-N 3.01Å; E513-L516 VanDerWaalsContact O-N 3.13Å; E513-A517 PolarHBondContact O-N 3.15Å; E513-A517 VanDerWaalsContact O-N 3.16Å
514E72.8Confident81.3Confident100 Ų10072.9 Ų72.947%0.46736%0.36SS..Hα-helixtrans-59.2-42.8175-73.1172.9173.900111.7L510 L516 A517 V520L510-E514 WeakPolarHBondContact O-CB 3.38Å; L510-E514 WeakPolarHBondContact O-CG 3.46Å; L510-E514 PolarHBondContact O-N 2.91Å; E514-L516 PolarHBondContact O-N 3.28Å; E514-A517 PolarHBondContact O-N 2.84Å; E514-V520 WeakPolarHBondContact O-CG2 3.3Å
515T71.9Confident81.4Confident18 Ų1875.8 Ų75.811%0.1137%0.372CS..Hα-helixtrans-74.8-10.4179.956.10000114H511 Q512 E513 K524H511-T515 VanDerWaalsContact O-CB 3.3Å; H511-T515 WeakPolarHBondContact O-CB 3.09Å; H511-T515 WeakPolarHBondContact O-CG2 3.25Å; H511-T515 PolarHBondContact O-N 3Å; H511-T515 PolarHBondContact O-OG1 3.42Å; Q512-T515 WeakPolarHBondContact CA-OG1 3.29Å; Q512-T515 PolarHBondContact O-N 3.05Å; Q512-T515 PolarHBondContact O-OG1 2.93Å; E513-T515 VanDerWaalsContact C-N 3.32Å; E513-T515 PolarHBondContact O-N 3.44Å; T515-K524 WeakPolarHBondContact O-CE 3.31Å; T515-K524 PolarHBondContact O-NZ 3.49Å
516L80.4Confident81.7Confident94 Ų9480.9 Ų80.949%0.49239%0.392SS..Hα-helixtrans-105.3-4.1177.5-70174.7000113.6Q512 E513 E514 L521Q512-L516 HydrophobicContact CG-CD1 3.85Å; Q512-L516 HydrophobicContact CG-CG 4.45Å; Q512-L516 WeakPolarHBondContact O-CB 3.34Å; Q512-L516 WeakPolarHBondContact O-CD1 3.48Å; Q512-L516 WeakPolarHBondContact O-CG 3.36Å; Q512-L516 PolarHBondContact O-N 3.2Å; Q512-L516 VanDerWaalsContact O-N 3.07Å; E513-L516 PolarHBondContact O-N 3.01Å; E513-L516 VanDerWaalsContact O-N 3.13Å; E514-L516 PolarHBondContact O-N 3.28Å; L516-L521 HydrophobicContact CD2-CD2 4.34Å; L516-L521 WeakPolarHBondContact O-CD1 3.45Å
517A82.8Confident82.1Confident19 Ų1976.9 Ų76.916%0.15737%0.373CS..SBendtrans-58.5139.2175.400000111.1E513 E514 V520 L521 I692E513-A517 PolarHBondContact O-N 3.15Å; E513-A517 VanDerWaalsContact O-N 3.16Å; E514-A517 PolarHBondContact O-N 2.84Å; A517-V520 HydrophobicContact CB-CB 4.4Å; A517-V520 HydrophobicContact CB-CG2 4.14Å; A517-V520 WeakPolarHBondContact O-CA 3.32Å; A517-V520 WeakPolarHBondContact O-CB 3.47Å; A517-V520 PolarHBondContact O-N 3.29Å; A517-L521 PolarHBondContact O-N 3.26Å; A517-I692 HydrophobicContact CB-CG2 4.49Å
518P85.1Confident82.6Confident64 Ų6475.7 Ų75.742%0.41636%0.36SS..Hα-helixtrans-53.5-44-174.5-23.330.6000114.9V520 L521 E522P518-V520 VanDerWaalsContact C-N 3.26Å; P518-V520 PolarHBondContact O-N 2.99Å; P518-L521 PolarHBondContact O-N 3.03Å; P518-E522 PolarHBondContact O-N 3.48Å
519P86.1Confident83.2Confident45 Ų4575.5 Ų75.529%0.29237%0.366SS..Hα-helixtrans-62.9-32.3176.2-22.134000113.3L523 I692 P693P519-L523 WeakPolarHBondContact O-CB 3.47Å; P519-L523 PolarHBondContact O-N 2.85Å; P519-I692 HydrophobicContact CB-CG2 4.25Å; P519-I692 HydrophobicContact CG-CG2 4Å; P519-P693 VanDerWaalsContact CG-O 3.32Å; P519-P693 WeakPolarHBondContact CG-O 3.45Å
520V85.6Confident83.9Confident4 Ų475.4 Ų75.42%0.02437%0.371CS..Hα-helixtrans-75-35.4177.8-179.20000110.9E514 A517 P518 L523 K524 I680 L684 I692E514-V520 WeakPolarHBondContact O-CG2 3.3Å; A517-V520 HydrophobicContact CB-CB 4.4Å; A517-V520 HydrophobicContact CB-CG2 4.14Å; A517-V520 WeakPolarHBondContact O-CA 3.32Å; A517-V520 WeakPolarHBondContact O-CB 3.47Å; A517-V520 PolarHBondContact O-N 3.29Å; P518-V520 VanDerWaalsContact C-N 3.26Å; P518-V520 PolarHBondContact O-N 2.99Å; V520-L523 PolarHBondContact O-N 2.93Å; V520-K524 WeakPolarHBondContact O-CB 3.41Å; V520-K524 WeakPolarHBondContact O-CG 3.49Å; V520-K524 PolarHBondContact O-N 3.21Å; V520-I680 HydrophobicContact CG1-CD1 4.4Å; V520-I680 HydrophobicContact CG1-CG2 3.65Å; V520-L684 HydrophobicContact CG2-CD1 4.41Å; V520-L684 HydrophobicContact CG2-CD2 4.4Å; V520-I692 HydrophobicContact CG2-CD1 3.8Å
521L87.1Confident84.9Confident75 Ų7572.6 Ų72.639%0.39336%0.357SS..Hα-helixtrans-66.2-40.6171.3-66.1179.6000112L516 A517 P518 L523 K524 E525L516-L521 HydrophobicContact CD2-CD2 4.34Å; L516-L521 WeakPolarHBondContact O-CD1 3.45Å; A517-L521 PolarHBondContact O-N 3.26Å; P518-L521 PolarHBondContact O-N 3.03Å; L521-L523 VanDerWaalsContact C-N 3.34Å; L521-K524 HydrophobicContact CD2-CD 4.05Å; L521-K524 WeakPolarHBondContact O-CB 3.28Å; L521-K524 PolarHBondContact O-N 3.45Å; L521-E525 PolarHBondContact O-N 3.38Å; L521-E525 VanDerWaalsContact O-N 3.08Å
522E87.3Confident85.9Confident118 Ų11871.5 Ų71.555%0.55135%0.353SS*.Hα-helixtrans-62.5-42.9173.1-73.3-176.4-164.200111.5P518 E525 R526P518-E522 PolarHBondContact O-N 3.48Å; E522-E525 PolarHBondContact O-N 3.25Å; E522-R526 WeakPolarHBondContact O-CG 3.33Å; E522-R526 PolarHBondContact O-N 2.94Å; E522-R526 VanDerWaalsContact O-N 3.09Å
523L88.7Confident86.8Confident47 Ų4770.1 Ų70.125%0.24635%0.346CS..Hα-helixtrans-63.4-42.1175.2-176.462000111.5P519 V520 L521 E525 R526 L527 R683P519-L523 WeakPolarHBondContact O-CB 3.47Å; P519-L523 PolarHBondContact O-N 2.85Å; V520-L523 PolarHBondContact O-N 2.93Å; L521-L523 VanDerWaalsContact C-N 3.34Å; L523-E525 PolarHBondContact O-N 3.39Å; L523-R526 PolarHBondContact O-N 2.92Å; L523-L527 HydrophobicContact CD1-CD1 4.01Å; L523-L527 HydrophobicContact CD1-CG 4.07Å; L523-L527 HydrophobicContact CD2-CD1 4.39Å; L523-L527 HydrophobicContact CG-CD1 3.78Å; L523-L527 HydrophobicContact CG-CG 4.27Å; L523-L527 WeakPolarHBondContact O-CG 3.49Å; L523-L527 PolarHBondContact O-N 3.31Å; L523-R683 HydrophobicContact CD2-CB 4.19Å; L523-R683 HydrophobicContact CD2-CG 4.39Å
524K89.1Confident87.8Confident46 Ų4669.5 Ų69.520%0.235%0.346CS..Hα-helixtrans-52.6-52.6173.5-87.3171.5173.4-175.80111.7T515 V520 L521 R526 L527 K528 L676 I680T515-K524 WeakPolarHBondContact O-CE 3.31Å; T515-K524 PolarHBondContact O-NZ 3.49Å; V520-K524 WeakPolarHBondContact O-CB 3.41Å; V520-K524 WeakPolarHBondContact O-CG 3.49Å; V520-K524 PolarHBondContact O-N 3.21Å; L521-K524 HydrophobicContact CD2-CD 4.05Å; L521-K524 WeakPolarHBondContact O-CB 3.28Å; L521-K524 PolarHBondContact O-N 3.45Å; K524-R526 VanDerWaalsContact C-N 3.28Å; K524-R526 PolarHBondContact O-N 2.59Å; K524-L527 PolarHBondContact O-N 2.78Å; K524-K528 VanDerWaalsContact O-CB 3.32Å; K524-K528 WeakPolarHBondContact O-CB 3.43Å; K524-K528 PolarHBondContact O-N 3.28Å; K524-L676 HydrophobicContact CG-CD2 4.48Å; K524-I680 HydrophobicContact CB-CD1 4.49Å; K524-I680 HydrophobicContact CD-CD1 3.78Å; K524-I680 HydrophobicContact CG-CD1 3.17Å; K524-I680 HydrophobicContact CG-CG1 4.22Å
525E90.7Very high88.9Confident117 Ų11764.9 Ų64.955%0.54732%0.324SS..Hα-helixtrans-67.8-28.7-178.4-72.5-61.6131.700112.5L521 E522 L523 K528 P529L521-E525 PolarHBondContact O-N 3.38Å; L521-E525 VanDerWaalsContact O-N 3.08Å; E522-E525 PolarHBondContact O-N 3.25Å; L523-E525 PolarHBondContact O-N 3.39Å; E525-K528 IonicContact OE1-NZ 3.81Å; E525-K528 PolarHBondContact OE1-NZ 3.1Å; E525-K528 IonicContact OE2-NZ 2.79Å; E525-K528 PolarHBondContact OE2-NZ 3.17Å; E525-P529 WeakPolarHBondContact O-CD 3.14Å
526R91.8Very high89.9Confident192 Ų19266.6 Ų66.673%0.72533%0.329SS*.Hα-helixtrans-72.1-37.5173.1-72.9-179.7-176.3-178.86.2113.6E522 L523 K524 P529E522-R526 WeakPolarHBondContact O-CG 3.33Å; E522-R526 PolarHBondContact O-N 2.94Å; E522-R526 VanDerWaalsContact O-N 3.09Å; L523-R526 PolarHBondContact O-N 2.92Å; K524-R526 VanDerWaalsContact C-N 3.28Å; K524-R526 PolarHBondContact O-N 2.59Å; R526-P529 WeakPolarHBondContact O-CD 3.31Å
527L92.1Very high90.5Very high10 Ų1066.9 Ų66.95%0.05233%0.327CS..Hα-helixtrans-80.2-27.8-179-68.7171.8000113L523 K524 P529 E530 L531 L676 E679 I680L523-L527 HydrophobicContact CD1-CD1 4.01Å; L523-L527 HydrophobicContact CD1-CG 4.07Å; L523-L527 HydrophobicContact CD2-CD1 4.39Å; L523-L527 HydrophobicContact CG-CD1 3.78Å; L523-L527 HydrophobicContact CG-CG 4.27Å; L523-L527 WeakPolarHBondContact O-CG 3.49Å; L523-L527 PolarHBondContact O-N 3.31Å; K524-L527 PolarHBondContact O-N 2.78Å; L527-P529 VanDerWaalsContact C-CD 3.46Å; L527-E530 PolarHBondContact O-N 3.42Å; L527-E530 VanDerWaalsContact O-N 3.14Å; L527-L531 HydrophobicContact CB-CD1 4.42Å; L527-L531 PolarHBondContact O-N 3.27Å; L527-L531 VanDerWaalsContact O-N 3.11Å; L527-L676 HydrophobicContact CB-CD2 4.15Å; L527-E679 HydrophobicContact CD1-CB 4.44Å; L527-E679 HydrophobicContact CD1-CG 3.73Å; L527-E679 HydrophobicContact CD2-CG 4.23Å; L527-I680 HydrophobicContact CD1-CG1 4.41Å
528K92.4Very high91.1Very high69 Ų6968.6 Ų68.630%0.333%0.332SS..Hα-helixtrans-51.5-43-175.4-175.7-178.6-173.4178.10114.9K524 E525 L532 L672 L676K524-K528 VanDerWaalsContact O-CB 3.32Å; K524-K528 WeakPolarHBondContact O-CB 3.43Å; K524-K528 PolarHBondContact O-N 3.28Å; E525-K528 IonicContact OE1-NZ 3.81Å; E525-K528 PolarHBondContact OE1-NZ 3.1Å; E525-K528 IonicContact OE2-NZ 2.79Å; E525-K528 PolarHBondContact OE2-NZ 3.17Å; K528-L532 HydrophobicContact CG-CD1 4Å; K528-L532 HydrophobicContact CG-CG 4.44Å; K528-L532 VanDerWaalsContact O-CB 3.26Å; K528-L532 WeakPolarHBondContact O-CB 3.44Å; K528-L532 VanDerWaalsContact O-CG 3.26Å; K528-L532 WeakPolarHBondContact O-CG 3.35Å; K528-L532 PolarHBondContact O-N 3.18Å; K528-L672 HydrophobicContact CG-CD1 4.47Å; K528-L672 HydrophobicContact CG-CD2 4.28Å; K528-L676 HydrophobicContact CB-CD2 4.48Å
529P93.4Very high91.5Very high81 Ų8165.5 Ų65.553%0.52631%0.312SS..Hα-helixtrans-64.5-40.2178.9-21.134.3000113.1E525 R526 L527 L532 E533E525-P529 WeakPolarHBondContact O-CD 3.14Å; R526-P529 WeakPolarHBondContact O-CD 3.31Å; L527-P529 VanDerWaalsContact C-CD 3.46Å; P529-L532 PolarHBondContact O-N 3.42Å; P529-E533 PolarHBondContact O-N 3.05Å
530E93.8Very high91.9Very high135 Ų13564.6 Ų64.663%0.63131%0.305SS*.Hα-helixtrans-66.5-45.1179.2-176.3179.5-179.200111.1L527 E533 L534L527-E530 PolarHBondContact O-N 3.42Å; L527-E530 VanDerWaalsContact O-N 3.14Å; E530-E533 WeakPolarHBondContact O-CB 3.4Å; E530-E533 PolarHBondContact O-N 3.36Å; E530-L534 PolarHBondContact O-N 3.21Å
531L93.4Very high92.3Very high15 Ų1568.8 Ų68.88%0.07933%0.327CS..Hα-helixtrans-69.1-35.8177.5-63.4178.2000112.4L527 E533 L534 I535 L672 L675 L676 E679L527-L531 HydrophobicContact CB-CD1 4.42Å; L527-L531 PolarHBondContact O-N 3.27Å; L527-L531 VanDerWaalsContact O-N 3.11Å; L531-E533 VanDerWaalsContact C-N 3.28Å; L531-E533 PolarHBondContact O-N 3.11Å; L531-L534 WeakPolarHBondContact O-CB 3.48Å; L531-L534 PolarHBondContact O-N 3.38Å; L531-I535 WeakPolarHBondContact O-CG1 3.4Å; L531-I535 PolarHBondContact O-N 3.23Å; L531-L672 HydrophobicContact CB-CD1 4Å; L531-L675 HydrophobicContact CD1-CB 4.15Å; L531-L675 HydrophobicContact CD2-CB 4.3Å; L531-L676 HydrophobicContact CD1-CB 4.32Å; L531-L676 HydrophobicContact CD1-CD2 3.59Å; L531-L676 HydrophobicContact CD1-CG 3.73Å; L531-E679 HydrophobicContact CD1-CB 4.33Å
532L92.9Very high92.5Very high34 Ų3470.5 Ų70.518%0.17833%0.328CS..Hα-helixtrans-61.7-38.9171.3-82.7172.5000111.3K528 P529 L534 I535 R536 M663 M668 L672K528-L532 HydrophobicContact CG-CD1 4Å; K528-L532 HydrophobicContact CG-CG 4.44Å; K528-L532 VanDerWaalsContact O-CB 3.26Å; K528-L532 WeakPolarHBondContact O-CB 3.44Å; K528-L532 VanDerWaalsContact O-CG 3.26Å; K528-L532 WeakPolarHBondContact O-CG 3.35Å; K528-L532 PolarHBondContact O-N 3.18Å; P529-L532 PolarHBondContact O-N 3.42Å; L532-L534 VanDerWaalsContact C-N 3.35Å; L532-I535 PolarHBondContact O-N 2.78Å; L532-R536 VanDerWaalsContact O-CG 3.32Å; L532-R536 WeakPolarHBondContact O-CG 3.34Å; L532-R536 PolarHBondContact O-N 3.06Å; L532-M663 HydrophobicContact CD2-CE 4.17Å; L532-M668 HydrophobicContact CD2-SD 3.88Å; L532-L672 HydrophobicContact CD2-CD1 4.13Å; L532-L672 HydrophobicContact CD2-CD2 3.8Å; L532-L672 HydrophobicContact CD2-CG 4.47Å; L532-L672 HydrophobicContact CG-CD1 3.96Å; L532-L672 HydrophobicContact CG-CD2 4.11Å
533E92.9Very high92.8Very high87 Ų8764.9 Ų64.941%0.40730%0.302SS..Hα-helixtrans-66.4-37.9175.6-170.755.5-151.400111.9P529 E530 L531 I535 R536 Q537P529-E533 PolarHBondContact O-N 3.05Å; E530-E533 WeakPolarHBondContact O-CB 3.4Å; E530-E533 PolarHBondContact O-N 3.36Å; L531-E533 VanDerWaalsContact C-N 3.28Å; L531-E533 PolarHBondContact O-N 3.11Å; E533-I535 VanDerWaalsContact C-N 3.35Å; E533-I535 PolarHBondContact O-N 3.38Å; E533-R536 WeakPolarHBondContact O-CB 3.32Å; E533-R536 PolarHBondContact O-N 3.34Å; E533-R536 WeakPolarHBondContact OE2-CD 3.21Å; E533-Q537 WeakPolarHBondContact O-CG 3.42Å; E533-Q537 PolarHBondContact O-N 3.28Å
534L94.3Very high92.9Very high89 Ų8963.4 Ų63.447%0.46630%0.296SS..Hα-helixtrans-60.6-44.1172.2-175.267.7000111.7E530 L531 L532 Q537 Q538 L675E530-L534 PolarHBondContact O-N 3.21Å; L531-L534 WeakPolarHBondContact O-CB 3.48Å; L531-L534 PolarHBondContact O-N 3.38Å; L532-L534 VanDerWaalsContact C-N 3.35Å; L534-Q537 PolarHBondContact O-N 3.26Å; L534-Q538 PolarHBondContact O-N 2.72Å; L534-L675 HydrophobicContact CD2-CD1 4.26Å
535I94.1Very high93Very high3 Ų365.7 Ų65.72%0.01531%0.307CS..Hα-helixtrans-63.6-42.4174.9-63.9169000110.2L531 L532 E533 Q537 Q538 R539 M663 M668 E671 L672 L675L531-I535 WeakPolarHBondContact O-CG1 3.4Å; L531-I535 PolarHBondContact O-N 3.23Å; L532-I535 PolarHBondContact O-N 2.78Å; E533-I535 VanDerWaalsContact C-N 3.35Å; E533-I535 PolarHBondContact O-N 3.38Å; I535-Q537 VanDerWaalsContact C-N 3.33Å; I535-Q537 PolarHBondContact O-N 3.06Å; I535-Q538 WeakPolarHBondContact O-CB 3.48Å; I535-Q538 PolarHBondContact O-N 3.42Å; I535-Q538 VanDerWaalsContact O-N 3.14Å; I535-R539 HydrophobicContact CG2-CG 4.26Å; I535-R539 WeakPolarHBondContact O-CG 3.37Å; I535-R539 PolarHBondContact O-N 3.08Å; I535-M663 HydrophobicContact CB-CE 4.18Å; I535-M663 HydrophobicContact CG2-CE 3.83Å; I535-M663 HydrophobicContact CG2-SD 3.98Å; I535-M668 HydrophobicContact CG2-CG 4.15Å; I535-E671 HydrophobicContact CD1-CB 4.22Å; I535-L672 HydrophobicContact CD1-CB 3.73Å; I535-L672 HydrophobicContact CD1-CD1 4.15Å; I535-L675 HydrophobicContact CD1-CD1 4.08Å; I535-L675 HydrophobicContact CG1-CD1 3.76Å
536R94.4Very high92.9Very high55 Ų5560.7 Ų60.721%0.20829%0.287CS..Hα-helixtrans-55.7-48.2175.4-76.1-178.1157108.92.1111.3L532 E533 Q538 R539 L540 V657 D662 M663L532-R536 VanDerWaalsContact O-CG 3.32Å; L532-R536 WeakPolarHBondContact O-CG 3.34Å; L532-R536 PolarHBondContact O-N 3.06Å; E533-R536 WeakPolarHBondContact O-CB 3.32Å; E533-R536 PolarHBondContact O-N 3.34Å; E533-R536 WeakPolarHBondContact OE2-CD 3.21Å; R536-Q538 VanDerWaalsContact C-N 3.35Å; R536-Q538 PolarHBondContact O-N 3.44Å; R536-R539 PolarHBondContact O-N 2.86Å; R536-L540 WeakPolarHBondContact O-CG 3.36Å; R536-L540 PolarHBondContact O-N 2.62Å; R536-V657 HydrophobicContact CB-CG1 4.21Å; R536-V657 HydrophobicContact CB-CG2 4.43Å; R536-V657 HydrophobicContact CG-CG1 4.19Å; R536-V657 HydrophobicContact CG-CG2 3.86Å; R536-D662 IonicContact NH2-OD1 3.73Å; R536-D662 PolarHBondContact NH2-OD1 2.93Å; R536-M663 HydrophobicContact CG-CE 3.54Å; R536-M663 HydrophobicContact CG-SD 4.2Å
