A0A077YWL3_TRITR Loading...

Thioredoxin domain containing protein

AlphaFold DB , UniProt , Accession A0A077YWL3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 231 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M41.9Very low80.9Confident225 Ų22565.5 Ų65.5100%1.10833%0.333SS*.  0128.50-66.8-91.4-176.900107
2P49.9Very low82.1Confident98 Ų9860.1 Ų60.164%0.63631%0.305SS*.  trans-66.7143.6176.127.6-32.7000110.9F4P2-F4 HydrophobicContact CB-CD2 3.65Å; P2-F4 HydrophobicContact CB-CE2 3.66Å; P2-F4 HydrophobicContact CG-CD2 3.67Å; P2-F4 HydrophobicContact CG-CE2 3.73Å; P2-F4 PolarHBondContact O-N 2.81Å
3H64.7Low82.9Confident147 Ų14760.6 Ų60.668%0.68132%0.315SS*.  trans-73.146.5-170.5-69.8-80.8000114.6D67H3-D67 WeakPolarHBondContact CB-OD1 3.42Å; H3-D67 IonicContact CE1-OD1 3.87Å; H3-D67 IonicContact CG-OD1 3.44Å; H3-D67 IonicContact ND1-OD1 2.73Å; H3-D67 PolarHBondContact ND1-OD1 2.73Å
4F78.9Confident83.5Confident76 Ų7668.9 Ų68.933%0.33334%0.34SS..  trans-71.5130.5179.3-80.1-93.8000111.6P2 N36P2-F4 HydrophobicContact CB-CD2 3.65Å; P2-F4 HydrophobicContact CB-CE2 3.66Å; P2-F4 HydrophobicContact CG-CD2 3.67Å; P2-F4 HydrophobicContact CG-CE2 3.73Å; P2-F4 PolarHBondContact O-N 2.81Å; F4-N36 WeakPolarHBondContact CD1-O 3.15Å; F4-N36 WeakPolarHBondContact CE1-OD1 3.48Å
5S89Confident84.3Confident11 Ų1165.3 Ų65.38%0.07732%0.324CS..EExtended strand (participates in β ladder)trans-69.4141.8162.5158.80000109.9I37 K38 H64S5-I37 WeakPolarHBondContact O-CA 3.31Å; S5-K38 PolarHBondContact O-N 3.43Å; S5-H64 PolarHBondContact OG-CD2 3.14Å; S5-H64 VanDerWaalsContact OG-CD2 3.29Å; S5-H64 PolarHBondContact OG-NE2 3.08Å
6Q92.9Very high84.9Confident96 Ų9667.2 Ų67.245%0.44934%0.343SS..EExtended strand (participates in β ladder)trans-126.4136.1174-98169.294.500109.2K38 V65Q6-K38 CarbonylContact C-O 3.56Å; Q6-K38 VanDerWaalsContact CA-O 3.28Å; Q6-K38 WeakPolarHBondContact CA-O 3.13Å; Q6-K38 HydrophobicContact CG-CB 3.63Å; Q6-K38 HydrophobicContact CG-CD 4.44Å; Q6-V65 HydrophobicContact CB-CB 4.21Å; Q6-V65 PolarHBondContact N-O 3.44Å; Q6-V65 PolarHBondContact O-N 2.95Å
7T93.9Very high85.4Confident5 Ų565.4 Ų65.43%0.03134%0.341CS..EExtended strand (participates in β ladder)trans-126.7121.2173.5-37.20000109W25 K38 V39 A40 I62 F63 H64T7-W25 HydrophobicContact CG2-CH2 3.73Å; T7-W25 HydrophobicContact CG2-CZ3 4.46Å; T7-K38 PolarHBondContact N-O 3.06Å; T7-V39 CarbonylContact O-C 3.57Å; T7-V39 WeakPolarHBondContact O-CA 3.17Å; T7-A40 PolarHBondContact O-N 3.29Å; T7-I62 HydrophobicContact CG2-CG2 3.69Å; T7-F63 CarbonylContact C-O 3.59Å; T7-F63 WeakPolarHBondContact CA-O 3.37Å; T7-F63 WeakPolarHBondContact CG2-O 3.49Å; T7-H64 HydrophobicContact CG2-CB 4.4Å
8A94.3Very high85.9Confident15 Ų1562 Ų6212%0.12432%0.323CS..EExtended strand (participates in β ladder)trans-121123.1-176.200000110.4A40 F63A8-A40 WeakPolarHBondContact CA-O 3.5Å; A8-A40 HydrophobicContact CB-CB 4.03Å; A8-F63 PolarHBondContact N-O 2.8Å; A8-F63 PolarHBondContact O-N 3.33Å
9K94.6Very high86.3Confident9 Ų966 Ų664%0.03934%0.338CS..EExtended strand (participates in β ladder)trans-86.5141.1165.584.5167.1-178.4176.70109.7H11 L21 W25 A40 D41 V42 I62K9-H11 HydrophobicContact CD-CB 4.43Å; K9-L21 HydrophobicContact CD-CD2 4.19Å; K9-W25 HydrophobicContact CB-CD2 4.09Å; K9-W25 HydrophobicContact CB-CE3 4.43Å; K9-W25 HydrophobicContact CB-CH2 4.17Å; K9-W25 HydrophobicContact CB-CZ2 3.81Å; K9-W25 HydrophobicContact CB-CZ3 4.47Å; K9-W25 HydrophobicContact CD-CB 4.21Å; K9-W25 HydrophobicContact CD-CD2 3.98Å; K9-W25 HydrophobicContact CD-CG 3.69Å; K9-W25 HydrophobicContact CG-CD2 4.13Å; K9-W25 HydrophobicContact CG-CG 4.24Å; K9-W25 HydrophobicContact CG-CZ2 4.26Å; K9-A40 PolarHBondContact N-O 3.23Å; K9-A40 VanDerWaalsContact N-O 3.16Å; K9-D41 WeakPolarHBondContact CE-OD1 3.41Å; K9-D41 WeakPolarHBondContact CE-OD2 3.39Å; K9-D41 WeakPolarHBondContact CG-OD1 3.37Å; K9-D41 IonicContact NZ-OD1 3.96Å; K9-D41 IonicContact NZ-OD2 3.32Å; K9-D41 PolarHBondContact NZ-OD2 3.09Å; K9-V42 PolarHBondContact O-N 2.91Å; K9-I62 HydrophobicContact CB-CG1 3.96Å
10H94.9Very high86.7Confident2 Ų268.7 Ų68.71%0.00935%0.353CS..EExtended strand (participates in β ladder)trans-105.8125.5166.8-68.573.8000108V42 V44 F54 V56 L59 P60 T61 F63H10-V42 WeakPolarHBondContact CA-O 3.39Å; H10-V44 HydrophobicContact CB-CG1 3.84Å; H10-F54 AromaticContact NE2-CG 3.91Å; H10-V56 HydrophobicContact CB-CG1 4.07Å; H10-V56 HydrophobicContact CB-CG2 4.23Å; H10-L59 HydrophobicContact CB-CD2 4.42Å; H10-L59 WeakPolarHBondContact O-CD2 3.49Å; H10-P60 WeakPolarHBondContact O-CA 3.11Å; H10-T61 PolarHBondContact N-O 2.96Å; H10-T61 PolarHBondContact O-N 3.19Å; H10-F63 AromaticContact CE1-CD2 3.53Å; H10-F63 AromaticContact CE1-CE2 3.76Å; H10-F63 AromaticContact ND1-CD2 3.37Å; H10-F63 WeakPolarHBondContact ND1-CD2 3.42Å; H10-F63 AromaticContact ND1-CE2 3.54Å
11H95.2Very high87Confident37 Ų3765.6 Ų65.617%0.17134%0.337CS..EExtended strand (participates in β ladder)trans-139168.5-174.685-90.9000111.5K9 C18 D41 V42 D43 V44K9-H11 HydrophobicContact CD-CB 4.43Å; H11-C18 HydrophobicContact CB-CB 3.99Å; H11-D41 IonicContact CE1-OD1 3.21Å; H11-D41 PolarHBondContact CE1-OD1 3.11Å; H11-D41 IonicContact CE1-OD2 3.6Å; H11-D41 IonicContact CG-OD1 3.81Å; H11-D41 IonicContact ND1-OD1 2.67Å; H11-D41 PolarHBondContact ND1-OD1 2.85Å; H11-D41 IonicContact ND1-OD2 3.69Å; H11-V42 PolarHBondContact N-O 2.88Å; H11-V42 PolarHBondContact ND1-O 3.27Å; H11-D43 WeakPolarHBondContact O-CA 3.48Å; H11-V44 WeakPolarHBondContact O-CG2 3.44Å; H11-V44 PolarHBondContact O-N 3.01Å
12A94.8Very high89.5Confident0 Ų056 Ų560%030%0.295CS..  trans-135.4145.216800000110.6W14 C15 V44 T45 L59A12-W14 VanDerWaalsContact C-N 3.28Å; A12-W14 HydrophobicContact CB-CD2 4.03Å; A12-W14 HydrophobicContact CB-CG 4.47Å; A12-W14 HydrophobicContact CB-CH2 4.29Å; A12-W14 HydrophobicContact CB-CZ2 3.66Å; A12-W14 PolarHBondContact O-N 3.45Å; A12-C15 PolarHBondContact O-N 3.1Å; A12-V44 HydrophobicContact CB-CG2 4.13Å; A12-T45 HydrophobicContact CB-CG2 3.83Å; A12-L59 HydrophobicContact CB-CD1 3.54Å
13P93Very high91.6Very high67 Ų6759.3 Ų59.344%0.43530%0.3SS..THydrogen-bonded Turntrans-67.9-23.5-173.225.5-35.1000114.2K19P13-K19 WeakPolarHBondContact O-CE 3.44Å
14W91.5Very high93Very high176 Ų17653.3 Ų53.367%0.66728%0.276SS*.THydrogen-bonded Turntrans-85.4-11.5177.648.1-103.2000114A12 P16 L59A12-W14 VanDerWaalsContact C-N 3.28Å; A12-W14 HydrophobicContact CB-CD2 4.03Å; A12-W14 HydrophobicContact CB-CG 4.47Å; A12-W14 HydrophobicContact CB-CH2 4.29Å; A12-W14 HydrophobicContact CB-CZ2 3.66Å; A12-W14 PolarHBondContact O-N 3.45Å; W14-P16 WeakPolarHBondContact O-CD 3.49Å; W14-L59 HydrophobicContact CH2-CD1 4Å; W14-L59 HydrophobicContact CZ2-CD1 4.26Å
15C94.3Very high93.8Very high15 Ų1550 Ų5010%0.10126%0.261CS..  trans-84.4120.2-176.4178.80000111.4A12 C18 K19A12-C15 PolarHBondContact O-N 3.1Å; C15-C18 HydrophobicContact CB-CB 3.83Å; C15-C18 VanDerWaalsContact CB-SG 3.59Å; C15-C18 WeakPolarHBondContact O-CB 3.45Å; C15-C18 PolarHBondContact O-N 3.29Å; C15-K19 PolarHBondContact O-N 3.09Å
16P94.1Very high94.1Very high96 Ų9652.9 Ų52.962%0.62328%0.281SS*.Hα-helixtrans-59.5-50.4-179.6-24.334.6000112.7W14 C18 K19 D20W14-P16 WeakPolarHBondContact O-CD 3.49Å; P16-C18 PolarHBondContact O-N 2.87Å; P16-C18 VanDerWaalsContact O-N 3.07Å; P16-K19 WeakPolarHBondContact O-CA 3.47Å; P16-K19 WeakPolarHBondContact O-CB 3.16Å; P16-K19 PolarHBondContact O-N 3.44Å; P16-D20 PolarHBondContact O-N 3.23Å
17A93.8Very high94.2Very high37 Ų3750.5 Ų50.531%0.30628%0.275SS..Hα-helixtrans-61.1-21.9179.300000113.9L21A17-L21 PolarHBondContact O-N 3.17Å
18C95.1Very high94.2Very high4 Ų450.4 Ų50.43%0.02727%0.274CS..Hα-helixtrans-74.4-31.5172.2-73.10000113H11 C15 P16 G22H11-C18 HydrophobicContact CB-CB 3.99Å; C15-C18 HydrophobicContact CB-CB 3.83Å; C15-C18 VanDerWaalsContact CB-SG 3.59Å; C15-C18 WeakPolarHBondContact O-CB 3.45Å; C15-C18 PolarHBondContact O-N 3.29Å; P16-C18 PolarHBondContact O-N 2.87Å; P16-C18 VanDerWaalsContact O-N 3.07Å; C18-G22 PolarHBondContact O-N 3Å; C18-G22 VanDerWaalsContact O-N 3.1Å
19K93.3Very high94.2Very high138 Ų13851.2 Ų51.260%0.628%0.281SS*.Hα-helixtrans-71.6-41.8177.8-64.3-178.2-179.4179.70111P13 C15 P16 G22P13-K19 WeakPolarHBondContact O-CE 3.44Å; C15-K19 PolarHBondContact O-N 3.09Å; P16-K19 WeakPolarHBondContact O-CA 3.47Å; P16-K19 WeakPolarHBondContact O-CB 3.16Å; P16-K19 PolarHBondContact O-N 3.44Å; K19-G22 WeakPolarHBondContact O-CA 3.28Å; K19-G22 PolarHBondContact O-N 3.1Å
20D93Very high94.2Very high119 Ų11957.4 Ų57.464%0.63631%0.31SS*.Hα-helixtrans-62.2-51.7178.1-58.5-34000111.1P16 G22 K23P16-D20 PolarHBondContact O-N 3.23Å; D20-G22 PolarHBondContact O-N 3.21Å; D20-G22 VanDerWaalsContact O-N 3.16Å; D20-K23 PolarHBondContact O-N 2.68Å
21L94.5Very high94.1Very high5 Ų562.8 Ų62.83%0.02633%0.33CS..Hα-helixtrans-57.8-28.4172.3174.165.2000112.4K9 A17 K23 A24 W25 P60 I62 R77 F82K9-L21 HydrophobicContact CD-CD2 4.19Å; A17-L21 PolarHBondContact O-N 3.17Å; L21-K23 VanDerWaalsContact C-N 3.26Å; L21-K23 PolarHBondContact O-N 3.33Å; L21-A24 PolarHBondContact O-N 3.21Å; L21-W25 VanDerWaalsContact O-CB 3.25Å; L21-W25 WeakPolarHBondContact O-CB 3.19Å; L21-W25 PolarHBondContact O-N 2.91Å; L21-P60 HydrophobicContact CB-CG 4.45Å; L21-P60 HydrophobicContact CD2-CB 3.46Å; L21-P60 VanDerWaalsContact CD2-CB 3.46Å; L21-P60 HydrophobicContact CD2-CG 3.54Å; L21-I62 HydrophobicContact CD1-CD1 4.34Å; L21-I62 HydrophobicContact CD2-CD1 4.08Å; L21-I62 HydrophobicContact CD2-CG1 4.43Å; L21-R77 HydrophobicContact CD1-CB 3.99Å; L21-R77 HydrophobicContact CD1-CG 4.3Å; L21-F82 HydrophobicContact CD1-CE2 3.78Å; L21-F82 HydrophobicContact CD1-CZ 3.63Å
22G94.1Very high93.9Very high22 Ų2262.4 Ų62.423%0.22733%0.332CS..Hα-helixtrans-54.8-38.4-178.900000113.9C18 K19 D20 S26C18-G22 PolarHBondContact O-N 3Å; C18-G22 VanDerWaalsContact O-N 3.1Å; K19-G22 WeakPolarHBondContact O-CA 3.28Å; K19-G22 PolarHBondContact O-N 3.1Å; D20-G22 PolarHBondContact O-N 3.21Å; D20-G22 VanDerWaalsContact O-N 3.16Å; G22-S26 WeakPolarHBondContact O-CB 3.29Å; G22-S26 PolarHBondContact O-N 2.81Å; G22-S26 VanDerWaalsContact O-N 3.08Å
23K93.3Very high93.7Very high168 Ų16871.1 Ų71.173%0.7337%0.369SS*.Hα-helixtrans-68.4-52.9178-65.9178.1-178.8174.50111.5D20 L21 W25 S26 S27D20-K23 PolarHBondContact O-N 2.68Å; L21-K23 VanDerWaalsContact C-N 3.26Å; L21-K23 PolarHBondContact O-N 3.33Å; K23-W25 VanDerWaalsContact C-N 3.3Å; K23-W25 PolarHBondContact O-N 2.99Å; K23-S26 PolarHBondContact O-N 2.75Å; K23-S27 PolarHBondContact O-N 2.9Å; K23-S27 VanDerWaalsContact O-N 3.14Å; K23-S27 PolarHBondContact O-OG 3.18Å
24A94.4Very high93.6Very high21 Ų2173.7 Ų73.717%0.17438%0.38CS..Hα-helixtrans-60.3-39.6178.400000112.1L21 S27 F28 R77L21-A24 PolarHBondContact O-N 3.21Å; A24-S27 PolarHBondContact O-N 3.23Å; A24-F28 WeakPolarHBondContact O-CB 3.31Å; A24-F28 PolarHBondContact O-N 3.33Å; A24-R77 WeakPolarHBondContact CB-O 3.43Å
25W95.6Very high93.5Very high8 Ų867 Ų673%0.0336%0.357CS..Hα-helixtrans-65.5-41.7177.9-167.7-104.5000113.2T7 K9 L21 K23 F28 A29 V39 A40 I62 F82T7-W25 HydrophobicContact CG2-CH2 3.73Å; T7-W25 HydrophobicContact CG2-CZ3 4.46Å; K9-W25 HydrophobicContact CB-CD2 4.09Å; K9-W25 HydrophobicContact CB-CE3 4.43Å; K9-W25 HydrophobicContact CB-CH2 4.17Å; K9-W25 HydrophobicContact CB-CZ2 3.81Å; K9-W25 HydrophobicContact CB-CZ3 4.47Å; K9-W25 HydrophobicContact CD-CB 4.21Å; K9-W25 HydrophobicContact CD-CD2 3.98Å; K9-W25 HydrophobicContact CD-CG 3.69Å; K9-W25 HydrophobicContact CG-CD2 4.13Å; K9-W25 HydrophobicContact CG-CG 4.24Å; K9-W25 HydrophobicContact CG-CZ2 4.26Å; L21-W25 VanDerWaalsContact O-CB 3.25Å; L21-W25 WeakPolarHBondContact O-CB 3.19Å; L21-W25 PolarHBondContact O-N 2.91Å; K23-W25 VanDerWaalsContact C-N 3.3Å; K23-W25 PolarHBondContact O-N 2.99Å; W25-F28 HydrophobicContact CD2-CD1 4.36Å; W25-F28 AromaticContact CE3-CD1 3.93Å; W25-F28 HydrophobicContact CE3-CD1 3.93Å; W25-F28 HydrophobicContact CE3-CE1 4.43Å; W25-F28 HydrophobicContact CH2-CD1 4.32Å; W25-F28 HydrophobicContact CH2-CE1 4.04Å; W25-F28 AromaticContact CZ3-CD1 3.91Å; W25-F28 HydrophobicContact CZ3-CD1 3.91Å; W25-F28 AromaticContact CZ3-CE1 3.94Å; W25-F28 HydrophobicContact CZ3-CE1 3.94Å; W25-F28 PolarHBondContact O-N 2.79Å; W25-A29 WeakPolarHBondContact O-CB 3.31Å; W25-A29 PolarHBondContact O-N 3.4Å; W25-V39 HydrophobicContact CD2-CG1 4.41Å; W25-V39 HydrophobicContact CH2-CG1 4.24Å; W25-V39 HydrophobicContact CZ2-CG1 3.46Å; W25-V39 VanDerWaalsContact CZ2-CG1 3.46Å; W25-A40 WeakPolarHBondContact CZ2-O 3.39Å; W25-A40 PolarHBondContact NE1-O 2.87Å; W25-I62 HydrophobicContact CE3-CD1 4.28Å; W25-I62 HydrophobicContact CH2-CG2 3.78Å; W25-I62 HydrophobicContact CZ3-CD1 3.89Å; W25-I62 HydrophobicContact CZ3-CG1 4.17Å; W25-I62 HydrophobicContact CZ3-CG2 3.87Å; W25-F82 HydrophobicContact CE3-CD2 4.37Å; W25-F82 HydrophobicContact CE3-CE2 4.1Å; W25-F82 HydrophobicContact CE3-CZ 4.26Å; W25-F82 HydrophobicContact CZ3-CD1 4.5Å; W25-F82 HydrophobicContact CZ3-CE1 4.37Å; W25-F82 HydrophobicContact CZ3-CZ 4.4Å
