A0A077ZAJ1_TRITR Loading...

Methionine--tRNA ligase, cytoplasmic

AlphaFold DB , UniProt , Accession A0A077ZAJ1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 759 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
1M22.1Very low40.4Very low211 Ų211134.5 Ų134.5100%1.03971%0.708SS**  0123.50-69.8-176.4-170.900108.3L3M1-L3 VanDerWaalsContact C-N 3.26Å; M1-L3 HydrophobicContact CB-CG 4.49Å; M1-L3 PolarHBondContact O-N 3.26Å; M1-L3 VanDerWaalsContact O-N 3.08Å; M1-L3 HydrophobicContact SD-CD1 4.49Å
2P25.6Very low44.2Very low137 Ų137126.2 Ų126.289%0.8966%0.664SS**  trans-79.185.5164.832.5-25.4000106.8G4P2-G4 PolarHBondContact O-N 2.79Å
3L29Very low47.4Very low138 Ų138121.8 Ų121.872%0.72365%0.646SS**  trans-80.7105.9162.9-82164.3000106.1M1 I5M1-L3 VanDerWaalsContact C-N 3.26Å; M1-L3 HydrophobicContact CB-CG 4.49Å; M1-L3 PolarHBondContact O-N 3.26Å; M1-L3 VanDerWaalsContact O-N 3.08Å; M1-L3 HydrophobicContact SD-CD1 4.49Å; L3-I5 PolarHBondContact O-N 2.93Å
4G28.7Very low50.5Low64 Ų64115.3 Ų115.366%0.6661%0.611SS**  trans-48126.5169.700000109.6P2 W6P2-G4 PolarHBondContact O-N 2.79Å; G4-W6 PolarHBondContact O-N 3.21Å
5I35.4Very low53.1Low73 Ų73112.3 Ų112.337%0.37459%0.592SS.*SBendtrans-78.271.4177.8-52.3171.6000106.9L3L3-I5 PolarHBondContact O-N 2.93Å
6W39.7Very low55.2Low81 Ų81109.8 Ų109.831%0.30759%0.592SS.*  trans-108.3112.5144.6-6491.7000103.5G4 I8 E100 F106 F109G4-W6 PolarHBondContact O-N 3.21Å; W6-I8 HydrophobicContact CB-CG1 4.12Å; W6-I8 PolarHBondContact O-N 3.35Å; W6-E100 HydrophobicContact CZ2-CG 4.22Å; W6-E100 WeakPolarHBondContact CZ2-OE1 3.32Å; W6-E100 PolarHBondContact NE1-OE1 3.41Å; W6-F106 HydrophobicContact CH2-CB 4.24Å; W6-F106 HydrophobicContact CZ3-CB 4.35Å; W6-F106 VanDerWaalsContact CZ3-O 3.25Å; W6-F106 WeakPolarHBondContact CZ3-O 3.4Å; W6-F109 HydrophobicContact CH2-CB 4.1Å
7K41.7Very low57Low197 Ų197107.9 Ų107.986%0.85761%0.605SS**  trans-64.182.4160.2-87.9-174.2177.11750106.9G9K7-G9 PolarHBondContact O-N 3.45Å
8I36.5Very low58.8Low166 Ų166108.4 Ų108.485%0.85160%0.6SS**THydrogen-bonded Turntrans-60.3100.9165.8-62.6167000104.9W6W6-I8 HydrophobicContact CB-CG1 4.12Å; W6-I8 PolarHBondContact O-N 3.35Å
9G48.3Very low60.5Low72 Ų72106.1 Ų106.174%0.74258%0.581SS**THydrogen-bonded Turntrans156.2-26.9161.200000119K7K7-G9 PolarHBondContact O-N 3.45Å
10R58Low62.3Low227 Ų227100.9 Ų100.986%0.85755%0.552SS**  trans-116.899.6-179.5-103.4-176.6177.31760.3111.8I12R10-I12 PolarHBondContact O-N 3.37Å
11K79.8Confident63.8Low113 Ų11396.1 Ų96.149%0.49153%0.526SS..  trans-53122162.8-77.5-178.2173.3-177.40108.7V13 Y288 L289K11-V13 PolarHBondContact O-N 3.03Å; K11-V13 VanDerWaalsContact O-N 3.12Å; K11-Y288 WeakPolarHBondContact CA-OH 3.4Å; K11-Y288 WeakPolarHBondContact CE-O 3.43Å; K11-L289 HydrophobicContact CB-CD2 3.7Å; K11-L289 HydrophobicContact CD-CD2 3.91Å; K11-L289 HydrophobicContact CG-CD2 3.89Å
12I85.6Confident67.4Low35 Ų3586 Ų8618%0.17948%0.477CS..  trans-78.699.4177.5-56.7-165.9000108.6R10 N59 T60 L61 D107 Y288 L289 W296R10-I12 PolarHBondContact O-N 3.37Å; I12-N59 WeakPolarHBondContact CG2-OD1 3.47Å; I12-T60 WeakPolarHBondContact CD1-O 3.19Å; I12-L61 HydrophobicContact CB-CD1 4.28Å; I12-D107 WeakPolarHBondContact CD1-OD1 3.43Å; I12-Y288 PolarHBondContact N-OH 2.99Å; I12-L289 WeakPolarHBondContact O-CD1 3.37Å; I12-W296 HydrophobicContact CG2-CZ2 4.08Å; I12-W296 PolarHBondContact O-NE1 3.46Å
13V86.2Confident70.8Confident70 Ų7079.5 Ų79.542%0.42443%0.434SS..  trans-86.9152.3173.5-64.10000110.4K11 N59K11-V13 PolarHBondContact O-N 3.03Å; K11-V13 VanDerWaalsContact O-N 3.12Å; V13-N59 PolarHBondContact O-ND2 3Å
14L90.3Very high74.1Confident30 Ų3073 Ų7316%0.15740%0.4CS..  trans-61142.4175.4-172.1144.7000110.3N20 D295 W296 E301 V303L14-N20 HydrophobicContact CG-CB 4.49Å; L14-D295 HydrophobicContact CB-CB 4.07Å; L14-D295 HydrophobicContact CD1-CB 4.36Å; L14-D295 VanDerWaalsContact CD1-O 3.27Å; L14-D295 WeakPolarHBondContact CD1-O 3.42Å; L14-W296 HydrophobicContact CB-CZ2 4.49Å; L14-E301 HydrophobicContact CD1-CB 4.13Å; L14-E301 HydrophobicContact CD2-CB 3.59Å; L14-E301 HydrophobicContact CD2-CG 3.66Å; L14-E301 HydrophobicContact CG-CB 4.5Å; L14-V303 HydrophobicContact CD1-CG2 3.52Å
15Q89.3Confident77.4Confident70 Ų7069.9 Ų69.933%0.32737%0.368SS..  trans-118.9114.8179.8-66.1-179.42600109.9K18 N20 N59Q15-K18 HydrophobicContact CB-CB 4.18Å; Q15-K18 HydrophobicContact CB-CD 4.23Å; Q15-K18 HydrophobicContact CB-CG 4.26Å; Q15-K18 PolarHBondContact O-N 2.87Å; Q15-N20 PolarHBondContact N-OD1 3.31Å; Q15-N20 VanDerWaalsContact N-OD1 3.08Å; Q15-N20 PolarHBondContact O-ND2 2.74Å; Q15-N20 PolarHBondContact O-OD1 2.81Å; Q15-N59 PolarHBondContact N-ND2 2.94Å; Q15-N59 PolarHBondContact NE2-OD1 3.29Å
16A86.9Confident80.3Confident72 Ų7266.8 Ų66.860%0.59535%0.353SS*.THydrogen-bonded Turntrans-60.314117700000111.2K18A16-K18 PolarHBondContact O-N 3.1Å
17G85.9Confident83Confident79 Ų7963.8 Ų63.881%0.81434%0.343SS*.THydrogen-bonded Turntrans71.41179.900000115.7
18K89.1Confident85.6Confident116 Ų11655.5 Ų55.550%0.50431%0.31SS..SBendtrans-104.5160.4170.8-65.9-158.7-172.3170.60111.5Q15 A16 N20Q15-K18 HydrophobicContact CB-CB 4.18Å; Q15-K18 HydrophobicContact CB-CD 4.23Å; Q15-K18 HydrophobicContact CB-CG 4.26Å; Q15-K18 PolarHBondContact O-N 2.87Å; A16-K18 PolarHBondContact O-N 3.1Å; K18-N20 PolarHBondContact O-N 3.17Å; K18-N20 PolarHBondContact O-ND2 3.04Å
19R92.2Very high88.2Confident65 Ų6551.2 Ų51.225%0.24528%0.284CS..  trans-71.1109.7169.1-161.9-179.9-177.2179.8-2.2109I21 F58 N59 E304 E420R19-I21 HydrophobicContact CG-CD1 3.77Å; R19-I21 HydrophobicContact CG-CG1 4.4Å; R19-F58 HydrophobicContact CB-CD1 4.13Å; R19-F58 HydrophobicContact CB-CG 4.48Å; R19-N59 PolarHBondContact O-N 3.48Å; R19-E304 WeakPolarHBondContact CG-OE1 3.49Å; R19-E304 IonicContact CZ-OE1 2.84Å; R19-E304 IonicContact CZ-OE2 3.56Å; R19-E304 IonicContact NE-OE1 3.28Å; R19-E304 PolarHBondContact NE-OE1 2.93Å; R19-E304 IonicContact NE-OE2 2.94Å; R19-E304 PolarHBondContact NE-OE2 3.1Å; R19-E304 IonicContact NH2-OE1 3.99Å; R19-E304 IonicContact NH2-OE2 2.68Å; R19-E304 PolarHBondContact NH2-OE2 3.08Å; R19-E420 IonicContact CZ-OE2 3.8Å; R19-E420 VanDerWaalsContact CZ-OE2 3.29Å; R19-E420 IonicContact NH1-OE2 3.92Å; R19-E420 PolarHBondContact NH1-OE2 3.16Å; R19-E420 IonicContact NH2-OE1 3.88Å; R19-E420 IonicContact NH2-OE2 3.36Å; R19-E420 PolarHBondContact NH2-OE2 3.01Å