537Q93.4Very high92.9Very high99 Ų9952.7 Ų52.746%0.46326%0.259SS..Hα-helixtrans-61.9-42.1176.5-69.81768.700111.9E533 L534 I535 R539 L540 N541E533-Q537 WeakPolarHBondContact O-CG 3.42Å; E533-Q537 PolarHBondContact O-N 3.28Å; L534-Q537 PolarHBondContact O-N 3.26Å; I535-Q537 VanDerWaalsContact C-N 3.33Å; I535-Q537 PolarHBondContact O-N 3.06Å; Q537-R539 VanDerWaalsContact C-N 3.35Å; Q537-R539 PolarHBondContact O-N 3.09Å; Q537-L540 PolarHBondContact O-N 3.45Å; Q537-N541 WeakPolarHBondContact O-CB 3.4Å; Q537-N541 PolarHBondContact O-N 3.32Å; Q537-N541 PolarHBondContact O-ND2 3.04Å
538Q94.6Very high92.7Very high55 Ų5554.1 Ų54.126%0.25727%0.266SS..Hα-helixtrans-59.8-44.7175.2-171.5-84.68.200111.4L534 I535 R536 N541 R542L534-Q538 PolarHBondContact O-N 2.72Å; I535-Q538 WeakPolarHBondContact O-CB 3.48Å; I535-Q538 PolarHBondContact O-N 3.42Å; I535-Q538 VanDerWaalsContact O-N 3.14Å; R536-Q538 VanDerWaalsContact C-N 3.35Å; R536-Q538 PolarHBondContact O-N 3.44Å; Q538-N541 WeakPolarHBondContact O-CB 3.25Å; Q538-N541 PolarHBondContact O-N 3.19Å; Q538-R542 WeakPolarHBondContact O-CG 3.21Å; Q538-R542 PolarHBondContact O-N 2.89Å
539R94.1Very high92.3Very high0 Ų050.8 Ų50.80%025%0.252CS..Hα-helixtrans-62.7-44.8179.2-66.7-66.7-178.3-82.50.1111.2I535 R536 Q537 N541 R542 L543 D653 M663 S667 E671I535-R539 HydrophobicContact CG2-CG 4.26Å; I535-R539 WeakPolarHBondContact O-CG 3.37Å; I535-R539 PolarHBondContact O-N 3.08Å; R536-R539 PolarHBondContact O-N 2.86Å; Q537-R539 VanDerWaalsContact C-N 3.35Å; Q537-R539 PolarHBondContact O-N 3.09Å; R539-N541 VanDerWaalsContact C-N 3.32Å; R539-N541 PolarHBondContact O-N 3.12Å; R539-R542 PolarHBondContact O-N 3.21Å; R539-L543 WeakPolarHBondContact O-CG 3.34Å; R539-L543 PolarHBondContact O-N 3.45Å; R539-D653 HydrophobicContact CG-CB 4.19Å; R539-D653 IonicContact NE-OD2 2.72Å; R539-D653 PolarHBondContact NE-OD2 2.92Å; R539-D653 IonicContact NH2-OD2 3.42Å; R539-M663 HydrophobicContact CG-SD 3.84Å; R539-S667 PolarHBondContact NH2-OG 3.29Å; R539-E671 IonicContact CZ-OE2 2.8Å; R539-E671 IonicContact NH1-OE1 2.64Å; R539-E671 IonicContact NH1-OE2 2.67Å; R539-E671 PolarHBondContact NH1-OE2 3.48Å; R539-E671 VanDerWaalsContact NH2-CD 3.33Å; R539-E671 IonicContact NH2-OE1 3.48Å; R539-E671 IonicContact NH2-OE2 2.97Å; R539-E671 PolarHBondContact NH2-OE2 2.9Å
540L93.9Very high91.6Very high25 Ų2552.5 Ų52.513%0.13125%0.248CC..Hα-helixtrans-61.1-41.7175.1-67.8175000111.8R536 Q537 R542 L543 C544 L566 V657 L658R536-L540 WeakPolarHBondContact O-CG 3.36Å; R536-L540 PolarHBondContact O-N 2.62Å; Q537-L540 PolarHBondContact O-N 3.45Å; L540-R542 PolarHBondContact O-N 3.43Å; L540-L543 PolarHBondContact O-N 3.18Å; L540-C544 WeakPolarHBondContact O-CB 3.1Å; L540-C544 PolarHBondContact O-N 3.39Å; L540-C544 PolarHBondContact O-SG 2.82Å; L540-L566 HydrophobicContact CD2-CD2 4.42Å; L540-V657 HydrophobicContact CD1-CG1 4.25Å; L540-V657 HydrophobicContact CD2-CG1 4.15Å; L540-V657 HydrophobicContact CG-CG1 4.16Å; L540-L658 HydrophobicContact CD2-CD2 3.48Å; L540-L658 VanDerWaalsContact CD2-CD2 3.48Å; L540-L658 HydrophobicContact CD2-CG 3.83Å
541N93.4Very high90.6Very high92 Ų9250.6 Ų50.649%0.49224%0.237SC..Hα-helixtrans-64.2-38.9175.4-72-26.8000112.1Q537 Q538 R539 C544 Q545Q537-N541 WeakPolarHBondContact O-CB 3.4Å; Q537-N541 PolarHBondContact O-N 3.32Å; Q537-N541 PolarHBondContact O-ND2 3.04Å; Q538-N541 WeakPolarHBondContact O-CB 3.25Å; Q538-N541 PolarHBondContact O-N 3.19Å; R539-N541 VanDerWaalsContact C-N 3.32Å; R539-N541 PolarHBondContact O-N 3.12Å; N541-C544 WeakPolarHBondContact O-CB 3.27Å; N541-C544 PolarHBondContact O-N 2.86Å; N541-Q545 WeakPolarHBondContact O-CG 3.23Å; N541-Q545 PolarHBondContact O-N 3.4Å
542R92.3Very high89.3Confident111 Ų11152.8 Ų52.842%0.41925%0.248SC..Hα-helixtrans-65.4-42.5174.6-73.4-57.7-174.3176.25.3112.2Q538 R539 L540 C544 Q545 G546Q538-R542 WeakPolarHBondContact O-CG 3.21Å; Q538-R542 PolarHBondContact O-N 2.89Å; R539-R542 PolarHBondContact O-N 3.21Å; L540-R542 PolarHBondContact O-N 3.43Å; R542-C544 VanDerWaalsContact C-N 3.27Å; R542-C544 PolarHBondContact O-N 3.34Å; R542-Q545 VanDerWaalsContact CD-OE1 3.29Å; R542-Q545 WeakPolarHBondContact O-CB 3.21Å; R542-Q545 PolarHBondContact O-N 3.3Å; R542-G546 PolarHBondContact O-N 3.03Å
543L92.8Very high87.4Confident1 Ų154 Ų541%0.00526%0.26CS..Hα-helixtrans-60.3-40.2170.9-67-172.7000111.4R539 L540 G546 R565 L566 W651 G654 L658R539-L543 WeakPolarHBondContact O-CG 3.34Å; R539-L543 PolarHBondContact O-N 3.45Å; L540-L543 PolarHBondContact O-N 3.18Å; L543-G546 PolarHBondContact O-N 2.8Å; L543-R565 CarbonylContact O-C 3.54Å; L543-R565 WeakPolarHBondContact O-CA 3.42Å; L543-L566 HydrophobicContact CB-CB 3.79Å; L543-L566 HydrophobicContact CB-CD2 4.01Å; L543-L566 HydrophobicContact CD1-CD2 4.37Å; L543-L566 PolarHBondContact O-N 3.4Å; L543-W651 HydrophobicContact CD2-CD2 3.46Å; L543-W651 VanDerWaalsContact CD2-CD2 3.46Å; L543-W651 HydrophobicContact CD2-CE3 3.3Å; L543-W651 HydrophobicContact CD2-CG 4.1Å; L543-W651 HydrophobicContact CD2-CH2 3.99Å; L543-W651 HydrophobicContact CD2-CZ2 4.12Å; L543-W651 HydrophobicContact CD2-CZ3 3.6Å; L543-G654 VanDerWaalsContact CD1-C 3.42Å; L543-L658 HydrophobicContact CD1-CD1 3.54Å; L543-L658 HydrophobicContact CD1-CG 4.19Å
544C91.8Very high84.9Confident16 Ų1654.4 Ų54.411%0.10827%0.272CS..Hα-helixtrans-67.4-34.1178.2-71.40000113.6L540 N541 R542 R565 L566 H570L540-C544 WeakPolarHBondContact O-CB 3.1Å; L540-C544 PolarHBondContact O-N 3.39Å; L540-C544 PolarHBondContact O-SG 2.82Å; N541-C544 WeakPolarHBondContact O-CB 3.27Å; N541-C544 PolarHBondContact O-N 2.86Å; R542-C544 VanDerWaalsContact C-N 3.27Å; R542-C544 PolarHBondContact O-N 3.34Å; C544-R565 VanDerWaalsContact O-CZ 3.28Å; C544-R565 PolarHBondContact O-NE 3.09Å; C544-R565 PolarHBondContact O-NH2 3.11Å; C544-L566 WeakPolarHBondContact CA-O 3.37Å; C544-H570 VanDerWaalsContact SG-CD2 3.55Å
545Q90.1Very high82.6Confident93 Ų9356.3 Ų56.344%0.43527%0.273SS..Hα-helixtrans-60.9-56.3170.1-73.1169.78.600108.4N541 R542 Y563N541-Q545 WeakPolarHBondContact O-CG 3.23Å; N541-Q545 PolarHBondContact O-N 3.4Å; R542-Q545 VanDerWaalsContact CD-OE1 3.29Å; R542-Q545 WeakPolarHBondContact O-CB 3.21Å; R542-Q545 PolarHBondContact O-N 3.3Å; Q545-Y563 PolarHBondContact O-OH 3.4Å
546G89.8Confident80.2Confident12 Ų1262.7 Ų62.712%0.12430%0.297CS..  trans102.6172.9-178.800000112.5R542 L543 C564R542-G546 PolarHBondContact O-N 3.03Å; L543-G546 PolarHBondContact O-N 2.8Å; G546-C564 CarbonylContact C-O 3.52Å; G546-C564 WeakPolarHBondContact CA-O 3.47Å
547T90.2Very high77.7Confident24 Ų2463.2 Ų63.215%0.14730%0.299CS..EExtended strand (participates in β ladder)trans-150145.6-177.1-570000110.3F549 Y563 C564 P643 W651T547-F549 HydrophobicContact CG2-CE2 4.24Å; T547-F549 HydrophobicContact CG2-CZ 4.18Å; T547-F549 VanDerWaalsContact O-CD2 3.24Å; T547-F549 WeakPolarHBondContact O-CD2 3.32Å; T547-F549 WeakPolarHBondContact O-CE2 3.48Å; T547-Y563 WeakPolarHBondContact O-CA 3.34Å; T547-Y563 WeakPolarHBondContact O-CD2 3.27Å; T547-C564 PolarHBondContact N-O 3.18Å; T547-C564 PolarHBondContact O-N 3.44Å; T547-P643 HydrophobicContact CG2-CG 4.04Å; T547-W651 PolarHBondContact OG1-NE1 3.37Å
548M87.8Confident75.3Confident40 Ų4062.2 Ų62.220%0.19730%0.295CS..EExtended strand (participates in β ladder)trans-81.7130.4171.2-70.9-66.2-96.800109.6L561 Y563 V578M548-L561 HydrophobicContact CE-CB 3.32Å; M548-L561 HydrophobicContact CE-CD1 3.85Å; M548-L561 HydrophobicContact CE-CG 4.21Å; M548-L561 HydrophobicContact SD-CB 4.28Å; M548-Y563 HydrophobicContact CB-CD2 4.42Å; M548-Y563 HydrophobicContact CG-CD2 3.63Å; M548-Y563 HydrophobicContact CG-CE2 4.14Å; M548-Y563 HydrophobicContact SD-CD2 3.4Å; M548-Y563 WeakPolarHBondContact SD-CD2 3.43Å; M548-Y563 HydrophobicContact SD-CE2 4.37Å; M548-Y563 HydrophobicContact SD-CG 4.01Å; M548-V578 HydrophobicContact CE-CB 3.73Å; M548-V578 HydrophobicContact CE-CG1 3.8Å; M548-V578 HydrophobicContact SD-CB 4.1Å; M548-V578 HydrophobicContact SD-CG1 4.3Å; M548-V578 HydrophobicContact SD-CG2 4.36Å
549F85.8Confident73.1Confident0 Ų063.1 Ų63.10%030%0.301CS..EExtended strand (participates in β ladder)trans-120.5146.6179.2-67.9-83000109.5T547 L561 W562 C564 F627 F640 W651T547-F549 HydrophobicContact CG2-CE2 4.24Å; T547-F549 HydrophobicContact CG2-CZ 4.18Å; T547-F549 VanDerWaalsContact O-CD2 3.24Å; T547-F549 WeakPolarHBondContact O-CD2 3.32Å; T547-F549 WeakPolarHBondContact O-CE2 3.48Å; F549-L561 CarbonylContact O-C 3.59Å; F549-L561 VanDerWaalsContact O-CA 3.25Å; F549-L561 WeakPolarHBondContact O-CA 3.42Å; F549-W562 HydrophobicContact CB-CD2 4.14Å; F549-W562 HydrophobicContact CB-CG 4.28Å; F549-W562 HydrophobicContact CB-CZ2 3.97Å; F549-W562 HydrophobicContact CD2-CZ2 4.39Å; F549-W562 HydrophobicContact CG-CZ2 4.22Å; F549-W562 PolarHBondContact N-O 3.08Å; F549-W562 PolarHBondContact O-N 3.32Å; F549-C564 HydrophobicContact CD2-CB 4.05Å; F549-C564 HydrophobicContact CE2-CB 3.84Å; F549-F627 HydrophobicContact CE1-CE1 4.05Å; F549-F627 AromaticContact CE1-CZ 3.83Å; F549-F627 HydrophobicContact CE1-CZ 3.83Å; F549-F627 HydrophobicContact CZ-CZ 4.11Å; F549-F640 HydrophobicContact CD1-CB 4.45Å; F549-F640 AromaticContact CD1-CD1 3.94Å; F549-F640 HydrophobicContact CD1-CD1 3.94Å; F549-F640 HydrophobicContact CD2-CD1 4.13Å; F549-F640 HydrophobicContact CD2-CE1 4.38Å; F549-F640 HydrophobicContact CE1-CB 4.46Å; F549-F640 AromaticContact CE1-CD1 3.78Å; F549-F640 HydrophobicContact CE1-CD1 3.78Å; F549-F640 AromaticContact CE2-CD1 3.98Å; F549-F640 HydrophobicContact CE2-CD1 3.98Å; F549-F640 HydrophobicContact CE2-CE1 4.07Å; F549-F640 HydrophobicContact CG-CD1 4.1Å; F549-F640 AromaticContact CZ-CD1 3.78Å; F549-F640 HydrophobicContact CZ-CD1 3.78Å; F549-F640 HydrophobicContact CZ-CE1 4.16Å; F549-W651 HydrophobicContact CE2-CD2 4.29Å; F549-W651 AromaticContact CE2-CE2 3.77Å; F549-W651 HydrophobicContact CE2-CH2 4.08Å; F549-W651 AromaticContact CE2-CZ2 3.67Å; F549-W651 HydrophobicContact CE2-CZ2 3.67Å; F549-W651 AromaticContact CZ-CD1 3.84Å; F549-W651 AromaticContact CZ-CD2 3.62Å; F549-W651 HydrophobicContact CZ-CD2 3.62Å; F549-W651 AromaticContact CZ-CE2 3.41Å; F549-W651 VanDerWaalsContact CZ-CE2 3.41Å; F549-W651 HydrophobicContact CZ-CE3 4.17Å; F549-W651 AromaticContact CZ-CG 3.92Å; F549-W651 HydrophobicContact CZ-CG 3.92Å; F549-W651 HydrophobicContact CZ-CH2 4.36Å; F549-W651 AromaticContact CZ-CZ2 3.83Å; F549-W651 HydrophobicContact CZ-CZ2 3.83Å; F549-W651 AromaticContact CZ-NE1 3.54Å
550R77.6Confident71.7Confident116 Ų11665.8 Ų65.844%0.43831%0.313SS..EExtended strand (participates in β ladder)trans-75.3138.1169-72.2179.7174136.53.9109.8D559 L561 W562R550-D559 VanDerWaalsContact CD-OD1 3.25Å; R550-D559 WeakPolarHBondContact CD-OD1 3.19Å; R550-D559 IonicContact CZ-OD1 2.67Å; R550-D559 IonicContact NE-OD1 2.93Å; R550-D559 PolarHBondContact NE-OD1 3.06Å; R550-L561 HydrophobicContact CG-CD2 3.81Å; R550-W562 PolarHBondContact O-NE1 3.49Å
551K72.7Confident70.8Confident96 Ų9666.5 Ų66.542%0.41732%0.316SS..  trans-66.5135169.5-87.8-169.6170.3-179.20110.6S553 K560 W562 D577K551-S553 PolarHBondContact O-N 3.19Å; K551-K560 WeakPolarHBondContact CB-O 3.35Å; K551-K560 HydrophobicContact CD-CB 4.32Å; K551-K560 PolarHBondContact N-O 3.28Å; K551-W562 HydrophobicContact CG-CG 4.27Å; K551-D577 WeakPolarHBondContact CE-OD1 3.24Å; K551-D577 IonicContact NZ-OD1 3.53Å; K551-D577 PolarHBondContact NZ-OD1 3.31Å; K551-D577 IonicContact NZ-OD2 2.72Å; K551-D577 PolarHBondContact NZ-OD2 3.47Å
552I65.6Low70.4Confident60 Ų6062.9 Ų62.931%0.30830%0.296SS..  trans-7892.4176.7-57.1160.5000107.4N639 I641I552-N639 HydrophobicContact CD1-CB 3.38Å; I552-I641 HydrophobicContact CB-CD1 4.46Å; I552-I641 HydrophobicContact CD1-CD1 4.41Å; I552-I641 HydrophobicContact CD1-CG1 4.08Å; I552-I641 HydrophobicContact CG1-CD1 3.64Å; I552-I641 HydrophobicContact CG1-CG1 3.75Å; I552-I641 HydrophobicContact CG2-CD1 4.33Å
553S53.1Low70.2Confident61 Ų6157.7 Ų57.743%0.42728%0.276SS..  trans-104.9136.7170.8-1780000109.5K551 R555K551-S553 PolarHBondContact O-N 3.19Å; S553-R555 WeakPolarHBondContact CB-O 3.29Å; S553-R555 PolarHBondContact O-N 3.09Å; S553-R555 VanDerWaalsContact O-N 3.16Å; S553-R555 PolarHBondContact OG-N 3.17Å; S553-R555 PolarHBondContact OG-O 3Å
554S41.4Very low70.1Confident95 Ų9557.7 Ų57.766%0.66428%0.276SS*.SBendtrans-64.5-12.6171.8-1760000112.3
555R46.1Very low70.2Confident128 Ų12859.2 Ų59.248%0.48328%0.28SS..SBendtrans-139.1142.4-174.9-63.6176.1175.4-176.6-8.5109.6H155 G156 S553 R557H155-R555 WeakPolarHBondContact O-CD 3.32Å; H155-R555 PolarHBondContact O-NH1 2.83Å; G156-R555 PolarHBondContact O-NH1 3.13Å; S553-R555 WeakPolarHBondContact CB-O 3.29Å; S553-R555 PolarHBondContact O-N 3.09Å; S553-R555 VanDerWaalsContact O-N 3.16Å; S553-R555 PolarHBondContact OG-N 3.17Å; S553-R555 PolarHBondContact OG-O 3Å; R555-R557 PolarHBondContact O-N 2.88Å
556R43.3Very low70.3Confident138 Ų13854.8 Ų54.852%0.52126%0.259SS..  trans-6082177.9-68-178.3-173.9-179.5-1.7109.9D154 L200D154-R556 WeakPolarHBondContact CA-O 3.37Å; D154-R556 VanDerWaalsContact CB-O 3.26Å; D154-R556 WeakPolarHBondContact CB-O 3.47Å; L200-R556 VanDerWaalsContact CB-NH1 3.29Å
557R41.3Very low70.3Confident65 Ų6554.6 Ų54.625%0.24526%0.256CS..  trans-80140.3148.9-79.6178.3176-168.1-9.1105.8R111 D154 H155 R555 D559R111-R557 PolarHBondContact O-NH1 3.07Å; R111-R557 PolarHBondContact O-NH2 3.11Å; D154-R557 HydrophobicContact CB-CB 4.5Å; D154-R557 HydrophobicContact CB-CG 4Å; H155-R557 PolarHBondContact CE1-NE 3.48Å; H155-R557 PolarHBondContact CE1-NH2 3.39Å; H155-R557 PolarHBondContact ND1-NE 3.08Å; H155-R557 PolarHBondContact ND1-NH2 2.83Å; R555-R557 PolarHBondContact O-N 2.88Å; R557-D559 PolarHBondContact O-N 3.07Å
558Q43.7Very low70.3Confident79 Ų7958.3 Ų58.337%0.36928%0.28SS..  trans-24.5135.9159.3-70.5171.29.700111.5E151 D154 K560E151-Q558 PolarHBondContact OE1-NE2 3.46Å; E151-Q558 PolarHBondContact OE1-OE1 3.4Å; D154-Q558 PolarHBondContact OD2-N 2.82Å; Q558-K560 PolarHBondContact O-N 3.39Å
559D48.2Very low70.4Confident73 Ų7360.9 Ų60.939%0.3930%0.295SS..  trans-49.471.3178.6-82.6-61.4000112.6R550 R557 L561R550-D559 VanDerWaalsContact CD-OD1 3.25Å; R550-D559 WeakPolarHBondContact CD-OD1 3.19Å; R550-D559 IonicContact CZ-OD1 2.67Å; R550-D559 IonicContact NE-OD1 2.93Å; R550-D559 PolarHBondContact NE-OD1 3.06Å; R557-D559 PolarHBondContact O-N 3.07Å; D559-L561 VanDerWaalsContact C-N 3.33Å; D559-L561 PolarHBondContact O-N 3.32Å
560K64.3Low70.6Confident57 Ų5764 Ų6425%0.24831%0.309CS..  trans-71.3100.1172.8-78.7-168-177.2178.10106.1K551 Q558K551-K560 WeakPolarHBondContact CB-O 3.35Å; K551-K560 HydrophobicContact CD-CB 4.32Å; K551-K560 PolarHBondContact N-O 3.28Å; Q558-K560 PolarHBondContact O-N 3.39Å