26S95.1Very high93.3Very high70 Ų7071.3 Ų71.349%0.4938%0.379SS..Hα-helixtrans-63-45.6175.8-173.20000111.2G22 K23 F28 A29 Q30G22-S26 WeakPolarHBondContact O-CB 3.29Å; G22-S26 PolarHBondContact O-N 2.81Å; G22-S26 VanDerWaalsContact O-N 3.08Å; K23-S26 PolarHBondContact O-N 2.75Å; S26-F28 VanDerWaalsContact C-N 3.33Å; S26-F28 PolarHBondContact O-N 2.79Å; S26-A29 WeakPolarHBondContact O-CB 3.21Å; S26-A29 PolarHBondContact O-N 3.29Å; S26-Q30 PolarHBondContact O-N 3.03Å
27S94.4Very high93.3Very high47 Ų4767.2 Ų67.233%0.32935%0.351SS..Hα-helixtrans-63.9-36.2175.8-54.50000112.5K23 A24 W31K23-S27 PolarHBondContact O-N 2.9Å; K23-S27 VanDerWaalsContact O-N 3.14Å; K23-S27 PolarHBondContact O-OG 3.18Å; A24-S27 PolarHBondContact O-N 3.23Å; S27-W31 VanDerWaalsContact O-CD1 3.29Å
28F95Very high93.3Very high2 Ų271.4 Ų71.41%0.00936%0.363CS..Hα-helixtrans-66.7-40.5171.7167.2-116.2000112.4A24 W25 S26 Q30 W31 I37 V39 F82 I83 V86A24-F28 WeakPolarHBondContact O-CB 3.31Å; A24-F28 PolarHBondContact O-N 3.33Å; W25-F28 HydrophobicContact CD2-CD1 4.36Å; W25-F28 AromaticContact CE3-CD1 3.93Å; W25-F28 HydrophobicContact CE3-CD1 3.93Å; W25-F28 HydrophobicContact CE3-CE1 4.43Å; W25-F28 HydrophobicContact CH2-CD1 4.32Å; W25-F28 HydrophobicContact CH2-CE1 4.04Å; W25-F28 AromaticContact CZ3-CD1 3.91Å; W25-F28 HydrophobicContact CZ3-CD1 3.91Å; W25-F28 AromaticContact CZ3-CE1 3.94Å; W25-F28 HydrophobicContact CZ3-CE1 3.94Å; W25-F28 PolarHBondContact O-N 2.79Å; S26-F28 VanDerWaalsContact C-N 3.33Å; S26-F28 PolarHBondContact O-N 2.79Å; F28-Q30 PolarHBondContact O-N 3.09Å; F28-W31 PolarHBondContact O-N 3.14Å; F28-I37 HydrophobicContact CE1-CD1 4.36Å; F28-I37 HydrophobicContact CE2-CD1 3.96Å; F28-I37 HydrophobicContact CZ-CD1 3.48Å; F28-I37 VanDerWaalsContact CZ-CD1 3.48Å; F28-V39 HydrophobicContact CD1-CG1 4.08Å; F28-V39 HydrophobicContact CD1-CG2 4.1Å; F28-V39 HydrophobicContact CE1-CG1 4.04Å; F28-V39 HydrophobicContact CE1-CG2 3.59Å; F28-V39 HydrophobicContact CZ-CG2 4.04Å; F28-F82 HydrophobicContact CB-CB 4.37Å; F28-F82 HydrophobicContact CB-CD2 4.2Å; F28-F82 HydrophobicContact CD1-CB 4.1Å; F28-F82 HydrophobicContact CD1-CD2 4.43Å; F28-F82 HydrophobicContact CD1-CG 4.39Å; F28-F82 HydrophobicContact CD2-CB 3.49Å; F28-F82 VanDerWaalsContact CD2-CB 3.49Å; F28-F82 HydrophobicContact CE1-CB 4.23Å; F28-F82 HydrophobicContact CE2-CB 3.64Å; F28-F82 HydrophobicContact CG-CB 3.72Å; F28-F82 HydrophobicContact CG-CD2 4.24Å; F28-F82 HydrophobicContact CG-CG 4.3Å; F28-F82 HydrophobicContact CZ-CB 4.01Å; F28-I83 HydrophobicContact CD2-CG1 4.04Å; F28-I83 HydrophobicContact CE2-CG1 4.49Å; F28-V86 HydrophobicContact CZ-CG2 4.31Å
29A94.9Very high93.3Very high32 Ų3272.8 Ų72.826%0.26437%0.371SS..Hα-helixtrans-62.3-27.1-18000000113.3W25 S26 W31 S32 V39W25-A29 WeakPolarHBondContact O-CB 3.31Å; W25-A29 PolarHBondContact O-N 3.4Å; S26-A29 WeakPolarHBondContact O-CB 3.21Å; S26-A29 PolarHBondContact O-N 3.29Å; A29-W31 VanDerWaalsContact C-N 3.29Å; A29-W31 PolarHBondContact O-N 3.15Å; A29-S32 WeakPolarHBondContact O-CB 3.44Å; A29-S32 PolarHBondContact O-N 2.83Å; A29-S32 PolarHBondContact O-OG 3.13Å; A29-V39 HydrophobicContact CB-CB 4.11Å; A29-V39 HydrophobicContact CB-CG1 3.86Å
30Q94.8Very high93.3Very high140 Ų14068 Ų6865%0.65436%0.357SS*.Hα-helixtrans-61.9-36.1173.6-67.1175.15.600112.4S26 F28 S32S26-Q30 PolarHBondContact O-N 3.03Å; F28-Q30 PolarHBondContact O-N 3.09Å; Q30-S32 PolarHBondContact O-N 2.93Å
31W92.4Very high93.3Very high114 Ų11466.3 Ų66.343%0.43235%0.348SS..THydrogen-bonded Turntrans-80.62.4178.9-67.871.2000113.4S27 F28 A29 K33 D34 L35 I83S27-W31 VanDerWaalsContact O-CD1 3.29Å; F28-W31 PolarHBondContact O-N 3.14Å; A29-W31 VanDerWaalsContact C-N 3.29Å; A29-W31 PolarHBondContact O-N 3.15Å; W31-K33 PolarHBondContact O-N 3.22Å; W31-D34 HydrophobicContact CE3-CB 4.47Å; W31-D34 PolarHBondContact O-N 2.86Å; W31-D34 VanDerWaalsContact O-N 3.14Å; W31-L35 HydrophobicContact CB-CD1 3.66Å; W31-L35 HydrophobicContact CE3-CD1 4.44Å; W31-L35 WeakPolarHBondContact O-CD1 3.15Å; W31-L35 PolarHBondContact O-N 3.17Å; W31-L35 VanDerWaalsContact O-N 3.1Å; W31-I83 HydrophobicContact CB-CD1 4.49Å; W31-I83 HydrophobicContact CD2-CD1 4Å; W31-I83 HydrophobicContact CE3-CD1 4.48Å; W31-I83 HydrophobicContact CG-CD1 3.99Å
32S91.3Very high93.3Very high29 Ų2967.1 Ų67.120%0.20335%0.354CS..THydrogen-bonded Turntrans-55.6-37.3-177.856.10000113.5A29 Q30 N36 I37A29-S32 WeakPolarHBondContact O-CB 3.44Å; A29-S32 PolarHBondContact O-N 2.83Å; A29-S32 PolarHBondContact O-OG 3.13Å; Q30-S32 PolarHBondContact O-N 2.93Å; S32-N36 PolarHBondContact O-N 2.94Å; S32-I37 CarbonylContact C-O 3.56Å; S32-I37 WeakPolarHBondContact CB-O 3.42Å; S32-I37 PolarHBondContact O-N 2.92Å
33K88.9Confident93.3Very high183 Ų18367.9 Ų67.980%0.79635%0.352SS*.THydrogen-bonded Turntrans-66.1-46.6177-66.7-178.3-179.91780111.9W31 N36W31-K33 PolarHBondContact O-N 3.22Å; K33-N36 PolarHBondContact O-N 3.09Å; K33-N36 VanDerWaalsContact O-N 3.08Å
34D91.9Very high93.2Very high122 Ų12260.8 Ų60.865%0.65232%0.323SS*.THydrogen-bonded Turntrans-69.5-37.3-174.5-49.4-49.4000111.7W31 N36W31-D34 HydrophobicContact CE3-CB 4.47Å; W31-D34 PolarHBondContact O-N 2.86Å; W31-D34 VanDerWaalsContact O-N 3.14Å; D34-N36 VanDerWaalsContact C-N 3.26Å; D34-N36 PolarHBondContact O-N 3.47Å
35L89.5Confident93Very high34 Ų3462.2 Ų62.218%0.17833%0.33CS..THydrogen-bonded Turntrans-81.7-0.9173.4-72.394.1000113.6W31 I37 I83 V86 E87W31-L35 HydrophobicContact CB-CD1 3.66Å; W31-L35 HydrophobicContact CE3-CD1 4.44Å; W31-L35 WeakPolarHBondContact O-CD1 3.15Å; W31-L35 PolarHBondContact O-N 3.17Å; W31-L35 VanDerWaalsContact O-N 3.1Å; L35-I37 VanDerWaalsContact C-N 3.28Å; L35-I37 HydrophobicContact CB-CD1 4.29Å; L35-I37 HydrophobicContact CB-CG1 4.15Å; L35-I37 HydrophobicContact CB-CG2 4.36Å; L35-I37 WeakPolarHBondContact O-CG2 3.21Å; L35-I37 PolarHBondContact O-N 3.2Å; L35-I83 HydrophobicContact CD1-CG1 4.48Å; L35-I83 HydrophobicContact CD1-CG2 4.4Å; L35-I83 HydrophobicContact CD2-CG2 4.23Å; L35-V86 HydrophobicContact CB-CG1 4.18Å; L35-V86 HydrophobicContact CD2-CB 3.62Å; L35-V86 HydrophobicContact CD2-CG1 3.66Å; L35-E87 HydrophobicContact CD2-CB 4.37Å
36N90.8Very high92.8Very high106 Ų10665 Ų6557%0.56735%0.354SS*.THydrogen-bonded Turntrans53.841.2-178.1-161.741.8000113.5F4 S32 K33 D34F4-N36 WeakPolarHBondContact CD1-O 3.15Å; F4-N36 WeakPolarHBondContact CE1-OD1 3.48Å; S32-N36 PolarHBondContact O-N 2.94Å; K33-N36 PolarHBondContact O-N 3.09Å; K33-N36 VanDerWaalsContact O-N 3.08Å; D34-N36 VanDerWaalsContact C-N 3.26Å; D34-N36 PolarHBondContact O-N 3.47Å
37I92.9Very high92.5Very high10 Ų1065 Ų655%0.05135%0.349CS..EExtended strand (participates in β ladder)trans-119.5160.4179.264.8175.6000111.1S5 F28 S32 L35 V39 V86S5-I37 WeakPolarHBondContact O-CA 3.31Å; F28-I37 HydrophobicContact CE1-CD1 4.36Å; F28-I37 HydrophobicContact CE2-CD1 3.96Å; F28-I37 HydrophobicContact CZ-CD1 3.48Å; F28-I37 VanDerWaalsContact CZ-CD1 3.48Å; S32-I37 CarbonylContact C-O 3.56Å; S32-I37 WeakPolarHBondContact CB-O 3.42Å; S32-I37 PolarHBondContact O-N 2.92Å; L35-I37 VanDerWaalsContact C-N 3.28Å; L35-I37 HydrophobicContact CB-CD1 4.29Å; L35-I37 HydrophobicContact CB-CG1 4.15Å; L35-I37 HydrophobicContact CB-CG2 4.36Å; L35-I37 WeakPolarHBondContact O-CG2 3.21Å; L35-I37 PolarHBondContact O-N 3.2Å; I37-V39 HydrophobicContact CD1-CG2 3.79Å; I37-V39 HydrophobicContact CG1-CG2 4.07Å; I37-V86 HydrophobicContact CD1-CG1 4.28Å; I37-V86 HydrophobicContact CD1-CG2 4.08Å; I37-V86 HydrophobicContact CG2-CG1 3.57Å
38K93.8Very high92.1Very high125 Ų12563.7 Ų63.754%0.54334%0.34SS..EExtended strand (participates in β ladder)trans-104.1122.9166.3-67.9179-178.7-175.50109.9S5 Q6 T7S5-K38 PolarHBondContact O-N 3.43Å; Q6-K38 CarbonylContact C-O 3.56Å; Q6-K38 VanDerWaalsContact CA-O 3.28Å; Q6-K38 WeakPolarHBondContact CA-O 3.13Å; Q6-K38 HydrophobicContact CG-CB 3.63Å; Q6-K38 HydrophobicContact CG-CD 4.44Å; T7-K38 PolarHBondContact N-O 3.06Å
39V94.7Very high91.7Very high33 Ų3363.7 Ų63.720%0.234%0.34CS..EExtended strand (participates in β ladder)trans-99.9128.4175.5-176.90000108.5T7 W25 F28 A29 I37T7-V39 CarbonylContact O-C 3.57Å; T7-V39 WeakPolarHBondContact O-CA 3.17Å; W25-V39 HydrophobicContact CD2-CG1 4.41Å; W25-V39 HydrophobicContact CH2-CG1 4.24Å; W25-V39 HydrophobicContact CZ2-CG1 3.46Å; W25-V39 VanDerWaalsContact CZ2-CG1 3.46Å; F28-V39 HydrophobicContact CD1-CG1 4.08Å; F28-V39 HydrophobicContact CD1-CG2 4.1Å; F28-V39 HydrophobicContact CE1-CG1 4.04Å; F28-V39 HydrophobicContact CE1-CG2 3.59Å; F28-V39 HydrophobicContact CZ-CG2 4.04Å; A29-V39 HydrophobicContact CB-CB 4.11Å; A29-V39 HydrophobicContact CB-CG1 3.86Å; I37-V39 HydrophobicContact CD1-CG2 3.79Å; I37-V39 HydrophobicContact CG1-CG2 4.07Å
40A94.2Very high91.3Very high38 Ų3865.4 Ų65.431%0.31434%0.344SS..EExtended strand (participates in β ladder)trans-121.7151.5-178.600000111.2T7 A8 K9 W25T7-A40 PolarHBondContact O-N 3.29Å; A8-A40 WeakPolarHBondContact CA-O 3.5Å; A8-A40 HydrophobicContact CB-CB 4.03Å; K9-A40 PolarHBondContact N-O 3.23Å; K9-A40 VanDerWaalsContact N-O 3.16Å; W25-A40 WeakPolarHBondContact CZ2-O 3.39Å; W25-A40 PolarHBondContact NE1-O 2.87Å
41D93.8Very high90.9Very high84 Ų8459.3 Ų59.345%0.44932%0.317SS..EExtended strand (participates in β ladder)trans-122.6128.5172.2-161.3-3.9000109.8K9 H11K9-D41 WeakPolarHBondContact CE-OD1 3.41Å; K9-D41 WeakPolarHBondContact CE-OD2 3.39Å; K9-D41 WeakPolarHBondContact CG-OD1 3.37Å; K9-D41 IonicContact NZ-OD1 3.96Å; K9-D41 IonicContact NZ-OD2 3.32Å; K9-D41 PolarHBondContact NZ-OD2 3.09Å; H11-D41 IonicContact CE1-OD1 3.21Å; H11-D41 PolarHBondContact CE1-OD1 3.11Å; H11-D41 IonicContact CE1-OD2 3.6Å; H11-D41 IonicContact CG-OD1 3.81Å; H11-D41 IonicContact ND1-OD1 2.67Å; H11-D41 PolarHBondContact ND1-OD1 2.85Å; H11-D41 IonicContact ND1-OD2 3.69Å
42V93.7Very high90.6Very high22 Ų2253.9 Ų53.913%0.13330%0.297CS..EExtended strand (participates in β ladder)trans-125111.6-175-174.90000109.4K9 H10 H11 V44 L50K9-V42 PolarHBondContact O-N 2.91Å; H10-V42 WeakPolarHBondContact CA-O 3.39Å; H11-V42 PolarHBondContact N-O 2.88Å; H11-V42 PolarHBondContact ND1-O 3.27Å; V42-V44 PolarHBondContact O-N 3.26Å; V42-L50 HydrophobicContact CG1-CB 4.44Å; V42-L50 HydrophobicContact CG1-CD1 4.12Å
43D94.5Very high90.3Very high37 Ų3756.2 Ų56.220%0.19830%0.301CS..EExtended strand (participates in β ladder)trans-79116.9167.2-175.5-11.4000109.7H11 T45 A46 N47H11-D43 WeakPolarHBondContact O-CA 3.48Å; D43-T45 VanDerWaalsContact C-N 3.25Å; D43-T45 VanDerWaalsContact CG-OG1 3.24Å; D43-T45 PolarHBondContact O-N 3.38Å; D43-T45 WeakPolarHBondContact OD1-CA 3.34Å; D43-T45 WeakPolarHBondContact OD1-CB 3.27Å; D43-T45 PolarHBondContact OD1-N 3.1Å; D43-T45 PolarHBondContact OD1-OG1 3.44Å; D43-T45 PolarHBondContact OD2-OG1 2.9Å; D43-T45 VanDerWaalsContact OD2-OG1 3.14Å; D43-A46 HydrophobicContact CB-CB 4.12Å; D43-N47 WeakPolarHBondContact O-CB 3.48Å; D43-N47 PolarHBondContact O-N 3.27Å; D43-N47 VanDerWaalsContact O-N 3.09Å; D43-N47 PolarHBondContact O-ND2 3.1Å
44V91.4Very high90.2Very high19 Ų1949.6 Ų49.612%0.11527%0.272CS..THydrogen-bonded Turntrans-72-19179.4-58.80000113.4H10 H11 A12 V42 V56 L59H10-V44 HydrophobicContact CB-CG1 3.84Å; H11-V44 WeakPolarHBondContact O-CG2 3.44Å; H11-V44 PolarHBondContact O-N 3.01Å; A12-V44 HydrophobicContact CB-CG2 4.13Å; V42-V44 PolarHBondContact O-N 3.26Å; V44-V56 HydrophobicContact CG1-CG1 4.45Å; V44-L59 HydrophobicContact CG1-CD2 4.12Å; V44-L59 HydrophobicContact CG2-CD1 3.93Å; V44-L59 HydrophobicContact CG2-CD2 4.14Å
45T89.6Confident89.9Confident51 Ų5146.5 Ų46.531%0.31326%0.255SS..THydrogen-bonded Turntrans-80.5-42.8178.470.60000111A12 D43A12-T45 HydrophobicContact CB-CG2 3.83Å; D43-T45 VanDerWaalsContact C-N 3.25Å; D43-T45 VanDerWaalsContact CG-OG1 3.24Å; D43-T45 PolarHBondContact O-N 3.38Å; D43-T45 WeakPolarHBondContact OD1-CA 3.34Å; D43-T45 WeakPolarHBondContact OD1-CB 3.27Å; D43-T45 PolarHBondContact OD1-N 3.1Å; D43-T45 PolarHBondContact OD1-OG1 3.44Å; D43-T45 PolarHBondContact OD2-OG1 2.9Å; D43-T45 VanDerWaalsContact OD2-OG1 3.14Å
46A91.2Very high89.8Confident67 Ų6746.1 Ų46.155%0.55425%0.254SS*.THydrogen-bonded Turntrans-70.7-30.7172.800000113D43 P48D43-A46 HydrophobicContact CB-CB 4.12Å; A46-P48 VanDerWaalsContact C-CD 3.45Å; A46-P48 VanDerWaalsContact O-CD 3.32Å; A46-P48 WeakPolarHBondContact O-CD 3.31Å
47N90Very high89.6Confident70 Ų7047.5 Ų47.537%0.37427%0.267SS..  trans-121.866.6-175-65.1-84.2000113.5D43 G49 L50 S51D43-N47 WeakPolarHBondContact O-CB 3.48Å; D43-N47 PolarHBondContact O-N 3.27Å; D43-N47 VanDerWaalsContact O-N 3.09Å; D43-N47 PolarHBondContact O-ND2 3.1Å; N47-G49 PolarHBondContact O-N 3.16Å; N47-G49 VanDerWaalsContact O-N 3.11Å; N47-L50 HydrophobicContact CB-CB 4.13Å; N47-L50 HydrophobicContact CB-CD1 3.96Å; N47-L50 HydrophobicContact CB-CG 4.2Å; N47-L50 PolarHBondContact O-N 2.96Å; N47-S51 PolarHBondContact O-N 3.44Å