20N95.1Very high90.3Very high1 Ų147.9 Ų47.91%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-98.5113.8179.1-62-69.7000109.2L14 Q15 K18 N59 W296 V303 E304L14-N20 HydrophobicContact CG-CB 4.49Å; Q15-N20 PolarHBondContact N-OD1 3.31Å; Q15-N20 VanDerWaalsContact N-OD1 3.08Å; Q15-N20 PolarHBondContact O-ND2 2.74Å; Q15-N20 PolarHBondContact O-OD1 2.81Å; K18-N20 PolarHBondContact O-N 3.17Å; K18-N20 PolarHBondContact O-ND2 3.04Å; N20-N59 CarbonylContact C-O 3.24Å; N20-N59 WeakPolarHBondContact CA-O 3.45Å; N20-N59 WeakPolarHBondContact OD1-CB 3.4Å; N20-N59 PolarHBondContact OD1-ND2 2.84Å; N20-W296 HydrophobicContact CB-CH2 4.14Å; N20-W296 HydrophobicContact CB-CZ3 3.95Å; N20-V303 HydrophobicContact CB-CG2 4.33Å; N20-E304 PolarHBondContact O-N 3.25Å
21I94.8Very high91.6Very high1 Ų137.7 Ų37.71%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-109.4116.8-177.2-53.2-59.7000108.7R19 I23 F49 F58 N59 T60 L61 E304 Y306R19-I21 HydrophobicContact CG-CD1 3.77Å; R19-I21 HydrophobicContact CG-CG1 4.4Å; I21-I23 HydrophobicContact CG2-CD1 4.14Å; I21-I23 HydrophobicContact CG2-CG1 3.72Å; I21-F49 HydrophobicContact CG2-CE1 4.09Å; I21-F58 HydrophobicContact CG1-CB 4.03Å; I21-F58 HydrophobicContact CG1-CD2 4.15Å; I21-F58 HydrophobicContact CG1-CG 4.41Å; I21-N59 PolarHBondContact N-O 3.11Å; I21-T60 WeakPolarHBondContact O-CA 3.37Å; I21-L61 PolarHBondContact O-N 2.93Å; I21-E304 HydrophobicContact CD1-CB 3.87Å; I21-E304 HydrophobicContact CD1-CG 4.43Å; I21-Y306 HydrophobicContact CD1-CE2 4.09Å; I21-Y306 HydrophobicContact CG2-CD2 3.74Å; I21-Y306 HydrophobicContact CG2-CE2 3.98Å
22L97Very high92Very high0 Ų036.8 Ų36.80%021%0.212CC..EExtended strand (participates in β ladder)trans-99122.5170.6-179.757.6000108.4L61 I63 W296 W297 V303 E304 L305 Y306L22-L61 HydrophobicContact CD1-CB 4.12Å; L22-L61 HydrophobicContact CD1-CD2 3.92Å; L22-L61 HydrophobicContact CD1-CG 3.98Å; L22-I63 HydrophobicContact CD1-CG1 4.46Å; L22-W296 HydrophobicContact CB-CE3 4Å; L22-W296 HydrophobicContact CB-CZ3 4.19Å; L22-W296 HydrophobicContact CD1-CE3 4.4Å; L22-W297 HydrophobicContact CD2-CD2 4.09Å; L22-W297 HydrophobicContact CD2-CE3 4.44Å; L22-W297 HydrophobicContact CD2-CH2 4Å; L22-W297 HydrophobicContact CD2-CZ2 3.58Å; L22-W297 HydrophobicContact CD2-CZ3 4.41Å; L22-W297 HydrophobicContact CG-CZ2 4.49Å; L22-V303 HydrophobicContact CB-CG1 3.65Å; L22-V303 HydrophobicContact CD2-CG1 4.4Å; L22-E304 PolarHBondContact N-O 3.13Å; L22-L305 HydrophobicContact CB-CD1 4.18Å; L22-L305 HydrophobicContact CD2-CD1 3.95Å; L22-L305 HydrophobicContact CG-CD1 3.78Å; L22-L305 CarbonylContact O-C 3.52Å; L22-L305 WeakPolarHBondContact O-CA 3.37Å; L22-Y306 PolarHBondContact O-N 2.73Å
23I97Very high92.2Very high0 Ų036 Ų360%021%0.209CC..EExtended strand (participates in β ladder)trans-114.9130.3-179.2-54.2172.6000107.7I21 A46 F49 T60 L61 F62 I63 Y306 F308I21-I23 HydrophobicContact CG2-CD1 4.14Å; I21-I23 HydrophobicContact CG2-CG1 3.72Å; I23-A46 HydrophobicContact CG2-CB 4.08Å; I23-F49 HydrophobicContact CD1-CD1 3.61Å; I23-F49 HydrophobicContact CD1-CE1 4.1Å; I23-F49 HydrophobicContact CG1-CD1 4.08Å; I23-F49 HydrophobicContact CG1-CE1 4.3Å; I23-T60 HydrophobicContact CD1-CG2 3.46Å; I23-T60 VanDerWaalsContact CD1-CG2 3.46Å; I23-T60 HydrophobicContact CG1-CG2 4.19Å; I23-L61 PolarHBondContact N-O 3.47Å; I23-F62 HydrophobicContact CB-CB 4.3Å; I23-F62 HydrophobicContact CB-CD2 3.86Å; I23-F62 HydrophobicContact CB-CG 4.39Å; I23-F62 HydrophobicContact CG2-CD2 3.61Å; I23-F62 HydrophobicContact CG2-CE2 3.99Å; I23-F62 HydrophobicContact CG2-CG 4.39Å; I23-F62 WeakPolarHBondContact O-CA 3.33Å; I23-I63 PolarHBondContact O-N 2.58Å; I23-Y306 WeakPolarHBondContact CA-O 3.39Å; I23-F308 HydrophobicContact CG2-CD2 3.85Å; I23-F308 HydrophobicContact CG2-CE2 3.88Å
24T98.2Very high92.6Very high0 Ų033 Ų330%019%0.19CC..EExtended strand (participates in β ladder)trans-124.2147.4167.275.80000111I63 Y281 W297 L305 Y306 N307 F308T24-I63 WeakPolarHBondContact CA-O 3.18Å; T24-Y281 HydrophobicContact CG2-CD1 3.84Å; T24-Y281 HydrophobicContact CG2-CE1 4.45Å; T24-Y281 HydrophobicContact CG2-CG 3.94Å; T24-W297 HydrophobicContact CG2-CZ2 4.47Å; T24-L305 HydrophobicContact CG2-CD1 4.02Å; T24-Y306 PolarHBondContact N-O 3.39Å; T24-N307 PolarHBondContact OG1-ND2 2.68Å; T24-F308 PolarHBondContact O-N 2.95Å
25S97.4Very high92.8Very high0 Ų033.9 Ų33.90%019%0.193CC..EExtended strand (participates in β ladder)trans-109.1144.5167.2-175.40000108.8L27 C42 V43 I63 Y281 F308S25-L27 PolarHBondContact O-N 3.33Å; S25-C42 VanDerWaalsContact OG-CB 3.29Å; S25-C42 WeakPolarHBondContact OG-CB 3.27Å; S25-C42 PolarHBondContact OG-O 2.97Å; S25-V43 WeakPolarHBondContact OG-CA 3.24Å; S25-V43 WeakPolarHBondContact OG-CG1 3.36Å; S25-V43 PolarHBondContact OG-N 3.2Å; S25-V43 VanDerWaalsContact OG-N 3.11Å; S25-I63 PolarHBondContact N-O 3.34Å; S25-Y281 WeakPolarHBondContact O-CE1 3.41Å; S25-F308 WeakPolarHBondContact CA-O 3.38Å
26A96.5Very high93.1Very high7 Ų730.5 Ų30.56%0.05818%0.178CC..  trans-47.7129.3175.200000110.8P28 C42 Y281 F308 V309A26-P28 WeakPolarHBondContact O-CD 3.28Å; A26-C42 HydrophobicContact CB-CB 4.4Å; A26-Y281 WeakPolarHBondContact CA-OH 3.33Å; A26-F308 PolarHBondContact N-O 2.93Å; A26-V309 HydrophobicContact CB-CB 4.46Å; A26-V309 HydrophobicContact CB-CG1 4.2Å
27L97.6Very high93.5Very high18 Ų1827.7 Ų27.79%0.09416%0.155CC..  trans-66.9113.2-179.7-55.1-176.4000109.1S25 Y29 G65 D67 T112 A277 Y281 I284S25-L27 PolarHBondContact O-N 3.33Å; L27-Y29 PolarHBondContact O-N 2.91Å; L27-G65 WeakPolarHBondContact CA-O 3.37Å; L27-D67 HydrophobicContact CB-CB 3.97Å; L27-T112 HydrophobicContact CD1-CG2 3.71Å; L27-A277 VanDerWaalsContact CD1-O 3.25Å; L27-A277 WeakPolarHBondContact CD1-O 3.3Å; L27-Y281 HydrophobicContact CD1-CE1 4.32Å; L27-Y281 HydrophobicContact CD2-CD1 3.89Å; L27-Y281 HydrophobicContact CD2-CE1 3.54Å; L27-Y281 HydrophobicContact CG-CD1 4.2Å; L27-Y281 HydrophobicContact CG-CE1 3.6Å; L27-I284 HydrophobicContact CD1-CD1 4.26Å; L27-I284 HydrophobicContact CD2-CD1 3.82Å
28P95.3Very high93.8Very high24 Ų2426.6 Ų26.616%0.15613%0.133CC..  trans-60.9134.8173.224.8-39.2000111.4A26 V30 G65 D67 Y99A26-P28 WeakPolarHBondContact O-CD 3.28Å; P28-V30 PolarHBondContact O-N 2.87Å; P28-G65 WeakPolarHBondContact CD-O 3.21Å; P28-D67 PolarHBondContact O-N 2.78Å; P28-Y99 HydrophobicContact CG-CE2 4.13Å; P28-Y99 WeakPolarHBondContact CG-OH 3.26Å
29Y91.7Very high94.2Very high76 Ų7621 Ų2130%0.29811%0.109SC..BIsolated β-bridgetrans-57.3122.9166-74.8-71.7000110.1L27 N31 D67 W274L27-Y29 PolarHBondContact O-N 2.91Å; Y29-N31 PolarHBondContact O-N 2.89Å; Y29-D67 HydrophobicContact CD1-CB 4.37Å; Y29-D67 WeakPolarHBondContact CE1-OD2 3.42Å; Y29-W274 VanDerWaalsContact OH-CE2 3.29Å; Y29-W274 WeakPolarHBondContact OH-CZ2 3.14Å