561L76.1Confident71.2Confident40 Ų4065.4 Ų65.421%0.20932%0.318CS..EExtended strand (participates in β ladder)trans-75.8141.4173.7-61.8171.1000108.6M548 F549 R550 D559 V578M548-L561 HydrophobicContact CE-CB 3.32Å; M548-L561 HydrophobicContact CE-CD1 3.85Å; M548-L561 HydrophobicContact CE-CG 4.21Å; M548-L561 HydrophobicContact SD-CB 4.28Å; F549-L561 CarbonylContact O-C 3.59Å; F549-L561 VanDerWaalsContact O-CA 3.25Å; F549-L561 WeakPolarHBondContact O-CA 3.42Å; R550-L561 HydrophobicContact CG-CD2 3.81Å; D559-L561 VanDerWaalsContact C-N 3.33Å; D559-L561 PolarHBondContact O-N 3.32Å; L561-V578 PolarHBondContact O-N 3.14Å; L561-V578 VanDerWaalsContact O-N 3.16Å
562W84.4Confident72Confident15 Ų1563.5 Ų63.56%0.05731%0.312CS..EExtended strand (participates in β ladder)trans-125.4143.8169.666.8-73.6000107.7F549 R550 K551 C564 Y575 G576 L638 N639 F640F549-W562 HydrophobicContact CB-CD2 4.14Å; F549-W562 HydrophobicContact CB-CG 4.28Å; F549-W562 HydrophobicContact CB-CZ2 3.97Å; F549-W562 HydrophobicContact CD2-CZ2 4.39Å; F549-W562 HydrophobicContact CG-CZ2 4.22Å; F549-W562 PolarHBondContact N-O 3.08Å; F549-W562 PolarHBondContact O-N 3.32Å; R550-W562 PolarHBondContact O-NE1 3.49Å; K551-W562 HydrophobicContact CG-CG 4.27Å; W562-C564 HydrophobicContact CE3-CB 4.28Å; W562-C564 HydrophobicContact CH2-CB 4.38Å; W562-C564 HydrophobicContact CZ3-CB 3.79Å; W562-Y575 HydrophobicContact CE3-CD2 4.04Å; W562-Y575 HydrophobicContact CE3-CG 4.3Å; W562-Y575 AromaticContact CZ3-CD2 3.84Å; W562-Y575 HydrophobicContact CZ3-CD2 3.84Å; W562-Y575 AromaticContact CZ3-CG 3.87Å; W562-Y575 HydrophobicContact CZ3-CG 3.87Å; W562-G576 CarbonylContact C-O 3.55Å; W562-G576 VanDerWaalsContact CA-O 3.29Å; W562-G576 WeakPolarHBondContact CA-O 3.44Å; W562-G576 WeakPolarHBondContact CB-O 3.41Å; W562-L638 HydrophobicContact CH2-CD1 3.87Å; W562-L638 HydrophobicContact CH2-CD2 4.07Å; W562-L638 HydrophobicContact CH2-CG 3.98Å; W562-L638 HydrophobicContact CZ3-CD1 4.17Å; W562-L638 HydrophobicContact CZ3-CD2 4.25Å; W562-N639 WeakPolarHBondContact CZ2-O 3.4Å; W562-F640 AromaticContact CH2-CD1 3.52Å; W562-F640 HydrophobicContact CH2-CD1 3.52Å; W562-F640 AromaticContact CH2-CE1 3.23Å; W562-F640 HydrophobicContact CH2-CE1 3.23Å; W562-F640 HydrophobicContact CH2-CE2 4.37Å; W562-F640 HydrophobicContact CH2-CG 4.24Å; W562-F640 AromaticContact CH2-CZ 3.71Å; W562-F640 HydrophobicContact CH2-CZ 3.71Å; W562-F640 AromaticContact CZ2-CD1 3.59Å; W562-F640 HydrophobicContact CZ2-CD1 3.59Å; W562-F640 AromaticContact CZ2-CE1 3.83Å; W562-F640 HydrophobicContact CZ2-CE1 3.83Å; W562-F640 HydrophobicContact CZ2-CG 4.16Å; W562-F640 HydrophobicContact CZ3-CE1 4.08Å
563Y88.3Confident73.2Confident3 Ų360.7 Ų60.71%0.01230%0.297CS..EExtended strand (participates in β ladder)trans-102.2140.8-179.2-163.7-105.1000109.8Q545 T547 M548 R565 Y575 G576 N584 P585 L590Q545-Y563 PolarHBondContact O-OH 3.4Å; T547-Y563 WeakPolarHBondContact O-CA 3.34Å; T547-Y563 WeakPolarHBondContact O-CD2 3.27Å; M548-Y563 HydrophobicContact CB-CD2 4.42Å; M548-Y563 HydrophobicContact CG-CD2 3.63Å; M548-Y563 HydrophobicContact CG-CE2 4.14Å; M548-Y563 HydrophobicContact SD-CD2 3.4Å; M548-Y563 WeakPolarHBondContact SD-CD2 3.43Å; M548-Y563 HydrophobicContact SD-CE2 4.37Å; M548-Y563 HydrophobicContact SD-CG 4.01Å; Y563-R565 HydrophobicContact CD1-CB 4.32Å; Y563-R565 HydrophobicContact CE1-CB 3.89Å; Y563-R565 HydrophobicContact CE1-CG 4.31Å; Y563-Y575 CarbonylContact O-C 3.51Å; Y563-Y575 WeakPolarHBondContact O-CA 3.44Å; Y563-Y575 WeakPolarHBondContact O-CB 3.49Å; Y563-G576 PolarHBondContact N-O 3.36Å; Y563-G576 PolarHBondContact O-N 2.82Å; Y563-N584 PolarHBondContact OH-OD1 3.04Å; Y563-P585 HydrophobicContact CD1-CG 3.37Å; Y563-P585 HydrophobicContact CD2-CG 4.19Å; Y563-P585 HydrophobicContact CE1-CG 3.84Å; Y563-P585 HydrophobicContact CG-CG 3.52Å; Y563-L590 HydrophobicContact CD1-CD1 4.13Å; Y563-L590 HydrophobicContact CD1-CD2 4.33Å
564C91.3Very high75Confident0 Ų058.5 Ų58.50%028%0.281CS..EExtended strand (participates in β ladder)trans-129.7135.8171.4-1720000109.7G546 T547 F549 W562 L573 H574 F640 W651G546-C564 CarbonylContact C-O 3.52Å; G546-C564 WeakPolarHBondContact CA-O 3.47Å; T547-C564 PolarHBondContact N-O 3.18Å; T547-C564 PolarHBondContact O-N 3.44Å; F549-C564 HydrophobicContact CD2-CB 4.05Å; F549-C564 HydrophobicContact CE2-CB 3.84Å; W562-C564 HydrophobicContact CE3-CB 4.28Å; W562-C564 HydrophobicContact CH2-CB 4.38Å; W562-C564 HydrophobicContact CZ3-CB 3.79Å; C564-L573 VanDerWaalsContact SG-CG 3.55Å; C564-H574 CarbonylContact C-O 3.48Å; C564-H574 WeakPolarHBondContact CA-O 3.28Å; C564-F640 HydrophobicContact CB-CE1 4.18Å; C564-W651 HydrophobicContact CB-CH2 3.83Å; C564-W651 HydrophobicContact CB-CZ2 4.49Å; C564-W651 HydrophobicContact CB-CZ3 4.42Å; C564-W651 VanDerWaalsContact O-CH2 3.29Å; C564-W651 WeakPolarHBondContact O-CH2 3.37Å; C564-W651 VanDerWaalsContact O-CZ2 3.32Å; C564-W651 WeakPolarHBondContact O-CZ2 3.38Å
565R92.4Very high77.3Confident49 Ų4955.2 Ų55.219%0.18525%0.254CS..EExtended strand (participates in β ladder)trans-147.1152175.674.4-177.3-63.7172.80.1112.1L543 C544 Y563 H574 P585 I587 L590L543-R565 CarbonylContact O-C 3.54Å; L543-R565 WeakPolarHBondContact O-CA 3.42Å; C544-R565 VanDerWaalsContact O-CZ 3.28Å; C544-R565 PolarHBondContact O-NE 3.09Å; C544-R565 PolarHBondContact O-NH2 3.11Å; Y563-R565 HydrophobicContact CD1-CB 4.32Å; Y563-R565 HydrophobicContact CE1-CB 3.89Å; Y563-R565 HydrophobicContact CE1-CG 4.31Å; R565-H574 HydrophobicContact CG-CB 4.27Å; R565-H574 PolarHBondContact N-O 3.36Å; R565-H574 PolarHBondContact O-N 2.84Å; R565-P585 PolarHBondContact NH1-O 2.8Å; R565-I587 HydrophobicContact CG-CG1 4.33Å; R565-L590 HydrophobicContact CG-CD1 3.59Å
566L93.3Very high79.1Confident0 Ų049.4 Ų49.40%023%0.233CC..EExtended strand (participates in β ladder)trans-84.2145.4171.3-173.770.8000110.4L540 L543 C544 H570 L573 V596 L658L540-L566 HydrophobicContact CD2-CD2 4.42Å; L543-L566 HydrophobicContact CB-CB 3.79Å; L543-L566 HydrophobicContact CB-CD2 4.01Å; L543-L566 HydrophobicContact CD1-CD2 4.37Å; L543-L566 PolarHBondContact O-N 3.4Å; C544-L566 WeakPolarHBondContact CA-O 3.37Å; L566-H570 HydrophobicContact CD2-CB 4.03Å; L566-H570 VanDerWaalsContact CD2-CD2 3.45Å; L566-H570 WeakPolarHBondContact CD2-CD2 3.34Å; L566-L573 HydrophobicContact CB-CD1 4.4Å; L566-L573 HydrophobicContact CD1-CD1 4.44Å; L566-V596 HydrophobicContact CD1-CG2 3.78Å; L566-L658 HydrophobicContact CD1-CD1 3.87Å; L566-L658 HydrophobicContact CD1-CD2 4.43Å; L566-L658 HydrophobicContact CD2-CD1 3.95Å; L566-L658 HydrophobicContact CD2-CD2 3.87Å; L566-L658 HydrophobicContact CD2-CG 4.42Å
567S90.5Very high81Confident7 Ų746.7 Ų46.75%0.04923%0.229CC..  trans-68.2147.317046.80000111.2N569 H570 M572S567-N569 WeakPolarHBondContact CB-OD1 3.28Å; S567-N569 PolarHBondContact O-N 2.92Å; S567-N569 PolarHBondContact OG-OD1 3.39Å; S567-H570 WeakPolarHBondContact O-CA 3.48Å; S567-H570 PolarHBondContact O-N 3.08Å; S567-M572 WeakPolarHBondContact CB-O 3.35Å; S567-M572 PolarHBondContact N-O 3.42Å; S567-M572 WeakPolarHBondContact OG-CA 3.48Å; S567-M572 WeakPolarHBondContact OG-CB 3.49Å; S567-M572 PolarHBondContact OG-N 2.89Å; S567-M572 PolarHBondContact OG-O 3.03Å
568P88.3Confident82.5Confident103 Ų10344.7 Ų44.767%0.66922%0.224SC*.THydrogen-bonded Turntrans-58.7-17.2-178.9-26.534.6000115.3
569N90.3Very high83.5Confident94 Ų9448.2 Ų48.250%0.50324%0.241SC..THydrogen-bonded Turntrans-91.31.4175.567.710.6000113.4S567 K571S567-N569 WeakPolarHBondContact CB-OD1 3.28Å; S567-N569 PolarHBondContact O-N 2.92Å; S567-N569 PolarHBondContact OG-OD1 3.39Å; N569-K571 WeakPolarHBondContact O-CG 3.16Å; N569-K571 PolarHBondContact O-N 3.17Å; N569-K571 WeakPolarHBondContact OD1-CB 3.18Å; N569-K571 PolarHBondContact OD1-N 3.07Å
570H90.9Very high83.8Confident66 Ų6651.3 Ų51.331%0.30625%0.253SS..SBendtrans61.121.7-179.2-48.4148.7000115.4C544 L566 S567 L658C544-H570 VanDerWaalsContact SG-CD2 3.55Å; L566-H570 HydrophobicContact CD2-CB 4.03Å; L566-H570 VanDerWaalsContact CD2-CD2 3.45Å; L566-H570 WeakPolarHBondContact CD2-CD2 3.34Å; S567-H570 WeakPolarHBondContact O-CA 3.48Å; S567-H570 PolarHBondContact O-N 3.08Å; H570-L658 HydrophobicContact CB-CD2 3.97Å
571K89.5Confident83.3Confident144 Ų14456.4 Ų56.463%0.62628%0.283SS*.SBendtrans-104.2-23.7-175-66.7-179.5-178.8-176.30114.5N569 V596N569-K571 WeakPolarHBondContact O-CG 3.16Å; N569-K571 PolarHBondContact O-N 3.17Å; N569-K571 WeakPolarHBondContact OD1-CB 3.18Å; N569-K571 PolarHBondContact OD1-N 3.07Å; K571-V596 PolarHBondContact O-N 2.86Å
572M90.1Very high82.6Confident56 Ų5656.5 Ų56.528%0.27629%0.289SS..EExtended strand (participates in β ladder)trans-131131-175.8-57.3-65.1-63.500110.1S567 K593 P595S567-M572 WeakPolarHBondContact CB-O 3.35Å; S567-M572 PolarHBondContact N-O 3.42Å; S567-M572 WeakPolarHBondContact OG-CA 3.48Å; S567-M572 WeakPolarHBondContact OG-CB 3.49Å; S567-M572 PolarHBondContact OG-N 2.89Å; S567-M572 PolarHBondContact OG-O 3.03Å; M572-K593 HydrophobicContact CE-CB 3.8Å; M572-P595 HydrophobicContact CE-CB 4.46Å; M572-P595 HydrophobicContact CE-CG 3.96Å; M572-P595 HydrophobicContact SD-CB 3.97Å; M572-P595 HydrophobicContact SD-CG 4.07Å
573L91.2Very high81.3Confident1 Ų164.2 Ų64.21%0.00533%0.326CS..EExtended strand (participates in β ladder)trans-93.9122167.4-168.772.6000108.5C564 L566 K593 I594 I629 L638 W651C564-L573 VanDerWaalsContact SG-CG 3.55Å; L566-L573 HydrophobicContact CB-CD1 4.4Å; L566-L573 HydrophobicContact CD1-CD1 4.44Å; L573-K593 CarbonylContact O-C 3.55Å; L573-K593 VanDerWaalsContact O-CA 3.25Å; L573-K593 WeakPolarHBondContact O-CA 3.48Å; L573-I594 HydrophobicContact CB-CB 4.47Å; L573-I594 PolarHBondContact N-O 2.81Å; L573-I594 PolarHBondContact O-N 3.47Å; L573-I629 HydrophobicContact CD2-CD1 3.72Å; L573-L638 HydrophobicContact CD2-CD2 4.33Å; L573-W651 HydrophobicContact CD1-CH2 4.48Å; L573-W651 HydrophobicContact CD1-CZ3 4.15Å
574H89.6Confident80.3Confident16 Ų1669.7 Ų69.77%0.07436%0.356CS..EExtended strand (participates in β ladder)trans-105.2138.5-179.4-68.3-115.7000109.6C564 R565 I587 L590 D592 K593C564-H574 CarbonylContact C-O 3.48Å; C564-H574 WeakPolarHBondContact CA-O 3.28Å; R565-H574 HydrophobicContact CG-CB 4.27Å; R565-H574 PolarHBondContact N-O 3.36Å; R565-H574 PolarHBondContact O-N 2.84Å; H574-I587 HydrophobicContact CB-CG1 4.11Å; H574-L590 HydrophobicContact CB-CB 4Å; H574-L590 HydrophobicContact CB-CD1 3.68Å; H574-D592 CarbonylContact C-O 3.58Å; H574-D592 WeakPolarHBondContact CA-O 3.41Å; H574-K593 VanDerWaalsContact CE1-CE 3.46Å; H574-K593 WeakPolarHBondContact CE1-CE 2.95Å; H574-K593 WeakPolarHBondContact ND1-CE 3.36Å
575Y89.4Confident79.6Confident26 Ų2670.3 Ų70.310%0.10236%0.36CS..EExtended strand (participates in β ladder)trans-149.9162.5175.165.6-82.7000112.8W562 Y563 Q591 D592 I594 L638W562-Y575 HydrophobicContact CE3-CD2 4.04Å; W562-Y575 HydrophobicContact CE3-CG 4.3Å; W562-Y575 AromaticContact CZ3-CD2 3.84Å; W562-Y575 HydrophobicContact CZ3-CD2 3.84Å; W562-Y575 AromaticContact CZ3-CG 3.87Å; W562-Y575 HydrophobicContact CZ3-CG 3.87Å; Y563-Y575 CarbonylContact O-C 3.51Å; Y563-Y575 WeakPolarHBondContact O-CA 3.44Å; Y563-Y575 WeakPolarHBondContact O-CB 3.49Å; Y575-Q591 PolarHBondContact O-N 3.48Å; Y575-D592 HydrophobicContact CD1-CB 3.88Å; Y575-D592 HydrophobicContact CD2-CB 3.72Å; Y575-D592 HydrophobicContact CE1-CB 3.51Å; Y575-D592 HydrophobicContact CE2-CB 3.34Å; Y575-D592 HydrophobicContact CG-CB 3.96Å; Y575-D592 PolarHBondContact N-O 3.09Å; Y575-D592 WeakPolarHBondContact O-CB 3.4Å; Y575-D592 PolarHBondContact O-N 3.41Å; Y575-I594 HydrophobicContact CD1-CD1 4.38Å; Y575-I594 HydrophobicContact CE1-CD1 3.58Å; Y575-I594 HydrophobicContact CE1-CG1 3.88Å; Y575-L638 HydrophobicContact CD1-CD2 3.99Å; Y575-L638 HydrophobicContact CD2-CD1 4.32Å; Y575-L638 HydrophobicContact CE1-CD2 4.02Å; Y575-L638 HydrophobicContact CE2-CD1 3.97Å; Y575-L638 HydrophobicContact CG-CD2 4.33Å
576G84.9Confident78.8Confident5 Ų570.6 Ų70.65%0.05237%0.372CS..EExtended strand (participates in β ladder)trans175.2168178.900000112.6W562 Y563W562-G576 CarbonylContact C-O 3.55Å; W562-G576 VanDerWaalsContact CA-O 3.29Å; W562-G576 WeakPolarHBondContact CA-O 3.44Å; W562-G576 WeakPolarHBondContact CB-O 3.41Å; Y563-G576 PolarHBondContact N-O 3.36Å; Y563-G576 PolarHBondContact O-N 2.82Å
577D82.1Confident78.1Confident81 Ų8172.6 Ų72.643%0.43338%0.383SS..EExtended strand (participates in β ladder)trans-74.4142.9178.5-65.6-4.6000111K551K551-D577 WeakPolarHBondContact CE-OD1 3.24Å; K551-D577 IonicContact NZ-OD1 3.53Å; K551-D577 PolarHBondContact NZ-OD1 3.31Å; K551-D577 IonicContact NZ-OD2 2.72Å; K551-D577 PolarHBondContact NZ-OD2 3.47Å
578V73.2Confident77.4Confident24 Ų2480.8 Ų80.815%0.14542%0.42CS..  trans-137.9141.1-176.3-174.70000109.5M548 L561 A582 P585M548-V578 HydrophobicContact CE-CB 3.73Å; M548-V578 HydrophobicContact CE-CG1 3.8Å; M548-V578 HydrophobicContact SD-CB 4.1Å; M548-V578 HydrophobicContact SD-CG1 4.3Å; M548-V578 HydrophobicContact SD-CG2 4.36Å; L561-V578 PolarHBondContact O-N 3.14Å; L561-V578 VanDerWaalsContact O-N 3.16Å; V578-A582 HydrophobicContact CG1-CB 3.63Å; V578-P585 HydrophobicContact CG2-CB 4.42Å; V578-P585 HydrophobicContact CG2-CG 4.01Å
579E64.6Low76.8Confident152 Ų15280.1 Ų80.171%0.7141%0.414SS*.  trans-77.2152.2173.9-59.2-163.3151.300111D581 A582E579-D581 PolarHBondContact O-N 3.45Å; E579-A582 PolarHBondContact O-N 3.27Å
580E54.3Low76.3Confident138 Ų13875.8 Ų75.865%0.64539%0.391SS*.THydrogen-bonded Turntrans-53.7-28.5-169.4-80.8179.5152.800115.1
581D54.6Low75.5Confident164 Ų16478.1 Ų78.188%0.87740%0.402SS*.THydrogen-bonded Turntrans-85.5-4.5-174.2-70.4-34000115.2E579 E583E579-D581 PolarHBondContact O-N 3.45Å; D581-E583 PolarHBondContact O-N 2.98Å
582A60.4Low75.2Confident42 Ų4273.7 Ų73.735%0.34739%0.385SS..  trans-97.291-174.200000112.6V578 E579 N584V578-A582 HydrophobicContact CG1-CB 3.63Å; E579-A582 PolarHBondContact O-N 3.27Å; A582-N584 VanDerWaalsContact C-N 3.28Å; A582-N584 PolarHBondContact O-N 3.46Å
583E57.3Low75.1Confident178 Ų17876 Ų7683%0.83239%0.394SS*.SBendtrans-67.3-16.1-174-77.3-172.7155.900115.6D581D581-E583 PolarHBondContact O-N 2.98Å
584N68.4Low74.9Confident118 Ų11876.1 Ų76.163%0.63139%0.394SS*.SBendtrans-16190.1174.5-80.8-57000111.3Y563 A582Y563-N584 PolarHBondContact OH-OD1 3.04Å; A582-N584 VanDerWaalsContact C-N 3.28Å; A582-N584 PolarHBondContact O-N 3.46Å
585P75.6Confident74.9Confident13 Ų1377.5 Ų77.58%0.08441%0.405CS..  trans-63.5141.2178.828.4-37.3000111.4Y563 R565 V578 T589 L590Y563-P585 HydrophobicContact CD1-CG 3.37Å; Y563-P585 HydrophobicContact CD2-CG 4.19Å; Y563-P585 HydrophobicContact CE1-CG 3.84Å; Y563-P585 HydrophobicContact CG-CG 3.52Å; R565-P585 PolarHBondContact NH1-O 2.8Å; V578-P585 HydrophobicContact CG2-CB 4.42Å; V578-P585 HydrophobicContact CG2-CG 4.01Å; P585-T589 WeakPolarHBondContact CB-OG1 3.38Å; P585-L590 HydrophobicContact CB-CD2 4.44Å; P585-L590 HydrophobicContact CG-CD2 4.13Å