48P85.1Confident89.5Confident20 Ų2049.7 Ų49.713%0.1329%0.287CS..Hα-helixtrans-63.7-21.7-176.726.6-35.8000113.9A46 S51 G52 M119A46-P48 VanDerWaalsContact C-CD 3.45Å; A46-P48 VanDerWaalsContact O-CD 3.32Å; A46-P48 WeakPolarHBondContact O-CD 3.31Å; P48-S51 WeakPolarHBondContact CA-OG 3.49Å; P48-S51 PolarHBondContact O-OG 3.09Å; P48-S51 VanDerWaalsContact O-OG 3.07Å; P48-G52 PolarHBondContact O-N 3.34Å; P48-M119 HydrophobicContact CB-CB 4.18Å; P48-M119 HydrophobicContact CB-CG 3.74Å; P48-M119 HydrophobicContact CG-CB 4.25Å; P48-M119 HydrophobicContact CG-CG 4.31Å
49G86.3Confident89.4Confident2 Ų245.8 Ų45.82%0.02127%0.272CS..Hα-helixtrans-69.2-39.6171.500000113.4N47 R53 S112 R116N47-G49 PolarHBondContact O-N 3.16Å; N47-G49 VanDerWaalsContact O-N 3.11Å; G49-R53 WeakPolarHBondContact O-CB 3.31Å; G49-R53 PolarHBondContact O-N 3.33Å; G49-S112 WeakPolarHBondContact CA-OG 2.89Å; G49-S112 WeakPolarHBondContact O-CB 3.49Å; G49-S112 PolarHBondContact O-OG 3.3Å; G49-R116 VanDerWaalsContact CA-CG 3.47Å
50L87.2Confident89.4Confident67 Ų6744.6 Ų44.635%0.35127%0.265SS..Hα-helixtrans-71-43.2178.3-69.4178.4000110.9V42 N47 G52 R53 F54V42-L50 HydrophobicContact CG1-CB 4.44Å; V42-L50 HydrophobicContact CG1-CD1 4.12Å; N47-L50 HydrophobicContact CB-CB 4.13Å; N47-L50 HydrophobicContact CB-CD1 3.96Å; N47-L50 HydrophobicContact CB-CG 4.2Å; N47-L50 PolarHBondContact O-N 2.96Å; L50-G52 VanDerWaalsContact C-N 3.32Å; L50-G52 PolarHBondContact O-N 2.95Å; L50-R53 PolarHBondContact O-N 2.86Å; L50-R53 VanDerWaalsContact O-N 3.09Å; L50-F54 HydrophobicContact CD2-CE2 4.49Å; L50-F54 WeakPolarHBondContact O-CD2 3.39Å; L50-F54 PolarHBondContact O-N 2.86Å
51S86Confident89.4Confident13 Ų1343.9 Ų43.99%0.09126%0.256CS..Hα-helixtrans-60.5-40.2178.160.40000112.8N47 P48 L55 V56N47-S51 PolarHBondContact O-N 3.44Å; P48-S51 WeakPolarHBondContact CA-OG 3.49Å; P48-S51 PolarHBondContact O-OG 3.09Å; P48-S51 VanDerWaalsContact O-OG 3.07Å; S51-L55 WeakPolarHBondContact O-CA 3.41Å; S51-L55 PolarHBondContact O-N 3.22Å; S51-V56 PolarHBondContact O-N 3.05Å
52G85.4Confident89.4Confident0 Ų040.2 Ų40.20%024%0.236CC..Hα-helixtrans-65.7-39.7171.500000113.6P48 L50 L55P48-G52 PolarHBondContact O-N 3.34Å; L50-G52 VanDerWaalsContact C-N 3.32Å; L50-G52 PolarHBondContact O-N 2.95Å; G52-L55 PolarHBondContact O-N 3.49Å
53R86.5Confident89.4Confident78 Ų7839.3 Ų39.329%0.29423%0.231SC..Hα-helixtrans-72.4-30.8-178.5-164.8176.2-179.686.6-2.9113.5G49 L50 P103 S109G49-R53 WeakPolarHBondContact O-CB 3.31Å; G49-R53 PolarHBondContact O-N 3.33Å; L50-R53 PolarHBondContact O-N 2.86Å; L50-R53 VanDerWaalsContact O-N 3.09Å; R53-P103 HydrophobicContact CG-CB 3.83Å; R53-P103 WeakPolarHBondContact CG-O 3.09Å; R53-P103 PolarHBondContact NE-O 3.14Å; R53-P103 PolarHBondContact NH2-O 3.26Å; R53-P103 VanDerWaalsContact NH2-O 3.09Å; R53-P103 WeakPolarHBondContact O-CA 3.47Å; R53-S109 PolarHBondContact NH1-OG 3.49Å; R53-S109 VanDerWaalsContact NH1-OG 3.11Å
54F87.1Confident89.4Confident43 Ų4337.6 Ų37.619%0.18922%0.221CC..THydrogen-bonded Turntrans-91-2.1172.2-79.5-99.1000113.1H10 L50 V56 F63 F70H10-F54 AromaticContact NE2-CG 3.91Å; L50-F54 HydrophobicContact CD2-CE2 4.49Å; L50-F54 WeakPolarHBondContact O-CD2 3.39Å; L50-F54 PolarHBondContact O-N 2.86Å; F54-V56 VanDerWaalsContact C-N 3.32Å; F54-V56 HydrophobicContact CB-CG2 3.75Å; F54-V56 PolarHBondContact O-N 3.24Å; F54-F63 HydrophobicContact CB-CE2 4.31Å; F54-F63 HydrophobicContact CB-CZ 4.3Å; F54-F63 HydrophobicContact CD1-CD1 4.44Å; F54-F63 HydrophobicContact CD1-CD2 4.12Å; F54-F63 HydrophobicContact CD1-CE1 4.47Å; F54-F63 HydrophobicContact CD1-CE2 4.14Å; F54-F63 HydrophobicContact CD1-CG 4.26Å; F54-F63 HydrophobicContact CD1-CZ 4.31Å; F54-F70 HydrophobicContact CD1-CD1 4.43Å; F54-F70 HydrophobicContact CD1-CE1 4.47Å; F54-F70 AromaticContact CE1-CD1 3.66Å; F54-F70 HydrophobicContact CE1-CD1 3.66Å; F54-F70 AromaticContact CE1-CE1 3.4Å; F54-F70 HydrophobicContact CE1-CE1 3.4Å; F54-F70 HydrophobicContact CE1-CZ 4.48Å; F54-F70 HydrophobicContact CZ-CD1 4.43Å; F54-F70 AromaticContact CZ-CE1 3.72Å; F54-F70 HydrophobicContact CZ-CE1 3.72Å
55L85Confident89.4Confident57 Ų5737.8 Ų37.830%0.29822%0.223SC..THydrogen-bonded Turntrans48.148.8-177.4-154.179.2000113.2S51 G52 T57 K101 M108 V111S51-L55 WeakPolarHBondContact O-CA 3.41Å; S51-L55 PolarHBondContact O-N 3.22Å; G52-L55 PolarHBondContact O-N 3.49Å; L55-T57 PolarHBondContact O-N 2.84Å; L55-T57 VanDerWaalsContact O-N 3.09Å; L55-K101 HydrophobicContact CD2-CD 4.47Å; L55-M108 HydrophobicContact CB-SD 4.33Å; L55-M108 HydrophobicContact CD1-SD 4.08Å; L55-M108 HydrophobicContact CD2-CE 4.45Å; L55-V111 HydrophobicContact CD1-CG1 3.87Å
56V87.6Confident89.4Confident26 Ų2637.7 Ų37.716%0.15822%0.218CC..  trans-74.1100.3-175.6-174.40000110.2H10 V44 S51 F54 A58 L59 F63H10-V56 HydrophobicContact CB-CG1 4.07Å; H10-V56 HydrophobicContact CB-CG2 4.23Å; V44-V56 HydrophobicContact CG1-CG1 4.45Å; S51-V56 PolarHBondContact O-N 3.05Å; F54-V56 VanDerWaalsContact C-N 3.32Å; F54-V56 HydrophobicContact CB-CG2 3.75Å; F54-V56 PolarHBondContact O-N 3.24Å; V56-A58 VanDerWaalsContact CG1-O 3.27Å; V56-A58 WeakPolarHBondContact CG1-O 3.49Å; V56-L59 HydrophobicContact CG1-CD2 3.92Å; V56-F63 HydrophobicContact CG2-CE2 3.95Å; V56-F63 HydrophobicContact CG2-CZ 4.27Å
57T85Confident89.2Confident136 Ų13638.3 Ų38.383%0.83421%0.212SC*.  trans-90.3-20.5-178.353.70000114.3L55L55-T57 PolarHBondContact O-N 2.84Å; L55-T57 VanDerWaalsContact O-N 3.09Å
58A91Very high89Confident56 Ų5637 Ų3746%0.46322%0.215SC..SBendtrans-135.8162-177.500000110.8V56 T61V56-A58 VanDerWaalsContact CG1-O 3.27Å; V56-A58 WeakPolarHBondContact CG1-O 3.49Å; A58-T61 PolarHBondContact O-OG1 3.2Å
59L92.9Very high89.2Confident43 Ų4338.6 Ų38.623%0.22523%0.225CC..SBendtrans-137.8144.9-179.5-66.4174.9000111.3H10 A12 W14 V44 V56H10-L59 HydrophobicContact CB-CD2 4.42Å; H10-L59 WeakPolarHBondContact O-CD2 3.49Å; A12-L59 HydrophobicContact CB-CD1 3.54Å; W14-L59 HydrophobicContact CH2-CD1 4Å; W14-L59 HydrophobicContact CZ2-CD1 4.26Å; V44-L59 HydrophobicContact CG1-CD2 4.12Å; V44-L59 HydrophobicContact CG2-CD1 3.93Å; V44-L59 HydrophobicContact CG2-CD2 4.14Å; V56-L59 HydrophobicContact CG1-CD2 3.92Å
60P94.5Very high89.4Confident8 Ų839.7 Ų39.75%0.05223%0.229CC..SBendcis-72.6143.3-13.729.3-33000111.7H10 L21 R77H10-P60 WeakPolarHBondContact O-CA 3.11Å; L21-P60 HydrophobicContact CB-CG 4.45Å; L21-P60 HydrophobicContact CD2-CB 3.46Å; L21-P60 VanDerWaalsContact CD2-CB 3.46Å; L21-P60 HydrophobicContact CD2-CG 3.54Å; P60-R77 PolarHBondContact O-NH2 3.3Å
61T93.8Very high89.6Confident22 Ų2238 Ų3814%0.13522%0.218CC..EExtended strand (participates in β ladder)trans-118.4133.7170.7-64.90000109.9H10 A58 F63 I72H10-T61 PolarHBondContact N-O 2.96Å; H10-T61 PolarHBondContact O-N 3.19Å; A58-T61 PolarHBondContact O-OG1 3.2Å; T61-F63 HydrophobicContact CG2-CD2 4.09Å; T61-F63 HydrophobicContact CG2-CE1 4.39Å; T61-F63 HydrophobicContact CG2-CE2 3.54Å; T61-F63 HydrophobicContact CG2-CZ 3.72Å; T61-I72 HydrophobicContact CG2-CG2 4.24Å
62I94.8Very high89.9Confident7 Ų740 Ų404%0.03623%0.227CC..EExtended strand (participates in β ladder)trans-113.2125.1179.9-61.2167000108.2T7 K9 L21 W25 Y73 F82T7-I62 HydrophobicContact CG2-CG2 3.69Å; K9-I62 HydrophobicContact CB-CG1 3.96Å; L21-I62 HydrophobicContact CD1-CD1 4.34Å; L21-I62 HydrophobicContact CD2-CD1 4.08Å; L21-I62 HydrophobicContact CD2-CG1 4.43Å; W25-I62 HydrophobicContact CE3-CD1 4.28Å; W25-I62 HydrophobicContact CH2-CG2 3.78Å; W25-I62 HydrophobicContact CZ3-CD1 3.89Å; W25-I62 HydrophobicContact CZ3-CG1 4.17Å; W25-I62 HydrophobicContact CZ3-CG2 3.87Å; I62-Y73 HydrophobicContact CD1-CD1 4.27Å; I62-Y73 PolarHBondContact O-N 2.93Å; I62-F82 HydrophobicContact CD1-CE1 3.45Å; I62-F82 VanDerWaalsContact CD1-CE1 3.45Å; I62-F82 HydrophobicContact CD1-CZ 3.51Å
63F92.8Very high90.2Very high4 Ų441 Ų412%0.01823%0.23CC..EExtended strand (participates in β ladder)trans-106132172.9-63.6-90.4000110.1T7 A8 H10 F54 V56 T61 R71 I72 L97T7-F63 CarbonylContact C-O 3.59Å; T7-F63 WeakPolarHBondContact CA-O 3.37Å; T7-F63 WeakPolarHBondContact CG2-O 3.49Å; A8-F63 PolarHBondContact N-O 2.8Å; A8-F63 PolarHBondContact O-N 3.33Å; H10-F63 AromaticContact CE1-CD2 3.53Å; H10-F63 AromaticContact CE1-CE2 3.76Å; H10-F63 AromaticContact ND1-CD2 3.37Å; H10-F63 WeakPolarHBondContact ND1-CD2 3.42Å; H10-F63 AromaticContact ND1-CE2 3.54Å; F54-F63 HydrophobicContact CB-CE2 4.31Å; F54-F63 HydrophobicContact CB-CZ 4.3Å; F54-F63 HydrophobicContact CD1-CD1 4.44Å; F54-F63 HydrophobicContact CD1-CD2 4.12Å; F54-F63 HydrophobicContact CD1-CE1 4.47Å; F54-F63 HydrophobicContact CD1-CE2 4.14Å; F54-F63 HydrophobicContact CD1-CG 4.26Å; F54-F63 HydrophobicContact CD1-CZ 4.31Å; V56-F63 HydrophobicContact CG2-CE2 3.95Å; V56-F63 HydrophobicContact CG2-CZ 4.27Å; T61-F63 HydrophobicContact CG2-CD2 4.09Å; T61-F63 HydrophobicContact CG2-CE1 4.39Å; T61-F63 HydrophobicContact CG2-CE2 3.54Å; T61-F63 HydrophobicContact CG2-CZ 3.72Å; F63-R71 CarbonylContact C-O 3.57Å; F63-R71 VanDerWaalsContact CA-O 3.31Å; F63-R71 WeakPolarHBondContact CA-O 3.21Å; F63-I72 HydrophobicContact CD1-CG1 3.9Å; F63-I72 HydrophobicContact CE1-CD1 4.12Å; F63-I72 HydrophobicContact CE1-CG1 3.65Å; F63-L97 HydrophobicContact CD1-CD1 4.11Å; F63-L97 HydrophobicContact CE1-CD1 3.87Å
64H93.6Very high90.4Very high0 Ų044 Ų440%025%0.253CS..EExtended strand (participates in β ladder)trans-101128.1164.7174.6-104.1000109.1S5 T7 F70 R71 F85 W91S5-H64 PolarHBondContact OG-CD2 3.14Å; S5-H64 VanDerWaalsContact OG-CD2 3.29Å; S5-H64 PolarHBondContact OG-NE2 3.08Å; T7-H64 HydrophobicContact CG2-CB 4.4Å; H64-F70 CarbonylContact O-C 3.56Å; H64-R71 PolarHBondContact N-O 3.16Å; H64-R71 PolarHBondContact O-N 3.14Å; H64-F85 HydrophobicContact CB-CE1 3.95Å; H64-F85 HydrophobicContact CB-CZ 4.35Å; H64-F85 AromaticContact CG-CE1 3.97Å; H64-W91 AromaticContact CE1-CD1 3.53Å; H64-W91 AromaticContact CE1-CD2 3.65Å; H64-W91 AromaticContact CE1-CG 3.31Å; H64-W91 AromaticContact CE1-NE1 3.98Å; H64-W91 WeakPolarHBondContact ND1-CB 3.47Å; H64-W91 AromaticContact ND1-CG 3.69Å; H64-W91 AromaticContact NE2-CD1 3.92Å
65V91.5Very high90.6Very high23 Ų2343.5 Ų43.514%0.13926%0.259CS..EExtended strand (participates in β ladder)trans-123.3119.5-175.9-166.60000107.6Q6 F70Q6-V65 HydrophobicContact CB-CB 4.21Å; Q6-V65 PolarHBondContact N-O 3.44Å; Q6-V65 PolarHBondContact O-N 2.95Å; V65-F70 HydrophobicContact CB-CD1 4.25Å; V65-F70 HydrophobicContact CB-CE1 4.21Å; V65-F70 HydrophobicContact CG1-CD1 3.93Å; V65-F70 HydrophobicContact CG1-CD2 4.31Å; V65-F70 HydrophobicContact CG1-CE1 3.65Å; V65-F70 HydrophobicContact CG1-CE2 4.08Å; V65-F70 HydrophobicContact CG1-CG 4.23Å; V65-F70 HydrophobicContact CG1-CZ 3.73Å; V65-F70 HydrophobicContact CG2-CD1 3.38Å; V65-F70 HydrophobicContact CG2-CE1 3.45Å; V65-F70 VanDerWaalsContact CG2-CE1 3.45Å; V65-F70 HydrophobicContact CG2-CG 4.26Å; V65-F70 HydrophobicContact CG2-CZ 4.37Å
66K90.6Very high91Very high49 Ų4943.8 Ų43.821%0.21327%0.265CS..EExtended strand (participates in β ladder)trans-140.1131.2173.1-168.3-174.8176.2-80.10108.7G68 V69 W91K66-G68 PolarHBondContact O-N 3.42Å; K66-V69 PolarHBondContact N-O 2.91Å; K66-V69 VanDerWaalsContact N-O 3.14Å; K66-V69 WeakPolarHBondContact O-CB 3.19Å; K66-V69 PolarHBondContact O-N 3.17Å; K66-W91 HydrophobicContact CD-CH2 3.65Å; K66-W91 HydrophobicContact CD-CZ2 3.53Å; K66-W91 HydrophobicContact CD-CZ3 4.2Å
67D87.6Confident91.2Very high80 Ų8048.4 Ų48.443%0.42828%0.28SS..THydrogen-bonded Turntrans5635.9179.1-49.5-41.3000113.1H3 V69H3-D67 WeakPolarHBondContact CB-OD1 3.42Å; H3-D67 IonicContact CE1-OD1 3.87Å; H3-D67 IonicContact CG-OD1 3.44Å; H3-D67 IonicContact ND1-OD1 2.73Å; H3-D67 PolarHBondContact ND1-OD1 2.73Å; D67-V69 PolarHBondContact O-N 3.21Å
68G85.5Confident91.6Very high43 Ų4346.2 Ų46.244%0.44326%0.263SS..THydrogen-bonded Turntrans77.3-7.3-174.600000114.8K66 F70 H102K66-G68 PolarHBondContact O-N 3.42Å; G68-F70 WeakPolarHBondContact O-CD2 3.46Å; G68-F70 WeakPolarHBondContact O-CE2 2.85Å; G68-H102 PolarHBondContact O-NE2 3.48Å; G68-H102 VanDerWaalsContact O-NE2 3.09Å
69V88.3Confident91.7Very high54 Ų5446.1 Ų46.133%0.32725%0.252SS..EExtended strand (participates in β ladder)trans-91.1115-178.2-171.50000110.8K66 D67 R71 P96K66-V69 PolarHBondContact N-O 2.91Å; K66-V69 VanDerWaalsContact N-O 3.14Å; K66-V69 WeakPolarHBondContact O-CB 3.19Å; K66-V69 PolarHBondContact O-N 3.17Å; D67-V69 PolarHBondContact O-N 3.21Å; V69-R71 PolarHBondContact O-NH1 3.21Å; V69-R71 VanDerWaalsContact O-NH1 3.15Å; V69-P96 HydrophobicContact CG1-CB 3.45Å; V69-P96 VanDerWaalsContact CG1-CB 3.45Å