30V92.3Very high94.3Very high1 Ų118 Ų181%0.00610%0.098CC..THydrogen-bonded Turntrans-65.5-27.6-172.3750000112.8P28 N32 T66 D67 E68 C88 Y91P28-V30 PolarHBondContact O-N 2.87Å; V30-N32 PolarHBondContact O-N 3.41Å; V30-N32 VanDerWaalsContact O-N 3.11Å; V30-T66 HydrophobicContact CB-CG2 4.14Å; V30-T66 HydrophobicContact CG2-CG2 3.8Å; V30-D67 PolarHBondContact N-O 3.19Å; V30-E68 HydrophobicContact CB-CG 4.1Å; V30-E68 HydrophobicContact CG1-CB 4.17Å; V30-E68 HydrophobicContact CG1-CG 4.06Å; V30-E68 HydrophobicContact CG2-CG 4.38Å; V30-C88 HydrophobicContact CG1-CB 4.34Å; V30-Y91 WeakPolarHBondContact O-CB 3.38Å; V30-Y91 WeakPolarHBondContact O-CD1 3.47Å; V30-Y91 VanDerWaalsContact O-CG 3.22Å
31N86Confident94Very high13 Ų1318.1 Ų18.17%0.0710%0.099CC..THydrogen-bonded Turntrans-78.16.9-171.765.8-23.8000114.8Y29 A72 K76Y29-N31 PolarHBondContact O-N 2.89Å; N31-A72 VanDerWaalsContact ND2-C 3.28Å; N31-A72 VanDerWaalsContact ND2-CB 3.26Å; N31-A72 WeakPolarHBondContact ND2-CB 3.45Å; N31-A72 PolarHBondContact ND2-O 2.82Å; N31-A72 VanDerWaalsContact ND2-O 3.13Å; N31-K76 HydrophobicContact CB-CB 4.36Å; N31-K76 HydrophobicContact CB-CG 4.48Å
32N86.9Confident94Very high94 Ų9418.9 Ų18.950%0.50310%0.104SC..SBendtrans-130.9139.6-178.8-68.7-55.3000111.8V30 H95V30-N32 PolarHBondContact O-N 3.41Å; V30-N32 VanDerWaalsContact O-N 3.11Å; N32-H95 PolarHBondContact O-CE1 2.86Å; N32-H95 PolarHBondContact O-NE2 2.96Å
33V91.4Very high94.1Very high20 Ų2019 Ų1912%0.12111%0.105CC..PPolyproline II helixtrans-64.8127.6168.7179.80000108.7H35 Y91 L94 F360 T362V33-H35 PolarHBondContact O-N 3.4Å; V33-Y91 HydrophobicContact CG2-CE1 4.07Å; V33-L94 HydrophobicContact CB-CD2 4.38Å; V33-L94 HydrophobicContact CG1-CD2 4.1Å; V33-L94 HydrophobicContact CG2-CD1 4.02Å; V33-L94 HydrophobicContact CG2-CD2 4.17Å; V33-F360 HydrophobicContact CB-CD1 3.97Å; V33-F360 HydrophobicContact CG1-CB 3.76Å; V33-F360 HydrophobicContact CG1-CD1 3.88Å; V33-F360 HydrophobicContact CG1-CG 4.22Å; V33-F360 WeakPolarHBondContact O-CD1 3.43Å; V33-T362 HydrophobicContact CG1-CG2 4.1Å
34P93.8Very high94Very high6 Ų619 Ų194%0.03911%0.105CC..PPolyproline II helixtrans-66.4133.9178.527.1-33.2000110.2I39 V98 Y99 G361P34-I39 HydrophobicContact CB-CG1 4.43Å; P34-V98 HydrophobicContact CG-CB 4.31Å; P34-V98 HydrophobicContact CG-CG1 3.99Å; P34-V98 HydrophobicContact CG-CG2 4.45Å; P34-Y99 HydrophobicContact CB-CE1 4.21Å; P34-Y99 HydrophobicContact CG-CE1 4.16Å; P34-G361 PolarHBondContact O-N 2.75Å
35H94Very high93.8Very high48 Ų4819 Ų1922%0.22211%0.105CC..BIsolated β-bridgetrans-100.5167.7173.162.590.3000111.9V33 G37 T38 I39 F351 F360V33-H35 PolarHBondContact O-N 3.4Å; H35-G37 PolarHBondContact ND1-N 3.44Å; H35-G37 PolarHBondContact O-N 2.89Å; H35-G37 VanDerWaalsContact O-N 3.07Å; H35-T38 PolarHBondContact N-OG1 3.11Å; H35-T38 PolarHBondContact O-N 3.22Å; H35-T38 PolarHBondContact O-OG1 3.36Å; H35-I39 WeakPolarHBondContact O-CG1 3.11Å; H35-I39 PolarHBondContact O-N 3.24Å; H35-I39 VanDerWaalsContact O-N 3.07Å; H35-F351 HydrophobicContact CB-CB 4.49Å; H35-F351 HydrophobicContact CB-CD1 3.67Å; H35-F351 HydrophobicContact CB-CE1 4.1Å; H35-F351 HydrophobicContact CB-CG 4.15Å; H35-F351 AromaticContact CE1-CD2 3.78Å; H35-F351 AromaticContact CE1-CG 3.87Å; H35-F351 AromaticContact CG-CD1 3.83Å; H35-F351 AromaticContact CG-CG 3.78Å; H35-F351 AromaticContact ND1-CD1 3.64Å; H35-F351 AromaticContact ND1-CD2 3.41Å; H35-F351 WeakPolarHBondContact ND1-CD2 3.33Å; H35-F351 AromaticContact ND1-CE2 3.85Å; H35-F351 AromaticContact ND1-CG 3.3Å; H35-F351 VanDerWaalsContact ND1-CG 3.3Å; H35-F351 WeakPolarHBondContact ND1-CG 3.37Å; H35-F360 HydrophobicContact CB-CD1 3.75Å; H35-F360 HydrophobicContact CB-CE1 3.8Å; H35-F360 HydrophobicContact CB-CG 4.25Å; H35-F360 HydrophobicContact CB-CZ 4.32Å
36L96Very high93.7Very high0 Ų019 Ų190%011%0.105CC..Hα-helixtrans-54.1-35.2-176.6-60.4-171000112.8I39 I40 F102 L344 F351 V359 A364 W374 L378 F390L36-I39 HydrophobicContact CD2-CD1 4.37Å; L36-I39 PolarHBondContact O-N 3.08Å; L36-I40 WeakPolarHBondContact O-CG2 3.39Å; L36-I40 PolarHBondContact O-N 2.99Å; L36-F102 HydrophobicContact CD2-CZ 3.81Å; L36-L344 HydrophobicContact CB-CD2 4.19Å; L36-F351 HydrophobicContact CB-CE1 4.28Å; L36-F351 HydrophobicContact CB-CZ 4.06Å; L36-V359 HydrophobicContact CD1-CB 3.76Å; L36-V359 HydrophobicContact CD1-CG1 3.9Å; L36-V359 HydrophobicContact CD2-CG1 4.13Å; L36-V359 HydrophobicContact CG-CB 3.97Å; L36-V359 HydrophobicContact CG-CG1 3.99Å; L36-V359 WeakPolarHBondContact CG-O 3.45Å; L36-V359 PolarHBondContact N-O 3.04Å; L36-A364 HydrophobicContact CD2-CB 4.44Å; L36-W374 HydrophobicContact CD1-CE3 3.93Å; L36-W374 HydrophobicContact CD1-CZ3 3.65Å; L36-L378 HydrophobicContact CB-CD1 4.31Å; L36-L378 HydrophobicContact CB-CD2 3.98Å; L36-L378 HydrophobicContact CD1-CD2 4.17Å; L36-L378 HydrophobicContact CD2-CD1 4.2Å; L36-F390 HydrophobicContact CD1-CD2 3.91Å; L36-F390 HydrophobicContact CD1-CE2 3.83Å; L36-F390 HydrophobicContact CD1-CZ 4.43Å
37G94.5Very high93.7Very high12 Ų1218.6 Ų18.612%0.12410%0.102CC..Hα-helixtrans-62.2-45175.300000114.3H35 I39 I40 G41H35-G37 PolarHBondContact ND1-N 3.44Å; H35-G37 PolarHBondContact O-N 2.89Å; H35-G37 VanDerWaalsContact O-N 3.07Å; G37-I39 VanDerWaalsContact C-N 3.29Å; G37-I39 PolarHBondContact O-N 3.24Å; G37-I40 WeakPolarHBondContact O-CG2 3.31Å; G37-G41 PolarHBondContact O-N 2.91Å
38T93.1Very high93.3Very high56 Ų5617.8 Ų17.834%0.34410%0.098SC..Hα-helixtrans-65.6-34.3173.549.60000112.3H35 C42H35-T38 PolarHBondContact N-OG1 3.11Å; H35-T38 PolarHBondContact O-N 3.22Å; H35-T38 PolarHBondContact O-OG1 3.36Å; T38-C42 PolarHBondContact O-N 2.95Å
39I96.9Very high93.1Very high0 Ų017 Ų170%09%0.091CC..Iπ-helixtrans-67.4-54179.9-67.1166.9000110.4P34 H35 L36 G37 V43 L44 V98 Y99 F102P34-I39 HydrophobicContact CB-CG1 4.43Å; H35-I39 WeakPolarHBondContact O-CG1 3.11Å; H35-I39 PolarHBondContact O-N 3.24Å; H35-I39 VanDerWaalsContact O-N 3.07Å; L36-I39 HydrophobicContact CD2-CD1 4.37Å; L36-I39 PolarHBondContact O-N 3.08Å; G37-I39 VanDerWaalsContact C-N 3.29Å; G37-I39 PolarHBondContact O-N 3.24Å; I39-V43 HydrophobicContact CB-CG2 4.43Å; I39-V43 HydrophobicContact CG2-CG2 4.17Å; I39-V43 PolarHBondContact O-N 2.74Å; I39-L44 HydrophobicContact CG2-CB 3.89Å; I39-L44 HydrophobicContact CG2-CD2 4.34Å; I39-L44 VanDerWaalsContact O-CB 3.3Å; I39-L44 WeakPolarHBondContact O-CB 3.48Å; I39-L44 PolarHBondContact O-N 3.43Å; I39-V98 HydrophobicContact CD1-CG1 4.16Å; I39-Y99 HydrophobicContact CG1-CE1 4.3Å; I39-F102 HydrophobicContact CD1-CD2 4.05Å; I39-F102 HydrophobicContact CD1-CE2 3.71Å; I39-F102 HydrophobicContact CD1-CZ 4.01Å; I39-F102 HydrophobicContact CG2-CD1 4.14Å; I39-F102 HydrophobicContact CG2-CE1 4.27Å; I39-F102 HydrophobicContact CG2-CG 4.44Å