586A76.8Confident74.8Confident55 Ų5577 Ų7746%0.45540%0.404SS..  trans-61.5146.2172.700000109.7E588 T589A586-E588 PolarHBondContact O-N 3.12Å; A586-T589 HydrophobicContact CB-CG2 4.33Å; A586-T589 PolarHBondContact O-N 3.37Å; A586-T589 PolarHBondContact O-OG1 2.85Å
587I77.2Confident74.9Confident42 Ų4281.4 Ų81.422%0.21544%0.44CS..THydrogen-bonded Turntrans-58.8-22.1-177.4-162165.8000113.4R565 H574R565-I587 HydrophobicContact CG-CG1 4.33Å; H574-I587 HydrophobicContact CB-CG1 4.11Å
588E75.6Confident75.2Confident178 Ų17880.3 Ų80.383%0.83243%0.434SS*.THydrogen-bonded Turntrans-76.8-24.9178.8-61.2-179.9175.200113.3A586 L590A586-E588 PolarHBondContact O-N 3.12Å; E588-L590 VanDerWaalsContact C-N 3.29Å
589T76.1Confident76Confident89 Ų8980 Ų8055%0.54643%0.432SS..THydrogen-bonded Turntrans-81.1-13.4179.5630000112.4P585 A586 Q591P585-T589 WeakPolarHBondContact CB-OG1 3.38Å; A586-T589 HydrophobicContact CB-CG2 4.33Å; A586-T589 PolarHBondContact O-N 3.37Å; A586-T589 PolarHBondContact O-OG1 2.85Å; T589-Q591 PolarHBondContact O-N 2.84Å
590L79.4Confident77Confident3 Ų378.1 Ų78.12%0.01642%0.421CS..  trans-81.4113.5177.4-59.4174.5000109.9Y563 R565 H574 P585 E588Y563-L590 HydrophobicContact CD1-CD1 4.13Å; Y563-L590 HydrophobicContact CD1-CD2 4.33Å; R565-L590 HydrophobicContact CG-CD1 3.59Å; H574-L590 HydrophobicContact CB-CB 4Å; H574-L590 HydrophobicContact CB-CD1 3.68Å; P585-L590 HydrophobicContact CB-CD2 4.44Å; P585-L590 HydrophobicContact CG-CD2 4.13Å; E588-L590 VanDerWaalsContact C-N 3.29Å
591Q75.6Confident78.5Confident116 Ų11672 Ų7254%0.54240%0.395SS..  trans-74.7-33.1-169-59.6-179.66.800112.5Y575 T589Y575-Q591 PolarHBondContact O-N 3.48Å; T589-Q591 PolarHBondContact O-N 2.84Å
592D83.1Confident80.3Confident51 Ų5165.4 Ų65.427%0.27336%0.36SS..EExtended strand (participates in β ladder)trans-102.4146.8-175.1-73.5-55.4000113.6K69 H574 Y575K69-D592 IonicContact NZ-OD1 3.67Å; K69-D592 PolarHBondContact NZ-OD1 3.46Å; H574-D592 CarbonylContact C-O 3.58Å; H574-D592 WeakPolarHBondContact CA-O 3.41Å; Y575-D592 HydrophobicContact CD1-CB 3.88Å; Y575-D592 HydrophobicContact CD2-CB 3.72Å; Y575-D592 HydrophobicContact CE1-CB 3.51Å; Y575-D592 HydrophobicContact CE2-CB 3.34Å; Y575-D592 HydrophobicContact CG-CB 3.96Å; Y575-D592 PolarHBondContact N-O 3.09Å; Y575-D592 WeakPolarHBondContact O-CB 3.4Å; Y575-D592 PolarHBondContact O-N 3.41Å
593K87.4Confident81.7Confident104 Ų10466.1 Ų66.145%0.45236%0.357SS..EExtended strand (participates in β ladder)trans-142.2137.7-176.9-53.2179-171.5175.50111M572 L573 H574M572-K593 HydrophobicContact CE-CB 3.8Å; L573-K593 CarbonylContact O-C 3.55Å; L573-K593 VanDerWaalsContact O-CA 3.25Å; L573-K593 WeakPolarHBondContact O-CA 3.48Å; H574-K593 VanDerWaalsContact CE1-CE 3.46Å; H574-K593 WeakPolarHBondContact CE1-CE 2.95Å; H574-K593 WeakPolarHBondContact ND1-CE 3.36Å
594I87.3Confident83.3Confident4 Ų460.5 Ų60.52%0.02134%0.335CS..EExtended strand (participates in β ladder)trans-121.8122.1170.6-68.5159.4000108L573 Y575 V596 I599 Y631 L638L573-I594 HydrophobicContact CB-CB 4.47Å; L573-I594 PolarHBondContact N-O 2.81Å; L573-I594 PolarHBondContact O-N 3.47Å; Y575-I594 HydrophobicContact CD1-CD1 4.38Å; Y575-I594 HydrophobicContact CE1-CD1 3.58Å; Y575-I594 HydrophobicContact CE1-CG1 3.88Å; I594-V596 PolarHBondContact O-N 3.19Å; I594-I599 HydrophobicContact CG2-CG1 4.05Å; I594-Y631 HydrophobicContact CD1-CD1 4.1Å; I594-Y631 HydrophobicContact CD1-CE1 3.85Å; I594-Y631 HydrophobicContact CG1-CE2 4.5Å; I594-Y631 HydrophobicContact CG2-CG 4.37Å; I594-L638 HydrophobicContact CD1-CB 4.15Å; I594-L638 HydrophobicContact CD1-CD2 3.71Å; I594-L638 HydrophobicContact CD1-CG 4.49Å
595P88.9Confident84.2Confident44 Ų4455.5 Ų55.529%0.28631%0.311SS..EExtended strand (participates in β ladder)trans-62.2130.4168.4-20.233.6000110.1M572 A597 D598M572-P595 HydrophobicContact CE-CB 4.46Å; M572-P595 HydrophobicContact CE-CG 3.96Å; M572-P595 HydrophobicContact SD-CB 3.97Å; M572-P595 HydrophobicContact SD-CG 4.07Å; P595-A597 PolarHBondContact O-N 2.63Å; P595-D598 HydrophobicContact CB-CB 4.42Å; P595-D598 WeakPolarHBondContact CD-OD2 3.34Å; P595-D598 VanDerWaalsContact CG-OD2 3.25Å; P595-D598 WeakPolarHBondContact CG-OD2 3.47Å; P595-D598 WeakPolarHBondContact O-CB 3.27Å; P595-D598 PolarHBondContact O-N 3.42Å
596V88.1Confident84.5Confident16 Ų1662.3 Ų62.310%0.09734%0.339CS..G310 helixtrans-60.7-31.4179.3173.30000111.1L566 K571 I594 D598 I599 L658L566-V596 HydrophobicContact CD1-CG2 3.78Å; K571-V596 PolarHBondContact O-N 2.86Å; I594-V596 PolarHBondContact O-N 3.19Å; V596-D598 PolarHBondContact O-N 3.37Å; V596-I599 HydrophobicContact CB-CD1 4.49Å; V596-I599 HydrophobicContact CG1-CD1 4.44Å; V596-I599 WeakPolarHBondContact O-CB 3.43Å; V596-I599 PolarHBondContact O-N 3.42Å; V596-L658 HydrophobicContact CG1-CB 4.18Å; V596-L658 HydrophobicContact CG1-CD2 4.5Å
597A87.1Confident84.9Confident97 Ų9763.4 Ų63.480%0.80234%0.338SS*.G310 helixtrans-62.8-24.1175.600000113.8P595 I599P595-A597 PolarHBondContact O-N 2.63Å; A597-I599 VanDerWaalsContact C-N 3.32Å
598D88.1Confident85.3Confident58 Ų5861.4 Ų61.431%0.3133%0.327SS..G310 helixtrans-87.7-5-179-61.7-13.5000112.1P595 V596 K600 Y631 D632P595-D598 HydrophobicContact CB-CB 4.42Å; P595-D598 WeakPolarHBondContact CD-OD2 3.34Å; P595-D598 VanDerWaalsContact CG-OD2 3.25Å; P595-D598 WeakPolarHBondContact CG-OD2 3.47Å; P595-D598 WeakPolarHBondContact O-CB 3.27Å; P595-D598 PolarHBondContact O-N 3.42Å; V596-D598 PolarHBondContact O-N 3.37Å; D598-K600 PolarHBondContact O-N 2.99Å; D598-Y631 CarbonylContact O-C 3.56Å; D598-Y631 WeakPolarHBondContact O-CA 3.44Å; D598-Y631 VanDerWaalsContact O-CB 3.28Å; D598-Y631 WeakPolarHBondContact O-CB 3.4Å; D598-D632 HydrophobicContact CB-CB 4.49Å; D598-D632 PolarHBondContact O-N 2.73Å
599I89Confident85.6Confident18 Ų1855.2 Ų55.29%0.09230%0.303CS..EExtended strand (participates in β ladder)trans-77.2122.1179.6-57173.8000109.8I594 V596 A597 I629 L659I594-I599 HydrophobicContact CG2-CG1 4.05Å; V596-I599 HydrophobicContact CB-CD1 4.49Å; V596-I599 HydrophobicContact CG1-CD1 4.44Å; V596-I599 WeakPolarHBondContact O-CB 3.43Å; V596-I599 PolarHBondContact O-N 3.42Å; A597-I599 VanDerWaalsContact C-N 3.32Å; I599-I629 HydrophobicContact CB-CG2 4.21Å; I599-I629 HydrophobicContact CD1-CG2 3.94Å; I599-I629 HydrophobicContact CG1-CG2 3.82Å; I599-I629 HydrophobicContact CG2-CG2 3.42Å; I599-I629 VanDerWaalsContact CG2-CG2 3.42Å; I599-L659 HydrophobicContact CB-CD2 4.05Å; I599-L659 HydrophobicContact CG2-CD1 4.25Å; I599-L659 HydrophobicContact CG2-CD2 3.83Å; I599-L659 HydrophobicContact CG2-CG 4.48Å
600K86.2Confident85.6Confident112 Ų11251.6 Ų51.649%0.48728%0.279SS..EExtended strand (participates in β ladder)trans-89.8-36.8178.8-67.6-175.1176.5171.30112.9D598 T630 D632 R661D598-K600 PolarHBondContact O-N 2.99Å; K600-T630 PolarHBondContact N-O 3.15Å; K600-D632 WeakPolarHBondContact CE-OD1 3.15Å; K600-D632 WeakPolarHBondContact CE-OD2 3.28Å; K600-D632 IonicContact NZ-OD1 3.73Å; K600-D632 PolarHBondContact NZ-OD1 3.22Å; K600-R661 PolarHBondContact O-NH2 3.35Å
601G86.6Confident85.5Confident9 Ų952 Ų529%0.09328%0.281CS..EExtended strand (participates in β ladder)trans-169.6164.2-172.300000114.7T630G601-T630 PolarHBondContact N-O 3.37Å; G601-T630 PolarHBondContact N-OG1 3.13Å; G601-T630 PolarHBondContact O-N 3.2Å; G601-T630 PolarHBondContact O-OG1 3.21Å
602L91.5Very high85.2Confident27 Ų2751.9 Ų51.914%0.14128%0.279CS..EExtended strand (participates in β ladder)trans-114.9124.8173.1177.665.2000107.7F627 S628 I629 T652 L655 L659L602-F627 HydrophobicContact CD1-CB 4.22Å; L602-F627 HydrophobicContact CD1-CD2 3.85Å; L602-F627 HydrophobicContact CD1-CG 4.49Å; L602-S628 WeakPolarHBondContact CA-O 3.28Å; L602-I629 HydrophobicContact CD1-CG1 4.49Å; L602-T652 HydrophobicContact CD2-CG2 4.18Å; L602-T652 WeakPolarHBondContact CD2-O 3.3Å; L602-L655 HydrophobicContact CD1-CD1 3.92Å; L602-L655 HydrophobicContact CD2-CB 4.21Å; L602-L659 HydrophobicContact CB-CD1 4.44Å
603L91Very high84Confident56 Ų5657.4 Ų57.429%0.29330%0.304SS..EExtended strand (participates in β ladder)trans-109148.9173.8-57.7176.2000108.7F627 S628 T630L603-F627 CarbonylContact O-C 3.32Å; L603-F627 WeakPolarHBondContact O-CA 3.35Å; L603-F627 WeakPolarHBondContact O-CB 3.42Å; L603-S628 PolarHBondContact N-O 3.1Å; L603-S628 PolarHBondContact O-N 3.32Å; L603-T630 HydrophobicContact CD1-CG2 3.74Å; L603-T630 HydrophobicContact CG-CG2 4.27Å
604T90.5Very high82.4Confident61 Ų6155.5 Ų55.537%0.37430%0.298SS..EExtended strand (participates in β ladder)trans-135.7146.8-179.555.80000111.3K606 D607 C608 A626 F627 F648 T652T604-K606 PolarHBondContact O-N 3.16Å; T604-D607 PolarHBondContact O-N 3.32Å; T604-C608 VanDerWaalsContact C-SG 3.5Å; T604-C608 VanDerWaalsContact CA-SG 3.6Å; T604-A626 CarbonylContact C-O 3.58Å; T604-A626 WeakPolarHBondContact CA-O 3.35Å; T604-F627 HydrophobicContact CG2-CB 4.11Å; T604-F648 HydrophobicContact CG2-CE2 4.4Å; T604-F648 HydrophobicContact CG2-CZ 3.98Å; T604-T652 HydrophobicContact CG2-CG2 4.09Å
605G86.5Confident80.4Confident12 Ų1264.5 Ų64.512%0.12434%0.337CS..G310 helixtrans51.6-128.3178.900000114.2D607 C608 M611 L623 A626G605-D607 PolarHBondContact O-N 3.45Å; G605-C608 PolarHBondContact N-SG 3.07Å; G605-C608 VanDerWaalsContact O-CB 3.25Å; G605-C608 WeakPolarHBondContact O-CB 3.47Å; G605-C608 PolarHBondContact O-N 2.84Å; G605-C608 PolarHBondContact O-SG 2.76Å; G605-M611 WeakPolarHBondContact O-CG 3.48Å; G605-L623 WeakPolarHBondContact CA-O 3.43Å; G605-A626 PolarHBondContact N-O 3.17Å
606K83.4Confident78.3Confident156 Ų15665.8 Ų65.868%0.67836%0.359SS*.G310 helixtrans-57.2-20.7-17667.8-178.7-178.9-1790114.9T604 C608 K612T604-K606 PolarHBondContact O-N 3.16Å; K606-C608 VanDerWaalsContact C-N 3.28Å; K606-K612 WeakPolarHBondContact O-CE 3.31Å; K606-K612 WeakPolarHBondContact O-CG 3.46Å
607D84.4Confident76.4Confident78 Ų7874.7 Ų74.742%0.41740%0.396SS..G310 helixtrans-80.3-15.5-179.5-64.7-43.3000112.2T604 G605 K612T604-D607 PolarHBondContact O-N 3.32Å; G605-D607 PolarHBondContact O-N 3.45Å; D607-K612 PolarHBondContact O-NZ 2.68Å
608C85.5Confident74.9Confident0 Ų072.8 Ų72.80%037%0.37CS..SBendtrans-66.9136.2176.9-56.30000111.7T604 G605 K606 H610 M611 K612 F627 S628T604-C608 VanDerWaalsContact C-SG 3.5Å; T604-C608 VanDerWaalsContact CA-SG 3.6Å; G605-C608 PolarHBondContact N-SG 3.07Å; G605-C608 VanDerWaalsContact O-CB 3.25Å; G605-C608 WeakPolarHBondContact O-CB 3.47Å; G605-C608 PolarHBondContact O-N 2.84Å; G605-C608 PolarHBondContact O-SG 2.76Å; K606-C608 VanDerWaalsContact C-N 3.28Å; C608-H610 VanDerWaalsContact C-N 3.33Å; C608-H610 WeakPolarHBondContact CB-CE1 3.31Å; C608-H610 WeakPolarHBondContact CB-ND1 3.24Å; C608-H610 PolarHBondContact O-N 2.78Å; C608-M611 HydrophobicContact CB-CB 4.31Å; C608-M611 HydrophobicContact CB-CG 3.95Å; C608-M611 PolarHBondContact O-N 3.18Å; C608-K612 PolarHBondContact O-N 2.71Å; C608-F627 VanDerWaalsContact SG-CA 3.56Å; C608-S628 WeakPolarHBondContact CB-OG 3.49Å
609P81Confident73.5Confident48 Ų4873 Ų7331%0.31237%0.373SS..Hα-helixtrans-55.9-44.6-178.7-29.138.4000113.3M611 K612 S637P609-M611 PolarHBondContact O-N 3.02Å; P609-M611 VanDerWaalsContact O-N 3.14Å; P609-K612 PolarHBondContact O-N 3.06Å; P609-S637 WeakPolarHBondContact CG-OG 3.45Å
610H77.4Confident72.6Confident13 Ų1379.8 Ų79.86%0.0640%0.402CS..Hα-helixtrans-67.1-12.818067.9-80.4000114.7C608 S628 N639C608-H610 VanDerWaalsContact C-N 3.33Å; C608-H610 WeakPolarHBondContact CB-CE1 3.31Å; C608-H610 WeakPolarHBondContact CB-ND1 3.24Å; C608-H610 PolarHBondContact O-N 2.78Å; H610-S628 PolarHBondContact CE1-OG 2.72Å; H610-S628 PolarHBondContact ND1-OG 2.88Å; H610-S628 VanDerWaalsContact ND1-OG 3.13Å; H610-N639 HydrophobicContact CB-CB 4.22Å; H610-N639 WeakPolarHBondContact ND1-CB 3.46Å; H610-N639 VanDerWaalsContact ND1-CG 3.28Å; H610-N639 PolarHBondContact ND1-OD1 3.06Å
611M76.7Confident71.7Confident11 Ų1177.2 Ų77.25%0.05439%0.392CS..Hα-helixtrans-93.9-21.9174.8-64.2-75.2118.300111.9G605 C608 P609 Q618 V622 L623 A626 I641G605-M611 WeakPolarHBondContact O-CG 3.48Å; C608-M611 HydrophobicContact CB-CB 4.31Å; C608-M611 HydrophobicContact CB-CG 3.95Å; C608-M611 PolarHBondContact O-N 3.18Å; P609-M611 PolarHBondContact O-N 3.02Å; P609-M611 VanDerWaalsContact O-N 3.14Å; M611-Q618 PolarHBondContact SD-OE1 3.07Å; M611-V622 HydrophobicContact CE-CG1 4.06Å; M611-L623 HydrophobicContact CB-CD2 3.88Å; M611-L623 HydrophobicContact CG-CD2 3.95Å; M611-L623 HydrophobicContact SD-CD2 3.52Å; M611-L623 VanDerWaalsContact SD-CD2 3.52Å; M611-L623 HydrophobicContact SD-CG 4.13Å; M611-A626 HydrophobicContact CE-CB 4.02Å; M611-A626 HydrophobicContact CG-CB 3.78Å; M611-A626 HydrophobicContact SD-CB 3.77Å; M611-I641 HydrophobicContact CE-CD1 4.37Å
612K69.4Low71Confident114 Ų11478 Ų7850%0.49640%0.395SS..Hα-helixtrans-78.3-25.1179.9-71.1178.5-178.8167.20113.5K606 D607 C608 P609 K615K606-K612 WeakPolarHBondContact O-CE 3.31Å; K606-K612 WeakPolarHBondContact O-CG 3.46Å; D607-K612 PolarHBondContact O-NZ 2.68Å; C608-K612 PolarHBondContact O-N 2.71Å; P609-K612 PolarHBondContact O-N 3.06Å; K612-K615 VanDerWaalsContact O-CE 3.28Å; K612-K615 WeakPolarHBondContact O-CE 3.3Å; K612-K615 WeakPolarHBondContact O-CG 3.24Å
613E58.7Low70.5Confident168 Ų16879.1 Ų79.179%0.78540%0.401SS*.SBendtrans-80.3-23.8-177.7-66-176.8161.100113.1
614N52.5Low70.1Confident64 Ų6480 Ų8034%0.34241%0.406SS..  trans-106.954.5-173.4-89-30.2000113.7G616 Q618N614-G616 PolarHBondContact O-N 2.93Å; N614-Q618 HydrophobicContact CB-CG 4.06Å; N614-Q618 PolarHBondContact ND2-NE2 3.37Å
615K46.7Very low69.9Low193 Ų19377.6 Ų77.684%0.83939%0.391SS*.THydrogen-bonded Turntrans-66.22.3-171.5-65.4-172.6178.1176.20116.9K612K612-K615 VanDerWaalsContact O-CE 3.28Å; K612-K615 WeakPolarHBondContact O-CE 3.3Å; K612-K615 WeakPolarHBondContact O-CG 3.24Å
616G43.7Very low70Confident71 Ų7177 Ų7773%0.73239%0.385SS*.THydrogen-bonded Turntrans-118.1-17.5-167.100000118.3N614N614-G616 PolarHBondContact O-N 2.93Å
617K48Very low70.4Confident203 Ų20369.6 Ų69.688%0.88335%0.353SS*.THydrogen-bonded Turntrans-148.212.8-166.8-78-170.2177.4-177.60116.5
618Q55.2Low70.8Confident57 Ų5765.9 Ų65.927%0.26633%0.333SS..  trans-91126.2-175.7-69-171.6-14.100112.7M611 N614M611-Q618 PolarHBondContact SD-OE1 3.07Å; N614-Q618 HydrophobicContact CB-CG 4.06Å; N614-Q618 PolarHBondContact ND2-NE2 3.37Å
619T59.2Low71Confident61 Ų6166 Ų6637%0.37433%0.333SS..  trans-60.3137.4173.5-43.20000109.6E423 E621 V622E423-T619 VanDerWaalsContact OE1-CB 3.31Å; E423-T619 WeakPolarHBondContact OE1-CB 3.49Å; E423-T619 PolarHBondContact OE1-OG1 3.28Å; T619-E621 HydrophobicContact CG2-CB 4.42Å; T619-E621 HydrophobicContact CG2-CG 4.41Å; T619-E621 PolarHBondContact O-N 3Å; T619-V622 PolarHBondContact O-N 3.01Å; T619-V622 VanDerWaalsContact O-N 3.07Å