70F90.3Very high91.8Very high25 Ų2549.5 Ų49.511%0.1127%0.266CS..EExtended strand (participates in β ladder)trans-87.6138179.9-63.8-99.6000111.5F54 H64 V65 G68 P96 L97 H102 P103F54-F70 HydrophobicContact CD1-CD1 4.43Å; F54-F70 HydrophobicContact CD1-CE1 4.47Å; F54-F70 AromaticContact CE1-CD1 3.66Å; F54-F70 HydrophobicContact CE1-CD1 3.66Å; F54-F70 AromaticContact CE1-CE1 3.4Å; F54-F70 HydrophobicContact CE1-CE1 3.4Å; F54-F70 HydrophobicContact CE1-CZ 4.48Å; F54-F70 HydrophobicContact CZ-CD1 4.43Å; F54-F70 AromaticContact CZ-CE1 3.72Å; F54-F70 HydrophobicContact CZ-CE1 3.72Å; H64-F70 CarbonylContact O-C 3.56Å; V65-F70 HydrophobicContact CB-CD1 4.25Å; V65-F70 HydrophobicContact CB-CE1 4.21Å; V65-F70 HydrophobicContact CG1-CD1 3.93Å; V65-F70 HydrophobicContact CG1-CD2 4.31Å; V65-F70 HydrophobicContact CG1-CE1 3.65Å; V65-F70 HydrophobicContact CG1-CE2 4.08Å; V65-F70 HydrophobicContact CG1-CG 4.23Å; V65-F70 HydrophobicContact CG1-CZ 3.73Å; V65-F70 HydrophobicContact CG2-CD1 3.38Å; V65-F70 HydrophobicContact CG2-CE1 3.45Å; V65-F70 VanDerWaalsContact CG2-CE1 3.45Å; V65-F70 HydrophobicContact CG2-CG 4.26Å; V65-F70 HydrophobicContact CG2-CZ 4.37Å; G68-F70 WeakPolarHBondContact O-CD2 3.46Å; G68-F70 WeakPolarHBondContact O-CE2 2.85Å; F70-P96 WeakPolarHBondContact O-CA 3.45Å; F70-L97 HydrophobicContact CB-CB 4.44Å; F70-L97 HydrophobicContact CB-CD1 3.72Å; F70-L97 HydrophobicContact CB-CG 4.26Å; F70-L97 PolarHBondContact O-N 2.67Å; F70-H102 AromaticContact CD2-CD2 3.62Å; F70-H102 AromaticContact CD2-NE2 3.31Å; F70-H102 VanDerWaalsContact CD2-NE2 3.31Å; F70-H102 WeakPolarHBondContact CD2-NE2 3.23Å; F70-H102 AromaticContact CE2-CE1 3.9Å; F70-H102 AromaticContact CE2-NE2 3.31Å; F70-H102 VanDerWaalsContact CE2-NE2 3.31Å; F70-H102 WeakPolarHBondContact CE2-NE2 3.42Å; F70-P103 HydrophobicContact CD1-CG 4.3Å; F70-P103 HydrophobicContact CD2-CG 4.03Å; F70-P103 HydrophobicContact CE1-CG 3.86Å; F70-P103 HydrophobicContact CE2-CG 3.54Å; F70-P103 HydrophobicContact CG-CG 4.41Å; F70-P103 HydrophobicContact CZ-CG 3.46Å; F70-P103 VanDerWaalsContact CZ-CG 3.46Å
71R92Very high91.8Very high31 Ų3151.2 Ų51.212%0.11728%0.275CS..EExtended strand (participates in β ladder)trans-137.6145.2176.4-68.5169.7-173.879.1-2.2109.7F63 H64 V69 W91 I94F63-R71 CarbonylContact C-O 3.57Å; F63-R71 VanDerWaalsContact CA-O 3.31Å; F63-R71 WeakPolarHBondContact CA-O 3.21Å; H64-R71 PolarHBondContact N-O 3.16Å; H64-R71 PolarHBondContact O-N 3.14Å; V69-R71 PolarHBondContact O-NH1 3.21Å; V69-R71 VanDerWaalsContact O-NH1 3.15Å; R71-W91 WeakPolarHBondContact CD-O 3.43Å; R71-W91 PolarHBondContact NE-O 3.37Å; R71-W91 VanDerWaalsContact NE-O 3.09Å; R71-I94 HydrophobicContact CB-CG2 4.04Å; R71-I94 VanDerWaalsContact CD-O 3.31Å; R71-I94 WeakPolarHBondContact CD-O 3.43Å; R71-I94 HydrophobicContact CG-CG2 4.36Å; R71-I94 PolarHBondContact NE-O 3.33Å
72I91.5Very high91.8Very high55 Ų5550.3 Ų50.328%0.28227%0.269SS..EExtended strand (participates in β ladder)trans-90.5133.1173.6-61.9177.7000109T61 F63 N74 I94 L97T61-I72 HydrophobicContact CG2-CG2 4.24Å; F63-I72 HydrophobicContact CD1-CG1 3.9Å; F63-I72 HydrophobicContact CE1-CD1 4.12Å; F63-I72 HydrophobicContact CE1-CG1 3.65Å; I72-N74 WeakPolarHBondContact CG2-OD1 3.25Å; I72-I94 WeakPolarHBondContact O-CG2 3.37Å; I72-L97 HydrophobicContact CD1-CD2 3.84Å; I72-L97 HydrophobicContact CG1-CD2 3.96Å
73Y93.2Very high91.8Very high20 Ų2051.2 Ų51.28%0.07827%0.274CS..EExtended strand (participates in β ladder)trans-88120.5172.3177.8-86.4000110.6I62 G75 P76 F82 F85I62-Y73 HydrophobicContact CD1-CD1 4.27Å; I62-Y73 PolarHBondContact O-N 2.93Å; Y73-G75 VanDerWaalsContact CE1-C 3.4Å; Y73-G75 VanDerWaalsContact CE1-CA 3.43Å; Y73-G75 VanDerWaalsContact CE1-N 3.26Å; Y73-G75 WeakPolarHBondContact CE1-O 3.48Å; Y73-G75 VanDerWaalsContact CZ-CA 3.47Å; Y73-G75 WeakPolarHBondContact OH-CA 3.37Å; Y73-P76 VanDerWaalsContact CE1-O 3.29Å; Y73-P76 WeakPolarHBondContact CE1-O 3.19Å; Y73-P76 PolarHBondContact OH-O 2.9Å; Y73-F82 HydrophobicContact CD1-CD1 4.48Å; Y73-F82 AromaticContact CD1-CE1 3.88Å; Y73-F82 HydrophobicContact CD1-CE1 3.88Å; Y73-F82 AromaticContact CE1-CD1 3.99Å; Y73-F82 HydrophobicContact CE1-CD1 3.99Å; Y73-F82 AromaticContact CE1-CE1 3.47Å; Y73-F82 HydrophobicContact CE1-CE1 3.47Å; Y73-F82 VanDerWaalsContact CE1-CE1 3.47Å; Y73-F82 HydrophobicContact CE1-CZ 4.49Å; Y73-F82 HydrophobicContact CE2-CD1 4.37Å; Y73-F82 AromaticContact CZ-CD1 3.92Å; Y73-F82 AromaticContact CZ-CE1 3.88Å; Y73-F85 HydrophobicContact CD2-CB 4.48Å; Y73-F85 AromaticContact CD2-CD1 3.89Å; Y73-F85 HydrophobicContact CD2-CD1 3.89Å; Y73-F85 AromaticContact CD2-CD2 3.62Å; Y73-F85 HydrophobicContact CD2-CD2 3.62Å; Y73-F85 AromaticContact CD2-CE1 3.92Å; Y73-F85 HydrophobicContact CD2-CE1 3.92Å; Y73-F85 AromaticContact CD2-CE2 3.7Å; Y73-F85 HydrophobicContact CD2-CE2 3.7Å; Y73-F85 AromaticContact CD2-CG 3.73Å; Y73-F85 HydrophobicContact CD2-CG 3.73Å; Y73-F85 AromaticContact CD2-CZ 3.82Å; Y73-F85 HydrophobicContact CD2-CZ 3.82Å; Y73-F85 HydrophobicContact CE2-CB 3.84Å; Y73-F85 HydrophobicContact CE2-CD1 4.1Å; Y73-F85 AromaticContact CE2-CD2 3.52Å; Y73-F85 HydrophobicContact CE2-CD2 3.52Å; Y73-F85 HydrophobicContact CE2-CE2 4.08Å; Y73-F85 AromaticContact CE2-CG 3.54Å; Y73-F85 HydrophobicContact CE2-CG 3.54Å
74N90.5Very high91.8Very high142 Ų14251.8 Ų51.876%0.75928%0.28SS*.  trans-114.215.7-179.1-67.8-26.5000113.4I72I72-N74 WeakPolarHBondContact CG2-OD1 3.25Å
75G91.4Very high91.9Very high32 Ų3252.2 Ų52.233%0.3328%0.281SS..SBendtrans-86.8-172.7-178.700000114.6Y73Y73-G75 VanDerWaalsContact CE1-C 3.4Å; Y73-G75 VanDerWaalsContact CE1-CA 3.43Å; Y73-G75 VanDerWaalsContact CE1-N 3.26Å; Y73-G75 WeakPolarHBondContact CE1-O 3.48Å; Y73-G75 VanDerWaalsContact CZ-CA 3.47Å; Y73-G75 WeakPolarHBondContact OH-CA 3.37Å
76P93.3Very high91.9Very high64 Ų6451.8 Ų51.842%0.41628%0.279SS..  trans-56.2151.8174.2-24.235.9000112.7Y73 D78 D81Y73-P76 VanDerWaalsContact CE1-O 3.29Å; Y73-P76 WeakPolarHBondContact CE1-O 3.19Å; Y73-P76 PolarHBondContact OH-O 2.9Å; P76-D78 VanDerWaalsContact C-N 3.26Å; P76-D78 PolarHBondContact O-N 3.08Å; P76-D81 HydrophobicContact CB-CB 4.17Å; P76-D81 HydrophobicContact CG-CB 4.44Å; P76-D81 WeakPolarHBondContact CG-OD2 3.33Å
77R92Very high92Very high123 Ų12355.6 Ų55.646%0.46430%0.297SS..SBendtrans-9528.5-172-74.7-179.7179.7158-2.1113.2L21 A24 P60L21-R77 HydrophobicContact CD1-CB 3.99Å; L21-R77 HydrophobicContact CD1-CG 4.3Å; A24-R77 WeakPolarHBondContact CB-O 3.43Å; P60-R77 PolarHBondContact O-NH2 3.3Å
78D93.3Very high92.3Very high90 Ų9058.8 Ų58.848%0.48131%0.307SS..SBendtrans-105.5149.5-169.9-57.6-62.4000112.1P76 E80 D81 F82P76-D78 VanDerWaalsContact C-N 3.26Å; P76-D78 PolarHBondContact O-N 3.08Å; D78-E80 VanDerWaalsContact C-N 3.29Å; D78-E80 PolarHBondContact O-N 3.38Å; D78-D81 PolarHBondContact O-N 2.87Å; D78-F82 WeakPolarHBondContact O-CD2 3.37Å; D78-F82 WeakPolarHBondContact O-CG 3.42Å; D78-F82 PolarHBondContact O-N 2.99Å; D78-F82 VanDerWaalsContact O-N 3.1Å
79K92.7Very high92.6Very high54 Ų5462.8 Ų62.824%0.23531%0.313CS..Hα-helixtrans-55-47-178.1158.5177.7156.4-88.30111.3D81 F82 I83K79-D81 VanDerWaalsContact C-N 3.32Å; K79-D81 PolarHBondContact O-N 3.2Å; K79-F82 PolarHBondContact O-N 3.49Å; K79-I83 HydrophobicContact CD-CD1 4.47Å; K79-I83 HydrophobicContact CG-CD1 3.83Å; K79-I83 WeakPolarHBondContact O-CG1 3.12Å; K79-I83 PolarHBondContact O-N 3.37Å
80E94.5Very high92.8Very high113 Ų11363.8 Ų63.853%0.52831%0.313SS..Hα-helixtrans-64.2-38.5-174.3-70.558.8-134.400111D78 A84D78-E80 VanDerWaalsContact C-N 3.29Å; D78-E80 PolarHBondContact O-N 3.38Å; E80-A84 VanDerWaalsContact O-CB 3.27Å; E80-A84 WeakPolarHBondContact O-CB 3.4Å; E80-A84 PolarHBondContact O-N 2.79Å
81D94.7Very high92.8Very high45 Ų4564.4 Ų64.424%0.24131%0.314CS..Hα-helixtrans-75.2-30.6176.8-101.8-58.3000113.3P76 D78 K79 F85 K90P76-D81 HydrophobicContact CB-CB 4.17Å; P76-D81 HydrophobicContact CG-CB 4.44Å; P76-D81 WeakPolarHBondContact CG-OD2 3.33Å; D78-D81 PolarHBondContact O-N 2.87Å; K79-D81 VanDerWaalsContact C-N 3.32Å; K79-D81 PolarHBondContact O-N 3.2Å; D81-F85 WeakPolarHBondContact O-CB 3.46Å; D81-F85 PolarHBondContact O-N 2.9Å; D81-K90 IonicContact OD1-NZ 3.05Å; D81-K90 PolarHBondContact OD1-NZ 3.22Å
82F94.4Very high92.7Very high3 Ų367.1 Ų67.11%0.01333%0.334CS..Hα-helixtrans-66-43.8169.7-63.2-47.6000112L21 W25 F28 I62 Y73 D78 K79 F85 V86L21-F82 HydrophobicContact CD1-CE2 3.78Å; L21-F82 HydrophobicContact CD1-CZ 3.63Å; W25-F82 HydrophobicContact CE3-CD2 4.37Å; W25-F82 HydrophobicContact CE3-CE2 4.1Å; W25-F82 HydrophobicContact CE3-CZ 4.26Å; W25-F82 HydrophobicContact CZ3-CD1 4.5Å; W25-F82 HydrophobicContact CZ3-CE1 4.37Å; W25-F82 HydrophobicContact CZ3-CZ 4.4Å; F28-F82 HydrophobicContact CB-CB 4.37Å; F28-F82 HydrophobicContact CB-CD2 4.2Å; F28-F82 HydrophobicContact CD1-CB 4.1Å; F28-F82 HydrophobicContact CD1-CD2 4.43Å; F28-F82 HydrophobicContact CD1-CG 4.39Å; F28-F82 HydrophobicContact CD2-CB 3.49Å; F28-F82 VanDerWaalsContact CD2-CB 3.49Å; F28-F82 HydrophobicContact CE1-CB 4.23Å; F28-F82 HydrophobicContact CE2-CB 3.64Å; F28-F82 HydrophobicContact CG-CB 3.72Å; F28-F82 HydrophobicContact CG-CD2 4.24Å; F28-F82 HydrophobicContact CG-CG 4.3Å; F28-F82 HydrophobicContact CZ-CB 4.01Å; I62-F82 HydrophobicContact CD1-CE1 3.45Å; I62-F82 VanDerWaalsContact CD1-CE1 3.45Å; I62-F82 HydrophobicContact CD1-CZ 3.51Å; Y73-F82 HydrophobicContact CD1-CD1 4.48Å; Y73-F82 AromaticContact CD1-CE1 3.88Å; Y73-F82 HydrophobicContact CD1-CE1 3.88Å; Y73-F82 AromaticContact CE1-CD1 3.99Å; Y73-F82 HydrophobicContact CE1-CD1 3.99Å; Y73-F82 AromaticContact CE1-CE1 3.47Å; Y73-F82 HydrophobicContact CE1-CE1 3.47Å; Y73-F82 VanDerWaalsContact CE1-CE1 3.47Å; Y73-F82 HydrophobicContact CE1-CZ 4.49Å; Y73-F82 HydrophobicContact CE2-CD1 4.37Å; Y73-F82 AromaticContact CZ-CD1 3.92Å; Y73-F82 AromaticContact CZ-CE1 3.88Å; D78-F82 WeakPolarHBondContact O-CD2 3.37Å; D78-F82 WeakPolarHBondContact O-CG 3.42Å; D78-F82 PolarHBondContact O-N 2.99Å; D78-F82 VanDerWaalsContact O-N 3.1Å; K79-F82 PolarHBondContact O-N 3.49Å; F82-F85 PolarHBondContact O-N 2.64Å; F82-V86 PolarHBondContact O-N 3.07Å
83I93.9Very high92.7Very high26 Ų2671.4 Ų71.413%0.13336%0.356CS..Hα-helixtrans-60.1-54.4174.4-68170.6000109.5F28 W31 L35 K79 F85 V86 E87F28-I83 HydrophobicContact CD2-CG1 4.04Å; F28-I83 HydrophobicContact CE2-CG1 4.49Å; W31-I83 HydrophobicContact CB-CD1 4.49Å; W31-I83 HydrophobicContact CD2-CD1 4Å; W31-I83 HydrophobicContact CE3-CD1 4.48Å; W31-I83 HydrophobicContact CG-CD1 3.99Å; L35-I83 HydrophobicContact CD1-CG1 4.48Å; L35-I83 HydrophobicContact CD1-CG2 4.4Å; L35-I83 HydrophobicContact CD2-CG2 4.23Å; K79-I83 HydrophobicContact CD-CD1 4.47Å; K79-I83 HydrophobicContact CG-CD1 3.83Å; K79-I83 WeakPolarHBondContact O-CG1 3.12Å; K79-I83 PolarHBondContact O-N 3.37Å; I83-F85 PolarHBondContact O-N 2.9Å; I83-V86 PolarHBondContact O-N 3.09Å; I83-E87 VanDerWaalsContact O-CB 3.29Å; I83-E87 WeakPolarHBondContact O-CB 3.41Å; I83-E87 PolarHBondContact O-N 3.3Å
84A94Very high92.5Very high16 Ų1672.7 Ų72.713%0.13236%0.364CS..Hα-helixtrans-64-26.4-179.400000113.5E80 K88E80-A84 VanDerWaalsContact O-CB 3.27Å; E80-A84 WeakPolarHBondContact O-CB 3.4Å; E80-A84 PolarHBondContact O-N 2.79Å; A84-K88 HydrophobicContact CB-CD 4.46Å; A84-K88 WeakPolarHBondContact O-CB 3.29Å; A84-K88 WeakPolarHBondContact O-CG 3.36Å; A84-K88 PolarHBondContact O-N 2.88Å; A84-K88 VanDerWaalsContact O-N 3.13Å
85F94.2Very high92.4Very high8 Ų872.5 Ų72.54%0.03536%0.363CS..Hα-helixtrans-67.9-42.8174.9173.5-99.2000112.4H64 Y73 D81 F82 I83 K89 K90 W91 I94H64-F85 HydrophobicContact CB-CE1 3.95Å; H64-F85 HydrophobicContact CB-CZ 4.35Å; H64-F85 AromaticContact CG-CE1 3.97Å; Y73-F85 HydrophobicContact CD2-CB 4.48Å; Y73-F85 AromaticContact CD2-CD1 3.89Å; Y73-F85 HydrophobicContact CD2-CD1 3.89Å; Y73-F85 AromaticContact CD2-CD2 3.62Å; Y73-F85 HydrophobicContact CD2-CD2 3.62Å; Y73-F85 AromaticContact CD2-CE1 3.92Å; Y73-F85 HydrophobicContact CD2-CE1 3.92Å; Y73-F85 AromaticContact CD2-CE2 3.7Å; Y73-F85 HydrophobicContact CD2-CE2 3.7Å; Y73-F85 AromaticContact CD2-CG 3.73Å; Y73-F85 HydrophobicContact CD2-CG 3.73Å; Y73-F85 AromaticContact CD2-CZ 3.82Å; Y73-F85 HydrophobicContact CD2-CZ 3.82Å; Y73-F85 HydrophobicContact CE2-CB 3.84Å; Y73-F85 HydrophobicContact CE2-CD1 4.1Å; Y73-F85 AromaticContact CE2-CD2 3.52Å; Y73-F85 HydrophobicContact CE2-CD2 3.52Å; Y73-F85 HydrophobicContact CE2-CE2 4.08Å; Y73-F85 AromaticContact CE2-CG 3.54Å; Y73-F85 HydrophobicContact CE2-CG 3.54Å; D81-F85 WeakPolarHBondContact O-CB 3.46Å; D81-F85 PolarHBondContact O-N 2.9Å; F82-F85 PolarHBondContact O-N 2.64Å; I83-F85 PolarHBondContact O-N 2.9Å; F85-K89 CarbonylContact O-C 3.59Å; F85-K89 PolarHBondContact O-N 3.44Å; F85-K90 HydrophobicContact CD2-CB 3.55Å; F85-K90 HydrophobicContact CD2-CD 4.38Å; F85-K90 HydrophobicContact CE2-CB 4.04Å; F85-K90 HydrophobicContact CG-CB 4.35Å; F85-K90 PolarHBondContact O-N 3.32Å; F85-W91 HydrophobicContact CE1-CB 3.93Å; F85-W91 HydrophobicContact CE2-CB 4.07Å; F85-W91 HydrophobicContact CZ-CB 3.46Å; F85-W91 VanDerWaalsContact CZ-CB 3.46Å; F85-I94 HydrophobicContact CE2-CD1 3.55Å; F85-I94 HydrophobicContact CE2-CG1 4.41Å; F85-I94 HydrophobicContact CZ-CD1 4Å