40I94.7Very high93.2Very high1 Ų113.3 Ų13.31%0.0058%0.077CC..Iπ-helixtrans-65.9-40.4-178.5-173.453.9000112.3L36 G37 C42 L44 S45 L344 L378 L379 R382L36-I40 WeakPolarHBondContact O-CG2 3.39Å; L36-I40 PolarHBondContact O-N 2.99Å; G37-I40 WeakPolarHBondContact O-CG2 3.31Å; I40-C42 VanDerWaalsContact C-N 3.25Å; I40-C42 PolarHBondContact O-N 2.89Å; I40-L44 HydrophobicContact CD1-CD2 3.94Å; I40-L44 HydrophobicContact CD1-CG 4.34Å; I40-S45 PolarHBondContact O-OG 2.82Å; I40-L344 HydrophobicContact CG2-CB 4.09Å; I40-L344 HydrophobicContact CG2-CD2 3.87Å; I40-L378 HydrophobicContact CB-CB 4.18Å; I40-L378 HydrophobicContact CD1-CB 3.97Å; I40-L378 VanDerWaalsContact CD1-O 3.28Å; I40-L378 WeakPolarHBondContact CD1-O 3.22Å; I40-L378 HydrophobicContact CG1-CB 4.14Å; I40-L378 WeakPolarHBondContact CG1-O 3.31Å; I40-L379 HydrophobicContact CD1-CD2 3.73Å; I40-L379 HydrophobicContact CD1-CG 4.09Å; I40-R382 HydrophobicContact CD1-CB 4.24Å; I40-R382 HydrophobicContact CD1-CG 4.1Å; I40-R382 HydrophobicContact CG1-CB 4.39Å; I40-R382 HydrophobicContact CG1-CG 4.15Å
41G89.9Confident93.1Very high3 Ų313.6 Ų13.63%0.0318%0.078CC..Iπ-helixtrans-68.5-25.7-175.400000113.8G37 T341G37-G41 PolarHBondContact O-N 2.91Å; G41-T341 WeakPolarHBondContact CA-OG1 3.47Å
42C94.7Very high93.1Very high17 Ų1714 Ų1412%0.1158%0.079CC..Iπ-helixtrans-125.2-86.6-171.9-60.70000111S25 A26 T38 I40 L44 S45 A46S25-C42 VanDerWaalsContact OG-CB 3.29Å; S25-C42 WeakPolarHBondContact OG-CB 3.27Å; S25-C42 PolarHBondContact OG-O 2.97Å; A26-C42 HydrophobicContact CB-CB 4.4Å; T38-C42 PolarHBondContact O-N 2.95Å; I40-C42 VanDerWaalsContact C-N 3.25Å; I40-C42 PolarHBondContact O-N 2.89Å; C42-L44 PolarHBondContact O-N 2.76Å; C42-S45 PolarHBondContact O-N 3.39Å; C42-A46 WeakPolarHBondContact O-CB 3.43Å; C42-A46 PolarHBondContact O-N 3Å
43V97.6Very high93.1Very high2 Ų29.6 Ų9.61%0.0126%0.055CC..Iπ-helixtrans-67.2-38.4-163.5-63.80000113.7S25 I39 A46 D47 Y99 I104 F106S25-V43 WeakPolarHBondContact OG-CA 3.24Å; S25-V43 WeakPolarHBondContact OG-CG1 3.36Å; S25-V43 PolarHBondContact OG-N 3.2Å; S25-V43 VanDerWaalsContact OG-N 3.11Å; I39-V43 HydrophobicContact CB-CG2 4.43Å; I39-V43 HydrophobicContact CG2-CG2 4.17Å; I39-V43 PolarHBondContact O-N 2.74Å; V43-A46 PolarHBondContact O-N 3.49Å; V43-D47 WeakPolarHBondContact O-CB 3.49Å; V43-D47 PolarHBondContact O-N 3.3Å; V43-Y99 HydrophobicContact CG1-CE1 4.47Å; V43-Y99 HydrophobicContact CG2-CD1 3.93Å; V43-Y99 HydrophobicContact CG2-CE1 3.8Å; V43-I104 HydrophobicContact CB-CG2 4.35Å; V43-I104 HydrophobicContact CG2-CD1 4.46Å; V43-I104 HydrophobicContact CG2-CG1 4.41Å; V43-F106 HydrophobicContact CB-CE1 4.47Å; V43-F106 HydrophobicContact CB-CZ 4.03Å; V43-F106 HydrophobicContact CG1-CE1 4.26Å; V43-F106 HydrophobicContact CG1-CZ 3.78Å
44L96.1Very high93Very high0 Ų011.4 Ų11.40%06%0.06CC..Iπ-helixtrans-73.1-38.5179.917859.1000111.7I39 I40 C42 A46 D47 V48 I104 R375 L378 L379I39-L44 HydrophobicContact CG2-CB 3.89Å; I39-L44 HydrophobicContact CG2-CD2 4.34Å; I39-L44 VanDerWaalsContact O-CB 3.3Å; I39-L44 WeakPolarHBondContact O-CB 3.48Å; I39-L44 PolarHBondContact O-N 3.43Å; I40-L44 HydrophobicContact CD1-CD2 3.94Å; I40-L44 HydrophobicContact CD1-CG 4.34Å; C42-L44 PolarHBondContact O-N 2.76Å; L44-A46 VanDerWaalsContact C-N 3.35Å; L44-D47 PolarHBondContact O-N 3.33Å; L44-V48 WeakPolarHBondContact O-CG2 3.39Å; L44-V48 PolarHBondContact O-N 3.4Å; L44-I104 HydrophobicContact CB-CD1 4.21Å; L44-I104 HydrophobicContact CD1-CD1 4.06Å; L44-R375 HydrophobicContact CD1-CB 4.27Å; L44-R375 HydrophobicContact CD1-CG 3.84Å; L44-R375 VanDerWaalsContact CD1-NH1 3.31Å; L44-R375 HydrophobicContact CD2-CG 4.49Å; L44-L378 HydrophobicContact CD2-CB 4.04Å; L44-L378 HydrophobicContact CD2-CD1 4.19Å; L44-L379 HydrophobicContact CD1-CD1 4.15Å; L44-L379 HydrophobicContact CD2-CD1 4.39Å; L44-L379 HydrophobicContact CD2-CG 4.11Å; L44-L379 HydrophobicContact CG-CD1 4.22Å; L44-L379 HydrophobicContact CG-CD2 4.19Å; L44-L379 HydrophobicContact CG-CG 4.16Å
45S93.8Very high92.6Very high0 Ų012.6 Ų12.60%07%0.066CC..Hα-helixtrans-61.9-44.4173.4-71.40000111.5I40 C42 F49 R382 L416I40-S45 PolarHBondContact O-OG 2.82Å; C42-S45 PolarHBondContact O-N 3.39Å; S45-F49 PolarHBondContact O-N 3.02Å; S45-R382 PolarHBondContact OG-NE 3.37Å; S45-R382 PolarHBondContact OG-NH2 2.8Å; S45-L416 WeakPolarHBondContact O-CD1 3.41Å
46A95.5Very high92Very high0 Ų015.1 Ų15.10%07%0.074CC..Hα-helixtrans-65.6-38.9178.100000112.5I23 C42 V43 L44 F49 S50 F62 F308I23-A46 HydrophobicContact CG2-CB 4.08Å; C42-A46 WeakPolarHBondContact O-CB 3.43Å; C42-A46 PolarHBondContact O-N 3Å; V43-A46 PolarHBondContact O-N 3.49Å; L44-A46 VanDerWaalsContact C-N 3.35Å; A46-F49 PolarHBondContact O-N 3.3Å; A46-S50 WeakPolarHBondContact O-CB 3.36Å; A46-S50 PolarHBondContact O-N 3.28Å; A46-F62 HydrophobicContact CB-CD2 4.43Å; A46-F62 HydrophobicContact CB-CE1 4.47Å; A46-F62 HydrophobicContact CB-CE2 3.44Å; A46-F62 VanDerWaalsContact CB-CE2 3.44Å; A46-F62 HydrophobicContact CB-CZ 3.45Å; A46-F62 VanDerWaalsContact CB-CZ 3.45Å; A46-F308 HydrophobicContact CB-CB 3.78Å; A46-F308 HydrophobicContact CB-CD1 4.32Å; A46-F308 HydrophobicContact CB-CD2 3.62Å; A46-F308 HydrophobicContact CB-CE2 4.31Å; A46-F308 HydrophobicContact CB-CG 3.63Å
47D96.4Very high91.6Very high0 Ų017.7 Ų17.70%010%0.1CC..Hα-helixtrans-61.6-46178.2-176.363.2000112.5V43 L44 F49 S50 R51 F62 I104 E105 R375V43-D47 WeakPolarHBondContact O-CB 3.49Å; V43-D47 PolarHBondContact O-N 3.3Å; L44-D47 PolarHBondContact O-N 3.33Å; D47-F49 VanDerWaalsContact C-N 3.29Å; D47-F49 PolarHBondContact O-N 2.88Å; D47-S50 PolarHBondContact O-N 3.44Å; D47-R51 WeakPolarHBondContact O-CB 3.14Å; D47-R51 VanDerWaalsContact O-CG 3.32Å; D47-R51 WeakPolarHBondContact O-CG 3.4Å; D47-R51 PolarHBondContact O-N 2.83Å; D47-R51 IonicContact OD1-CZ 2.78Å; D47-R51 IonicContact OD1-NE 2.95Å; D47-R51 PolarHBondContact OD1-NE 3.08Å; D47-R51 IonicContact OD1-NH2 2.94Å; D47-R51 IonicContact OD2-CZ 2.75Å; D47-R51 IonicContact OD2-NE 3.5Å; D47-R51 PolarHBondContact OD2-NE 3Å; D47-R51 IonicContact OD2-NH2 3.92Å; D47-F62 HydrophobicContact CB-CE1 4.18Å; D47-I104 HydrophobicContact CB-CD1 3.96Å; D47-I104 HydrophobicContact CB-CG2 4.14Å; D47-E105 PolarHBondContact OD1-N 3.31Å; D47-R375 IonicContact OD2-CZ 2.78Å; D47-R375 VanDerWaalsContact OD2-CZ 3.22Å; D47-R375 IonicContact OD2-NH1 3.84Å; D47-R375 PolarHBondContact OD2-NH1 2.84Å; D47-R375 IonicContact OD2-NH2 3.36Å; D47-R375 PolarHBondContact OD2-NH2 3.48Å