620K70.3Confident71.4Confident161 Ų16165.4 Ų65.470%0.733%0.329SS*.Hα-helixtrans-51.4-31.6179.2-175.8-176.5172.3-170.30112.9L623 D624K620-L623 WeakPolarHBondContact O-CB 2.94Å; K620-L623 PolarHBondContact O-N 3.42Å; K620-D624 PolarHBondContact O-N 3.42Å
621E67.6Low71.7Confident59 Ų5966.6 Ų66.628%0.27633%0.333SS..Hα-helixtrans-67.2-38.7-179.8-60.5-172.4167.200113.5S422 E423 T619 L623 D624 L625S422-E621 WeakPolarHBondContact CA-OE1 2.91Å; S422-E621 WeakPolarHBondContact CA-OE2 3.46Å; S422-E621 WeakPolarHBondContact CB-OE1 3.39Å; S422-E621 VanDerWaalsContact CB-OE2 3.27Å; S422-E621 WeakPolarHBondContact CB-OE2 3.34Å; S422-E621 PolarHBondContact OG-OE1 3.21Å; S422-E621 PolarHBondContact OG-OE2 3.23Å; E423-E621 PolarHBondContact N-OE2 2.88Å; T619-E621 HydrophobicContact CG2-CB 4.42Å; T619-E621 HydrophobicContact CG2-CG 4.41Å; T619-E621 PolarHBondContact O-N 3Å; E621-L623 VanDerWaalsContact C-N 3.31Å; E621-L623 PolarHBondContact O-N 2.84Å; E621-D624 PolarHBondContact O-N 2.99Å; E621-D624 VanDerWaalsContact O-N 3.13Å; E621-L625 WeakPolarHBondContact O-CG 3.35Å; E621-L625 PolarHBondContact O-N 3.32Å
622V72.2Confident71.4Confident26 Ų2670.7 Ų70.716%0.15836%0.355CS..Hα-helixtrans-66.4-38.7178.3179.40000110.5E423 M611 T619 D624 L625 A626 I641E423-V622 WeakPolarHBondContact OE2-CG2 3.42Å; M611-V622 HydrophobicContact CE-CG1 4.06Å; T619-V622 PolarHBondContact O-N 3.01Å; T619-V622 VanDerWaalsContact O-N 3.07Å; V622-D624 VanDerWaalsContact C-N 3.27Å; V622-D624 PolarHBondContact O-N 2.86Å; V622-L625 PolarHBondContact O-N 3.4Å; V622-A626 WeakPolarHBondContact O-CB 3.46Å; V622-A626 PolarHBondContact O-N 3.33Å; V622-I641 HydrophobicContact CG1-CD1 3.77Å; V622-I641 HydrophobicContact CG1-CG1 4.36Å
623L80.1Confident70.9Confident49 Ų4969 Ų6926%0.25736%0.355SS..Hα-helixtrans-61-37.6173.1-75.1161.6000111.6G605 M611 K620 E621 L625 A626G605-L623 WeakPolarHBondContact CA-O 3.43Å; M611-L623 HydrophobicContact CB-CD2 3.88Å; M611-L623 HydrophobicContact CG-CD2 3.95Å; M611-L623 HydrophobicContact SD-CD2 3.52Å; M611-L623 VanDerWaalsContact SD-CD2 3.52Å; M611-L623 HydrophobicContact SD-CG 4.13Å; K620-L623 WeakPolarHBondContact O-CB 2.94Å; K620-L623 PolarHBondContact O-N 3.42Å; E621-L623 VanDerWaalsContact C-N 3.31Å; E621-L623 PolarHBondContact O-N 2.84Å; L623-L625 PolarHBondContact O-N 3.03Å; L623-A626 PolarHBondContact O-N 2.91Å
624D82.9Confident70.7Confident74 Ų7468.3 Ų68.340%0.39635%0.351SS..Hα-helixtrans-74-11.5-179.8-74.6-16.1000113.5K620 E621 V622 R645K620-D624 PolarHBondContact O-N 3.42Å; E621-D624 PolarHBondContact O-N 2.99Å; E621-D624 VanDerWaalsContact O-N 3.13Å; V622-D624 VanDerWaalsContact C-N 3.27Å; V622-D624 PolarHBondContact O-N 2.86Å; D624-R645 PolarHBondContact O-NH1 3.03Å
625L86.9Confident71Confident12 Ų1274.2 Ų74.26%0.06338%0.377CS..Hα-helixtrans-112-5.7178.5-62.3178.4000113.7T424 E621 V622 L623 I641 A642 R645 F648T424-L625 HydrophobicContact CG2-CD1 4.03Å; E621-L625 WeakPolarHBondContact O-CG 3.35Å; E621-L625 PolarHBondContact O-N 3.32Å; V622-L625 PolarHBondContact O-N 3.4Å; L623-L625 PolarHBondContact O-N 3.03Å; L625-I641 HydrophobicContact CB-CG2 4.36Å; L625-A642 HydrophobicContact CB-CB 4.41Å; L625-A642 PolarHBondContact O-N 3.33Å; L625-R645 HydrophobicContact CD2-CB 4.07Å; L625-F648 HydrophobicContact CD2-CB 4.12Å; L625-F648 WeakPolarHBondContact O-CD2 3.13Å
626A88.1Confident71.9Confident0 Ų067.3 Ų67.30%035%0.352CS..EExtended strand (participates in β ladder)trans-81.2131.6-178.100000111.7T604 G605 M611 V622 L623 F640T604-A626 CarbonylContact C-O 3.58Å; T604-A626 WeakPolarHBondContact CA-O 3.35Å; G605-A626 PolarHBondContact N-O 3.17Å; M611-A626 HydrophobicContact CE-CB 4.02Å; M611-A626 HydrophobicContact CG-CB 3.78Å; M611-A626 HydrophobicContact SD-CB 3.77Å; V622-A626 WeakPolarHBondContact O-CB 3.46Å; V622-A626 PolarHBondContact O-N 3.33Å; L623-A626 PolarHBondContact O-N 2.91Å; A626-F640 WeakPolarHBondContact CA-O 3.43Å
627F92.6Very high73.7Confident0 Ų065.1 Ų65.10%033%0.326CS..EExtended strand (participates in β ladder)trans-141.8161.7168.465.9-80.8000111.2F549 L602 L603 T604 C608 F640 A642 F648 W651 T652 L655F549-F627 HydrophobicContact CE1-CE1 4.05Å; F549-F627 AromaticContact CE1-CZ 3.83Å; F549-F627 HydrophobicContact CE1-CZ 3.83Å; F549-F627 HydrophobicContact CZ-CZ 4.11Å; L602-F627 HydrophobicContact CD1-CB 4.22Å; L602-F627 HydrophobicContact CD1-CD2 3.85Å; L602-F627 HydrophobicContact CD1-CG 4.49Å; L603-F627 CarbonylContact O-C 3.32Å; L603-F627 WeakPolarHBondContact O-CA 3.35Å; L603-F627 WeakPolarHBondContact O-CB 3.42Å; T604-F627 HydrophobicContact CG2-CB 4.11Å; C608-F627 VanDerWaalsContact SG-CA 3.56Å; F627-F640 HydrophobicContact CD1-CB 3.7Å; F627-F640 HydrophobicContact CD2-CB 3.86Å; F627-F640 AromaticContact CD2-CD2 3.78Å; F627-F640 HydrophobicContact CD2-CD2 3.78Å; F627-F640 AromaticContact CD2-CG 3.91Å; F627-F640 HydrophobicContact CD2-CG 3.91Å; F627-F640 HydrophobicContact CE1-CB 3.4Å; F627-F640 HydrophobicContact CE1-CD1 4.42Å; F627-F640 HydrophobicContact CE1-CG 4.05Å; F627-F640 HydrophobicContact CE2-CB 3.57Å; F627-F640 AromaticContact CE2-CD1 3.75Å; F627-F640 HydrophobicContact CE2-CD1 3.75Å; F627-F640 AromaticContact CE2-CD2 3.49Å; F627-F640 HydrophobicContact CE2-CD2 3.49Å; F627-F640 VanDerWaalsContact CE2-CD2 3.49Å; F627-F640 HydrophobicContact CE2-CE1 4.24Å; F627-F640 HydrophobicContact CE2-CE2 4.04Å; F627-F640 AromaticContact CE2-CG 3.33Å; F627-F640 HydrophobicContact CE2-CG 3.33Å; F627-F640 HydrophobicContact CE2-CZ 4.38Å; F627-F640 HydrophobicContact CG-CB 3.93Å; F627-F640 HydrophobicContact CG-CG 4.48Å; F627-F640 HydrophobicContact CZ-CB 3.33Å; F627-F640 AromaticContact CZ-CD1 3.58Å; F627-F640 HydrophobicContact CZ-CD1 3.58Å; F627-F640 HydrophobicContact CZ-CD2 4.09Å; F627-F640 HydrophobicContact CZ-CE1 4.34Å; F627-F640 AromaticContact CZ-CG 3.42Å; F627-F640 HydrophobicContact CZ-CG 3.42Å; F627-F640 VanDerWaalsContact CZ-CG 3.42Å; F627-F640 PolarHBondContact N-O 3.49Å; F627-F640 WeakPolarHBondContact O-CA 3.33Å; F627-F640 PolarHBondContact O-N 3.39Å; F627-F640 VanDerWaalsContact O-O 3.08Å; F627-A642 HydrophobicContact CE1-CB 4.13Å; F627-F648 HydrophobicContact CB-CE2 4Å; F627-F648 AromaticContact CD1-CD2 3.78Å; F627-F648 HydrophobicContact CD1-CD2 3.78Å; F627-F648 HydrophobicContact CD1-CE2 4.05Å; F627-F648 HydrophobicContact CE1-CD2 4.48Å; F627-F648 HydrophobicContact CG-CE2 4.44Å; F627-W651 HydrophobicContact CE1-CB 4.29Å; F627-W651 HydrophobicContact CE2-CB 4.17Å; F627-W651 HydrophobicContact CZ-CB 3.68Å; F627-W651 HydrophobicContact CZ-CD2 4.44Å; F627-W651 HydrophobicContact CZ-CE3 4.48Å; F627-W651 HydrophobicContact CZ-CG 4.1Å; F627-T652 HydrophobicContact CB-CG2 4.08Å; F627-T652 HydrophobicContact CD1-CG2 4.42Å; F627-T652 HydrophobicContact CD2-CG2 4.48Å; F627-T652 HydrophobicContact CG-CG2 4.09Å; F627-L655 HydrophobicContact CD2-CD1 4.12Å; F627-L655 HydrophobicContact CE2-CD1 3.77Å
628S91.4Very high75.6Confident0 Ų056.4 Ų56.40%029%0.289CS..EExtended strand (participates in β ladder)trans-147.2138.2-179.5-55.80000111.8L602 L603 C608 H610 L638 N639L602-S628 WeakPolarHBondContact CA-O 3.28Å; L603-S628 PolarHBondContact N-O 3.1Å; L603-S628 PolarHBondContact O-N 3.32Å; C608-S628 WeakPolarHBondContact CB-OG 3.49Å; H610-S628 PolarHBondContact CE1-OG 2.72Å; H610-S628 PolarHBondContact ND1-OG 2.88Å; H610-S628 VanDerWaalsContact ND1-OG 3.13Å; S628-L638 CarbonylContact C-O 3.45Å; S628-L638 VanDerWaalsContact CA-O 3.23Å; S628-L638 WeakPolarHBondContact CA-O 3.49Å; S628-N639 PolarHBondContact OG-OD1 3.05Å
629I91.5Very high77.1Confident2 Ų255.9 Ų55.91%0.0129%0.288CS..EExtended strand (participates in β ladder)trans-97.6120.6175.3-62.1173.7000107.7L573 I599 L602 S637 L638 F640 L655L573-I629 HydrophobicContact CD2-CD1 3.72Å; I599-I629 HydrophobicContact CB-CG2 4.21Å; I599-I629 HydrophobicContact CD1-CG2 3.94Å; I599-I629 HydrophobicContact CG1-CG2 3.82Å; I599-I629 HydrophobicContact CG2-CG2 3.42Å; I599-I629 VanDerWaalsContact CG2-CG2 3.42Å; L602-I629 HydrophobicContact CD1-CG1 4.49Å; I629-S637 CarbonylContact O-C 3.5Å; I629-S637 VanDerWaalsContact O-CA 3.23Å; I629-S637 WeakPolarHBondContact O-CA 3.49Å; I629-L638 HydrophobicContact CB-CB 4.39Å; I629-L638 PolarHBondContact N-O 2.99Å; I629-L638 PolarHBondContact O-N 3.21Å; I629-F640 HydrophobicContact CB-CE2 4.3Å; I629-F640 HydrophobicContact CD1-CE2 3.52Å; I629-F640 HydrophobicContact CD1-CZ 3.7Å; I629-F640 HydrophobicContact CG1-CD2 4.5Å; I629-F640 HydrophobicContact CG1-CE2 3.71Å; I629-F640 HydrophobicContact CG1-CZ 4.4Å; I629-L655 HydrophobicContact CD1-CD1 3.71Å; I629-L655 HydrophobicContact CD1-CD2 3.62Å; I629-L655 HydrophobicContact CD1-CG 4.34Å; I629-L655 HydrophobicContact CG1-CD1 3.89Å; I629-L655 HydrophobicContact CG1-CD2 4.38Å
630T88.6Confident78.6Confident36 Ų3653 Ų5322%0.22127%0.27CS..EExtended strand (participates in β ladder)trans-95.2136173.455.80000110.2K600 G601 L603K600-T630 PolarHBondContact N-O 3.15Å; G601-T630 PolarHBondContact N-O 3.37Å; G601-T630 PolarHBondContact N-OG1 3.13Å; G601-T630 PolarHBondContact O-N 3.2Å; G601-T630 PolarHBondContact O-OG1 3.21Å; L603-T630 HydrophobicContact CD1-CG2 3.74Å; L603-T630 HydrophobicContact CG-CG2 4.27Å
631Y84.6Confident79.3Confident38 Ų3847 Ų4715%0.14925%0.245CC..EExtended strand (participates in β ladder)trans-139.4166.5-177.460-84.2000113I594 D598 V633 C636 L638I594-Y631 HydrophobicContact CD1-CD1 4.1Å; I594-Y631 HydrophobicContact CD1-CE1 3.85Å; I594-Y631 HydrophobicContact CG1-CE2 4.5Å; I594-Y631 HydrophobicContact CG2-CG 4.37Å; D598-Y631 CarbonylContact O-C 3.56Å; D598-Y631 WeakPolarHBondContact O-CA 3.44Å; D598-Y631 VanDerWaalsContact O-CB 3.28Å; D598-Y631 WeakPolarHBondContact O-CB 3.4Å; Y631-V633 VanDerWaalsContact C-N 3.26Å; Y631-V633 HydrophobicContact CD2-CB 4.1Å; Y631-V633 HydrophobicContact CD2-CG2 4.11Å; Y631-V633 HydrophobicContact CE2-CB 3.96Å; Y631-V633 HydrophobicContact CE2-CG2 4.2Å; Y631-V633 PolarHBondContact O-N 3.39Å; Y631-V633 VanDerWaalsContact O-N 3.16Å; Y631-C636 WeakPolarHBondContact CD1-O 3.34Å; Y631-C636 HydrophobicContact CE1-CB 4.05Å; Y631-C636 HydrophobicContact CE2-CB 4.02Å; Y631-C636 PolarHBondContact N-O 3.19Å; Y631-L638 HydrophobicContact CE1-CB 4.2Å
632D68.4Low80.2Confident96 Ų9644.2 Ų44.251%0.51323%0.233SC..SBendtrans-71.5-5.9-162.7-123.2-34.8000116.6D598 K600 E634D598-D632 HydrophobicContact CB-CB 4.49Å; D598-D632 PolarHBondContact O-N 2.73Å; K600-D632 WeakPolarHBondContact CE-OD1 3.15Å; K600-D632 WeakPolarHBondContact CE-OD2 3.28Å; K600-D632 IonicContact NZ-OD1 3.73Å; K600-D632 PolarHBondContact NZ-OD1 3.22Å; D632-E634 PolarHBondContact O-N 2.82Å
633V59.4Low80.6Confident80 Ų8045.1 Ų45.149%0.48524%0.239SC..SBendtrans-87.3104177.3-170.40000108.2Y631 E635 C636Y631-V633 VanDerWaalsContact C-N 3.26Å; Y631-V633 HydrophobicContact CD2-CB 4.1Å; Y631-V633 HydrophobicContact CD2-CG2 4.11Å; Y631-V633 HydrophobicContact CE2-CB 3.96Å; Y631-V633 HydrophobicContact CE2-CG2 4.2Å; Y631-V633 PolarHBondContact O-N 3.39Å; Y631-V633 VanDerWaalsContact O-N 3.16Å; V633-E635 PolarHBondContact O-N 2.64Å; V633-C636 VanDerWaalsContact O-CB 3.24Å; V633-C636 WeakPolarHBondContact O-CB 3.34Å; V633-C636 PolarHBondContact O-N 3.24Å; V633-C636 PolarHBondContact O-SG 3.31Å
634E54Low80.7Confident153 Ų15344.3 Ų44.372%0.71524%0.237SC*.THydrogen-bonded Turntrans52.839.1167.3-58.2-169.6165.900117.3D632 C636D632-E634 PolarHBondContact O-N 2.82Å; E634-C636 PolarHBondContact O-N 2.86Å
635E58.7Low80.7Confident187 Ų18746.3 Ų46.387%0.87424%0.239SC*.THydrogen-bonded Turntrans55.323.6-176-63.4-171.1157.100113.6V633V633-E635 PolarHBondContact O-N 2.64Å
636C67.1Low80.7Confident48 Ų4849.7 Ų49.732%0.32426%0.261SS..  trans-67.6141.1175.3-64.20000110.9Y631 V633 E634Y631-C636 WeakPolarHBondContact CD1-O 3.34Å; Y631-C636 HydrophobicContact CE1-CB 4.05Å; Y631-C636 HydrophobicContact CE2-CB 4.02Å; Y631-C636 PolarHBondContact N-O 3.19Å; V633-C636 VanDerWaalsContact O-CB 3.24Å; V633-C636 WeakPolarHBondContact O-CB 3.34Å; V633-C636 PolarHBondContact O-N 3.24Å; V633-C636 PolarHBondContact O-SG 3.31Å; E634-C636 PolarHBondContact O-N 2.86Å
637S81.4Confident80.7Confident26 Ų2651.6 Ų51.618%0.18227%0.271CS..EExtended strand (participates in β ladder)trans-119.8129.3171.8660000110.4P609 I629 N639P609-S637 WeakPolarHBondContact CG-OG 3.45Å; I629-S637 CarbonylContact O-C 3.5Å; I629-S637 VanDerWaalsContact O-CA 3.23Å; I629-S637 WeakPolarHBondContact O-CA 3.49Å; S637-N639 PolarHBondContact O-N 2.87Å; S637-N639 PolarHBondContact OG-OD1 3.43Å; S637-N639 VanDerWaalsContact OG-OD1 3.06Å
638L86.6Confident80.7Confident20 Ų2052.9 Ų52.911%0.10528%0.277CS..EExtended strand (participates in β ladder)trans-82.1113.7166.7-175.862.4000107.7W562 L573 Y575 I594 S628 I629 Y631 F640W562-L638 HydrophobicContact CH2-CD1 3.87Å; W562-L638 HydrophobicContact CH2-CD2 4.07Å; W562-L638 HydrophobicContact CH2-CG 3.98Å; W562-L638 HydrophobicContact CZ3-CD1 4.17Å; W562-L638 HydrophobicContact CZ3-CD2 4.25Å; L573-L638 HydrophobicContact CD2-CD2 4.33Å; Y575-L638 HydrophobicContact CD1-CD2 3.99Å; Y575-L638 HydrophobicContact CD2-CD1 4.32Å; Y575-L638 HydrophobicContact CE1-CD2 4.02Å; Y575-L638 HydrophobicContact CE2-CD1 3.97Å; Y575-L638 HydrophobicContact CG-CD2 4.33Å; I594-L638 HydrophobicContact CD1-CB 4.15Å; I594-L638 HydrophobicContact CD1-CD2 3.71Å; I594-L638 HydrophobicContact CD1-CG 4.49Å; S628-L638 CarbonylContact C-O 3.45Å; S628-L638 VanDerWaalsContact CA-O 3.23Å; S628-L638 WeakPolarHBondContact CA-O 3.49Å; I629-L638 HydrophobicContact CB-CB 4.39Å; I629-L638 PolarHBondContact N-O 2.99Å; I629-L638 PolarHBondContact O-N 3.21Å; Y631-L638 HydrophobicContact CE1-CB 4.2Å; L638-F640 HydrophobicContact CB-CE2 4Å; L638-F640 HydrophobicContact CD2-CE1 4.39Å; L638-F640 HydrophobicContact CD2-CE2 3.73Å; L638-F640 HydrophobicContact CD2-CZ 3.42Å; L638-F640 VanDerWaalsContact CD2-CZ 3.42Å; L638-F640 HydrophobicContact CG-CD2 4.39Å; L638-F640 HydrophobicContact CG-CE2 3.54Å; L638-F640 HydrophobicContact CG-CZ 3.71Å; L638-F640 VanDerWaalsContact O-CD2 3.3Å; L638-F640 WeakPolarHBondContact O-CD2 3.36Å; L638-F640 WeakPolarHBondContact O-CE2 3.41Å
639N88.5Confident80.7Confident45 Ų4553.3 Ų53.324%0.24128%0.279CS..EExtended strand (participates in β ladder)trans-95.6138.3-173.1-61.5-53.6000110.6I552 W562 H610 S628 S637I552-N639 HydrophobicContact CD1-CB 3.38Å; W562-N639 WeakPolarHBondContact CZ2-O 3.4Å; H610-N639 HydrophobicContact CB-CB 4.22Å; H610-N639 WeakPolarHBondContact ND1-CB 3.46Å; H610-N639 VanDerWaalsContact ND1-CG 3.28Å; H610-N639 PolarHBondContact ND1-OD1 3.06Å; S628-N639 PolarHBondContact OG-OD1 3.05Å; S637-N639 PolarHBondContact O-N 2.87Å; S637-N639 PolarHBondContact OG-OD1 3.43Å; S637-N639 VanDerWaalsContact OG-OD1 3.06Å