86V92.6Very high92.3Very high14 Ų1474.2 Ų74.29%0.08537%0.368CS..Hα-helixtrans-77.1-50.7179.1175.50000110.6F28 L35 I37 F82 I83 K89F28-V86 HydrophobicContact CZ-CG2 4.31Å; L35-V86 HydrophobicContact CB-CG1 4.18Å; L35-V86 HydrophobicContact CD2-CB 3.62Å; L35-V86 HydrophobicContact CD2-CG1 3.66Å; I37-V86 HydrophobicContact CD1-CG1 4.28Å; I37-V86 HydrophobicContact CD1-CG2 4.08Å; I37-V86 HydrophobicContact CG2-CG1 3.57Å; F82-V86 PolarHBondContact O-N 3.07Å; I83-V86 PolarHBondContact O-N 3.09Å; V86-K89 WeakPolarHBondContact O-CA 3.48Å; V86-K89 PolarHBondContact O-N 3.1Å; V86-K89 VanDerWaalsContact O-N 3.09Å
87E92.3Very high91.9Very high130 Ų13072.7 Ų72.761%0.60736%0.356SS*.Hα-helixtrans-59.9-52.9-177.3-177.9-171.7-139.900111.8L35 I83 K89L35-E87 HydrophobicContact CD2-CB 4.37Å; I83-E87 VanDerWaalsContact O-CB 3.29Å; I83-E87 WeakPolarHBondContact O-CB 3.41Å; I83-E87 PolarHBondContact O-N 3.3Å; E87-K89 PolarHBondContact O-N 3.32Å; E87-K89 VanDerWaalsContact O-N 3.17Å
88K93.7Very high91.3Very high147 Ų14768.9 Ų68.964%0.63935%0.348SS*.THydrogen-bonded Turntrans-79.17.6178.1-52.1-178.6179.5-179.80112.8A84 K90A84-K88 HydrophobicContact CB-CD 4.46Å; A84-K88 WeakPolarHBondContact O-CB 3.29Å; A84-K88 WeakPolarHBondContact O-CG 3.36Å; A84-K88 PolarHBondContact O-N 2.88Å; A84-K88 VanDerWaalsContact O-N 3.13Å; K88-K90 HydrophobicContact CB-CG 4.34Å; K88-K90 PolarHBondContact O-N 2.89Å; K88-K90 VanDerWaalsContact O-N 3.1Å
89K92.2Very high90.2Very high127 Ų12769.6 Ų69.655%0.55236%0.36SS*.THydrogen-bonded Turntrans50.333.7179.8-57.8172.8-174.5168.70113.7F85 V86 E87 W91 T92F85-K89 CarbonylContact O-C 3.59Å; F85-K89 PolarHBondContact O-N 3.44Å; V86-K89 WeakPolarHBondContact O-CA 3.48Å; V86-K89 PolarHBondContact O-N 3.1Å; V86-K89 VanDerWaalsContact O-N 3.09Å; E87-K89 PolarHBondContact O-N 3.32Å; E87-K89 VanDerWaalsContact O-N 3.17Å; K89-W91 HydrophobicContact CB-CZ2 4.22Å; K89-W91 HydrophobicContact CD-CZ2 4.49Å; K89-W91 HydrophobicContact CG-CZ2 4.28Å; K89-W91 PolarHBondContact O-N 3.23Å; K89-T92 HydrophobicContact CB-CG2 4.33Å; K89-T92 WeakPolarHBondContact O-CG2 3.39Å; K89-T92 PolarHBondContact O-N 3.34Å; K89-T92 PolarHBondContact O-OG1 2.91Å
90K92.9Very high89.3Confident75 Ų7574.8 Ų74.833%0.32638%0.378SS..G310 helixtrans-54.3-22-178.8-64.3-175.1-169.9173.10112.6D81 F85 K88 T92 I93D81-K90 IonicContact OD1-NZ 3.05Å; D81-K90 PolarHBondContact OD1-NZ 3.22Å; F85-K90 HydrophobicContact CD2-CB 3.55Å; F85-K90 HydrophobicContact CD2-CD 4.38Å; F85-K90 HydrophobicContact CE2-CB 4.04Å; F85-K90 HydrophobicContact CG-CB 4.35Å; F85-K90 PolarHBondContact O-N 3.32Å; K88-K90 HydrophobicContact CB-CG 4.34Å; K88-K90 PolarHBondContact O-N 2.89Å; K88-K90 VanDerWaalsContact O-N 3.1Å; K90-T92 PolarHBondContact O-N 2.91Å; K90-T92 VanDerWaalsContact O-N 3.17Å; K90-I93 PolarHBondContact O-N 2.95Å
91W89.3Confident88.5Confident37 Ų3773.6 Ų73.614%0.1437%0.371CS..G310 helixtrans-58.2-16.9171.960.2-100.2000115.1H64 K66 R71 F85 K89 I93H64-W91 AromaticContact CE1-CD1 3.53Å; H64-W91 AromaticContact CE1-CD2 3.65Å; H64-W91 AromaticContact CE1-CG 3.31Å; H64-W91 AromaticContact CE1-NE1 3.98Å; H64-W91 WeakPolarHBondContact ND1-CB 3.47Å; H64-W91 AromaticContact ND1-CG 3.69Å; H64-W91 AromaticContact NE2-CD1 3.92Å; K66-W91 HydrophobicContact CD-CH2 3.65Å; K66-W91 HydrophobicContact CD-CZ2 3.53Å; K66-W91 HydrophobicContact CD-CZ3 4.2Å; R71-W91 WeakPolarHBondContact CD-O 3.43Å; R71-W91 PolarHBondContact NE-O 3.37Å; R71-W91 VanDerWaalsContact NE-O 3.09Å; F85-W91 HydrophobicContact CE1-CB 3.93Å; F85-W91 HydrophobicContact CE2-CB 4.07Å; F85-W91 HydrophobicContact CZ-CB 3.46Å; F85-W91 VanDerWaalsContact CZ-CB 3.46Å; K89-W91 HydrophobicContact CB-CZ2 4.22Å; K89-W91 HydrophobicContact CD-CZ2 4.49Å; K89-W91 HydrophobicContact CG-CZ2 4.28Å; K89-W91 PolarHBondContact O-N 3.23Å; W91-I93 VanDerWaalsContact C-N 3.26Å; W91-I93 PolarHBondContact O-N 3.01Å
92T89.8Confident87.6Confident89 Ų8973.9 Ų73.955%0.54637%0.371SS..G310 helixtrans-68.9-25.5175.3540000113K89 K90K89-T92 HydrophobicContact CB-CG2 4.33Å; K89-T92 WeakPolarHBondContact O-CG2 3.39Å; K89-T92 PolarHBondContact O-N 3.34Å; K89-T92 PolarHBondContact O-OG1 2.91Å; K90-T92 PolarHBondContact O-N 2.91Å; K90-T92 VanDerWaalsContact O-N 3.17Å
93I90.7Very high86.6Confident144 Ų14474.1 Ų74.174%0.73837%0.373SS*.THydrogen-bonded Turntrans-88.4-20.7-178.1-53.2165.8000110.9K90 W91K90-I93 PolarHBondContact O-N 2.95Å; W91-I93 VanDerWaalsContact C-N 3.26Å; W91-I93 PolarHBondContact O-N 3.01Å
94I90.4Very high85.8Confident48 Ų4876.9 Ų76.925%0.24639%0.394CS..SBendtrans-82.8124.2179.8-59.3-171.2000109.9R71 I72 F85R71-I94 HydrophobicContact CB-CG2 4.04Å; R71-I94 VanDerWaalsContact CD-O 3.31Å; R71-I94 WeakPolarHBondContact CD-O 3.43Å; R71-I94 HydrophobicContact CG-CG2 4.36Å; R71-I94 PolarHBondContact NE-O 3.33Å; I72-I94 WeakPolarHBondContact O-CG2 3.37Å; F85-I94 HydrophobicContact CE2-CD1 3.55Å; F85-I94 HydrophobicContact CE2-CG1 4.41Å; F85-I94 HydrophobicContact CZ-CD1 4Å
95D87.8Confident85.2Confident137 Ų13777.3 Ų77.373%0.73340%0.397SS*.PPolyproline II helixtrans-55.7137.7175.9-70.1-53000112.2
96P88.7Confident84.8Confident68 Ų6883.9 Ų83.944%0.44243%0.43SS..PPolyproline II helixtrans-66.8153.1174.431.9-36.2000110.9V69 F70V69-P96 HydrophobicContact CG1-CB 3.45Å; V69-P96 VanDerWaalsContact CG1-CB 3.45Å; F70-P96 WeakPolarHBondContact O-CA 3.45Å
97L85.3Confident84.6Confident32 Ų3288.4 Ų88.417%0.16845%0.451CS..PPolyproline II helixtrans-57.6135.1169.6-75178.6000110.2F63 F70 I72F63-L97 HydrophobicContact CD1-CD1 4.11Å; F63-L97 HydrophobicContact CE1-CD1 3.87Å; F70-L97 HydrophobicContact CB-CB 4.44Å; F70-L97 HydrophobicContact CB-CD1 3.72Å; F70-L97 HydrophobicContact CB-CG 4.26Å; F70-L97 PolarHBondContact O-N 2.67Å; I72-L97 HydrophobicContact CD1-CD2 3.84Å; I72-L97 HydrophobicContact CG1-CD2 3.96Å
98P79.6Confident84.2Confident44 Ų4482.4 Ų82.429%0.28642%0.423SS..PPolyproline II helixtrans-62.7142.5179.526.2-34.6000110.5W100 K101 H102P98-W100 HydrophobicContact CB-CD2 3.86Å; P98-W100 HydrophobicContact CB-CE3 3.81Å; P98-W100 HydrophobicContact CB-CH2 3.56Å; P98-W100 HydrophobicContact CB-CZ2 3.62Å; P98-W100 HydrophobicContact CB-CZ3 3.66Å; P98-W100 HydrophobicContact CG-CD2 4.24Å; P98-W100 HydrophobicContact CG-CH2 4.1Å; P98-W100 HydrophobicContact CG-CZ2 3.65Å; P98-W100 PolarHBondContact O-N 3.33Å; P98-K101 HydrophobicContact CG-CB 4.39Å; P98-K101 HydrophobicContact CG-CD 4.29Å; P98-K101 HydrophobicContact CG-CG 4.32Å; P98-K101 WeakPolarHBondContact O-CA 3.29Å; P98-K101 PolarHBondContact O-N 3.25Å; P98-H102 PolarHBondContact O-N 2.93Å
99S71.3Confident83.9Confident104 Ų10477.4 Ų77.473%0.72741%0.406SS*.G310 helixtrans-55.2-26.8-167.3-50.80000115H102S99-H102 WeakPolarHBondContact O-CB 3.49Å; S99-H102 PolarHBondContact O-N 3.23Å
100W72.1Confident83.8Confident164 Ų16475.9 Ų75.962%0.62141%0.407SS*.G310 helixtrans-69.9-32.2175.364.886000113.4P98 H102 S105P98-W100 HydrophobicContact CB-CD2 3.86Å; P98-W100 HydrophobicContact CB-CE3 3.81Å; P98-W100 HydrophobicContact CB-CH2 3.56Å; P98-W100 HydrophobicContact CB-CZ2 3.62Å; P98-W100 HydrophobicContact CB-CZ3 3.66Å; P98-W100 HydrophobicContact CG-CD2 4.24Å; P98-W100 HydrophobicContact CG-CH2 4.1Å; P98-W100 HydrophobicContact CG-CZ2 3.65Å; P98-W100 PolarHBondContact O-N 3.33Å; W100-H102 VanDerWaalsContact C-N 3.26Å; W100-S105 PolarHBondContact O-OG 2.8Å
101K79.6Confident83.5Confident88 Ų8873.8 Ų73.838%0.38340%0.401SS..G310 helixtrans-81.7-0171.5-69.1-170.8180-178.70113.3L55 P98L55-K101 HydrophobicContact CD2-CD 4.47Å; P98-K101 HydrophobicContact CG-CB 4.39Å; P98-K101 HydrophobicContact CG-CD 4.29Å; P98-K101 HydrophobicContact CG-CG 4.32Å; P98-K101 WeakPolarHBondContact O-CA 3.29Å; P98-K101 PolarHBondContact O-N 3.25Å
102H74.2Confident83.5Confident50 Ų5072.7 Ų72.723%0.23140%0.398CS..  trans-65.3131.7179.3-165.9-98.9000110.4G68 F70 P98 S99 W100 S104 S105G68-H102 PolarHBondContact O-NE2 3.48Å; G68-H102 VanDerWaalsContact O-NE2 3.09Å; F70-H102 AromaticContact CD2-CD2 3.62Å; F70-H102 AromaticContact CD2-NE2 3.31Å; F70-H102 VanDerWaalsContact CD2-NE2 3.31Å; F70-H102 WeakPolarHBondContact CD2-NE2 3.23Å; F70-H102 AromaticContact CE2-CE1 3.9Å; F70-H102 AromaticContact CE2-NE2 3.31Å; F70-H102 VanDerWaalsContact CE2-NE2 3.31Å; F70-H102 WeakPolarHBondContact CE2-NE2 3.42Å; P98-H102 PolarHBondContact O-N 2.93Å; S99-H102 WeakPolarHBondContact O-CB 3.49Å; S99-H102 PolarHBondContact O-N 3.23Å; W100-H102 VanDerWaalsContact C-N 3.26Å; H102-S104 PolarHBondContact CE1-OG 2.78Å; H102-S104 PolarHBondContact ND1-N 3.21Å; H102-S104 PolarHBondContact ND1-OG 2.85Å; H102-S104 PolarHBondContact O-N 3.17Å; H102-S105 WeakPolarHBondContact O-CB 3.48Å; H102-S105 PolarHBondContact O-N 3.09Å; H102-S105 PolarHBondContact O-OG 2.84Å
103P73.5Confident83.5Confident8 Ų874.5 Ų74.55%0.05240%0.4CS..THydrogen-bonded Turntrans-63.1-18.8-173.622.2-33.3000113.7R53 F70 S105R53-P103 HydrophobicContact CG-CB 3.83Å; R53-P103 WeakPolarHBondContact CG-O 3.09Å; R53-P103 PolarHBondContact NE-O 3.14Å; R53-P103 PolarHBondContact NH2-O 3.26Å; R53-P103 VanDerWaalsContact NH2-O 3.09Å; R53-P103 WeakPolarHBondContact O-CA 3.47Å; F70-P103 HydrophobicContact CD1-CG 4.3Å; F70-P103 HydrophobicContact CD2-CG 4.03Å; F70-P103 HydrophobicContact CE1-CG 3.86Å; F70-P103 HydrophobicContact CE2-CG 3.54Å; F70-P103 HydrophobicContact CG-CG 4.41Å; F70-P103 HydrophobicContact CZ-CG 3.46Å; F70-P103 VanDerWaalsContact CZ-CG 3.46Å; P103-S105 VanDerWaalsContact C-N 3.32Å
104S76.8Confident83.4Confident84 Ų8473.9 Ų73.959%0.58739%0.393SS*.THydrogen-bonded Turntrans-82.3-0.8174.677.40000114.8H102H102-S104 PolarHBondContact CE1-OG 2.78Å; H102-S104 PolarHBondContact ND1-N 3.21Å; H102-S104 PolarHBondContact ND1-OG 2.85Å; H102-S104 PolarHBondContact O-N 3.17Å
105S82.6Confident83.2Confident26 Ų2675.8 Ų75.818%0.18240%0.399CS..SBendtrans-72.1147.4178.680.10000111.3W100 H102 P103 Q107 M108 S109W100-S105 PolarHBondContact O-OG 2.8Å; H102-S105 WeakPolarHBondContact O-CB 3.48Å; H102-S105 PolarHBondContact O-N 3.09Å; H102-S105 PolarHBondContact O-OG 2.84Å; P103-S105 VanDerWaalsContact C-N 3.32Å; S105-Q107 PolarHBondContact O-N 2.83Å; S105-M108 PolarHBondContact O-N 2.85Å; S105-M108 VanDerWaalsContact O-N 3.16Å; S105-M108 WeakPolarHBondContact OG-CG 3.43Å; S105-M108 PolarHBondContact OG-N 3.11Å; S105-M108 VanDerWaalsContact OG-N 3.14Å; S105-S109 PolarHBondContact O-N 3.23Å; S105-S109 VanDerWaalsContact O-N 3.09Å
106I86.5Confident83.3Confident146 Ų14675.9 Ų75.975%0.74939%0.389SS*.Hα-helixtrans-57.9-40.9176.5-64.3171.4000109.9M108 S109 V110I106-M108 PolarHBondContact O-N 3.07Å; I106-S109 WeakPolarHBondContact O-CA 3.32Å; I106-S109 VanDerWaalsContact O-CB 3.31Å; I106-S109 WeakPolarHBondContact O-CB 3.37Å; I106-S109 PolarHBondContact O-N 3.32Å; I106-S109 VanDerWaalsContact O-N 3.1Å; I106-V110 PolarHBondContact O-N 3.44Å
107Q86.5Confident83.4Confident109 Ų10978 Ų7851%0.50940%0.397SS..Hα-helixtrans-54.3-50.4174.5-176.4-173.7-1.900112S105 S109 V110 V111S105-Q107 PolarHBondContact O-N 2.83Å; Q107-S109 PolarHBondContact O-N 2.98Å; Q107-V110 PolarHBondContact O-N 2.99Å; Q107-V110 VanDerWaalsContact O-N 3.1Å; Q107-V111 WeakPolarHBondContact O-CG2 3.4Å; Q107-V111 PolarHBondContact O-N 3.49Å
108M84.7Confident83.6Confident4 Ų478.2 Ų78.22%0.0240%0.401CS..Hα-helixtrans-70.8-21.1-180-65.9-54.1143.900112.9L55 S105 I106 V111 S112L55-M108 HydrophobicContact CB-SD 4.33Å; L55-M108 HydrophobicContact CD1-SD 4.08Å; L55-M108 HydrophobicContact CD2-CE 4.45Å; S105-M108 PolarHBondContact O-N 2.85Å; S105-M108 VanDerWaalsContact O-N 3.16Å; S105-M108 WeakPolarHBondContact OG-CG 3.43Å; S105-M108 PolarHBondContact OG-N 3.11Å; S105-M108 VanDerWaalsContact OG-N 3.14Å; I106-M108 PolarHBondContact O-N 3.07Å; M108-V111 HydrophobicContact SD-CB 4.41Å; M108-V111 HydrophobicContact SD-CG2 4.41Å; M108-S112 WeakPolarHBondContact O-CB 3.46Å; M108-S112 PolarHBondContact O-N 3.32Å
109S86.8Confident83.9Confident42 Ų4279.5 Ų79.529%0.29440%0.404SS..Hα-helixtrans-68.6-44.6166.1-138.30000112R53 S105 I106 Q107 S112 H113R53-S109 PolarHBondContact NH1-OG 3.49Å; R53-S109 VanDerWaalsContact NH1-OG 3.11Å; S105-S109 PolarHBondContact O-N 3.23Å; S105-S109 VanDerWaalsContact O-N 3.09Å; I106-S109 WeakPolarHBondContact O-CA 3.32Å; I106-S109 VanDerWaalsContact O-CB 3.31Å; I106-S109 WeakPolarHBondContact O-CB 3.37Å; I106-S109 PolarHBondContact O-N 3.32Å; I106-S109 VanDerWaalsContact O-N 3.1Å; Q107-S109 PolarHBondContact O-N 2.98Å; S109-S112 WeakPolarHBondContact O-CB 3.33Å; S109-S112 PolarHBondContact O-N 3.09Å; S109-H113 PolarHBondContact O-CD2 3.1Å; S109-H113 PolarHBondContact O-N 3.24Å