48V90Very high91.4Very high1 Ų119.1 Ų19.11%0.00610%0.103CC..Hα-helixtrans-56.6-46.6175.8170.50000110.6L44 Y52 L379 L416 P477 F478L44-V48 WeakPolarHBondContact O-CG2 3.39Å; L44-V48 PolarHBondContact O-N 3.4Å; V48-Y52 WeakPolarHBondContact O-CB 3.33Å; V48-Y52 PolarHBondContact O-N 2.85Å; V48-L379 HydrophobicContact CG2-CD1 3.51Å; V48-L379 HydrophobicContact CG2-CD2 3.74Å; V48-L379 HydrophobicContact CG2-CG 4.3Å; V48-L416 HydrophobicContact CB-CD1 4.43Å; V48-L416 HydrophobicContact CG1-CD1 4.23Å; V48-P477 HydrophobicContact CG1-CB 4.06Å; V48-P477 WeakPolarHBondContact CG2-O 3.42Å; V48-F478 HydrophobicContact CG1-CD1 3.97Å; V48-F478 HydrophobicContact CG1-CE1 3.48Å; V48-F478 VanDerWaalsContact CG1-CE1 3.48Å; V48-F478 HydrophobicContact CG1-CZ 3.92Å; V48-F478 HydrophobicContact CG2-CD1 4.23Å; V48-F478 HydrophobicContact CG2-CE1 4.49Å
49F89.9Confident91.5Very high6 Ų617 Ų173%0.0269%0.09CC..Hα-helixtrans-65.9-42.7178.7-173.6-109.8000112I21 I23 S45 A46 D47 R51 Y52 C53 Y306 F308 L416 M419I21-F49 HydrophobicContact CG2-CE1 4.09Å; I23-F49 HydrophobicContact CD1-CD1 3.61Å; I23-F49 HydrophobicContact CD1-CE1 4.1Å; I23-F49 HydrophobicContact CG1-CD1 4.08Å; I23-F49 HydrophobicContact CG1-CE1 4.3Å; S45-F49 PolarHBondContact O-N 3.02Å; A46-F49 PolarHBondContact O-N 3.3Å; D47-F49 VanDerWaalsContact C-N 3.29Å; D47-F49 PolarHBondContact O-N 2.88Å; F49-R51 PolarHBondContact O-N 2.83Å; F49-Y52 WeakPolarHBondContact O-CB 3.44Å; F49-Y52 PolarHBondContact O-N 2.85Å; F49-C53 WeakPolarHBondContact CE1-SG 3.39Å; F49-C53 VanDerWaalsContact CZ-SG 3.51Å; F49-C53 PolarHBondContact O-N 3.45Å; F49-C53 PolarHBondContact O-SG 3.15Å; F49-Y306 HydrophobicContact CD1-CD1 4.25Å; F49-Y306 HydrophobicContact CD1-CG 4.35Å; F49-Y306 AromaticContact CE1-CD1 3.44Å; F49-Y306 HydrophobicContact CE1-CD1 3.44Å; F49-Y306 VanDerWaalsContact CE1-CD1 3.44Å; F49-Y306 AromaticContact CE1-CD2 3.86Å; F49-Y306 HydrophobicContact CE1-CD2 3.86Å; F49-Y306 AromaticContact CE1-CE1 3.71Å; F49-Y306 HydrophobicContact CE1-CE1 3.71Å; F49-Y306 HydrophobicContact CE1-CE2 4.07Å; F49-Y306 AromaticContact CE1-CG 3.54Å; F49-Y306 HydrophobicContact CE1-CG 3.54Å; F49-Y306 HydrophobicContact CE2-CD1 4.49Å; F49-Y306 HydrophobicContact CE2-CE1 4.18Å; F49-Y306 AromaticContact CZ-CD1 3.61Å; F49-Y306 HydrophobicContact CZ-CD1 3.61Å; F49-Y306 HydrophobicContact CZ-CD2 4.3Å; F49-Y306 AromaticContact CZ-CE1 3.35Å; F49-Y306 HydrophobicContact CZ-CE1 3.35Å; F49-Y306 HydrophobicContact CZ-CE2 4.07Å; F49-Y306 HydrophobicContact CZ-CG 4.09Å; F49-Y306 AromaticContact CZ-CZ 3.59Å; F49-F308 HydrophobicContact CB-CE1 4.27Å; F49-F308 HydrophobicContact CB-CE2 3.95Å; F49-F308 HydrophobicContact CB-CZ 3.41Å; F49-F308 VanDerWaalsContact CB-CZ 3.41Å; F49-F308 AromaticContact CD1-CE2 3.76Å; F49-F308 HydrophobicContact CD1-CE2 3.76Å; F49-F308 AromaticContact CD1-CZ 3.83Å; F49-F308 HydrophobicContact CD1-CZ 3.83Å; F49-F308 HydrophobicContact CD2-CZ 4.45Å; F49-F308 HydrophobicContact CG-CE2 4.07Å; F49-F308 AromaticContact CG-CZ 3.65Å; F49-F308 HydrophobicContact CG-CZ 3.65Å; F49-L416 HydrophobicContact CB-CD1 3.97Å; F49-M419 HydrophobicContact CD2-CE 3.75Å; F49-M419 HydrophobicContact CD2-CG 4Å; F49-M419 HydrophobicContact CE2-CG 4.02Å
50S93.3Very high91.4Very high0 Ų017.2 Ų17.20%09%0.091CC..Hα-helixtrans-58.8-49.2177.5-176.20000112.3A46 D47 Y52 C53 R54 F62A46-S50 WeakPolarHBondContact O-CB 3.36Å; A46-S50 PolarHBondContact O-N 3.28Å; D47-S50 PolarHBondContact O-N 3.44Å; S50-Y52 VanDerWaalsContact C-N 3.32Å; S50-Y52 PolarHBondContact O-N 3.07Å; S50-C53 PolarHBondContact O-N 2.82Å; S50-R54 WeakPolarHBondContact O-CG 3.48Å; S50-R54 PolarHBondContact O-N 3.43Å; S50-R54 PolarHBondContact OG-NH1 3.12Å; S50-R54 PolarHBondContact OG-NH2 3.21Å; S50-F62 WeakPolarHBondContact OG-CB 3.17Å
51R90.8Very high91.5Very high6 Ų617.1 Ų17.12%0.0239%0.09CC..Hα-helixtrans-59.3-43.2176.8-72.9177.1-176.7-76.14.6111.9D47 F49 R54 L55 N103 E105 P477D47-R51 WeakPolarHBondContact O-CB 3.14Å; D47-R51 VanDerWaalsContact O-CG 3.32Å; D47-R51 WeakPolarHBondContact O-CG 3.4Å; D47-R51 PolarHBondContact O-N 2.83Å; D47-R51 IonicContact OD1-CZ 2.78Å; D47-R51 IonicContact OD1-NE 2.95Å; D47-R51 PolarHBondContact OD1-NE 3.08Å; D47-R51 IonicContact OD1-NH2 2.94Å; D47-R51 IonicContact OD2-CZ 2.75Å; D47-R51 IonicContact OD2-NE 3.5Å; D47-R51 PolarHBondContact OD2-NE 3Å; D47-R51 IonicContact OD2-NH2 3.92Å; F49-R51 PolarHBondContact O-N 2.83Å; R51-R54 PolarHBondContact O-N 3.31Å; R51-L55 WeakPolarHBondContact O-CG 3.02Å; R51-L55 PolarHBondContact O-N 2.85Å; R51-N103 PolarHBondContact NH2-O 2.68Å; R51-N103 PolarHBondContact NH2-OD1 2.68Å; R51-E105 IonicContact CZ-OE2 2.63Å; R51-E105 IonicContact NH1-OE2 3.72Å; R51-E105 PolarHBondContact NH1-OE2 3.01Å; R51-P477 HydrophobicContact CB-CB 3.91Å; R51-P477 HydrophobicContact CB-CG 4.17Å
52Y85.3Confident91.8Very high22 Ų2217 Ų179%0.0869%0.089CC..Hα-helixtrans-60.7-47.7173.9169.6-95.5000112.6V48 F49 S50 R54 L55 R56 M419 L497V48-Y52 WeakPolarHBondContact O-CB 3.33Å; V48-Y52 PolarHBondContact O-N 2.85Å; F49-Y52 WeakPolarHBondContact O-CB 3.44Å; F49-Y52 PolarHBondContact O-N 2.85Å; S50-Y52 VanDerWaalsContact C-N 3.32Å; S50-Y52 PolarHBondContact O-N 3.07Å; Y52-R54 VanDerWaalsContact C-N 3.27Å; Y52-R54 PolarHBondContact O-N 3.45Å; Y52-L55 WeakPolarHBondContact O-CB 3.33Å; Y52-L55 PolarHBondContact O-N 2.87Å; Y52-L55 VanDerWaalsContact O-N 3.12Å; Y52-R56 HydrophobicContact CD1-CG 4.24Å; Y52-R56 HydrophobicContact CD2-CG 4.43Å; Y52-R56 HydrophobicContact CE1-CG 3.75Å; Y52-R56 HydrophobicContact CE2-CG 3.98Å; Y52-R56 WeakPolarHBondContact O-CG 3.05Å; Y52-R56 PolarHBondContact O-N 2.69Å; Y52-R56 PolarHBondContact OH-NH1 3.39Å; Y52-M419 HydrophobicContact CD1-CE 3.54Å; Y52-M419 HydrophobicContact CD1-CG 4.24Å; Y52-M419 HydrophobicContact CD1-SD 3.46Å; Y52-M419 WeakPolarHBondContact CD1-SD 3.27Å; Y52-M419 HydrophobicContact CD2-CE 3.96Å; Y52-M419 HydrophobicContact CD2-SD 3.6Å; Y52-M419 HydrophobicContact CE1-CE 4.31Å; Y52-M419 HydrophobicContact CE1-CG 4.15Å; Y52-M419 HydrophobicContact CE1-SD 3.61Å; Y52-M419 HydrophobicContact CE2-SD 3.73Å; Y52-M419 HydrophobicContact CG-CE 3.32Å; Y52-M419 HydrophobicContact CG-SD 3.44Å; Y52-L497 HydrophobicContact CE2-CD2 4.23Å
53C87.2Confident92Very high1 Ų116.2 Ų16.21%0.0078%0.083CC..Hα-helixtrans-59.4-40.9179.1-67.60000111.6F49 S50 R56 G57 F58 T60F49-C53 WeakPolarHBondContact CE1-SG 3.39Å; F49-C53 VanDerWaalsContact CZ-SG 3.51Å; F49-C53 PolarHBondContact O-N 3.45Å; F49-C53 PolarHBondContact O-SG 3.15Å; S50-C53 PolarHBondContact O-N 2.82Å; C53-R56 PolarHBondContact O-N 3.02Å; C53-G57 PolarHBondContact O-N 3.27Å; C53-F58 HydrophobicContact CB-CB 4.31Å; C53-F58 HydrophobicContact CB-CD2 3.96Å; C53-F58 WeakPolarHBondContact O-CB 3.48Å; C53-F58 PolarHBondContact O-N 3.34Å; C53-T60 HydrophobicContact CB-CG2 4.05Å; C53-T60 WeakPolarHBondContact CB-OG1 3.44Å