640F89.3Confident80.7Confident0 Ų054 Ų540%028%0.283CS..EExtended strand (participates in β ladder)trans-130.7142.3-178.8-60.7-104000110.4F549 W562 C564 A626 F627 I629 L638 W651F549-F640 HydrophobicContact CD1-CB 4.45Å; F549-F640 AromaticContact CD1-CD1 3.94Å; F549-F640 HydrophobicContact CD1-CD1 3.94Å; F549-F640 HydrophobicContact CD2-CD1 4.13Å; F549-F640 HydrophobicContact CD2-CE1 4.38Å; F549-F640 HydrophobicContact CE1-CB 4.46Å; F549-F640 AromaticContact CE1-CD1 3.78Å; F549-F640 HydrophobicContact CE1-CD1 3.78Å; F549-F640 AromaticContact CE2-CD1 3.98Å; F549-F640 HydrophobicContact CE2-CD1 3.98Å; F549-F640 HydrophobicContact CE2-CE1 4.07Å; F549-F640 HydrophobicContact CG-CD1 4.1Å; F549-F640 AromaticContact CZ-CD1 3.78Å; F549-F640 HydrophobicContact CZ-CD1 3.78Å; F549-F640 HydrophobicContact CZ-CE1 4.16Å; W562-F640 AromaticContact CH2-CD1 3.52Å; W562-F640 HydrophobicContact CH2-CD1 3.52Å; W562-F640 AromaticContact CH2-CE1 3.23Å; W562-F640 HydrophobicContact CH2-CE1 3.23Å; W562-F640 HydrophobicContact CH2-CE2 4.37Å; W562-F640 HydrophobicContact CH2-CG 4.24Å; W562-F640 AromaticContact CH2-CZ 3.71Å; W562-F640 HydrophobicContact CH2-CZ 3.71Å; W562-F640 AromaticContact CZ2-CD1 3.59Å; W562-F640 HydrophobicContact CZ2-CD1 3.59Å; W562-F640 AromaticContact CZ2-CE1 3.83Å; W562-F640 HydrophobicContact CZ2-CE1 3.83Å; W562-F640 HydrophobicContact CZ2-CG 4.16Å; W562-F640 HydrophobicContact CZ3-CE1 4.08Å; C564-F640 HydrophobicContact CB-CE1 4.18Å; A626-F640 WeakPolarHBondContact CA-O 3.43Å; F627-F640 HydrophobicContact CD1-CB 3.7Å; F627-F640 HydrophobicContact CD2-CB 3.86Å; F627-F640 AromaticContact CD2-CD2 3.78Å; F627-F640 HydrophobicContact CD2-CD2 3.78Å; F627-F640 AromaticContact CD2-CG 3.91Å; F627-F640 HydrophobicContact CD2-CG 3.91Å; F627-F640 HydrophobicContact CE1-CB 3.4Å; F627-F640 HydrophobicContact CE1-CD1 4.42Å; F627-F640 HydrophobicContact CE1-CG 4.05Å; F627-F640 HydrophobicContact CE2-CB 3.57Å; F627-F640 AromaticContact CE2-CD1 3.75Å; F627-F640 HydrophobicContact CE2-CD1 3.75Å; F627-F640 AromaticContact CE2-CD2 3.49Å; F627-F640 HydrophobicContact CE2-CD2 3.49Å; F627-F640 VanDerWaalsContact CE2-CD2 3.49Å; F627-F640 HydrophobicContact CE2-CE1 4.24Å; F627-F640 HydrophobicContact CE2-CE2 4.04Å; F627-F640 AromaticContact CE2-CG 3.33Å; F627-F640 HydrophobicContact CE2-CG 3.33Å; F627-F640 HydrophobicContact CE2-CZ 4.38Å; F627-F640 HydrophobicContact CG-CB 3.93Å; F627-F640 HydrophobicContact CG-CG 4.48Å; F627-F640 HydrophobicContact CZ-CB 3.33Å; F627-F640 AromaticContact CZ-CD1 3.58Å; F627-F640 HydrophobicContact CZ-CD1 3.58Å; F627-F640 HydrophobicContact CZ-CD2 4.09Å; F627-F640 HydrophobicContact CZ-CE1 4.34Å; F627-F640 AromaticContact CZ-CG 3.42Å; F627-F640 HydrophobicContact CZ-CG 3.42Å; F627-F640 VanDerWaalsContact CZ-CG 3.42Å; F627-F640 PolarHBondContact N-O 3.49Å; F627-F640 WeakPolarHBondContact O-CA 3.33Å; F627-F640 PolarHBondContact O-N 3.39Å; F627-F640 VanDerWaalsContact O-O 3.08Å; I629-F640 HydrophobicContact CB-CE2 4.3Å; I629-F640 HydrophobicContact CD1-CE2 3.52Å; I629-F640 HydrophobicContact CD1-CZ 3.7Å; I629-F640 HydrophobicContact CG1-CD2 4.5Å; I629-F640 HydrophobicContact CG1-CE2 3.71Å; I629-F640 HydrophobicContact CG1-CZ 4.4Å; L638-F640 HydrophobicContact CB-CE2 4Å; L638-F640 HydrophobicContact CD2-CE1 4.39Å; L638-F640 HydrophobicContact CD2-CE2 3.73Å; L638-F640 HydrophobicContact CD2-CZ 3.42Å; L638-F640 VanDerWaalsContact CD2-CZ 3.42Å; L638-F640 HydrophobicContact CG-CD2 4.39Å; L638-F640 HydrophobicContact CG-CE2 3.54Å; L638-F640 HydrophobicContact CG-CZ 3.71Å; L638-F640 VanDerWaalsContact O-CD2 3.3Å; L638-F640 WeakPolarHBondContact O-CD2 3.36Å; L638-F640 WeakPolarHBondContact O-CE2 3.41Å; F640-W651 HydrophobicContact CE1-CZ3 4.5Å
641I85.3Confident81Confident36 Ų3652.5 Ų52.519%0.18527%0.273CS..EExtended strand (participates in β ladder)trans-118.8114.9157.9-66.4172000105.8I552 M611 V622 L625I552-I641 HydrophobicContact CB-CD1 4.46Å; I552-I641 HydrophobicContact CD1-CD1 4.41Å; I552-I641 HydrophobicContact CD1-CG1 4.08Å; I552-I641 HydrophobicContact CG1-CD1 3.64Å; I552-I641 HydrophobicContact CG1-CG1 3.75Å; I552-I641 HydrophobicContact CG2-CD1 4.33Å; M611-I641 HydrophobicContact CE-CD1 4.37Å; V622-I641 HydrophobicContact CG1-CD1 3.77Å; V622-I641 HydrophobicContact CG1-CG1 4.36Å; L625-I641 HydrophobicContact CB-CG2 4.36Å
642A86.1Confident81.5Confident1 Ų151.3 Ų51.31%0.00827%0.27CS..  trans-63.7141179.100000110.9L625 F627 S644 D647 F648L625-A642 HydrophobicContact CB-CB 4.41Å; L625-A642 PolarHBondContact O-N 3.33Å; F627-A642 HydrophobicContact CE1-CB 4.13Å; A642-S644 WeakPolarHBondContact CB-O 3.49Å; A642-S644 PolarHBondContact O-N 3.49Å; A642-D647 HydrophobicContact CB-CB 4.46Å; A642-F648 HydrophobicContact CB-CB 3.55Å; A642-F648 HydrophobicContact CB-CD2 4.31Å; A642-F648 HydrophobicContact CB-CG 4.46Å
643P80.1Confident82.8Confident44 Ų4446.8 Ų46.829%0.28625%0.246SC..SBendtrans-67.3-27.5177.626.9-34.1000112.4T547 D647T547-P643 HydrophobicContact CG2-CG 4.04Å; P643-D647 HydrophobicContact CG-CB 3.97Å; P643-D647 WeakPolarHBondContact CG-OD2 3.36Å
644S82.3Confident84.4Confident33 Ų3343 Ų4323%0.23122%0.223CC..SBendtrans-142.2163.6175.480.70000111.6A642 T646 D647 F648A642-S644 WeakPolarHBondContact CB-O 3.49Å; A642-S644 PolarHBondContact O-N 3.49Å; S644-T646 PolarHBondContact O-N 3.36Å; S644-T646 PolarHBondContact OG-N 3.01Å; S644-D647 WeakPolarHBondContact CB-OD2 3.37Å; S644-D647 PolarHBondContact O-N 2.84Å; S644-D647 VanDerWaalsContact OG-CG 3.31Å; S644-D647 PolarHBondContact OG-N 3.17Å; S644-D647 PolarHBondContact OG-OD2 3.37Å; S644-F648 PolarHBondContact O-N 3.08Å
645R83.9Confident86.3Confident115 Ų11535.9 Ų35.943%0.43419%0.19SC..Hα-helixtrans-61.5-32.4172-177.358.2171.1-130.8-10.3112.5D624 L625 F648 C649D624-R645 PolarHBondContact O-NH1 3.03Å; L625-R645 HydrophobicContact CD2-CB 4.07Å; R645-F648 WeakPolarHBondContact O-CB 3.45Å; R645-C649 PolarHBondContact O-N 3Å; R645-C649 VanDerWaalsContact O-N 3.15Å; R645-C649 PolarHBondContact O-SG 2.76Å
646T85.9Confident88Confident84 Ų8427.6 Ų27.652%0.51515%0.153SC..Hα-helixtrans-64.5-50.2175.3-53.20000110.2S644 F648 C649 L650S644-T646 PolarHBondContact O-N 3.36Å; S644-T646 PolarHBondContact OG-N 3.01Å; T646-F648 VanDerWaalsContact C-N 3.3Å; T646-F648 PolarHBondContact O-N 3.49Å; T646-C649 WeakPolarHBondContact O-CB 3.42Å; T646-C649 PolarHBondContact O-N 3.25Å; T646-C649 VanDerWaalsContact O-N 3.08Å; T646-L650 HydrophobicContact CG2-CD1 4.12Å; T646-L650 HydrophobicContact CG2-CG 4.42Å; T646-L650 WeakPolarHBondContact O-CG 3.37Å; T646-L650 PolarHBondContact O-N 2.91Å
647D89Confident89.2Confident39 Ų3926.5 Ų26.521%0.20914%0.144CC..Hα-helixtrans-63.6-38.6179.5-62-54.9000111.5A642 P643 S644 C649 L650 W651A642-D647 HydrophobicContact CB-CB 4.46Å; P643-D647 HydrophobicContact CG-CB 3.97Å; P643-D647 WeakPolarHBondContact CG-OD2 3.36Å; S644-D647 WeakPolarHBondContact CB-OD2 3.37Å; S644-D647 PolarHBondContact O-N 2.84Å; S644-D647 VanDerWaalsContact OG-CG 3.31Å; S644-D647 PolarHBondContact OG-N 3.17Å; S644-D647 PolarHBondContact OG-OD2 3.37Å; D647-C649 VanDerWaalsContact C-N 3.29Å; D647-C649 PolarHBondContact O-N 3.12Å; D647-L650 PolarHBondContact O-N 3.38Å; D647-W651 WeakPolarHBondContact O-CB 3.24Å; D647-W651 VanDerWaalsContact O-CD1 3.26Å; D647-W651 PolarHBondContact O-N 3.41Å
648F91.8Very high89.7Confident28 Ų2827 Ų2712%0.12315%0.145CC..Hα-helixtrans-53.5-48.5171.9177.4-96.7000111.6T604 L625 F627 A642 S644 R645 T646 T652T604-F648 HydrophobicContact CG2-CE2 4.4Å; T604-F648 HydrophobicContact CG2-CZ 3.98Å; L625-F648 HydrophobicContact CD2-CB 4.12Å; L625-F648 WeakPolarHBondContact O-CD2 3.13Å; F627-F648 HydrophobicContact CB-CE2 4Å; F627-F648 AromaticContact CD1-CD2 3.78Å; F627-F648 HydrophobicContact CD1-CD2 3.78Å; F627-F648 HydrophobicContact CD1-CE2 4.05Å; F627-F648 HydrophobicContact CE1-CD2 4.48Å; F627-F648 HydrophobicContact CG-CE2 4.44Å; A642-F648 HydrophobicContact CB-CB 3.55Å; A642-F648 HydrophobicContact CB-CD2 4.31Å; A642-F648 HydrophobicContact CB-CG 4.46Å; S644-F648 PolarHBondContact O-N 3.08Å; R645-F648 WeakPolarHBondContact O-CB 3.45Å; T646-F648 VanDerWaalsContact C-N 3.3Å; T646-F648 PolarHBondContact O-N 3.49Å; F648-T652 HydrophobicContact CD1-CG2 4.49Å; F648-T652 HydrophobicContact CD2-CG2 4.19Å; F648-T652 HydrophobicContact CE1-CG2 4.2Å; F648-T652 HydrophobicContact CE2-CG2 3.89Å; F648-T652 HydrophobicContact CG-CG2 4.49Å; F648-T652 HydrophobicContact CZ-CG2 3.89Å; F648-T652 WeakPolarHBondContact O-CB 3.48Å; F648-T652 VanDerWaalsContact O-CG2 3.23Å; F648-T652 WeakPolarHBondContact O-CG2 3.27Å; F648-T652 PolarHBondContact O-N 3.35Å; F648-T652 PolarHBondContact O-OG1 3.12Å
649C91.9Very high89.8Confident8 Ų828.3 Ų28.35%0.05415%0.151CC..Hα-helixtrans-67.7-44.3-179.1-65.50000111.8R645 T646 D647 W651 T652 D653R645-C649 PolarHBondContact O-N 3Å; R645-C649 VanDerWaalsContact O-N 3.15Å; R645-C649 PolarHBondContact O-SG 2.76Å; T646-C649 WeakPolarHBondContact O-CB 3.42Å; T646-C649 PolarHBondContact O-N 3.25Å; T646-C649 VanDerWaalsContact O-N 3.08Å; D647-C649 VanDerWaalsContact C-N 3.29Å; D647-C649 PolarHBondContact O-N 3.12Å; C649-W651 PolarHBondContact O-N 3.3Å; C649-T652 PolarHBondContact O-OG1 3.02Å; C649-D653 VanDerWaalsContact O-CB 3.27Å; C649-D653 WeakPolarHBondContact O-CB 3.29Å; C649-D653 PolarHBondContact O-N 2.98Å
650L92.6Very high89.8Confident18 Ų1829.8 Ų29.89%0.09418%0.177CC..Hα-helixtrans-60.9-44.7178.7-68.1176.8000111.8T646 D647 G654T646-L650 HydrophobicContact CG2-CD1 4.12Å; T646-L650 HydrophobicContact CG2-CG 4.42Å; T646-L650 WeakPolarHBondContact O-CG 3.37Å; T646-L650 PolarHBondContact O-N 2.91Å; D647-L650 PolarHBondContact O-N 3.38Å; L650-G654 PolarHBondContact O-N 3.06Å
651W94.6Very high89.9Confident3 Ų335.4 Ų35.41%0.01120%0.199CC..Hα-helixtrans-70.5-47.8179.9-85.484.9000112.7L543 T547 F549 C564 L573 F627 F640 D647 C649 D653 G654 L655L543-W651 HydrophobicContact CD2-CD2 3.46Å; L543-W651 VanDerWaalsContact CD2-CD2 3.46Å; L543-W651 HydrophobicContact CD2-CE3 3.3Å; L543-W651 HydrophobicContact CD2-CG 4.1Å; L543-W651 HydrophobicContact CD2-CH2 3.99Å; L543-W651 HydrophobicContact CD2-CZ2 4.12Å; L543-W651 HydrophobicContact CD2-CZ3 3.6Å; T547-W651 PolarHBondContact OG1-NE1 3.37Å; F549-W651 HydrophobicContact CE2-CD2 4.29Å; F549-W651 AromaticContact CE2-CE2 3.77Å; F549-W651 HydrophobicContact CE2-CH2 4.08Å; F549-W651 AromaticContact CE2-CZ2 3.67Å; F549-W651 HydrophobicContact CE2-CZ2 3.67Å; F549-W651 AromaticContact CZ-CD1 3.84Å; F549-W651 AromaticContact CZ-CD2 3.62Å; F549-W651 HydrophobicContact CZ-CD2 3.62Å; F549-W651 AromaticContact CZ-CE2 3.41Å; F549-W651 VanDerWaalsContact CZ-CE2 3.41Å; F549-W651 HydrophobicContact CZ-CE3 4.17Å; F549-W651 AromaticContact CZ-CG 3.92Å; F549-W651 HydrophobicContact CZ-CG 3.92Å; F549-W651 HydrophobicContact CZ-CH2 4.36Å; F549-W651 AromaticContact CZ-CZ2 3.83Å; F549-W651 HydrophobicContact CZ-CZ2 3.83Å; F549-W651 AromaticContact CZ-NE1 3.54Å; C564-W651 HydrophobicContact CB-CH2 3.83Å; C564-W651 HydrophobicContact CB-CZ2 4.49Å; C564-W651 HydrophobicContact CB-CZ3 4.42Å; C564-W651 VanDerWaalsContact O-CH2 3.29Å; C564-W651 WeakPolarHBondContact O-CH2 3.37Å; C564-W651 VanDerWaalsContact O-CZ2 3.32Å; C564-W651 WeakPolarHBondContact O-CZ2 3.38Å; L573-W651 HydrophobicContact CD1-CH2 4.48Å; L573-W651 HydrophobicContact CD1-CZ3 4.15Å; F627-W651 HydrophobicContact CE1-CB 4.29Å; F627-W651 HydrophobicContact CE2-CB 4.17Å; F627-W651 HydrophobicContact CZ-CB 3.68Å; F627-W651 HydrophobicContact CZ-CD2 4.44Å; F627-W651 HydrophobicContact CZ-CE3 4.48Å; F627-W651 HydrophobicContact CZ-CG 4.1Å; F640-W651 HydrophobicContact CE1-CZ3 4.5Å; D647-W651 WeakPolarHBondContact O-CB 3.24Å; D647-W651 VanDerWaalsContact O-CD1 3.26Å; D647-W651 PolarHBondContact O-N 3.41Å; C649-W651 PolarHBondContact O-N 3.3Å; W651-D653 VanDerWaalsContact C-N 3.34Å; W651-D653 PolarHBondContact O-N 2.79Å; W651-G654 PolarHBondContact O-N 3.39Å; W651-L655 HydrophobicContact CE3-CD1 4.28Å; W651-L655 HydrophobicContact CE3-CG 4.48Å; W651-L655 VanDerWaalsContact O-CB 3.3Å; W651-L655 WeakPolarHBondContact O-CB 3.43Å; W651-L655 WeakPolarHBondContact O-CG 3.37Å; W651-L655 PolarHBondContact O-N 3.07Å
652T94.5Very high90Very high13 Ų1339.6 Ų39.68%0.0822%0.221CC..Hα-helixtrans-64.3-39.1-179.452.70000112.2L602 T604 F627 F648 C649 S656L602-T652 HydrophobicContact CD2-CG2 4.18Å; L602-T652 WeakPolarHBondContact CD2-O 3.3Å; T604-T652 HydrophobicContact CG2-CG2 4.09Å; F627-T652 HydrophobicContact CB-CG2 4.08Å; F627-T652 HydrophobicContact CD1-CG2 4.42Å; F627-T652 HydrophobicContact CD2-CG2 4.48Å; F627-T652 HydrophobicContact CG-CG2 4.09Å; F648-T652 HydrophobicContact CD1-CG2 4.49Å; F648-T652 HydrophobicContact CD2-CG2 4.19Å; F648-T652 HydrophobicContact CE1-CG2 4.2Å; F648-T652 HydrophobicContact CE2-CG2 3.89Å; F648-T652 HydrophobicContact CG-CG2 4.49Å; F648-T652 HydrophobicContact CZ-CG2 3.89Å; F648-T652 WeakPolarHBondContact O-CB 3.48Å; F648-T652 VanDerWaalsContact O-CG2 3.23Å; F648-T652 WeakPolarHBondContact O-CG2 3.27Å; F648-T652 PolarHBondContact O-N 3.35Å; F648-T652 PolarHBondContact O-OG1 3.12Å; C649-T652 PolarHBondContact O-OG1 3.02Å; T652-S656 WeakPolarHBondContact O-CB 3.43Å; T652-S656 PolarHBondContact O-N 3.38Å; T652-S656 PolarHBondContact O-OG 2.87Å
653D94.8Very high90.3Very high1 Ų140.2 Ų40.21%0.00522%0.224CC..Hα-helixtrans-67.1-48.2173.1-77.6-20.8000111.6R539 C649 W651 L655 S656 V657 M663 S664 S665 M668R539-D653 HydrophobicContact CG-CB 4.19Å; R539-D653 IonicContact NE-OD2 2.72Å; R539-D653 PolarHBondContact NE-OD2 2.92Å; R539-D653 IonicContact NH2-OD2 3.42Å; C649-D653 VanDerWaalsContact O-CB 3.27Å; C649-D653 WeakPolarHBondContact O-CB 3.29Å; C649-D653 PolarHBondContact O-N 2.98Å; W651-D653 VanDerWaalsContact C-N 3.34Å; W651-D653 PolarHBondContact O-N 2.79Å; D653-L655 VanDerWaalsContact C-N 3.32Å; D653-L655 PolarHBondContact O-N 3.44Å; D653-S656 WeakPolarHBondContact O-CA 3.47Å; D653-S656 WeakPolarHBondContact O-CB 3.41Å; D653-S656 PolarHBondContact O-N 2.92Å; D653-S656 VanDerWaalsContact O-N 3.1Å; D653-V657 WeakPolarHBondContact O-CG2 3.46Å; D653-V657 PolarHBondContact O-N 3.21Å; D653-M663 HydrophobicContact CB-CB 4.11Å; D653-M663 HydrophobicContact CB-CG 3.79Å; D653-M663 HydrophobicContact CB-SD 4.09Å; D653-M663 WeakPolarHBondContact OD1-CB 3.31Å; D653-S664 PolarHBondContact OD1-N 2.86Å; D653-S664 VanDerWaalsContact OD1-N 3.09Å; D653-S665 VanDerWaalsContact CG-OG 3.28Å; D653-S665 VanDerWaalsContact OD1-CB 3.31Å; D653-S665 WeakPolarHBondContact OD1-CB 3.36Å; D653-S665 PolarHBondContact OD1-N 2.98Å; D653-S665 PolarHBondContact OD1-OG 3.18Å; D653-S665 WeakPolarHBondContact OD2-CB 3.45Å; D653-S665 PolarHBondContact OD2-OG 3.32Å; D653-M668 VanDerWaalsContact OD2-CB 3.28Å; D653-M668 WeakPolarHBondContact OD2-CB 3.39Å
654G94.5Very high90.6Very high0 Ų042 Ų420%024%0.237CC..Hα-helixtrans-59.7-42.1179.500000112.5L543 L650 W651 S656 V657 L658L543-G654 VanDerWaalsContact CD1-C 3.42Å; L650-G654 PolarHBondContact O-N 3.06Å; W651-G654 PolarHBondContact O-N 3.39Å; G654-S656 VanDerWaalsContact C-N 3.34Å; G654-V657 WeakPolarHBondContact O-CB 3.43Å; G654-V657 PolarHBondContact O-N 3.25Å; G654-L658 WeakPolarHBondContact O-CG 3.47Å; G654-L658 PolarHBondContact O-N 3.2Å