110V90.1Very high84.8Confident95 Ų9577.2 Ų77.258%0.57639%0.391SS*.Hα-helixtrans-62.6-45.8175.2175.20000111.1I106 Q107 S112 H113 F114I106-V110 PolarHBondContact O-N 3.44Å; Q107-V110 PolarHBondContact O-N 2.99Å; Q107-V110 VanDerWaalsContact O-N 3.1Å; V110-S112 VanDerWaalsContact C-N 3.33Å; V110-S112 PolarHBondContact O-N 3.43Å; V110-H113 PolarHBondContact O-N 3.36Å; V110-F114 PolarHBondContact O-N 2.94Å
111V88.3Confident85.5Confident31 Ų3172 Ų7219%0.18838%0.377CS..Hα-helixtrans-61.5-41.1175.7176.10000111.2L55 Q107 M108 H113 F114 F115L55-V111 HydrophobicContact CD1-CG1 3.87Å; Q107-V111 WeakPolarHBondContact O-CG2 3.4Å; Q107-V111 PolarHBondContact O-N 3.49Å; M108-V111 HydrophobicContact SD-CB 4.41Å; M108-V111 HydrophobicContact SD-CG2 4.41Å; V111-H113 PolarHBondContact O-N 3.16Å; V111-F114 PolarHBondContact O-N 2.85Å; V111-F115 HydrophobicContact CG1-CD2 3.84Å; V111-F115 HydrophobicContact CG1-CE2 3.95Å; V111-F115 WeakPolarHBondContact O-CD2 3.47Å; V111-F115 PolarHBondContact O-N 3.33Å
112S88.7Confident85.9Confident13 Ų1374.8 Ų74.89%0.09139%0.386CS..Hα-helixtrans-58.3-47173.6-175.10000112.1G49 M108 S109 V110 F115 R116G49-S112 WeakPolarHBondContact CA-OG 2.89Å; G49-S112 WeakPolarHBondContact O-CB 3.49Å; G49-S112 PolarHBondContact O-OG 3.3Å; M108-S112 WeakPolarHBondContact O-CB 3.46Å; M108-S112 PolarHBondContact O-N 3.32Å; S109-S112 WeakPolarHBondContact O-CB 3.33Å; S109-S112 PolarHBondContact O-N 3.09Å; V110-S112 VanDerWaalsContact C-N 3.33Å; V110-S112 PolarHBondContact O-N 3.43Å; S112-F115 PolarHBondContact O-N 3.34Å; S112-R116 WeakPolarHBondContact O-CG 3.38Å; S112-R116 PolarHBondContact O-N 3Å
113H89.9Confident86.5Confident127 Ų12777.8 Ų77.859%0.58840%0.403SS*.Hα-helixtrans-63.4-40.9175.5-80.7-73.4000112.5S109 V110 V111 R116 L117S109-H113 PolarHBondContact O-CD2 3.1Å; S109-H113 PolarHBondContact O-N 3.24Å; V110-H113 PolarHBondContact O-N 3.36Å; V111-H113 PolarHBondContact O-N 3.16Å; H113-R116 PolarHBondContact O-N 3.06Å; H113-L117 WeakPolarHBondContact O-CB 3.46Å; H113-L117 PolarHBondContact O-N 2.91Å
114F89Confident87.1Confident132 Ų13281.3 Ų81.358%0.57942%0.421SS*.Hα-helixtrans-60.2-45.2174.7176.1-97.7000112.3V110 V111 L117 S118V110-F114 PolarHBondContact O-N 2.94Å; V111-F114 PolarHBondContact O-N 2.85Å; F114-L117 PolarHBondContact O-N 3.27Å; F114-S118 WeakPolarHBondContact O-CB 3.46Å; F114-S118 PolarHBondContact O-N 3.27Å
115F86.2Confident87.5Confident87 Ų8779 Ų7938%0.38240%0.401SS..Hα-helixtrans-63.7-41.7176.2-93.8-105.3000112.4V111 S112 S118 M119V111-F115 HydrophobicContact CG1-CD2 3.84Å; V111-F115 HydrophobicContact CG1-CE2 3.95Å; V111-F115 WeakPolarHBondContact O-CD2 3.47Å; V111-F115 PolarHBondContact O-N 3.33Å; S112-F115 PolarHBondContact O-N 3.34Å; F115-S118 PolarHBondContact O-N 3.27Å; F115-M119 WeakPolarHBondContact O-CG 3.27Å; F115-M119 PolarHBondContact O-N 3.09Å
116R90.1Very high87.7Confident139 Ų13980.9 Ų80.953%0.52541%0.411SS..Hα-helixtrans-63.2-44.4174.2-67.9-174.284.3111.18.4111.7G49 S112 H113 M119 A120G49-R116 VanDerWaalsContact CA-CG 3.47Å; S112-R116 WeakPolarHBondContact O-CG 3.38Å; S112-R116 PolarHBondContact O-N 3Å; H113-R116 PolarHBondContact O-N 3.06Å; R116-M119 PolarHBondContact O-N 3.37Å; R116-A120 VanDerWaalsContact O-CB 3.32Å; R116-A120 WeakPolarHBondContact O-CB 3.37Å; R116-A120 PolarHBondContact O-N 2.97Å
117L90.6Very high87.7Confident114 Ų11475.9 Ų75.960%0.59739%0.387SS*.Hα-helixtrans-61.8-45.6177.4-168.281.2000110.9H113 F114 M119 A120 V121H113-L117 WeakPolarHBondContact O-CB 3.46Å; H113-L117 PolarHBondContact O-N 2.91Å; F114-L117 PolarHBondContact O-N 3.27Å; L117-M119 PolarHBondContact O-N 3.07Å; L117-A120 PolarHBondContact O-N 3.48Å; L117-V121 WeakPolarHBondContact O-CB 3.33Å; L117-V121 VanDerWaalsContact O-CG2 3.29Å; L117-V121 WeakPolarHBondContact O-CG2 3.47Å; L117-V121 PolarHBondContact O-N 2.93Å
118S88.6Confident87.6Confident36 Ų3671.8 Ų71.825%0.25237%0.369SS..Hα-helixtrans-61.2-42.4178.8-171.30000112.3F114 F115 R122F114-S118 WeakPolarHBondContact O-CB 3.46Å; F114-S118 PolarHBondContact O-N 3.27Å; F115-S118 PolarHBondContact O-N 3.27Å; S118-R122 WeakPolarHBondContact O-CG 3.42Å; S118-R122 PolarHBondContact O-N 3.47Å; S118-R122 PolarHBondContact OG-NH2 2.99Å
119M86.2Confident87.6Confident70 Ų7074.5 Ų74.535%0.34538%0.383SS..Hα-helixtrans-69-41.8175.7-71.9-72.7-75.100112P48 F115 R116 L117 V121 R122 D123P48-M119 HydrophobicContact CB-CB 4.18Å; P48-M119 HydrophobicContact CB-CG 3.74Å; P48-M119 HydrophobicContact CG-CB 4.25Å; P48-M119 HydrophobicContact CG-CG 4.31Å; F115-M119 WeakPolarHBondContact O-CG 3.27Å; F115-M119 PolarHBondContact O-N 3.09Å; R116-M119 PolarHBondContact O-N 3.37Å; L117-M119 PolarHBondContact O-N 3.07Å; M119-V121 VanDerWaalsContact C-N 3.32Å; M119-V121 PolarHBondContact O-N 2.92Å; M119-R122 PolarHBondContact O-N 2.93Å; M119-R122 PolarHBondContact SD-NH1 3.3Å; M119-D123 WeakPolarHBondContact O-CB 3.36Å; M119-D123 PolarHBondContact O-N 3.47Å
120A89.6Confident87.5Confident56 Ų5679.8 Ų79.846%0.46340%0.403SS..Hα-helixtrans-63.5-35.5175.500000112.7R116 L117 D123 L124R116-A120 VanDerWaalsContact O-CB 3.32Å; R116-A120 WeakPolarHBondContact O-CB 3.37Å; R116-A120 PolarHBondContact O-N 2.97Å; L117-A120 PolarHBondContact O-N 3.48Å; A120-D123 PolarHBondContact O-N 3.48Å; A120-L124 WeakPolarHBondContact O-CB 3.3Å; A120-L124 PolarHBondContact O-N 3.48Å
121V88Confident87.1Confident55 Ų5583.4 Ų83.433%0.33341%0.411SS..Hα-helixtrans-62.3-42.2173.51580000111.5L117 M119 H125 F143L117-V121 WeakPolarHBondContact O-CB 3.33Å; L117-V121 VanDerWaalsContact O-CG2 3.29Å; L117-V121 WeakPolarHBondContact O-CG2 3.47Å; L117-V121 PolarHBondContact O-N 2.93Å; M119-V121 VanDerWaalsContact C-N 3.32Å; M119-V121 PolarHBondContact O-N 2.92Å; V121-H125 WeakPolarHBondContact O-CB 3.47Å; V121-H125 PolarHBondContact O-N 2.91Å; V121-F143 HydrophobicContact CB-CE1 4.18Å; V121-F143 HydrophobicContact CG1-CD1 3.99Å; V121-F143 HydrophobicContact CG1-CE1 3.63Å; V121-F143 HydrophobicContact CG1-CE2 4.45Å; V121-F143 HydrophobicContact CG1-CZ 3.89Å; V121-F143 HydrophobicContact CG2-CE1 3.98Å; V121-F143 WeakPolarHBondContact O-CZ 3.42Å
122R86.7Confident86.7Confident147 Ų14789.8 Ų89.856%0.55543%0.433SS*.Hα-helixtrans-67.5-44.6175.8-65.4173.4-158.9156.76.4111.9S118 M119 L124 H125 V126S118-R122 WeakPolarHBondContact O-CG 3.42Å; S118-R122 PolarHBondContact O-N 3.47Å; S118-R122 PolarHBondContact OG-NH2 2.99Å; M119-R122 PolarHBondContact O-N 2.93Å; M119-R122 PolarHBondContact SD-NH1 3.3Å; R122-L124 VanDerWaalsContact C-N 3.31Å; R122-L124 PolarHBondContact O-N 2.98Å; R122-H125 WeakPolarHBondContact O-CB 3.29Å; R122-H125 PolarHBondContact O-N 3.27Å; R122-V126 WeakPolarHBondContact O-CG2 3.48Å; R122-V126 PolarHBondContact O-N 2.9Å
123D86.6Confident86.3Confident113 Ų11392.1 Ų92.160%0.60446%0.459SS*.Hα-helixtrans-62.1-40.8178.1-16851.3000111.5M119 A120 T127M119-D123 WeakPolarHBondContact O-CB 3.36Å; M119-D123 PolarHBondContact O-N 3.47Å; A120-D123 PolarHBondContact O-N 3.48Å; D123-T127 VanDerWaalsContact O-CB 3.23Å; D123-T127 WeakPolarHBondContact O-CB 3.47Å; D123-T127 PolarHBondContact O-N 3.42Å; D123-T127 PolarHBondContact O-OG1 3.28Å
124L86.8Confident85.8Confident82 Ų8290.6 Ų90.643%0.42945%0.451SS..Hα-helixtrans-64.6-42.6172.9-177.463.6000112.2A120 R122 T127 L128 F143A120-L124 WeakPolarHBondContact O-CB 3.3Å; A120-L124 PolarHBondContact O-N 3.48Å; R122-L124 VanDerWaalsContact C-N 3.31Å; R122-L124 PolarHBondContact O-N 2.98Å; L124-T127 PolarHBondContact O-N 2.91Å; L124-L128 HydrophobicContact CD1-CD1 3.46Å; L124-L128 VanDerWaalsContact CD1-CD1 3.46Å; L124-L128 HydrophobicContact CG-CD1 3.76Å; L124-L128 WeakPolarHBondContact O-CD1 3.34Å; L124-L128 PolarHBondContact O-N 3.42Å; L124-F143 HydrophobicContact CB-CZ 4.5Å; L124-F143 HydrophobicContact CD2-CE1 4.33Å; L124-F143 HydrophobicContact CD2-CZ 4.18Å; L124-F143 HydrophobicContact CG-CZ 4.38Å
125H86.2Confident85.3Confident36 Ų3687 Ų8717%0.16745%0.445CS..Hα-helixtrans-59.2-50.4175.6175.872.5000111.9V121 R122 L128 I129 S139 Y140 F143V121-H125 WeakPolarHBondContact O-CB 3.47Å; V121-H125 PolarHBondContact O-N 2.91Å; R122-H125 WeakPolarHBondContact O-CB 3.29Å; R122-H125 PolarHBondContact O-N 3.27Å; H125-L128 PolarHBondContact O-N 2.97Å; H125-I129 WeakPolarHBondContact O-CG1 3.42Å; H125-I129 PolarHBondContact O-N 2.66Å; H125-I129 VanDerWaalsContact O-N 3.16Å; H125-S139 PolarHBondContact CE1-OG 2.84Å; H125-S139 PolarHBondContact ND1-OG 3.14Å; H125-Y140 AromaticContact CE1-CE1 3.34Å; H125-Y140 WeakPolarHBondContact CE1-CE1 3.32Å; H125-Y140 AromaticContact CE1-CZ 3.57Å; H125-Y140 AromaticContact NE2-CE1 3.93Å; H125-F143 HydrophobicContact CB-CE2 3.82Å; H125-F143 HydrophobicContact CB-CZ 4.33Å
126V85.5Confident85Confident64 Ų6484.8 Ų84.839%0.38844%0.443SS..Hα-helixtrans-60.7-46.5176.1174.60000110.3R122 L128 I129 E130R122-V126 WeakPolarHBondContact O-CG2 3.48Å; R122-V126 PolarHBondContact O-N 2.9Å; V126-L128 PolarHBondContact O-N 3.21Å; V126-I129 PolarHBondContact O-N 2.79Å; V126-E130 HydrophobicContact CG1-CG 4.18Å; V126-E130 WeakPolarHBondContact O-CB 3.37Å; V126-E130 PolarHBondContact O-N 3.43Å
127T86.8Confident84.8Confident41 Ų4186.1 Ų86.125%0.25245%0.448SS..Hα-helixtrans-61.5-38.2178.3-62.40000112.9D123 L124 K131D123-T127 VanDerWaalsContact O-CB 3.23Å; D123-T127 WeakPolarHBondContact O-CB 3.47Å; D123-T127 PolarHBondContact O-N 3.42Å; D123-T127 PolarHBondContact O-OG1 3.28Å; L124-T127 PolarHBondContact O-N 2.91Å; T127-K131 HydrophobicContact CG2-CB 4.4Å; T127-K131 HydrophobicContact CG2-CD 4.1Å; T127-K131 HydrophobicContact CG2-CG 4.29Å; T127-K131 WeakPolarHBondContact O-CB 3.5Å; T127-K131 PolarHBondContact O-N 3.2Å
128L85.4Confident84.6Confident23 Ų2384.5 Ų84.512%0.1244%0.439CS..Hα-helixtrans-65.2-39.9175.3-101.783.8000112.1L124 H125 V126 Y132 G133 F134 L142L124-L128 HydrophobicContact CD1-CD1 3.46Å; L124-L128 VanDerWaalsContact CD1-CD1 3.46Å; L124-L128 HydrophobicContact CG-CD1 3.76Å; L124-L128 WeakPolarHBondContact O-CD1 3.34Å; L124-L128 PolarHBondContact O-N 3.42Å; H125-L128 PolarHBondContact O-N 2.97Å; V126-L128 PolarHBondContact O-N 3.21Å; L128-Y132 CarbonylContact O-C 3.58Å; L128-Y132 WeakPolarHBondContact O-CB 3.39Å; L128-Y132 PolarHBondContact O-N 3.28Å; L128-G133 PolarHBondContact O-N 3.44Å; L128-F134 HydrophobicContact CB-CD2 4.43Å; L128-F134 HydrophobicContact CD2-CD2 3.94Å; L128-F134 HydrophobicContact CG-CD2 4.04Å; L128-F134 PolarHBondContact O-N 3.3Å; L128-L142 HydrophobicContact CD2-CD2 4.46Å
129I84.7Confident84.5Confident62 Ų6282.8 Ų82.832%0.31843%0.427SS..Hα-helixtrans-71.7-51.3179.9-67.2169.3000110H125 V126 G133 A136H125-I129 WeakPolarHBondContact O-CG1 3.42Å; H125-I129 PolarHBondContact O-N 2.66Å; H125-I129 VanDerWaalsContact O-N 3.16Å; V126-I129 PolarHBondContact O-N 2.79Å; I129-G133 VanDerWaalsContact O-CA 3.3Å; I129-G133 WeakPolarHBondContact O-CA 3.39Å; I129-G133 PolarHBondContact O-N 3.07Å; I129-A136 HydrophobicContact CD1-CB 4.31Å
130E84.7Confident84.6Confident153 Ų15386.2 Ų86.272%0.71544%0.437SS*.Hα-helixtrans-76.5-43.5-173.3-67.7-174.1167.200113.7V126V126-E130 HydrophobicContact CG1-CG 4.18Å; V126-E130 WeakPolarHBondContact O-CB 3.37Å; V126-E130 PolarHBondContact O-N 3.43Å
131K80.7Confident84.7Confident170 Ų17087.1 Ų87.174%0.73944%0.436SS*.Hα-helixtrans-92-35.8-174.7-63.8-163-180179.20114.3T127T127-K131 HydrophobicContact CG2-CB 4.4Å; T127-K131 HydrophobicContact CG2-CD 4.1Å; T127-K131 HydrophobicContact CG2-CG 4.29Å; T127-K131 WeakPolarHBondContact O-CB 3.5Å; T127-K131 PolarHBondContact O-N 3.2Å
132Y79.7Confident84.7Confident166 Ų16688.6 Ų88.665%0.65144%0.442SS*.Hα-helixtrans-98.8-6.8-179.1-73.6-88.6000113.1L128 F134L128-Y132 CarbonylContact O-C 3.58Å; L128-Y132 WeakPolarHBondContact O-CB 3.39Å; L128-Y132 PolarHBondContact O-N 3.28Å; Y132-F134 VanDerWaalsContact CB-CD2 3.41Å; Y132-F134 HydrophobicContact CD1-CE2 4.16Å; Y132-F134 HydrophobicContact CG-CD2 4.27Å; Y132-F134 HydrophobicContact CG-CE2 4.04Å; Y132-F134 PolarHBondContact O-N 2.87Å; Y132-F134 VanDerWaalsContact O-N 3.17Å
133G80.9Confident84.8Confident62 Ų6283.4 Ų83.464%0.63942%0.424SS*.  trans64.416.718000000113.7L128 I129 A135L128-G133 PolarHBondContact O-N 3.44Å; I129-G133 VanDerWaalsContact O-CA 3.3Å; I129-G133 WeakPolarHBondContact O-CA 3.39Å; I129-G133 PolarHBondContact O-N 3.07Å; G133-A135 PolarHBondContact O-N 3.4Å
134F78.8Confident85Confident94 Ų9480 Ų8041%0.41242%0.415SS..  trans-67.9120.2-179-77.4-59000109.9L128 Y132 A136 M138L128-F134 HydrophobicContact CB-CD2 4.43Å; L128-F134 HydrophobicContact CD2-CD2 3.94Å; L128-F134 HydrophobicContact CG-CD2 4.04Å; L128-F134 PolarHBondContact O-N 3.3Å; Y132-F134 VanDerWaalsContact CB-CD2 3.41Å; Y132-F134 HydrophobicContact CD1-CE2 4.16Å; Y132-F134 HydrophobicContact CG-CD2 4.27Å; Y132-F134 HydrophobicContact CG-CE2 4.04Å; Y132-F134 PolarHBondContact O-N 2.87Å; Y132-F134 VanDerWaalsContact O-N 3.17Å; F134-A136 PolarHBondContact O-N 3.21Å; F134-M138 HydrophobicContact CB-CB 4.5Å