54R89.8Confident92Very high59 Ų5916.1 Ų16.122%0.2238%0.083CC..Hα-helixtrans-62.5-42.7174.6-67.7175.3-174136.51.5111.9S50 R51 Y52 R56 G57 E105 D107S50-R54 WeakPolarHBondContact O-CG 3.48Å; S50-R54 PolarHBondContact O-N 3.43Å; S50-R54 PolarHBondContact OG-NH1 3.12Å; S50-R54 PolarHBondContact OG-NH2 3.21Å; R51-R54 PolarHBondContact O-N 3.31Å; Y52-R54 VanDerWaalsContact C-N 3.27Å; Y52-R54 PolarHBondContact O-N 3.45Å; R54-R56 VanDerWaalsContact C-N 3.25Å; R54-R56 PolarHBondContact O-N 2.87Å; R54-G57 PolarHBondContact O-N 2.95Å; R54-E105 VanDerWaalsContact NH1-CD 3.3Å; R54-E105 PolarHBondContact NH1-O 3.08Å; R54-E105 IonicContact NH1-OE2 3.92Å; R54-E105 PolarHBondContact NH1-OE2 2.94Å; R54-E105 PolarHBondContact NH2-O 3.22Å; R54-D107 IonicContact CZ-OD2 3.31Å; R54-D107 VanDerWaalsContact NH2-CG 3.28Å; R54-D107 IonicContact NH2-OD1 3.49Å; R54-D107 PolarHBondContact NH2-OD1 3.08Å; R54-D107 IonicContact NH2-OD2 2.65Å; R54-D107 PolarHBondContact NH2-OD2 3.36Å
55L84.6Confident92.1Very high31 Ų3116.1 Ų16.116%0.1628%0.083CC..Hα-helixtrans-64.1-28.4174.9-73.5172.8000113.4R51 Y52 G57 P473 Q476 P477 L497R51-L55 WeakPolarHBondContact O-CG 3.02Å; R51-L55 PolarHBondContact O-N 2.85Å; Y52-L55 WeakPolarHBondContact O-CB 3.33Å; Y52-L55 PolarHBondContact O-N 2.87Å; Y52-L55 VanDerWaalsContact O-N 3.12Å; L55-G57 PolarHBondContact O-N 3.45Å; L55-P473 WeakPolarHBondContact CD1-O 3.38Å; L55-Q476 HydrophobicContact CD1-CB 4.38Å; L55-P477 HydrophobicContact CD1-CG 3.78Å; L55-L497 HydrophobicContact CB-CB 4.36Å
56R82.8Confident92.3Very high101 Ų10116.1 Ų16.138%0.3818%0.083SC..THydrogen-bonded Turntrans-78.3-3.9172-66.2-60.1-59.1-83.53.7113.5Y52 C53 R54 F58Y52-R56 HydrophobicContact CD1-CG 4.24Å; Y52-R56 HydrophobicContact CD2-CG 4.43Å; Y52-R56 HydrophobicContact CE1-CG 3.75Å; Y52-R56 HydrophobicContact CE2-CG 3.98Å; Y52-R56 WeakPolarHBondContact O-CG 3.05Å; Y52-R56 PolarHBondContact O-N 2.69Å; Y52-R56 PolarHBondContact OH-NH1 3.39Å; C53-R56 PolarHBondContact O-N 3.02Å; R54-R56 VanDerWaalsContact C-N 3.25Å; R54-R56 PolarHBondContact O-N 2.87Å; R56-F58 VanDerWaalsContact C-N 3.29Å; R56-F58 HydrophobicContact CB-CD1 4.1Å; R56-F58 HydrophobicContact CB-CD2 3.96Å; R56-F58 HydrophobicContact CB-CE1 3.88Å; R56-F58 HydrophobicContact CB-CE2 3.74Å; R56-F58 HydrophobicContact CB-CG 4.13Å; R56-F58 HydrophobicContact CB-CZ 3.69Å; R56-F58 HydrophobicContact CG-CE2 4.15Å; R56-F58 HydrophobicContact CG-CZ 4.22Å
57G87.2Confident92.4Very high54 Ų5416.4 Ų16.456%0.5579%0.085SC*.THydrogen-bonded Turntrans7516.2-177.600000114C53 R54 L55C53-G57 PolarHBondContact O-N 3.27Å; R54-G57 PolarHBondContact O-N 2.95Å; L55-G57 PolarHBondContact O-N 3.45Å
58F90.2Very high92.4Very high41 Ų4116.4 Ų16.418%0.189%0.085CC..  trans-70.9149.1173.8-55.8-24.6000110.2R19 I21 C53 R56 T60R19-F58 HydrophobicContact CB-CD1 4.13Å; R19-F58 HydrophobicContact CB-CG 4.48Å; I21-F58 HydrophobicContact CG1-CB 4.03Å; I21-F58 HydrophobicContact CG1-CD2 4.15Å; I21-F58 HydrophobicContact CG1-CG 4.41Å; C53-F58 HydrophobicContact CB-CB 4.31Å; C53-F58 HydrophobicContact CB-CD2 3.96Å; C53-F58 WeakPolarHBondContact O-CB 3.48Å; C53-F58 PolarHBondContact O-N 3.34Å; R56-F58 VanDerWaalsContact C-N 3.29Å; R56-F58 HydrophobicContact CB-CD1 4.1Å; R56-F58 HydrophobicContact CB-CD2 3.96Å; R56-F58 HydrophobicContact CB-CE1 3.88Å; R56-F58 HydrophobicContact CB-CE2 3.74Å; R56-F58 HydrophobicContact CB-CG 4.13Å; R56-F58 HydrophobicContact CB-CZ 3.69Å; R56-F58 HydrophobicContact CG-CE2 4.15Å; R56-F58 HydrophobicContact CG-CZ 4.22Å; F58-T60 PolarHBondContact O-N 2.8Å; F58-T60 VanDerWaalsContact O-N 3.16Å; F58-T60 PolarHBondContact O-OG1 3.39Å
59N94.2Very high92.7Very high13 Ų1317.4 Ų17.47%0.079%0.088CC..EExtended strand (participates in β ladder)trans-79.4100.2173.5-171.144000107.8I12 V13 Q15 R19 N20 I21I12-N59 WeakPolarHBondContact CG2-OD1 3.47Å; V13-N59 PolarHBondContact O-ND2 3Å; Q15-N59 PolarHBondContact N-ND2 2.94Å; Q15-N59 PolarHBondContact NE2-OD1 3.29Å; R19-N59 PolarHBondContact O-N 3.48Å; N20-N59 CarbonylContact C-O 3.24Å; N20-N59 WeakPolarHBondContact CA-O 3.45Å; N20-N59 WeakPolarHBondContact OD1-CB 3.4Å; N20-N59 PolarHBondContact OD1-ND2 2.84Å; I21-N59 PolarHBondContact N-O 3.11Å
60T94.8Very high92.7Very high3 Ų317.6 Ų17.62%0.0189%0.092CC..EExtended strand (participates in β ladder)trans-112.6125.4-168.8-58.50000111I12 I21 I23 C53 F58I12-T60 WeakPolarHBondContact CD1-O 3.19Å; I21-T60 WeakPolarHBondContact O-CA 3.37Å; I23-T60 HydrophobicContact CD1-CG2 3.46Å; I23-T60 VanDerWaalsContact CD1-CG2 3.46Å; I23-T60 HydrophobicContact CG1-CG2 4.19Å; C53-T60 HydrophobicContact CB-CG2 4.05Å; C53-T60 WeakPolarHBondContact CB-OG1 3.44Å; F58-T60 PolarHBondContact O-N 2.8Å; F58-T60 VanDerWaalsContact O-N 3.16Å; F58-T60 PolarHBondContact O-OG1 3.39Å
61L96.8Very high92.4Very high0 Ų019.1 Ų19.10%010%0.101CC..EExtended strand (participates in β ladder)trans-115.5115.5171.9178.462.8000109.1I12 I21 L22 I23 I63 D107 T285 Y288 L289 W296I12-L61 HydrophobicContact CB-CD1 4.28Å; I21-L61 PolarHBondContact O-N 2.93Å; L22-L61 HydrophobicContact CD1-CB 4.12Å; L22-L61 HydrophobicContact CD1-CD2 3.92Å; L22-L61 HydrophobicContact CD1-CG 3.98Å; I23-L61 PolarHBondContact N-O 3.47Å; L61-I63 HydrophobicContact CD1-CD1 3.93Å; L61-I63 HydrophobicContact CD1-CG1 4.28Å; L61-I63 HydrophobicContact CD2-CG1 4.31Å; L61-I63 HydrophobicContact CG-CD1 4.16Å; L61-I63 HydrophobicContact CG-CG1 3.95Å; L61-D107 HydrophobicContact CD1-CB 3.74Å; L61-T285 HydrophobicContact CD2-CG2 4.11Å; L61-Y288 HydrophobicContact CD1-CD1 4.02Å; L61-Y288 HydrophobicContact CD1-CE1 3.64Å; L61-L289 HydrophobicContact CD2-CD1 4.25Å; L61-W296 HydrophobicContact CB-CD2 4.42Å; L61-W296 HydrophobicContact CB-CE3 4.4Å; L61-W296 HydrophobicContact CB-CH2 3.76Å; L61-W296 HydrophobicContact CB-CZ2 3.78Å; L61-W296 HydrophobicContact CB-CZ3 4.08Å; L61-W296 HydrophobicContact CD2-CD2 3.78Å; L61-W296 HydrophobicContact CD2-CE3 4.39Å; L61-W296 HydrophobicContact CD2-CG 3.91Å; L61-W296 HydrophobicContact CD2-CZ2 4.23Å