655L93.9Very high90.8Very high4 Ų440.9 Ų40.92%0.02123%0.23CC..Hα-helixtrans-66.4-37.6175.1-70.1168.8000111.4L602 F627 I629 W651 D653 V657 L658 L659L602-L655 HydrophobicContact CD1-CD1 3.92Å; L602-L655 HydrophobicContact CD2-CB 4.21Å; F627-L655 HydrophobicContact CD2-CD1 4.12Å; F627-L655 HydrophobicContact CE2-CD1 3.77Å; I629-L655 HydrophobicContact CD1-CD1 3.71Å; I629-L655 HydrophobicContact CD1-CD2 3.62Å; I629-L655 HydrophobicContact CD1-CG 4.34Å; I629-L655 HydrophobicContact CG1-CD1 3.89Å; I629-L655 HydrophobicContact CG1-CD2 4.38Å; W651-L655 HydrophobicContact CE3-CD1 4.28Å; W651-L655 HydrophobicContact CE3-CG 4.48Å; W651-L655 VanDerWaalsContact O-CB 3.3Å; W651-L655 WeakPolarHBondContact O-CB 3.43Å; W651-L655 WeakPolarHBondContact O-CG 3.37Å; W651-L655 PolarHBondContact O-N 3.07Å; D653-L655 VanDerWaalsContact C-N 3.32Å; D653-L655 PolarHBondContact O-N 3.44Å; L655-V657 VanDerWaalsContact C-N 3.34Å; L655-L658 HydrophobicContact CD2-CD1 4.3Å; L655-L658 PolarHBondContact O-N 3.1Å; L655-L659 WeakPolarHBondContact O-CB 3.35Å; L655-L659 VanDerWaalsContact O-CG 3.31Å; L655-L659 WeakPolarHBondContact O-CG 3.14Å; L655-L659 PolarHBondContact O-N 2.84Å
656S93Very high90.8Very high14 Ų1441.8 Ų41.810%0.09824%0.239CC..Hα-helixtrans-62.2-42.2173.4-62.10000111.4T652 D653 G654 L659 G660 R661T652-S656 WeakPolarHBondContact O-CB 3.43Å; T652-S656 PolarHBondContact O-N 3.38Å; T652-S656 PolarHBondContact O-OG 2.87Å; D653-S656 WeakPolarHBondContact O-CA 3.47Å; D653-S656 WeakPolarHBondContact O-CB 3.41Å; D653-S656 PolarHBondContact O-N 2.92Å; D653-S656 VanDerWaalsContact O-N 3.1Å; G654-S656 VanDerWaalsContact C-N 3.34Å; S656-L659 CarbonylContact O-C 3.55Å; S656-L659 PolarHBondContact O-N 3.42Å; S656-L659 VanDerWaalsContact O-N 3.17Å; S656-G660 PolarHBondContact O-N 3.2Å; S656-R661 CarbonylContact C-O 3.52Å; S656-R661 WeakPolarHBondContact O-CA 3.24Å; S656-R661 WeakPolarHBondContact O-CB 3.34Å; S656-R661 PolarHBondContact O-N 3.26Å
657V93.2Very high90.8Very high24 Ų2438.8 Ų38.815%0.14522%0.222CC..Hα-helixtrans-61.8-44.8175.1174.10000111.4R536 L540 D653 G654 L655 L659 G660 M663R536-V657 HydrophobicContact CB-CG1 4.21Å; R536-V657 HydrophobicContact CB-CG2 4.43Å; R536-V657 HydrophobicContact CG-CG1 4.19Å; R536-V657 HydrophobicContact CG-CG2 3.86Å; L540-V657 HydrophobicContact CD1-CG1 4.25Å; L540-V657 HydrophobicContact CD2-CG1 4.15Å; L540-V657 HydrophobicContact CG-CG1 4.16Å; D653-V657 WeakPolarHBondContact O-CG2 3.46Å; D653-V657 PolarHBondContact O-N 3.21Å; G654-V657 WeakPolarHBondContact O-CB 3.43Å; G654-V657 PolarHBondContact O-N 3.25Å; L655-V657 VanDerWaalsContact C-N 3.34Å; V657-L659 PolarHBondContact O-N 3.07Å; V657-G660 PolarHBondContact O-N 3.11Å; V657-M663 HydrophobicContact CG2-CG 3.46Å; V657-M663 VanDerWaalsContact CG2-CG 3.46Å; V657-M663 HydrophobicContact CG2-SD 3.64Å
658L91.4Very high90.9Very high37 Ų3737.7 Ų37.719%0.19422%0.215CC..Hα-helixtrans-59.8-34175.4-72.7173.8000112.7L540 L543 L566 H570 V596 G654 L655 G660L540-L658 HydrophobicContact CD2-CD2 3.48Å; L540-L658 VanDerWaalsContact CD2-CD2 3.48Å; L540-L658 HydrophobicContact CD2-CG 3.83Å; L543-L658 HydrophobicContact CD1-CD1 3.54Å; L543-L658 HydrophobicContact CD1-CG 4.19Å; L566-L658 HydrophobicContact CD1-CD1 3.87Å; L566-L658 HydrophobicContact CD1-CD2 4.43Å; L566-L658 HydrophobicContact CD2-CD1 3.95Å; L566-L658 HydrophobicContact CD2-CD2 3.87Å; L566-L658 HydrophobicContact CD2-CG 4.42Å; H570-L658 HydrophobicContact CB-CD2 3.97Å; V596-L658 HydrophobicContact CG1-CB 4.18Å; V596-L658 HydrophobicContact CG1-CD2 4.5Å; G654-L658 WeakPolarHBondContact O-CG 3.47Å; G654-L658 PolarHBondContact O-N 3.2Å; L655-L658 HydrophobicContact CD2-CD1 4.3Å; L655-L658 PolarHBondContact O-N 3.1Å; L658-G660 VanDerWaalsContact C-N 3.25Å; L658-G660 PolarHBondContact O-N 3.16Å
659L89.4Confident90.8Very high47 Ų4743.8 Ų43.825%0.24624%0.238CC..THydrogen-bonded Turntrans-82.84.4176.6-68.9177.5000113.9I599 L602 L655 S656 V657 R661I599-L659 HydrophobicContact CB-CD2 4.05Å; I599-L659 HydrophobicContact CG2-CD1 4.25Å; I599-L659 HydrophobicContact CG2-CD2 3.83Å; I599-L659 HydrophobicContact CG2-CG 4.48Å; L602-L659 HydrophobicContact CB-CD1 4.44Å; L655-L659 WeakPolarHBondContact O-CB 3.35Å; L655-L659 VanDerWaalsContact O-CG 3.31Å; L655-L659 WeakPolarHBondContact O-CG 3.14Å; L655-L659 PolarHBondContact O-N 2.84Å; S656-L659 CarbonylContact O-C 3.55Å; S656-L659 PolarHBondContact O-N 3.42Å; S656-L659 VanDerWaalsContact O-N 3.17Å; V657-L659 PolarHBondContact O-N 3.07Å; L659-R661 HydrophobicContact CB-CG 4.15Å; L659-R661 PolarHBondContact O-N 2.91Å
660G88.3Confident90.5Very high76 Ų7646.3 Ų46.378%0.78426%0.255SS*.THydrogen-bonded Turntrans67.421.8-177.400000113.9S656 V657 L658S656-G660 PolarHBondContact O-N 3.2Å; V657-G660 PolarHBondContact O-N 3.11Å; L658-G660 VanDerWaalsContact C-N 3.25Å; L658-G660 PolarHBondContact O-N 3.16Å
661R90.4Very high90.3Very high119 Ų11948 Ų4845%0.44926%0.262SS..PPolyproline II helixtrans-97.2159.9176.2-57.2-179.5-174.4-174.91.4110.2K600 S656 L659K600-R661 PolarHBondContact O-NH2 3.35Å; S656-R661 CarbonylContact C-O 3.52Å; S656-R661 WeakPolarHBondContact O-CA 3.24Å; S656-R661 WeakPolarHBondContact O-CB 3.34Å; S656-R661 PolarHBondContact O-N 3.26Å; L659-R661 HydrophobicContact CB-CG 4.15Å; L659-R661 PolarHBondContact O-N 2.91Å
662D88.1Confident90.2Very high124 Ų12448.7 Ų48.766%0.66327%0.266SS*.PPolyproline II helixtrans-73.8145172.9-71.6-45000111.6R536R536-D662 IonicContact NH2-OD1 3.73Å; R536-D662 PolarHBondContact NH2-OD1 2.93Å
663M91.7Very high89.9Confident14 Ų1454.9 Ų54.97%0.06929%0.294CS..PPolyproline II helixtrans-69.7143.1171.1-63.4178.7-6700109.1L532 I535 R536 R539 D653 V657 M668L532-M663 HydrophobicContact CD2-CE 4.17Å; I535-M663 HydrophobicContact CB-CE 4.18Å; I535-M663 HydrophobicContact CG2-CE 3.83Å; I535-M663 HydrophobicContact CG2-SD 3.98Å; R536-M663 HydrophobicContact CG-CE 3.54Å; R536-M663 HydrophobicContact CG-SD 4.2Å; R539-M663 HydrophobicContact CG-SD 3.84Å; D653-M663 HydrophobicContact CB-CB 4.11Å; D653-M663 HydrophobicContact CB-CG 3.79Å; D653-M663 HydrophobicContact CB-SD 4.09Å; D653-M663 WeakPolarHBondContact OD1-CB 3.31Å; V657-M663 HydrophobicContact CG2-CG 3.46Å; V657-M663 VanDerWaalsContact CG2-CG 3.46Å; V657-M663 HydrophobicContact CG2-SD 3.64Å; M663-M668 HydrophobicContact CB-CB 4.28Å; M663-M668 HydrophobicContact CB-CE 3.96Å; M663-M668 HydrophobicContact CB-CG 3.84Å; M663-M668 HydrophobicContact CE-CG 3.92Å; M663-M668 WeakPolarHBondContact O-CE 3.47Å; M663-M668 HydrophobicContact SD-CG 4.21Å
664S86.9Confident89.5Confident80 Ų8059.1 Ų59.156%0.55932%0.316SS*.  trans-136.1-1.6-176.5640000114.2D653 R669D653-S664 PolarHBondContact OD1-N 2.86Å; D653-S664 VanDerWaalsContact OD1-N 3.09Å; S664-R669 PolarHBondContact O-NH2 3.45Å
665S87.9Confident89.4Confident11 Ų1161.6 Ų61.68%0.07733%0.329CS..  trans-66.3157.5-17786.60000112.9D653 S667 M668 R669D653-S665 VanDerWaalsContact CG-OG 3.28Å; D653-S665 VanDerWaalsContact OD1-CB 3.31Å; D653-S665 WeakPolarHBondContact OD1-CB 3.36Å; D653-S665 PolarHBondContact OD1-N 2.98Å; D653-S665 PolarHBondContact OD1-OG 3.18Å; D653-S665 WeakPolarHBondContact OD2-CB 3.45Å; D653-S665 PolarHBondContact OD2-OG 3.32Å; S665-S667 VanDerWaalsContact C-N 3.29Å; S665-S667 PolarHBondContact OG-N 3.45Å; S665-M668 PolarHBondContact O-N 3.43Å; S665-M668 PolarHBondContact OG-N 2.68Å; S665-R669 WeakPolarHBondContact O-CG 3.37Å; S665-R669 PolarHBondContact O-N 2.98Å
666E83.2Confident89.1Confident134 Ų13462.4 Ų62.463%0.62633%0.333SS*.Hα-helixtrans-63.6-36.1172.3-173.9177.2-174.800111.9R669 S670E666-R669 PolarHBondContact O-N 3.07Å; E666-S670 WeakPolarHBondContact O-CB 3.11Å; E666-S670 PolarHBondContact O-N 3.33Å
667S85.8Confident88.7Confident21 Ų2163.1 Ų63.115%0.14734%0.338CS..Hα-helixtrans-62.9-43.4176.3164.90000111.8R539 S665 R669 S670 E671R539-S667 PolarHBondContact NH2-OG 3.29Å; S665-S667 VanDerWaalsContact C-N 3.29Å; S665-S667 PolarHBondContact OG-N 3.45Å; S667-R669 PolarHBondContact O-N 2.99Å; S667-S670 PolarHBondContact O-N 3.14Å; S667-E671 WeakPolarHBondContact O-CB 3.48Å; S667-E671 WeakPolarHBondContact O-CG 3.35Å; S667-E671 PolarHBondContact O-N 2.94Å; S667-E671 PolarHBondContact OG-OE1 3.26Å
668M91.2Very high88.4Confident16 Ų1667.1 Ų67.18%0.07936%0.357CS..Hα-helixtrans-61.1-44.6174.8175.4-78.9-69.500111.6L532 I535 D653 M663 S665 S670 E671 L672L532-M668 HydrophobicContact CD2-SD 3.88Å; I535-M668 HydrophobicContact CG2-CG 4.15Å; D653-M668 VanDerWaalsContact OD2-CB 3.28Å; D653-M668 WeakPolarHBondContact OD2-CB 3.39Å; M663-M668 HydrophobicContact CB-CB 4.28Å; M663-M668 HydrophobicContact CB-CE 3.96Å; M663-M668 HydrophobicContact CB-CG 3.84Å; M663-M668 HydrophobicContact CE-CG 3.92Å; M663-M668 WeakPolarHBondContact O-CE 3.47Å; M663-M668 HydrophobicContact SD-CG 4.21Å; S665-M668 PolarHBondContact O-N 3.43Å; S665-M668 PolarHBondContact OG-N 2.68Å; M668-S670 VanDerWaalsContact C-N 3.34Å; M668-S670 PolarHBondContact O-N 3.31Å; M668-E671 PolarHBondContact O-N 3.36Å; M668-L672 WeakPolarHBondContact O-CB 3.43Å; M668-L672 PolarHBondContact O-N 3.42Å; M668-L672 HydrophobicContact SD-CB 4.35Å; M668-L672 HydrophobicContact SD-CD2 4.28Å
669R88.6Confident88.3Confident156 Ų15667.6 Ų67.659%0.58936%0.358SS*.Hα-helixtrans-61.4-45.1179.4-67.2176-171156.35.1111.4S664 S665 E666 S667 L672 E673S664-R669 PolarHBondContact O-NH2 3.45Å; S665-R669 WeakPolarHBondContact O-CG 3.37Å; S665-R669 PolarHBondContact O-N 2.98Å; E666-R669 PolarHBondContact O-N 3.07Å; S667-R669 PolarHBondContact O-N 2.99Å; R669-L672 PolarHBondContact O-N 3.08Å; R669-E673 WeakPolarHBondContact O-CB 3.45Å; R669-E673 PolarHBondContact O-N 3.26Å
670S86.4Confident88.2Confident60 Ų6065.4 Ų65.442%0.4235%0.346SS..Hα-helixtrans-63.2-47.8177.4-178.60000112E666 S667 M668 L672 E673 I674E666-S670 WeakPolarHBondContact O-CB 3.11Å; E666-S670 PolarHBondContact O-N 3.33Å; S667-S670 PolarHBondContact O-N 3.14Å; M668-S670 VanDerWaalsContact C-N 3.34Å; M668-S670 PolarHBondContact O-N 3.31Å; S670-L672 PolarHBondContact O-N 3.37Å; S670-E673 PolarHBondContact O-N 3.1Å; S670-I674 VanDerWaalsContact O-CG1 3.27Å; S670-I674 WeakPolarHBondContact O-CG1 3.46Å; S670-I674 PolarHBondContact O-N 2.86Å
671E89Confident88.1Confident53 Ų5366.5 Ų66.525%0.24833%0.33CS..Hα-helixtrans-63.3-41.7177.1-75.4175.6-168.900112.4I535 R539 S667 M668 E673 I674 L675I535-E671 HydrophobicContact CD1-CB 4.22Å; R539-E671 IonicContact CZ-OE2 2.8Å; R539-E671 IonicContact NH1-OE1 2.64Å; R539-E671 IonicContact NH1-OE2 2.67Å; R539-E671 PolarHBondContact NH1-OE2 3.48Å; R539-E671 VanDerWaalsContact NH2-CD 3.33Å; R539-E671 IonicContact NH2-OE1 3.48Å; R539-E671 IonicContact NH2-OE2 2.97Å; R539-E671 PolarHBondContact NH2-OE2 2.9Å; S667-E671 WeakPolarHBondContact O-CB 3.48Å; S667-E671 WeakPolarHBondContact O-CG 3.35Å; S667-E671 PolarHBondContact O-N 2.94Å; S667-E671 PolarHBondContact OG-OE1 3.26Å; M668-E671 PolarHBondContact O-N 3.36Å; E671-E673 VanDerWaalsContact C-N 3.31Å; E671-E673 PolarHBondContact O-N 2.74Å; E671-I674 PolarHBondContact O-N 2.86Å; E671-L675 WeakPolarHBondContact O-CB 3.36Å; E671-L675 VanDerWaalsContact O-CG 3.31Å; E671-L675 WeakPolarHBondContact O-CG 3.1Å; E671-L675 PolarHBondContact O-N 3.38Å
672L91.6Very high87.9Confident18 Ų1865.4 Ų65.49%0.09433%0.332CS..Hα-helixtrans-61.4-42.4175.518063.4000111K528 L531 L532 I535 M668 R669 S670 L676K528-L672 HydrophobicContact CG-CD1 4.47Å; K528-L672 HydrophobicContact CG-CD2 4.28Å; L531-L672 HydrophobicContact CB-CD1 4Å; L532-L672 HydrophobicContact CD2-CD1 4.13Å; L532-L672 HydrophobicContact CD2-CD2 3.8Å; L532-L672 HydrophobicContact CD2-CG 4.47Å; L532-L672 HydrophobicContact CG-CD1 3.96Å; L532-L672 HydrophobicContact CG-CD2 4.11Å; I535-L672 HydrophobicContact CD1-CB 3.73Å; I535-L672 HydrophobicContact CD1-CD1 4.15Å; M668-L672 WeakPolarHBondContact O-CB 3.43Å; M668-L672 PolarHBondContact O-N 3.42Å; M668-L672 HydrophobicContact SD-CB 4.35Å; M668-L672 HydrophobicContact SD-CD2 4.28Å; R669-L672 PolarHBondContact O-N 3.08Å; S670-L672 PolarHBondContact O-N 3.37Å; L672-L676 HydrophobicContact CD1-CD1 4Å; L672-L676 HydrophobicContact CD1-CG 4.19Å; L672-L676 HydrophobicContact CD2-CD1 4.49Å; L672-L676 HydrophobicContact CG-CD1 3.8Å; L672-L676 HydrophobicContact CG-CG 4.42Å; L672-L676 WeakPolarHBondContact O-CB 3.4Å; L672-L676 WeakPolarHBondContact O-CD1 3.13Å; L672-L676 VanDerWaalsContact O-CG 3.23Å; L672-L676 WeakPolarHBondContact O-CG 3.36Å; L672-L676 PolarHBondContact O-N 2.82Å
673E87.7Confident87.8Confident143 Ų14365.2 Ų65.267%0.66832%0.322SS*.Hα-helixtrans-64.8-42176.6-174.2172.6-170.400111.9R669 S670 E671 S677R669-E673 WeakPolarHBondContact O-CB 3.45Å; R669-E673 PolarHBondContact O-N 3.26Å; S670-E673 PolarHBondContact O-N 3.1Å; E671-E673 VanDerWaalsContact C-N 3.31Å; E671-E673 PolarHBondContact O-N 2.74Å; E673-S677 WeakPolarHBondContact O-CB 3.18Å; E673-S677 PolarHBondContact O-N 3.43Å
674I87.3Confident87.4Confident91 Ų9166 Ų6647%0.46733%0.327SS..Hα-helixtrans-62.5-50.5175.8-68.6163.3000110.5S670 E671 S677 M678S670-I674 VanDerWaalsContact O-CG1 3.27Å; S670-I674 WeakPolarHBondContact O-CG1 3.46Å; S670-I674 PolarHBondContact O-N 2.86Å; E671-I674 PolarHBondContact O-N 2.86Å; I674-S677 PolarHBondContact O-N 2.68Å; I674-M678 HydrophobicContact CG2-CG 4.5Å; I674-M678 HydrophobicContact CG2-SD 4.06Å; I674-M678 WeakPolarHBondContact O-CB 3.12Å; I674-M678 WeakPolarHBondContact O-CG 3.48Å; I674-M678 PolarHBondContact O-N 3.41Å
675L91.3Very high87.3Confident51 Ų5166.9 Ų66.927%0.26733%0.325SS..Hα-helixtrans-63.7-43-179.9-71.5176000111.5L531 L534 I535 E671 M678 E679L531-L675 HydrophobicContact CD1-CB 4.15Å; L531-L675 HydrophobicContact CD2-CB 4.3Å; L534-L675 HydrophobicContact CD2-CD1 4.26Å; I535-L675 HydrophobicContact CD1-CD1 4.08Å; I535-L675 HydrophobicContact CG1-CD1 3.76Å; E671-L675 WeakPolarHBondContact O-CB 3.36Å; E671-L675 VanDerWaalsContact O-CG 3.31Å; E671-L675 WeakPolarHBondContact O-CG 3.1Å; E671-L675 PolarHBondContact O-N 3.38Å; L675-M678 PolarHBondContact O-N 2.96Å; L675-E679 VanDerWaalsContact O-CB 3.31Å; L675-E679 WeakPolarHBondContact O-CB 3.5Å; L675-E679 PolarHBondContact O-N 3.28Å
676L88.5Confident86.7Confident21 Ų2173.5 Ų73.511%0.1136%0.359CS..Hα-helixtrans-60.1-48.1173.7-80.5166.9000110.6K524 L527 K528 L531 L672 M678 E679 I680K524-L676 HydrophobicContact CG-CD2 4.48Å; L527-L676 HydrophobicContact CB-CD2 4.15Å; K528-L676 HydrophobicContact CB-CD2 4.48Å; L531-L676 HydrophobicContact CD1-CB 4.32Å; L531-L676 HydrophobicContact CD1-CD2 3.59Å; L531-L676 HydrophobicContact CD1-CG 3.73Å; L672-L676 HydrophobicContact CD1-CD1 4Å; L672-L676 HydrophobicContact CD1-CG 4.19Å; L672-L676 HydrophobicContact CD2-CD1 4.49Å; L672-L676 HydrophobicContact CG-CD1 3.8Å; L672-L676 HydrophobicContact CG-CG 4.42Å; L672-L676 WeakPolarHBondContact O-CB 3.4Å; L672-L676 WeakPolarHBondContact O-CD1 3.13Å; L672-L676 VanDerWaalsContact O-CG 3.23Å; L672-L676 WeakPolarHBondContact O-CG 3.36Å; L672-L676 PolarHBondContact O-N 2.82Å; L676-M678 VanDerWaalsContact C-N 3.33Å; L676-M678 PolarHBondContact O-N 3Å; L676-E679 PolarHBondContact O-N 3.15Å; L676-I680 HydrophobicContact CB-CD1 4.43Å; L676-I680 VanDerWaalsContact O-CB 3.28Å; L676-I680 WeakPolarHBondContact O-CB 3.29Å; L676-I680 WeakPolarHBondContact O-CD1 3.47Å; L676-I680 WeakPolarHBondContact O-CG1 3.19Å; L676-I680 PolarHBondContact O-N 3.5Å