135A79Confident85.4Confident56 Ų5678.8 Ų78.846%0.46342%0.417SS..  trans-55.1135.1174.700000110.3G133 W137 M138G133-A135 PolarHBondContact O-N 3.4Å; A135-W137 PolarHBondContact O-N 3.46Å; A135-M138 WeakPolarHBondContact O-CB 3.47Å; A135-M138 PolarHBondContact O-N 3.28Å
136A80.4Confident85.7Confident41 Ų4180.7 Ų80.734%0.33943%0.431SS..Hα-helixtrans-50.3-36.1-163.200000114.7I129 F134 M138 S139 Y140I129-A136 HydrophobicContact CD1-CB 4.31Å; F134-A136 PolarHBondContact O-N 3.21Å; A136-M138 VanDerWaalsContact C-N 3.27Å; A136-M138 PolarHBondContact O-N 3.06Å; A136-S139 PolarHBondContact O-N 2.94Å; A136-S139 VanDerWaalsContact O-N 3.07Å; A136-S139 PolarHBondContact O-OG 3.41Å; A136-Y140 HydrophobicContact CB-CD2 4.49Å; A136-Y140 HydrophobicContact CB-CE2 3.91Å; A136-Y140 VanDerWaalsContact O-CD2 3.26Å; A136-Y140 WeakPolarHBondContact O-CD2 3.39Å; A136-Y140 PolarHBondContact O-N 2.85Å
137W85.3Confident86Confident168 Ų16882.3 Ų82.364%0.63644%0.441SS*.Hα-helixtrans-53.5-37.4176.175.5-72000114A135 S139 Y140 T141A135-W137 PolarHBondContact O-N 3.46Å; W137-S139 VanDerWaalsContact C-N 3.33Å; W137-S139 PolarHBondContact O-N 3.29Å; W137-Y140 PolarHBondContact O-N 3.44Å; W137-T141 HydrophobicContact CE3-CG2 4.43Å; W137-T141 WeakPolarHBondContact O-CG2 3.38Å; W137-T141 PolarHBondContact O-N 3.47Å; W137-T141 PolarHBondContact O-OG1 3.45Å; W137-T141 VanDerWaalsContact O-OG1 3.13Å
138M86.2Confident86.4Confident79 Ų7986.3 Ų86.339%0.38946%0.46SS..Hα-helixtrans-65.4-35.4178-72.4-63-65.600112.7F134 A135 A136 T141 L142F134-M138 HydrophobicContact CB-CB 4.5Å; A135-M138 WeakPolarHBondContact O-CB 3.47Å; A135-M138 PolarHBondContact O-N 3.28Å; A136-M138 VanDerWaalsContact C-N 3.27Å; A136-M138 PolarHBondContact O-N 3.06Å; M138-T141 WeakPolarHBondContact CA-OG1 3.29Å; M138-T141 PolarHBondContact O-OG1 3.26Å; M138-L142 WeakPolarHBondContact O-CB 3.5Å; M138-L142 PolarHBondContact O-N 2.94Å; M138-L142 VanDerWaalsContact O-N 3.1Å
139S86.8Confident87Confident0 Ų091.8 Ų91.80%048%0.483CS..Hα-helixtrans-71.3-39.7176.174.20000111.2H125 A136 W137 L142 F143H125-S139 PolarHBondContact CE1-OG 2.84Å; H125-S139 PolarHBondContact ND1-OG 3.14Å; A136-S139 PolarHBondContact O-N 2.94Å; A136-S139 VanDerWaalsContact O-N 3.07Å; A136-S139 PolarHBondContact O-OG 3.41Å; W137-S139 VanDerWaalsContact C-N 3.33Å; W137-S139 PolarHBondContact O-N 3.29Å; S139-L142 PolarHBondContact O-N 2.93Å; S139-F143 WeakPolarHBondContact O-CD2 3.5Å; S139-F143 PolarHBondContact O-N 3.21Å
140Y88.5Confident87.4Confident143 Ų14393.5 Ų93.556%0.56149%0.493SS*.Hα-helixtrans-68.6-38.3177.3-60-47.3000112.4H125 A136 W137 G144H125-Y140 AromaticContact CE1-CE1 3.34Å; H125-Y140 WeakPolarHBondContact CE1-CE1 3.32Å; H125-Y140 AromaticContact CE1-CZ 3.57Å; H125-Y140 AromaticContact NE2-CE1 3.93Å; A136-Y140 HydrophobicContact CB-CD2 4.49Å; A136-Y140 HydrophobicContact CB-CE2 3.91Å; A136-Y140 VanDerWaalsContact O-CD2 3.26Å; A136-Y140 WeakPolarHBondContact O-CD2 3.39Å; A136-Y140 PolarHBondContact O-N 2.85Å; W137-Y140 PolarHBondContact O-N 3.44Å; Y140-G144 PolarHBondContact O-N 3.45Å
141T91.2Very high87.9Confident74 Ų7488.2 Ų88.245%0.45448%0.479SS..Hα-helixtrans-66.5-38.917452.60000111.6W137 M138 G144 A145W137-T141 HydrophobicContact CE3-CG2 4.43Å; W137-T141 WeakPolarHBondContact O-CG2 3.38Å; W137-T141 PolarHBondContact O-N 3.47Å; W137-T141 PolarHBondContact O-OG1 3.45Å; W137-T141 VanDerWaalsContact O-OG1 3.13Å; M138-T141 WeakPolarHBondContact CA-OG1 3.29Å; M138-T141 PolarHBondContact O-OG1 3.26Å; T141-G144 PolarHBondContact O-N 2.79Å; T141-A145 VanDerWaalsContact O-CB 3.27Å; T141-A145 WeakPolarHBondContact O-CB 3.17Å; T141-A145 PolarHBondContact O-N 2.86Å
142L88.3Confident88.7Confident86 Ų8684 Ų8445%0.4547%0.47SS..Hα-helixtrans-62-50.8173.4-177.964.6000112L128 M138 S139 G144 A145 V146L128-L142 HydrophobicContact CD2-CD2 4.46Å; M138-L142 WeakPolarHBondContact O-CB 3.5Å; M138-L142 PolarHBondContact O-N 2.94Å; M138-L142 VanDerWaalsContact O-N 3.1Å; S139-L142 PolarHBondContact O-N 2.93Å; L142-G144 VanDerWaalsContact C-N 3.34Å; L142-G144 PolarHBondContact O-N 3.47Å; L142-A145 PolarHBondContact O-N 2.86Å; L142-V146 HydrophobicContact CD1-CG2 4.45Å; L142-V146 WeakPolarHBondContact O-CG2 3.42Å; L142-V146 PolarHBondContact O-N 2.88Å
143F88.5Confident89.5Confident39 Ų3979.2 Ų79.217%0.17146%0.458CS..Hα-helixtrans-64.3-37.9177.9-72.6-57.7000112.5V121 L124 H125 S139 T147V121-F143 HydrophobicContact CB-CE1 4.18Å; V121-F143 HydrophobicContact CG1-CD1 3.99Å; V121-F143 HydrophobicContact CG1-CE1 3.63Å; V121-F143 HydrophobicContact CG1-CE2 4.45Å; V121-F143 HydrophobicContact CG1-CZ 3.89Å; V121-F143 HydrophobicContact CG2-CE1 3.98Å; V121-F143 WeakPolarHBondContact O-CZ 3.42Å; L124-F143 HydrophobicContact CB-CZ 4.5Å; L124-F143 HydrophobicContact CD2-CE1 4.33Å; L124-F143 HydrophobicContact CD2-CZ 4.18Å; L124-F143 HydrophobicContact CG-CZ 4.38Å; H125-F143 HydrophobicContact CB-CE2 3.82Å; H125-F143 HydrophobicContact CB-CZ 4.33Å; S139-F143 WeakPolarHBondContact O-CD2 3.5Å; S139-F143 PolarHBondContact O-N 3.21Å; F143-T147 VanDerWaalsContact O-CB 3.31Å; F143-T147 WeakPolarHBondContact O-CB 3.23Å; F143-T147 PolarHBondContact O-N 3.49Å; F143-T147 PolarHBondContact O-OG1 3.37Å
144G91.5Very high90.2Very high40 Ų4081.4 Ų81.441%0.41245%0.454SS..Hα-helixtrans-61.2-48.6173.600000112.1Y140 T141 L142 T147 L148Y140-G144 PolarHBondContact O-N 3.45Å; T141-G144 PolarHBondContact O-N 2.79Å; L142-G144 VanDerWaalsContact C-N 3.34Å; L142-G144 PolarHBondContact O-N 3.47Å; G144-T147 PolarHBondContact O-N 3.22Å; G144-L148 WeakPolarHBondContact O-CB 3.43Å; G144-L148 PolarHBondContact O-N 3.44Å
145A94.1Very high91Very high57 Ų5778.5 Ų78.547%0.47145%0.451SS..Hα-helixtrans-62.6-43.9178.400000112.5T141 L142 L148 F149T141-A145 VanDerWaalsContact O-CB 3.27Å; T141-A145 WeakPolarHBondContact O-CB 3.17Å; T141-A145 PolarHBondContact O-N 2.86Å; L142-A145 PolarHBondContact O-N 2.86Å; A145-L148 PolarHBondContact O-N 2.87Å; A145-F149 WeakPolarHBondContact O-CB 3.38Å; A145-F149 PolarHBondContact O-N 2.97Å
146V92.2Very high91.7Very high76 Ų7682.9 Ų82.946%0.46146%0.46SS..Hα-helixtrans-63.4-43.1175.9171.30000111.2L142 F149 L150L142-V146 HydrophobicContact CD1-CG2 4.45Å; L142-V146 WeakPolarHBondContact O-CG2 3.42Å; L142-V146 PolarHBondContact O-N 2.88Å; V146-F149 PolarHBondContact O-N 3.23Å; V146-L150 WeakPolarHBondContact O-CB 3.42Å; V146-L150 PolarHBondContact O-N 2.92Å
147T91.9Very high92.4Very high98 Ų9886.8 Ų86.860%0.60147%0.469SS*.Hα-helixtrans-66-43.4179.3-55.30000111.5F143 G144 G151F143-T147 VanDerWaalsContact O-CB 3.31Å; F143-T147 WeakPolarHBondContact O-CB 3.23Å; F143-T147 PolarHBondContact O-N 3.49Å; F143-T147 PolarHBondContact O-OG1 3.37Å; G144-T147 PolarHBondContact O-N 3.22Å; T147-G151 PolarHBondContact O-N 2.93Å
148L96.5Very high92.9Very high125 Ų12583.4 Ų83.465%0.65446%0.463SS*.Hα-helixtrans-59.7-49.2174.5-170.895.1000110.8G144 A145 G151 C152G144-L148 WeakPolarHBondContact O-CB 3.43Å; G144-L148 PolarHBondContact O-N 3.44Å; A145-L148 PolarHBondContact O-N 2.87Å; L148-G151 PolarHBondContact O-N 3.41Å; L148-C152 PolarHBondContact O-N 3.48Å; L148-C152 PolarHBondContact O-SG 2.94Å; L148-C152 VanDerWaalsContact O-SG 3.35Å
149F96.4Very high93.2Very high138 Ų13883.4 Ų83.461%0.60547%0.467SS*.Hα-helixtrans-60.8-47.5-180-176.9-99.3000112.1A145 V146 G151 C152 V153A145-F149 WeakPolarHBondContact O-CB 3.38Å; A145-F149 PolarHBondContact O-N 2.97Å; V146-F149 PolarHBondContact O-N 3.23Å; F149-G151 VanDerWaalsContact C-N 3.31Å; F149-G151 PolarHBondContact O-N 2.97Å; F149-C152 PolarHBondContact O-N 2.94Å; F149-V153 HydrophobicContact CD1-CG2 4.29Å; F149-V153 HydrophobicContact CE1-CG2 3.9Å; F149-V153 HydrophobicContact CE2-CG2 4.31Å; F149-V153 HydrophobicContact CZ-CG2 3.91Å; F149-V153 WeakPolarHBondContact O-CG2 2.95Å; F149-V153 PolarHBondContact O-N 2.7Å
150L94.4Very high93.5Very high99 Ų9987.5 Ų87.552%0.51849%0.485SS..Hα-helixtrans-60-41.1175-115.869.6000112V146 V153 L154V146-L150 WeakPolarHBondContact O-CB 3.42Å; V146-L150 PolarHBondContact O-N 2.92Å; L150-V153 PolarHBondContact O-N 3.31Å; L150-L154 WeakPolarHBondContact O-CB 3.36Å; L150-L154 WeakPolarHBondContact O-CG 3.44Å; L150-L154 PolarHBondContact O-N 3.41Å
151G95.7Very high93.6Very high42 Ų4284.6 Ų84.643%0.43348%0.478SS..Hα-helixtrans-62.3-45.2176.100000112.7T147 L148 F149 G155T147-G151 PolarHBondContact O-N 2.93Å; L148-G151 PolarHBondContact O-N 3.41Å; F149-G151 VanDerWaalsContact C-N 3.31Å; F149-G151 PolarHBondContact O-N 2.97Å; G151-G155 PolarHBondContact O-N 2.95Å
152C96.7Very high93.5Very high80 Ų8085 Ų8554%0.54148%0.477SS..Hα-helixtrans-63.2-43.9175.5-70.10000112.2L148 F149 G155 F156L148-C152 PolarHBondContact O-N 3.48Å; L148-C152 PolarHBondContact O-SG 2.94Å; L148-C152 VanDerWaalsContact O-SG 3.35Å; F149-C152 PolarHBondContact O-N 2.94Å; C152-G155 PolarHBondContact O-N 3.17Å; C152-F156 WeakPolarHBondContact O-CB 3.35Å; C152-F156 PolarHBondContact O-N 2.87Å
153V96.1Very high93.4Very high66 Ų6685.4 Ų85.440%0.448%0.479SS..Hα-helixtrans-64.7-45.5177.81740000111.2F149 L150 F156 F157F149-V153 HydrophobicContact CD1-CG2 4.29Å; F149-V153 HydrophobicContact CE1-CG2 3.9Å; F149-V153 HydrophobicContact CE2-CG2 4.31Å; F149-V153 HydrophobicContact CZ-CG2 3.91Å; F149-V153 WeakPolarHBondContact O-CG2 2.95Å; F149-V153 PolarHBondContact O-N 2.7Å; L150-V153 PolarHBondContact O-N 3.31Å; V153-F156 PolarHBondContact O-N 3.35Å; V153-F157 WeakPolarHBondContact O-CB 3.44Å; V153-F157 PolarHBondContact O-N 3.33Å
154L95.4Very high93.3Very high108 Ų10891.8 Ų91.857%0.56550%0.502SS*.Hα-helixtrans-62.8-44.6176-81.8166000112L150 F157 I158L150-L154 WeakPolarHBondContact O-CB 3.36Å; L150-L154 WeakPolarHBondContact O-CG 3.44Å; L150-L154 PolarHBondContact O-N 3.41Å; L154-F157 PolarHBondContact O-N 2.85Å; L154-I158 VanDerWaalsContact O-CG1 3.29Å; L154-I158 WeakPolarHBondContact O-CG1 3.31Å; L154-I158 PolarHBondContact O-N 3.38Å
155G95.4Very high93.1Very high33 Ų3395.4 Ų95.434%0.3451%0.511SS..Hα-helixtrans-60.3-46.6177.100000112.3G151 C152 F157 I158 V159G151-G155 PolarHBondContact O-N 2.95Å; C152-G155 PolarHBondContact O-N 3.17Å; G155-F157 PolarHBondContact O-N 3.37Å; G155-I158 PolarHBondContact O-N 3.07Å; G155-V159 WeakPolarHBondContact O-CG2 3.32Å; G155-V159 PolarHBondContact O-N 3.45Å
156F95.3Very high92.4Very high148 Ų14899.5 Ų99.565%0.64952%0.518SS*.Hα-helixtrans-62.1-41.8175.8-175.9-97.9000112.1C152 V153 I158 V159 F160C152-F156 WeakPolarHBondContact O-CB 3.35Å; C152-F156 PolarHBondContact O-N 2.87Å; V153-F156 PolarHBondContact O-N 3.35Å; F156-I158 PolarHBondContact O-N 3.16Å; F156-V159 PolarHBondContact O-N 3.38Å; F156-F160 VanDerWaalsContact O-CB 3.29Å; F156-F160 WeakPolarHBondContact O-CB 3.34Å; F156-F160 PolarHBondContact O-N 3.48Å
157F95.1Very high91.2Very high124 Ų12499.9 Ų99.954%0.54452%0.522SS..Hα-helixtrans-62.4-40.8175.4-117.1-87000112.5V153 L154 G155 F160 I161V153-F157 WeakPolarHBondContact O-CB 3.44Å; V153-F157 PolarHBondContact O-N 3.33Å; L154-F157 PolarHBondContact O-N 2.85Å; G155-F157 PolarHBondContact O-N 3.37Å; F157-F160 PolarHBondContact O-N 2.86Å; F157-I161 HydrophobicContact CD1-CD1 4.14Å; F157-I161 WeakPolarHBondContact O-CB 3.18Å; F157-I161 WeakPolarHBondContact O-CD1 3.4Å; F157-I161 VanDerWaalsContact O-CG1 3.23Å; F157-I161 WeakPolarHBondContact O-CG1 3.44Å; F157-I161 PolarHBondContact O-N 3.33Å
158I94.1Very high89.6Confident96 Ų96100.7 Ų100.749%0.49253%0.527SS..Hα-helixtrans-65.1-47.3177.4-70.1164000110.5L154 G155 F156 F160 I161 I162L154-I158 VanDerWaalsContact O-CG1 3.29Å; L154-I158 WeakPolarHBondContact O-CG1 3.31Å; L154-I158 PolarHBondContact O-N 3.38Å; G155-I158 PolarHBondContact O-N 3.07Å; F156-I158 PolarHBondContact O-N 3.16Å; I158-F160 PolarHBondContact O-N 2.85Å; I158-I161 PolarHBondContact O-N 3.39Å; I158-I162 HydrophobicContact CG2-CD1 3.78Å; I158-I162 HydrophobicContact CG2-CG1 4.49Å; I158-I162 VanDerWaalsContact O-CG1 3.3Å; I158-I162 WeakPolarHBondContact O-CG1 3.4Å; I158-I162 PolarHBondContact O-N 2.85Å
159V94Very high87.7Confident79 Ų79100.6 Ų100.648%0.47953%0.532SS..Hα-helixtrans-59.3-47.2176172.70000110.7G155 F156 I161 I162 D163G155-V159 WeakPolarHBondContact O-CG2 3.32Å; G155-V159 PolarHBondContact O-N 3.45Å; F156-V159 PolarHBondContact O-N 3.38Å; V159-I161 VanDerWaalsContact C-N 3.31Å; V159-I161 PolarHBondContact O-N 2.88Å; V159-I162 PolarHBondContact O-N 3.08Å; V159-I162 VanDerWaalsContact O-N 3.09Å; V159-D163 PolarHBondContact O-N 3.16Å