62F97.5Very high92.2Very high0 Ų020.1 Ų20.10%011%0.111CC..EExtended strand (participates in β ladder)trans-110110.3-179.7179.3-150.4000111.5I23 A46 D47 S50 I104 E105 F106 D107I23-F62 HydrophobicContact CB-CB 4.3Å; I23-F62 HydrophobicContact CB-CD2 3.86Å; I23-F62 HydrophobicContact CB-CG 4.39Å; I23-F62 HydrophobicContact CG2-CD2 3.61Å; I23-F62 HydrophobicContact CG2-CE2 3.99Å; I23-F62 HydrophobicContact CG2-CG 4.39Å; I23-F62 WeakPolarHBondContact O-CA 3.33Å; A46-F62 HydrophobicContact CB-CD2 4.43Å; A46-F62 HydrophobicContact CB-CE1 4.47Å; A46-F62 HydrophobicContact CB-CE2 3.44Å; A46-F62 VanDerWaalsContact CB-CE2 3.44Å; A46-F62 HydrophobicContact CB-CZ 3.45Å; A46-F62 VanDerWaalsContact CB-CZ 3.45Å; D47-F62 HydrophobicContact CB-CE1 4.18Å; S50-F62 WeakPolarHBondContact OG-CB 3.17Å; F62-I104 HydrophobicContact CE1-CG2 3.96Å; F62-I104 HydrophobicContact CZ-CG2 4.36Å; F62-E105 WeakPolarHBondContact CD1-O 3.42Å; F62-F106 AromaticContact CD1-CD1 3.87Å; F62-F106 HydrophobicContact CD1-CD1 3.87Å; F62-F106 HydrophobicContact CD2-CD1 4.33Å; F62-F106 AromaticContact CE1-CD1 3.43Å; F62-F106 HydrophobicContact CE1-CD1 3.43Å; F62-F106 VanDerWaalsContact CE1-CD1 3.43Å; F62-F106 AromaticContact CE1-CE1 3.68Å; F62-F106 HydrophobicContact CE1-CE1 3.68Å; F62-F106 HydrophobicContact CE1-CG 4.32Å; F62-F106 AromaticContact CE2-CD1 3.93Å; F62-F106 HydrophobicContact CE2-CD1 3.93Å; F62-F106 AromaticContact CE2-CE1 3.92Å; F62-F106 HydrophobicContact CE2-CE1 3.92Å; F62-F106 HydrophobicContact CG-CD1 4.3Å; F62-F106 AromaticContact CZ-CD1 3.46Å; F62-F106 HydrophobicContact CZ-CD1 3.46Å; F62-F106 VanDerWaalsContact CZ-CD1 3.46Å; F62-F106 AromaticContact CZ-CE1 3.32Å; F62-F106 HydrophobicContact CZ-CE1 3.32Å; F62-F106 HydrophobicContact CZ-CZ 4.47Å; F62-D107 PolarHBondContact N-OD2 2.92Å; F62-D107 PolarHBondContact O-N 3.18Å
63I97.9Very high92.6Very high0 Ų019.2 Ų19.20%011%0.107CC..EExtended strand (participates in β ladder)trans-114.2137.2-175-62.4-61000111L22 I23 T24 S25 L61 I284 Y288L22-I63 HydrophobicContact CD1-CG1 4.46Å; I23-I63 PolarHBondContact O-N 2.58Å; T24-I63 WeakPolarHBondContact CA-O 3.18Å; S25-I63 PolarHBondContact N-O 3.34Å; L61-I63 HydrophobicContact CD1-CD1 3.93Å; L61-I63 HydrophobicContact CD1-CG1 4.28Å; L61-I63 HydrophobicContact CD2-CG1 4.31Å; L61-I63 HydrophobicContact CG-CD1 4.16Å; L61-I63 HydrophobicContact CG-CG1 3.95Å; I63-I284 HydrophobicContact CG2-CB 3.95Å; I63-I284 HydrophobicContact CG2-CG2 3.34Å; I63-Y288 HydrophobicContact CD1-CD1 4.35Å
64C98.4Very high92.7Very high0 Ų019.6 Ų19.60%011%0.109CC..EExtended strand (participates in β ladder)trans-150.4-178166.1-165.80000109F106 Y108 F109 G110C64-F106 HydrophobicContact CB-CD1 3.62Å; C64-F106 HydrophobicContact CB-CE1 3.2Å; C64-F106 HydrophobicContact CB-CZ 3.82Å; C64-Y108 PolarHBondContact N-O 2.82Å; C64-F109 HydrophobicContact CB-CD2 3.95Å; C64-F109 HydrophobicContact CB-CE2 4.15Å; C64-F109 CarbonylContact O-C 3.5Å; C64-F109 VanDerWaalsContact O-CA 3.31Å; C64-F109 WeakPolarHBondContact O-CA 3.36Å; C64-G110 PolarHBondContact O-N 3.48Å
65G97.9Very high92.6Very high0 Ų017.7 Ų17.70%010%0.104CC..EExtended strand (participates in β ladder)trans176.2-174.6176.900000111.2L27 P28 G110L27-G65 WeakPolarHBondContact CA-O 3.37Å; P28-G65 WeakPolarHBondContact CD-O 3.21Å; G65-G110 CarbonylContact C-O 3.52Å; G65-G110 WeakPolarHBondContact CA-O 3.43Å
66T98.3Very high92.8Very high0 Ų019 Ų190%011%0.108CC..EExtended strand (participates in β ladder)trans-92.9137.1176.738.30000111.7V30 E68 Y92 H95 F109 G110 T112V30-T66 HydrophobicContact CB-CG2 4.14Å; V30-T66 HydrophobicContact CG2-CG2 3.8Å; T66-E68 PolarHBondContact OG1-OE1 2.99Å; T66-Y92 HydrophobicContact CG2-CD2 3.94Å; T66-Y92 VanDerWaalsContact OG1-CD2 3.31Å; T66-Y92 WeakPolarHBondContact OG1-CD2 3.49Å; T66-H95 HydrophobicContact CG2-CB 4.22Å; T66-F109 HydrophobicContact CG2-CE1 4.23Å; T66-F109 HydrophobicContact CG2-CZ 4.07Å; T66-G110 PolarHBondContact N-O 3.22Å; T66-G110 VanDerWaalsContact N-O 3.11Å; T66-T112 PolarHBondContact O-N 2.9Å; T66-T112 VanDerWaalsContact O-N 3.13Å; T66-T112 PolarHBondContact O-OG1 3.43Å
67D97.3Very high93.2Very high7 Ų714.2 Ų14.24%0.0379%0.091CC..BIsolated β-bridgetrans-87.1113.8165-173.24.6000109.4L27 P28 Y29 V30 V273 A277L27-D67 HydrophobicContact CB-CB 3.97Å; P28-D67 PolarHBondContact O-N 2.78Å; Y29-D67 HydrophobicContact CD1-CB 4.37Å; Y29-D67 WeakPolarHBondContact CE1-OD2 3.42Å; V30-D67 PolarHBondContact N-O 3.19Å; D67-V273 VanDerWaalsContact OD1-CG2 3.26Å; D67-V273 WeakPolarHBondContact OD1-CG2 3.39Å; D67-V273 VanDerWaalsContact OD2-CG2 3.26Å; D67-V273 WeakPolarHBondContact OD2-CG2 3.36Å; D67-A277 WeakPolarHBondContact OD2-CB 3.42Å
68E97.3Very high93.3Very high0 Ų015.8 Ų15.80%09%0.085CC..  trans-110.3-17.1-164.2-57-159.4178.300114.5V30 T66 T73 C88 R111 T112 S113 W257V30-E68 HydrophobicContact CB-CG 4.1Å; V30-E68 HydrophobicContact CG1-CB 4.17Å; V30-E68 HydrophobicContact CG1-CG 4.06Å; V30-E68 HydrophobicContact CG2-CG 4.38Å; T66-E68 PolarHBondContact OG1-OE1 2.99Å; E68-T73 WeakPolarHBondContact O-CB 3.31Å; E68-T73 WeakPolarHBondContact O-CG2 3.37Å; E68-T73 PolarHBondContact O-OG1 2.87Å; E68-C88 HydrophobicContact CB-CB 4.45Å; E68-C88 VanDerWaalsContact OE2-CB 3.28Å; E68-C88 WeakPolarHBondContact OE2-CB 3.44Å; E68-R111 WeakPolarHBondContact OE1-CB 3.47Å; E68-R111 WeakPolarHBondContact OE1-CG 3.48Å; E68-R111 IonicContact OE1-CZ 3.12Å; E68-R111 IonicContact OE1-NE 3.99Å; E68-R111 PolarHBondContact OE1-NE 3.24Å; E68-R111 IonicContact OE1-NH2 2.76Å; E68-R111 PolarHBondContact OE1-NH2 3.12Å; E68-R111 IonicContact OE2-CZ 3.58Å; E68-R111 IonicContact OE2-NE 3.08Å; E68-R111 PolarHBondContact OE2-NE 2.81Å; E68-R111 IonicContact OE2-NH2 3.79Å; E68-R111 PolarHBondContact OE2-NH2 3.49Å; E68-T112 PolarHBondContact N-OG1 3.17Å; E68-S113 PolarHBondContact OE2-OG 2.84Å; E68-W257 PolarHBondContact O-NE1 3.26Å
69Y95.4Very high93.2Very high22 Ų2219.9 Ų19.99%0.08611%0.105CC..  trans-90.1167.7-173.7-69.3-50.5000113.2S113 Q117 W257 T259Y69-S113 WeakPolarHBondContact OH-CA 3.1Å; Y69-Q117 HydrophobicContact CE2-CG 4.26Å; Y69-W257 AromaticContact CD1-CD1 3.87Å; Y69-W257 HydrophobicContact CD1-CD2 4.13Å; Y69-W257 AromaticContact CD1-CE2 3.84Å; Y69-W257 HydrophobicContact CD1-CG 4.16Å; Y69-W257 HydrophobicContact CD1-CZ2 4.41Å; Y69-W257 AromaticContact CD1-NE1 3.65Å; Y69-W257 HydrophobicContact CE1-CD2 4.23Å; Y69-W257 AromaticContact CE1-CE2 4Å; Y69-W257 HydrophobicContact CE1-CZ2 4.2Å; Y69-T259 WeakPolarHBondContact CE2-OG1 3.14Å
70G90Very high93Very high9 Ų922.5 Ų22.59%0.09312%0.117CC..SBendtrans104.2171.817200000115A72 T73 E74 W257G70-A72 VanDerWaalsContact C-N 3.28Å; G70-A72 PolarHBondContact O-N 3.45Å; G70-T73 PolarHBondContact O-N 3.09Å; G70-E74 PolarHBondContact O-N 3.15Å; G70-W257 PolarHBondContact N-O 3.03Å
71T86.6Confident93Very high33 Ų3325.7 Ų25.720%0.20215%0.151CC..Hα-helixtrans-60.4-36.7-171-44.70000112.7T73 E74 T75 A152 F155 L255T71-T73 VanDerWaalsContact C-N 3.25Å; T71-T73 PolarHBondContact O-N 2.75Å; T71-E74 PolarHBondContact O-N 3Å; T71-E74 VanDerWaalsContact O-N 3.15Å; T71-T75 PolarHBondContact O-N 3.06Å; T71-T75 PolarHBondContact O-OG1 3.32Å; T71-A152 HydrophobicContact CG2-CB 3.72Å; T71-F155 HydrophobicContact CG2-CE2 3.92Å; T71-L255 HydrophobicContact CG2-CD2 4.26Å; T71-L255 WeakPolarHBondContact OG1-CD1 3.5Å