677S85.6Confident86.4Confident29 Ų2971.1 Ų71.120%0.20335%0.35CS..Hα-helixtrans-58.5-45178.2-178.30000111.6E673 I674 K681E673-S677 WeakPolarHBondContact O-CB 3.18Å; E673-S677 PolarHBondContact O-N 3.43Å; I674-S677 PolarHBondContact O-N 2.68Å; S677-K681 WeakPolarHBondContact O-CB 3.18Å; S677-K681 WeakPolarHBondContact O-CG 3.45Å; S677-K681 PolarHBondContact O-N 3.33Å
678M86.8Confident85.8Confident109 Ų10976.7 Ų76.754%0.53737%0.374SS..Hα-helixtrans-66.2-49.6178.3-74.4-177.963.900112.3I674 L675 L676 I680 K681 L682I674-M678 HydrophobicContact CG2-CG 4.5Å; I674-M678 HydrophobicContact CG2-SD 4.06Å; I674-M678 WeakPolarHBondContact O-CB 3.12Å; I674-M678 WeakPolarHBondContact O-CG 3.48Å; I674-M678 PolarHBondContact O-N 3.41Å; L675-M678 PolarHBondContact O-N 2.96Å; L676-M678 VanDerWaalsContact C-N 3.33Å; L676-M678 PolarHBondContact O-N 3Å; M678-I680 VanDerWaalsContact C-N 3.32Å; M678-I680 PolarHBondContact O-N 2.95Å; M678-K681 WeakPolarHBondContact O-CB 3.22Å; M678-K681 PolarHBondContact O-N 2.98Å; M678-L682 WeakPolarHBondContact O-CG 3.45Å; M678-L682 PolarHBondContact O-N 3.39Å
679E89.5Confident84.9Confident46 Ų4683.6 Ų83.622%0.21541%0.411CS..Hα-helixtrans-62.5-41.7-179.3-175.360.9-157.600110.8L527 L531 L675 L676 L682 R683L527-E679 HydrophobicContact CD1-CB 4.44Å; L527-E679 HydrophobicContact CD1-CG 3.73Å; L527-E679 HydrophobicContact CD2-CG 4.23Å; L531-E679 HydrophobicContact CD1-CB 4.33Å; L675-E679 VanDerWaalsContact O-CB 3.31Å; L675-E679 WeakPolarHBondContact O-CB 3.5Å; L675-E679 PolarHBondContact O-N 3.28Å; L676-E679 PolarHBondContact O-N 3.15Å; E679-L682 WeakPolarHBondContact O-CB 3.42Å; E679-L682 PolarHBondContact O-N 2.67Å; E679-R683 WeakPolarHBondContact O-CG 3.28Å; E679-R683 PolarHBondContact O-N 3.14Å; E679-R683 IonicContact OE1-CZ 2.88Å; E679-R683 VanDerWaalsContact OE1-CZ 3.24Å; E679-R683 IonicContact OE1-NE 3.92Å; E679-R683 PolarHBondContact OE1-NE 2.93Å; E679-R683 IonicContact OE1-NH2 3.31Å; E679-R683 PolarHBondContact OE1-NH2 3.21Å
680I87.3Confident84.5Confident1 Ų180.1 Ų80.11%0.00541%0.407CS..Hα-helixtrans-62.5-47.1174.8-67.9159.8000110.8V520 K524 L527 L676 M678 L682 R683 L684V520-I680 HydrophobicContact CG1-CD1 4.4Å; V520-I680 HydrophobicContact CG1-CG2 3.65Å; K524-I680 HydrophobicContact CB-CD1 4.49Å; K524-I680 HydrophobicContact CD-CD1 3.78Å; K524-I680 HydrophobicContact CG-CD1 3.17Å; K524-I680 HydrophobicContact CG-CG1 4.22Å; L527-I680 HydrophobicContact CD1-CG1 4.41Å; L676-I680 HydrophobicContact CB-CD1 4.43Å; L676-I680 VanDerWaalsContact O-CB 3.28Å; L676-I680 WeakPolarHBondContact O-CB 3.29Å; L676-I680 WeakPolarHBondContact O-CD1 3.47Å; L676-I680 WeakPolarHBondContact O-CG1 3.19Å; L676-I680 PolarHBondContact O-N 3.5Å; M678-I680 VanDerWaalsContact C-N 3.32Å; M678-I680 PolarHBondContact O-N 2.95Å; I680-L682 VanDerWaalsContact C-N 3.25Å; I680-L682 PolarHBondContact O-N 3.3Å; I680-R683 PolarHBondContact O-N 3.44Å; I680-R683 VanDerWaalsContact O-N 3.12Å; I680-L684 HydrophobicContact CG2-CD1 3.6Å; I680-L684 HydrophobicContact CG2-CG 4.03Å; I680-L684 WeakPolarHBondContact O-CB 3.35Å; I680-L684 VanDerWaalsContact O-CG 3.26Å; I680-L684 WeakPolarHBondContact O-CG 3.47Å; I680-L684 PolarHBondContact O-N 3.23Å
681K84.6Confident84Confident99 Ų9982.6 Ų82.643%0.4342%0.422SS..Hα-helixtrans-54.3-46.5176-79.3170.7-176.1173.60110.5H511 S677 M678 R683 L684 L685H511-K681 WeakPolarHBondContact CE1-CE 3.26Å; H511-K681 WeakPolarHBondContact NE2-CE 3.21Å; H511-K681 PolarHBondContact NE2-NZ 2.86Å; S677-K681 WeakPolarHBondContact O-CB 3.18Å; S677-K681 WeakPolarHBondContact O-CG 3.45Å; S677-K681 PolarHBondContact O-N 3.33Å; M678-K681 WeakPolarHBondContact O-CB 3.22Å; M678-K681 PolarHBondContact O-N 2.98Å; K681-R683 PolarHBondContact O-N 2.76Å; K681-L684 CarbonylContact O-C 3.6Å; K681-L684 PolarHBondContact O-N 3.23Å; K681-L684 VanDerWaalsContact O-N 3.14Å; K681-L685 WeakPolarHBondContact O-CG 3.28Å; K681-L685 PolarHBondContact O-N 2.8Å
682L86.6Confident83.5Confident97 Ų9782.7 Ų82.751%0.50842%0.423SS..Hα-helixtrans-58.9-44.9177.1-69.9173.4000112.3M678 E679 I680 L684 L685M678-L682 WeakPolarHBondContact O-CG 3.45Å; M678-L682 PolarHBondContact O-N 3.39Å; E679-L682 WeakPolarHBondContact O-CB 3.42Å; E679-L682 PolarHBondContact O-N 2.67Å; I680-L682 VanDerWaalsContact C-N 3.25Å; I680-L682 PolarHBondContact O-N 3.3Å; L682-L684 VanDerWaalsContact C-N 3.29Å; L682-L684 PolarHBondContact O-N 2.89Å; L682-L685 HydrophobicContact CD2-CD1 3.88Å; L682-L685 WeakPolarHBondContact O-CB 3.09Å; L682-L685 PolarHBondContact O-N 3.05Å
683R85.9Confident82.9Confident119 Ų11985 Ų8545%0.44944%0.44SS..Hα-helixtrans-68-27.7176.5-60.8-54.1177103.76.9113.4L523 E679 I680 K681L523-R683 HydrophobicContact CD2-CB 4.19Å; L523-R683 HydrophobicContact CD2-CG 4.39Å; E679-R683 WeakPolarHBondContact O-CG 3.28Å; E679-R683 PolarHBondContact O-N 3.14Å; E679-R683 IonicContact OE1-CZ 2.88Å; E679-R683 VanDerWaalsContact OE1-CZ 3.24Å; E679-R683 IonicContact OE1-NE 3.92Å; E679-R683 PolarHBondContact OE1-NE 2.93Å; E679-R683 IonicContact OE1-NH2 3.31Å; E679-R683 PolarHBondContact OE1-NH2 3.21Å; I680-R683 PolarHBondContact O-N 3.44Å; I680-R683 VanDerWaalsContact O-N 3.12Å; K681-R683 PolarHBondContact O-N 2.76Å
684L84.1Confident82.4Confident32 Ų3284.6 Ų84.617%0.16844%0.442CS..Hα-helixtrans-85.5-12.6178.1-66.5-179.1000113.1V520 I680 K681 L682 D686 L687 E688 I692V520-L684 HydrophobicContact CG2-CD1 4.41Å; V520-L684 HydrophobicContact CG2-CD2 4.4Å; I680-L684 HydrophobicContact CG2-CD1 3.6Å; I680-L684 HydrophobicContact CG2-CG 4.03Å; I680-L684 WeakPolarHBondContact O-CB 3.35Å; I680-L684 VanDerWaalsContact O-CG 3.26Å; I680-L684 WeakPolarHBondContact O-CG 3.47Å; I680-L684 PolarHBondContact O-N 3.23Å; K681-L684 CarbonylContact O-C 3.6Å; K681-L684 PolarHBondContact O-N 3.23Å; K681-L684 VanDerWaalsContact O-N 3.14Å; L682-L684 VanDerWaalsContact C-N 3.29Å; L682-L684 PolarHBondContact O-N 2.89Å; L684-D686 VanDerWaalsContact C-N 3.25Å; L684-D686 PolarHBondContact O-N 3.48Å; L684-L687 HydrophobicContact CD2-CD1 4.31Å; L684-L687 CarbonylContact O-C 3.5Å; L684-L687 VanDerWaalsContact O-C 3.32Å; L684-L687 WeakPolarHBondContact O-CA 3.5Å; L684-L687 PolarHBondContact O-N 3.4Å; L684-E688 PolarHBondContact O-N 3.43Å; L684-I692 HydrophobicContact CD1-CD1 4.43Å; L684-I692 HydrophobicContact CD2-CD1 3.82Å
685L83.4Confident82Confident98 Ų9884.6 Ų84.651%0.51345%0.45SS..Hα-helixtrans-57.1-40.3174.8-74.1174.9000111.7K681 L682 L687 E688K681-L685 WeakPolarHBondContact O-CG 3.28Å; K681-L685 PolarHBondContact O-N 2.8Å; L682-L685 HydrophobicContact CD2-CD1 3.88Å; L682-L685 WeakPolarHBondContact O-CB 3.09Å; L682-L685 PolarHBondContact O-N 3.05Å; L685-L687 PolarHBondContact O-N 3.15Å; L685-L687 VanDerWaalsContact O-N 3.16Å; L685-E688 WeakPolarHBondContact O-CB 3.38Å; L685-E688 PolarHBondContact O-N 3.41Å
686D75.4Confident81.4Confident150 Ų15086.5 Ų86.580%0.80247%0.473SS*.THydrogen-bonded Turntrans-66.9-15.2177.8-65.4-27.4000112.8L684L684-D686 VanDerWaalsContact C-N 3.25Å; L684-D686 PolarHBondContact O-N 3.48Å
687L77.2Confident81.2Confident83 Ų8390.4 Ų90.444%0.43550%0.5SS..THydrogen-bonded Turntrans-113.718.1-179.1-61.2174.6000111.9L684 L685 N689 V690L684-L687 HydrophobicContact CD2-CD1 4.31Å; L684-L687 CarbonylContact O-C 3.5Å; L684-L687 VanDerWaalsContact O-C 3.32Å; L684-L687 WeakPolarHBondContact O-CA 3.5Å; L684-L687 PolarHBondContact O-N 3.4Å; L685-L687 PolarHBondContact O-N 3.15Å; L685-L687 VanDerWaalsContact O-N 3.16Å; L687-N689 PolarHBondContact O-N 3.19Å; L687-V690 HydrophobicContact CB-CB 4.36Å; L687-V690 WeakPolarHBondContact O-CB 3.46Å; L687-V690 PolarHBondContact O-N 3.15Å
688E73.6Confident81.3Confident138 Ų13893.7 Ų93.765%0.64553%0.529SS*.THydrogen-bonded Turntrans-60123.6-178.3-160.3175.6-16100110.4L684 L685 V690L684-E688 PolarHBondContact O-N 3.43Å; L685-E688 WeakPolarHBondContact O-CB 3.38Å; L685-E688 PolarHBondContact O-N 3.41Å; E688-V690 VanDerWaalsContact C-N 3.28Å; E688-V690 PolarHBondContact O-N 3.17Å
689N73.6Confident81.4Confident162 Ų16295.1 Ų95.187%0.86654%0.543SS*.THydrogen-bonded Turntrans69.68.9-172.2-46.2-72.4000116.4L687L687-N689 PolarHBondContact O-N 3.19Å
690V79Confident81.4Confident82 Ų8298.1 Ų98.150%0.49757%0.567SS.*PPolyproline II helixtrans-93.9124.6171.1-176.70000109.1L687 E688 I692L687-V690 HydrophobicContact CB-CB 4.36Å; L687-V690 WeakPolarHBondContact O-CB 3.46Å; L687-V690 PolarHBondContact O-N 3.15Å; E688-V690 VanDerWaalsContact C-N 3.28Å; E688-V690 PolarHBondContact O-N 3.17Å; V690-I692 PolarHBondContact O-N 2.89Å
691P76.8Confident81.3Confident113 Ų113107.4 Ų107.473%0.73461%0.607SS**PPolyproline II helixtrans-65.2124.7177.926.6-33000110.2P693P691-P693 WeakPolarHBondContact O-CD 3.46Å
692I78.8Confident81.3Confident54 Ų54107.5 Ų107.528%0.27762%0.618SS.*PPolyproline II helixtrans-73.2118.4176.5-57.3176.2000108A517 P519 V520 L684 V690A517-I692 HydrophobicContact CB-CG2 4.49Å; P519-I692 HydrophobicContact CB-CG2 4.25Å; P519-I692 HydrophobicContact CG-CG2 4Å; V520-I692 HydrophobicContact CG2-CD1 3.8Å; L684-I692 HydrophobicContact CD1-CD1 4.43Å; L684-I692 HydrophobicContact CD2-CD1 3.82Å; V690-I692 PolarHBondContact O-N 2.89Å
693P78.9Confident81.3Confident68 Ų68107.3 Ų107.344%0.44262%0.623SS.*PPolyproline II helixtrans-73.7138.7-178.930.4-34.3000111.1P519 P691 S695P519-P693 VanDerWaalsContact CG-O 3.32Å; P519-P693 WeakPolarHBondContact CG-O 3.45Å; P691-P693 WeakPolarHBondContact O-CD 3.46Å; P693-S695 PolarHBondContact O-N 3.42Å
694D75.8Confident81.2Confident134 Ų134107.8 Ų107.872%0.71764%0.644SS**SBendtrans-62.3-25.5177.5-68.4-37.7000113.3
695S79.1Confident81Confident90 Ų90110.2 Ų110.263%0.62966%0.657SS**SBendtrans-130.8138.4176.559.90000110.8P693 P697P693-S695 PolarHBondContact O-N 3.42Å; S695-P697 WeakPolarHBondContact O-CD 3.46Å
696A80.1Confident81Confident92 Ų92114.2 Ų114.276%0.7667%0.667SS**PPolyproline II helixtrans-61126.8178.200000110.2
697P84.5Confident81.2Confident103 Ų103114.5 Ų114.567%0.66966%0.663SS**PPolyproline II helixtrans-56.3142.1173.3-23.532.9000111S695 V699S695-P697 WeakPolarHBondContact O-CD 3.46Å; P697-V699 PolarHBondContact O-N 3.41Å
698A87.6Confident81.4Confident98 Ų98117.7 Ų117.781%0.8167%0.674SS**PPolyproline II helixtrans-62127.3179.300000110.6P700A698-P700 WeakPolarHBondContact O-CD 3.39Å
699V88.4Confident81.4Confident138 Ų138117.1 Ų117.184%0.83668%0.684SS**PPolyproline II helixtrans-65.3121.2173.1-177.10000107.9P697P697-V699 PolarHBondContact O-N 3.41Å
700P88.6Confident81.6Confident110 Ų110117.9 Ų117.971%0.71468%0.675SS**PPolyproline II helixtrans-61.8153.8179.124.6-32.2000110.6A698A698-P700 WeakPolarHBondContact O-CD 3.39Å
701K86.3Confident81.5Confident195 Ų195120.7 Ų120.785%0.84869%0.688SS**PPolyproline II helixtrans-56.3143.9176.6-69.7-176.5-178.2179.10109.9
702P84.2Confident81.1Confident102 Ų102123.6 Ų123.666%0.66269%0.689SS**PPolyproline II helixtrans-56145.7175.224.4-33.3000109.7
703P85.3Confident80.5Confident93 Ų93124.1 Ų124.160%0.60470%0.698SS**PPolyproline II helixtrans-52.6145.6175.8-25.434.3000111.2N705P703-N705 WeakPolarHBondContact CB-O 3.26Å; P703-N705 PolarHBondContact O-N 2.88Å; P703-N705 VanDerWaalsContact O-N 3.13Å
704S84.2Confident79.6Confident129 Ų129129.9 Ų129.990%0.90272%0.719SS**SBendtrans-64.8-15.6179.248.50000113.6
705N80.6Confident78.6Confident82 Ų82129.1 Ų129.144%0.43972%0.719SS.*SBendtrans-141.8149.6175.756.524.5000110.2P703 H707P703-N705 WeakPolarHBondContact CB-O 3.26Å; P703-N705 PolarHBondContact O-N 2.88Å; P703-N705 VanDerWaalsContact O-N 3.13Å; N705-H707 PolarHBondContact O-N 3.12Å
706Y82.9Confident77.2Confident182 Ų182134.1 Ų134.171%0.71473%0.733SS**  trans-87.331.4174.8-62.3-79.7000111.8F708Y706-F708 VanDerWaalsContact C-N 3.28Å; Y706-F708 AromaticContact CD1-CZ 3.96Å; Y706-F708 HydrophobicContact CD1-CZ 3.96Å; Y706-F708 VanDerWaalsContact O-CD2 3.25Å; Y706-F708 WeakPolarHBondContact O-CD2 3.41Å; Y706-F708 PolarHBondContact O-N 2.95Å
707H80.8Confident75.4Confident156 Ų156142.3 Ų142.372%0.72276%0.755SS**  trans-80.781.7172.1-68-59.3000108.2N705N705-H707 PolarHBondContact O-N 3.12Å
708F80.8Confident74.9Confident151 Ų151144.3 Ų144.366%0.66276%0.76SS**  trans-61.8141.2179-58.6-73.6000110.5Y706 Y710Y706-F708 VanDerWaalsContact C-N 3.28Å; Y706-F708 AromaticContact CD1-CZ 3.96Å; Y706-F708 HydrophobicContact CD1-CZ 3.96Å; Y706-F708 VanDerWaalsContact O-CD2 3.25Å; Y706-F708 WeakPolarHBondContact O-CD2 3.41Å; Y706-F708 PolarHBondContact O-N 2.95Å; F708-Y710 PolarHBondContact O-N 3.19Å
709C74.2Confident74.3Confident126 Ų126146.7 Ų146.785%0.85176%0.757SS**SBendtrans-65.5-17.9178.2-63.10000113.4
710Y76.3Confident73.5Confident177 Ų177147.2 Ų147.269%0.69475%0.752SS**SBendtrans-125.2129.4178.4-60.4-76.8000108.3F708 F712F708-Y710 PolarHBondContact O-N 3.19Å; Y710-F712 PolarHBondContact O-N 3.03Å
711D77.9Confident72.6Confident142 Ų142149.4 Ų149.476%0.75976%0.755SS**  trans-84.1110.8173.2-149.1-17.9000108.1S713D711-S713 PolarHBondContact O-N 3.08Å; D711-S713 PolarHBondContact OD1-N 2.98Å; D711-S713 PolarHBondContact OD1-OG 3.27Å
712F67.3Low71.7Confident173 Ų173146.6 Ų146.676%0.75975%0.749SS**  trans-87.613.1176-67.7-83000111.7Y710 Q714Y710-F712 PolarHBondContact O-N 3.03Å; F712-Q714 PolarHBondContact O-N 2.72Å; F712-Q714 VanDerWaalsContact O-N 3.08Å
713S67.6Low70.9Confident66 Ų66149.5 Ų149.546%0.46276%0.755SS.*  trans-56.2116.5168.563.20000108.7D711 T715D711-S713 PolarHBondContact O-N 3.08Å; D711-S713 PolarHBondContact OD1-N 2.98Å; D711-S713 PolarHBondContact OD1-OG 3.27Å; S713-T715 VanDerWaalsContact C-N 3.31Å; S713-T715 PolarHBondContact O-N 3.35Å; S713-T715 PolarHBondContact O-OG1 3.14Å
714Q60Low69.9Low188 Ų188153.6 Ų153.688%0.87977%0.765SS**  trans-5692.7175.4-72.9176.3-20.400110.5F712F712-Q714 PolarHBondContact O-N 2.72Å; F712-Q714 VanDerWaalsContact O-N 3.08Å
715T54.2Low68.8Low118 Ų118155.5 Ų155.572%0.72476%0.755SS**  trans-121.68815732.20000106.3S713S713-T715 VanDerWaalsContact C-N 3.31Å; S713-T715 PolarHBondContact O-N 3.35Å; S713-T715 PolarHBondContact O-OG1 3.14Å
716E50.6Low67.8Low196 Ų196161.6 Ų161.692%0.91678%0.781SS**  trans153.883.7153-85.1176-172.900109
717Q41.3Very low66.4Low264 Ų264159.7 Ų159.7100%1.23479%0.787SS**  trans-109.50146.2-99.1-172.1-2.700107.8

Retrieved 717 of 717 residues in 316 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).