160F91.7Very high85.6Confident86 Ų86101.4 Ų101.438%0.37754%0.542SS..Hα-helixtrans-61.3-36.5178-174-96.6000113F156 F157 I158 R164F156-F160 VanDerWaalsContact O-CB 3.29Å; F156-F160 WeakPolarHBondContact O-CB 3.34Å; F156-F160 PolarHBondContact O-N 3.48Å; F157-F160 PolarHBondContact O-N 2.86Å; I158-F160 PolarHBondContact O-N 2.85Å; F160-R164 HydrophobicContact CD1-CG 4.43Å; F160-R164 HydrophobicContact CE1-CG 4.27Å; F160-R164 VanDerWaalsContact CZ-CZ 3.45Å; F160-R164 WeakPolarHBondContact O-CB 3.5Å; F160-R164 WeakPolarHBondContact O-CG 3.04Å; F160-R164 PolarHBondContact O-N 2.96Å
161I92.2Very high83.3Confident82 Ų82101.9 Ų101.942%0.42155%0.553SS.*Hα-helixtrans-68.5-41.6173.6-72.7166.7000110.8F157 I158 V159 R164 I165F157-I161 HydrophobicContact CD1-CD1 4.14Å; F157-I161 WeakPolarHBondContact O-CB 3.18Å; F157-I161 WeakPolarHBondContact O-CD1 3.4Å; F157-I161 VanDerWaalsContact O-CG1 3.23Å; F157-I161 WeakPolarHBondContact O-CG1 3.44Å; F157-I161 PolarHBondContact O-N 3.33Å; I158-I161 PolarHBondContact O-N 3.39Å; V159-I161 VanDerWaalsContact C-N 3.31Å; V159-I161 PolarHBondContact O-N 2.88Å; I161-R164 PolarHBondContact O-N 3.32Å; I161-I165 HydrophobicContact CG2-CD1 3.57Å; I161-I165 HydrophobicContact CG2-CG1 4.32Å; I161-I165 WeakPolarHBondContact O-CB 3.3Å; I161-I165 WeakPolarHBondContact O-CG1 3.46Å; I161-I165 PolarHBondContact O-N 3.17Å
162I89Confident80.7Confident84 Ų84106 Ų10643%0.43158%0.576SS.*Hα-helixtrans-62.3-47.5176.6-69.3166000110.5I158 V159 R164 I165 F166I158-I162 HydrophobicContact CG2-CD1 3.78Å; I158-I162 HydrophobicContact CG2-CG1 4.49Å; I158-I162 VanDerWaalsContact O-CG1 3.3Å; I158-I162 WeakPolarHBondContact O-CG1 3.4Å; I158-I162 PolarHBondContact O-N 2.85Å; V159-I162 PolarHBondContact O-N 3.08Å; V159-I162 VanDerWaalsContact O-N 3.09Å; I162-R164 PolarHBondContact O-N 3.24Å; I162-R164 VanDerWaalsContact O-N 3.17Å; I162-I165 PolarHBondContact O-N 3.21Å; I162-F166 HydrophobicContact CG2-CD2 4.39Å; I162-F166 WeakPolarHBondContact O-CA 3.34Å; I162-F166 PolarHBondContact O-N 3.46Å
163D86.4Confident77.8Confident94 Ų94105.2 Ų105.250%0.50358%0.581SS.*Hα-helixtrans-60.6-25.7177-71.4-22.6000112.9V159 P167V159-D163 PolarHBondContact O-N 3.16Å; D163-P167 WeakPolarHBondContact O-CA 3.27Å
164R85Confident75Confident173 Ų173105.7 Ų105.765%0.65360%0.599SS**Hα-helixtrans-88.4-29.4178.2-68.8-72.4159.9105.6-0.1113.8F160 I161 I162F160-R164 HydrophobicContact CD1-CG 4.43Å; F160-R164 HydrophobicContact CE1-CG 4.27Å; F160-R164 VanDerWaalsContact CZ-CZ 3.45Å; F160-R164 WeakPolarHBondContact O-CB 3.5Å; F160-R164 WeakPolarHBondContact O-CG 3.04Å; F160-R164 PolarHBondContact O-N 2.96Å; I161-R164 PolarHBondContact O-N 3.32Å; I162-R164 PolarHBondContact O-N 3.24Å; I162-R164 VanDerWaalsContact O-N 3.17Å
165I88.2Confident72.2Confident115 Ų115108 Ų10859%0.5962%0.618SS**Hα-helixtrans-88.1-38178.3-68.5175.5000111.1I161 I162 P167I161-I165 HydrophobicContact CG2-CD1 3.57Å; I161-I165 HydrophobicContact CG2-CG1 4.32Å; I161-I165 WeakPolarHBondContact O-CB 3.3Å; I161-I165 WeakPolarHBondContact O-CG1 3.46Å; I161-I165 PolarHBondContact O-N 3.17Å; I162-I165 PolarHBondContact O-N 3.21Å; I165-P167 WeakPolarHBondContact O-CD 3.39Å
166F79.4Confident69.7Low144 Ų144111 Ų11163%0.63264%0.64SS**SBendtrans-113.171.8172.6-62-81.5000109.3I162 T168I162-F166 HydrophobicContact CG2-CD2 4.39Å; I162-F166 WeakPolarHBondContact O-CA 3.34Å; I162-F166 PolarHBondContact O-N 3.46Å; F166-T168 PolarHBondContact O-N 3.19Å
167P67.5Low66.9Low83 Ų83113.7 Ų113.754%0.53965%0.652SS.*  trans-61.1104.9171.227.5-33.3000107.6D163 I165 T169D163-P167 WeakPolarHBondContact O-CA 3.27Å; I165-P167 WeakPolarHBondContact O-CD 3.39Å; P167-T169 PolarHBondContact O-N 3.4Å
168T58Low64.1Low116 Ų116116.1 Ų116.171%0.71267%0.665SS**  trans-72.784.4178.7-61.40000107.7F166 L170F166-T168 PolarHBondContact O-N 3.19Å; T168-L170 HydrophobicContact CG2-CG 4.38Å; T168-L170 PolarHBondContact O-N 3.03Å
169T56.3Low61.5Low123 Ų123117.2 Ų117.276%0.75568%0.678SS**  trans-71.779.1174.757.80000108.7P167 S171P167-T169 PolarHBondContact O-N 3.4Å; T169-S171 VanDerWaalsContact C-N 3.29Å; T169-S171 PolarHBondContact O-N 3.1Å
170L51.7Low58.6Low155 Ų155122.8 Ų122.881%0.81270%0.696SS**  trans-59.999.4161.8-89.4161.4000107.3T168 S172T168-L170 HydrophobicContact CG2-CG 4.38Å; T168-L170 PolarHBondContact O-N 3.03Å; L170-S172 VanDerWaalsContact C-N 3.27Å; L170-S172 PolarHBondContact O-N 3.25Å
171S45.7Very low56Low108 Ų108123.7 Ų123.776%0.75572%0.719SS**  trans-6587.6179.6-172.80000110T169 G173T169-S171 VanDerWaalsContact C-N 3.29Å; T169-S171 PolarHBondContact O-N 3.1Å; S171-G173 VanDerWaalsContact C-N 3.27Å; S171-G173 PolarHBondContact O-N 2.89Å; S171-G173 VanDerWaalsContact O-N 3.07Å
172S42.4Very low53.1Low130 Ų130129.7 Ų129.791%0.90974%0.742SS**  trans-79.978.3170.5-165.80000108.8L170L170-S172 VanDerWaalsContact C-N 3.27Å; L170-S172 PolarHBondContact O-N 3.25Å
173G36.1Very low50.4Low63 Ų63131.9 Ų131.965%0.64976%0.764SS**  trans163.6105.2177.300000113.5S171S171-G173 VanDerWaalsContact C-N 3.27Å; S171-G173 PolarHBondContact O-N 2.89Å; S171-G173 VanDerWaalsContact O-N 3.07Å
174G36.1Very low47.9Very low76 Ų76136.5 Ų136.578%0.78478%0.78SS**  trans167.984.9175.800000114.5A176G174-A176 PolarHBondContact O-N 2.71Å
175T36.8Very low45.3Very low155 Ų155139.1 Ų139.195%0.95179%0.79SS**  trans-58.1120.9172.743.70000112.7
176A42.3Very low42.5Very low98 Ų98144.2 Ų144.281%0.8180%0.802SS**  trans-128.1125169.300000111.5G174G174-A176 PolarHBondContact O-N 2.71Å
177K37.3Very low40.1Very low204 Ų204147 Ų14789%0.88781%0.814SS**  trans-60.7140.4-171-64.3164.8175.3172.70113.7P179K177-P179 WeakPolarHBondContact O-CD 3.26Å
178Q36.5Very low38.3Very low175 Ų175148.6 Ų148.682%0.81883%0.827SS**  trans-81.1130.8150.5-78.7-165.713.900110.5
179P39.2Very low36.8Very low119 Ų119148.1 Ų148.177%0.77383%0.828SS**  trans-106.6133.1153.533.7-25.5000110.8K177K177-P179 WeakPolarHBondContact O-CD 3.26Å
180K32.3Very low35.5Very low196 Ų196151.7 Ų151.785%0.85283%0.833SS**  trans-86.7132172.3-65-162.9-179.8-171.40111
181A38.1Very low34.4Very low104 Ų104149.6 Ų149.686%0.8683%0.827SS**  trans-138.1138.8159.900000110.3
182K30.8Very low33.6Very low209 Ų209149.8 Ų149.891%0.90983%0.828SS**  trans-99.5143.7-176.7-65.5167.9176.7169.50110.3
183S33Very low32.8Very low129 Ų129147.4 Ų147.490%0.90282%0.824SS**  trans-139.6160149-165.20000111.2
184K34.4Very low32.6Very low192 Ų192153.5 Ų153.584%0.83583%0.833SS**  trans-116.9136.4-152.8-84.3175.9173.8171.70114.5
185R28.6Very low32.3Very low228 Ų228155 Ų15586%0.8683%0.827SS**  67.5111.8127.6-169.3-179.2101.3168.25.9120.2
186R30.8Very low31.9Very low221 Ų221152 Ų15283%0.83481%0.813SS**  -171.1124.3116.8-101.9168.9130.8162.9-5.1109.7
187K27.8Very low31.2Very low203 Ų203154.7 Ų154.788%0.88381%0.813SS**  52.1126.5108.8-99.1-174.5173.2-173.60113.4
188S30.1Very low31Very low117 Ų117154 Ų15482%0.81881%0.81SS**  cis-153.4167.926.148.50000115.3
189S26.5Very low30.6Very low106 Ų106150.3 Ų150.374%0.74180%0.804SS**  trans-75172.9179.453.50000116.9
190K28.9Very low30.3Very low198 Ų198149.9 Ų149.986%0.86180%0.804SS**  trans89.8138162.4-80-164.3174.3-171.70116.5
191T28.5Very low30.5Very low110 Ų110145.7 Ų145.768%0.67581%0.806SS**  cis-151.2153.7-5.1-62.30000111.1
192S29.8Very low30.4Very low112 Ų112147.8 Ų147.878%0.78380%0.802SS**  trans40121159.867.30000122
193G25.3Very low30.7Very low80 Ų80143.4 Ų143.483%0.82580%0.798SS**  trans-119142.7142.900000109.7
194K31.3Very low30.8Very low191 Ų191142.1 Ų142.183%0.8380%0.795SS**  trans-150.1126.6171.5-153-163.1175-175.90112
195T30.2Very low30.7Very low107 Ų107136.7 Ų136.766%0.65679%0.794SS**  trans56.3107.8155.6400000121
196S28.9Very low31.1Very low94 Ų94133.2 Ų133.266%0.65779%0.787SS**  71.4124.9111.6-60.10000122.3
197D26.8Very low31.4Very low153 Ų153127.8 Ų127.882%0.81878%0.783SS**  trans60.7123.8146-44.6-32.3000117.5
198K32.9Very low31.8Very low190 Ų190124.3 Ų124.383%0.82677%0.774SS**  -177.8155.360.2-166.8178.4-178.2176.10112.2
199S28.2Very low32.4Very low98 Ų98126 Ų12669%0.68577%0.774SS**  trans69.8144.9151.645.10000122.8
200S33.4Very low32.7Very low110 Ų110129 Ų12977%0.76978%0.777SS**  trans76.894.8158.2-55.20000118.5
201A36Very low33.1Very low108 Ų108126.3 Ų126.389%0.89378%0.776SS**  trans-108.3110.9155.200000108.2
202D36.6Very low33.7Very low147 Ų147126.1 Ų126.179%0.78678%0.775SS**  trans-93.6160.7177.2-88.5-53.6000112.5
203S36Very low34.2Very low117 Ų117126.6 Ų126.682%0.81878%0.775SS**  trans68.394.9163.4-62.30000117.7
204A36Very low35.1Very low102 Ų102130.4 Ų130.484%0.84378%0.775SS**PPolyproline II helixtrans-62.2142.5158.500000111.4H206A204-H206 PolarHBondContact O-N 3.07Å
205G32.8Very low35.3Very low79 Ų79128.5 Ų128.581%0.81477%0.774SS**PPolyproline II helixtrans-70.7125.1172.900000111.6
206H35.8Very low35.5Very low155 Ų155131.7 Ų131.772%0.71878%0.781SS**PPolyproline II helixtrans-92.7118.5169177.660.3000108.3A204 D208A204-H206 PolarHBondContact O-N 3.07Å; H206-D208 IonicContact CE1-OD1 3.08Å; H206-D208 PolarHBondContact CE1-OD1 2.93Å; H206-D208 IonicContact CE1-OD2 3.16Å; H206-D208 PolarHBondContact CE1-OD2 3.2Å; H206-D208 IonicContact ND1-OD1 3.46Å; H206-D208 PolarHBondContact ND1-OD1 3.44Å; H206-D208 IonicContact NE2-OD1 3.97Å; H206-D208 IonicContact NE2-OD2 3.56Å
207S38.8Very low36Very low106 Ų106136 Ų13674%0.74179%0.791SS**  trans-129.778.1177.846.50000109.6N209S207-N209 PolarHBondContact O-N 3.13Å
208D35.1Very low36.6Very low130 Ų130133.6 Ų133.670%0.69578%0.782SS**  trans-80.5102.2168.1-82.613.2000109H206H206-D208 IonicContact CE1-OD1 3.08Å; H206-D208 PolarHBondContact CE1-OD1 2.93Å; H206-D208 IonicContact CE1-OD2 3.16Å; H206-D208 PolarHBondContact CE1-OD2 3.2Å; H206-D208 IonicContact ND1-OD1 3.46Å; H206-D208 PolarHBondContact ND1-OD1 3.44Å; H206-D208 IonicContact NE2-OD1 3.97Å; H206-D208 IonicContact NE2-OD2 3.56Å
209N43.2Very low36.6Very low152 Ų152134.7 Ų134.781%0.81378%0.78SS**  trans-95.2118.5169.2-86.3-11.4000110.5S207S207-N209 PolarHBondContact O-N 3.13Å
210E31.5Very low36.7Very low171 Ų171139.3 Ų139.380%0.79979%0.791SS**  trans67.589.6138.3-152.7140.210400118.6T212E210-T212 HydrophobicContact CG-CG2 4.15Å
211V37.6Very low36.8Very low140 Ų140146 Ų14685%0.84880%0.799SS**  trans-111.8106.5149.81760000108P213V211-P213 WeakPolarHBondContact O-CD 3.42Å
212T41.4Very low36.7Very low107 Ų107146.2 Ų146.266%0.65679%0.792SS**PPolyproline II helixtrans-83.7119.9171.345.30000110.3E210E210-T212 HydrophobicContact CG-CG2 4.15Å
213P39.5Very low36.6Very low122 Ų122149.5 Ų149.579%0.79280%0.799SS**PPolyproline II helixtrans-77.8125.1167.7-7.625.8000109V211V211-P213 WeakPolarHBondContact O-CD 3.42Å
214I46.1Very low36.6Very low160 Ų160153.4 Ų153.482%0.82180%0.801SS**PPolyproline II helixtrans-79.1138.6170.6-67.2171.6000108.8E216I214-E216 PolarHBondContact O-N 2.89Å
215D33.9Very low36.7Very low151 Ų151153.4 Ų153.481%0.80780%0.795SS**PPolyproline II helixtrans-50.2128.3-174-67.4-90000115.7
216E34.2Very low37.1Very low173 Ų173154.9 Ų154.981%0.80879%0.793SS**  trans-128.374.6155.1-164.1-177.7132.500111I214 V218I214-E216 PolarHBondContact O-N 2.89Å; E216-V218 HydrophobicContact CG-CG2 3.9Å; E216-V218 PolarHBondContact O-N 3.28Å
217H39.5Very low37.3Very low184 Ų184153.1 Ų153.185%0.85280%0.798SS**  trans-97.566.1170.2-133-16.7000111.7R219H217-R219 PolarHBondContact O-N 3.47Å
218V40.5Very low37.7Very low104 Ų104154.1 Ų154.163%0.6381%0.805SS**  trans-93.883.9179.1-175.70000112E216E216-V218 HydrophobicContact CG-CG2 3.9Å; E216-V218 PolarHBondContact O-N 3.28Å
219R32.1Very low38.1Very low212 Ų212156.3 Ų156.380%0.881%0.809SS**  trans162.5119.5137.4-95.7171.8-88.3-168.5-7111.5H217H217-R219 PolarHBondContact O-N 3.47Å
220H30.7Very low38.5Very low195 Ų195154.4 Ų154.490%0.90380%0.802SS**  174.8102.8119.5-92.5-68000110.7
221R35Very low39.2Very low250 Ų250157.1 Ų157.194%0.94382%0.822SS**  trans-141.6151.6153.2-110.1-159.3166-177.5-2.6110.5
222P34.9Very low39.2Very low114 Ų114158 Ų15874%0.7482%0.821SS**  trans-97159-151.437.1-37.6000114.5
223K34.3Very low39.1Very low216 Ų216160.6 Ų160.694%0.93983%0.83SS**  trans-101.5107.4158.8-76.6-171.7174.2-176.30110.4
224K36.8Very low39.1Very low198 Ų198162.8 Ų162.886%0.86183%0.832SS**  trans-99.5114.4149.6-100.3-169.6172.9-1780105.4
225S37.2Very low38.7Very low103 Ų103162.9 Ų162.972%0.7283%0.833SS**  91.294.671730000113
226S41.3Very low39Very low110 Ų110163.7 Ų163.777%0.76983%0.834SS**  trans-151.792.4158550000105.1
227S39.3Very low39.3Very low118 Ų118163.1 Ų163.183%0.82584%0.836SS**  61.286.475.7-158.60000112
228S46.8Very low39.3Very low127 Ų127161.6 Ų161.689%0.88884%0.835SS**  trans-121.3150.6150.8-46.80000106.1
229K45.2Very low39.2Very low176 Ų176166 Ų16677%0.76585%0.85SS**  trans-137.8145.2-154.1-173.4-167.7-177.8-172.30109.6
230T50.2Low39.8Very low111 Ų111162.2 Ų162.268%0.68186%0.855SS**  trans60.7145.4164.836.40000116
231D45.9Very low40.6Very low228 Ų228159.2 Ų159.2100%1.21985%0.85SS**  cis-124.702.5-86.1-84.4000110.7

Retrieved 231 of 231 residues in 84.4 ms (Link to these results)

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