72A87.3Confident93Very high27 Ų2728.4 Ų28.422%0.22317%0.167CC..Hα-helixtrans-64.7-31.3-176.700000112.4N31 G70 K76N31-A72 VanDerWaalsContact ND2-C 3.28Å; N31-A72 VanDerWaalsContact ND2-CB 3.26Å; N31-A72 WeakPolarHBondContact ND2-CB 3.45Å; N31-A72 PolarHBondContact ND2-O 2.82Å; N31-A72 VanDerWaalsContact ND2-O 3.13Å; G70-A72 VanDerWaalsContact C-N 3.28Å; G70-A72 PolarHBondContact O-N 3.45Å; A72-K76 WeakPolarHBondContact O-CB 3.31Å; A72-K76 PolarHBondContact O-N 2.91Å; A72-K76 VanDerWaalsContact O-N 3.11Å
73T92.7Very high92.9Very high2 Ų231.7 Ų31.71%0.01219%0.187CC..Hα-helixtrans-69.9-46.8172.3-57.70000110.7E68 G70 T71 T75 K76 A77 P84 I87 C88E68-T73 WeakPolarHBondContact O-CB 3.31Å; E68-T73 WeakPolarHBondContact O-CG2 3.37Å; E68-T73 PolarHBondContact O-OG1 2.87Å; G70-T73 PolarHBondContact O-N 3.09Å; T71-T73 VanDerWaalsContact C-N 3.25Å; T71-T73 PolarHBondContact O-N 2.75Å; T73-T75 PolarHBondContact O-N 2.8Å; T73-K76 PolarHBondContact O-N 2.81Å; T73-A77 VanDerWaalsContact O-CB 3.27Å; T73-A77 WeakPolarHBondContact O-CB 3.27Å; T73-A77 PolarHBondContact O-N 2.92Å; T73-P84 HydrophobicContact CG2-CB 4.2Å; T73-I87 HydrophobicContact CG2-CG2 3.87Å; T73-C88 VanDerWaalsContact CG2-SG 3.51Å
74E89.7Confident92.8Very high9 Ų933.2 Ų33.24%0.04220%0.197CC..Hα-helixtrans-60.3-44.3176.5-70.2-166.7-179.500112G70 T71 K76 A77 I78 P84 R149 K256 W257G70-E74 PolarHBondContact O-N 3.15Å; T71-E74 PolarHBondContact O-N 3Å; T71-E74 VanDerWaalsContact O-N 3.15Å; E74-K76 PolarHBondContact O-N 2.95Å; E74-A77 PolarHBondContact O-N 3.43Å; E74-I78 VanDerWaalsContact O-CG1 3.27Å; E74-I78 WeakPolarHBondContact O-CG1 3.37Å; E74-I78 PolarHBondContact O-N 3.46Å; E74-P84 HydrophobicContact CG-CG 4.28Å; E74-R149 IonicContact OE2-CZ 2.96Å; E74-R149 IonicContact OE2-NH1 3.87Å; E74-R149 IonicContact OE2-NH2 2.79Å; E74-R149 PolarHBondContact OE2-NH2 3.29Å; E74-K256 PolarHBondContact OE1-N 2.86Å; E74-W257 HydrophobicContact CG-CB 3.63Å; E74-W257 WeakPolarHBondContact OE1-CB 3.22Å; E74-W257 PolarHBondContact OE1-N 3.08Å
75T86.7Confident92.7Very high20 Ų2037 Ų3712%0.12322%0.217CC..Hα-helixtrans-58.3-49.4176.8-56.10000110.7T71 T73 A77 I78 E79 F155T71-T75 PolarHBondContact O-N 3.06Å; T71-T75 PolarHBondContact O-OG1 3.32Å; T73-T75 PolarHBondContact O-N 2.8Å; T75-A77 VanDerWaalsContact C-N 3.32Å; T75-A77 PolarHBondContact O-N 3.29Å; T75-I78 PolarHBondContact O-N 2.86Å; T75-E79 WeakPolarHBondContact O-CG 2.98Å; T75-E79 PolarHBondContact O-N 3.06Å; T75-F155 HydrophobicContact CG2-CE1 3.82Å; T75-F155 HydrophobicContact CG2-CZ 4.11Å; T75-F155 WeakPolarHBondContact OG1-CZ 3.13Å
76K89.3Confident92.6Very high58 Ų5842 Ų4225%0.25224%0.24SC..Hα-helixtrans-65.9-36.9-178.9-164.976.6-153.4151.60112N31 A72 T73 E74 E79 E80 I87N31-K76 HydrophobicContact CB-CB 4.36Å; N31-K76 HydrophobicContact CB-CG 4.48Å; A72-K76 WeakPolarHBondContact O-CB 3.31Å; A72-K76 PolarHBondContact O-N 2.91Å; A72-K76 VanDerWaalsContact O-N 3.11Å; T73-K76 PolarHBondContact O-N 2.81Å; E74-K76 PolarHBondContact O-N 2.95Å; K76-E79 IonicContact NZ-OE2 2.7Å; K76-E79 PolarHBondContact NZ-OE2 3.4Å; K76-E79 PolarHBondContact O-N 3.34Å; K76-E80 WeakPolarHBondContact CE-OE1 3.31Å; K76-E80 PolarHBondContact O-N 3.22Å; K76-I87 HydrophobicContact CB-CD1 3.75Å; K76-I87 HydrophobicContact CG-CD1 3.28Å
77A92.2Very high92.5Very high1 Ų142 Ų421%0.00824%0.24CC..Hα-helixtrans-62.2-45.1174.700000111.6T73 E74 T75 E80 G81 V82 P84 I87T73-A77 VanDerWaalsContact O-CB 3.27Å; T73-A77 WeakPolarHBondContact O-CB 3.27Å; T73-A77 PolarHBondContact O-N 2.92Å; E74-A77 PolarHBondContact O-N 3.43Å; T75-A77 VanDerWaalsContact C-N 3.32Å; T75-A77 PolarHBondContact O-N 3.29Å; A77-E80 CarbonylContact O-C 3.55Å; A77-E80 PolarHBondContact O-N 3.05Å; A77-G81 PolarHBondContact O-N 2.84Å; A77-V82 CarbonylContact C-O 3.41Å; A77-V82 HydrophobicContact CB-CG2 4.45Å; A77-V82 WeakPolarHBondContact CB-O 3.42Å; A77-V82 PolarHBondContact O-N 3.39Å; A77-V82 VanDerWaalsContact O-O 3.1Å; A77-P84 HydrophobicContact CB-CG 4.22Å; A77-I87 HydrophobicContact CB-CG2 3.89Å
78I89.1Confident92.5Very high86 Ų8641.7 Ų41.744%0.44124%0.238SC..Hα-helixtrans-62.9-44.6175.5-67.5164.3000111E74 T75 E80 G81E74-I78 VanDerWaalsContact O-CG1 3.27Å; E74-I78 WeakPolarHBondContact O-CG1 3.37Å; E74-I78 PolarHBondContact O-N 3.46Å; T75-I78 PolarHBondContact O-N 2.86Å; I78-E80 VanDerWaalsContact C-N 3.3Å; I78-E80 PolarHBondContact O-N 3.49Å; I78-G81 PolarHBondContact O-N 3.29Å
79E88.1Confident92.5Very high128 Ų12845 Ų4560%0.59826%0.256SS*.Hα-helixtrans-59.6-37.8177-74.9173.7-170.700112.8T75 K76T75-E79 WeakPolarHBondContact O-CG 2.98Å; T75-E79 PolarHBondContact O-N 3.06Å; K76-E79 IonicContact NZ-OE2 2.7Å; K76-E79 PolarHBondContact NZ-OE2 3.4Å; K76-E79 PolarHBondContact O-N 3.34Å
80E90.7Very high92.6Very high67 Ų6749.3 Ų49.331%0.31328%0.275SS..Hα-helixtrans-89.9-2.2179.4-69.2-169.5-157.500113.6K76 A77 I78 V82 K90 Y91K76-E80 WeakPolarHBondContact CE-OE1 3.31Å; K76-E80 PolarHBondContact O-N 3.22Å; A77-E80 CarbonylContact O-C 3.55Å; A77-E80 PolarHBondContact O-N 3.05Å; I78-E80 VanDerWaalsContact C-N 3.3Å; I78-E80 PolarHBondContact O-N 3.49Å; E80-V82 VanDerWaalsContact C-N 3.35Å; E80-V82 HydrophobicContact CB-CG2 4.06Å; E80-K90 IonicContact OE1-NZ 2.68Å; E80-K90 IonicContact OE2-NZ 3.56Å; E80-K90 PolarHBondContact OE2-NZ 2.8Å; E80-Y91 PolarHBondContact OE1-OH 3.33Å
81G94Very high92.9Very high71 Ų7150.3 Ų50.373%0.73228%0.276SS*.THydrogen-bonded Turntrans67.130.9-179.900000114.3A77 I78A77-G81 PolarHBondContact O-N 2.84Å; I78-G81 PolarHBondContact O-N 3.29Å
82V95.9Very high93.4Very high56 Ų5650.8 Ų50.834%0.33928%0.275SS..SBendtrans-125.7170-178.3-62.50000111.3A77 E80 E86 I87A77-V82 CarbonylContact C-O 3.41Å; A77-V82 HydrophobicContact CB-CG2 4.45Å; A77-V82 WeakPolarHBondContact CB-O 3.42Å; A77-V82 PolarHBondContact O-N 3.39Å; A77-V82 VanDerWaalsContact O-O 3.1Å; E80-V82 VanDerWaalsContact C-N 3.35Å; E80-V82 HydrophobicContact CB-CG2 4.06Å; V82-E86 HydrophobicContact CB-CB 4.18Å; V82-I87 HydrophobicContact CG2-CB 3.9Å
83T95.9Very high93.9Very high69 Ų6955.9 Ų55.942%0.42329%0.292SS..  trans-76.5155.817264.90000111.8L85 E86 I87T83-L85 VanDerWaalsContact C-N 3.26Å; T83-L85 PolarHBondContact O-N 2.99Å; T83-E86 WeakPolarHBondContact CB-OE2 3.47Å; T83-E86 WeakPolarHBondContact CG2-OE2 3.33Å; T83-E86 PolarHBondContact N-OE2 2.99Å; T83-E86 PolarHBondContact O-N 3.24Å; T83-E86 VanDerWaalsContact O-N 3.16Å; T83-E86 WeakPolarHBondContact OG1-CB 3.28Å; T83-E86 VanDerWaalsContact OG1-CD 3.23Å; T83-E86 WeakPolarHBondContact OG1-CG 3.32Å; T83-E86 PolarHBondContact OG1-N 2.89Å; T83-E86 PolarHBondContact OG1-OE2 3.29Å; T83-I87 PolarHBondContact O-N 2.91Å; T83-I87 VanDerWaalsContact O-N 3.13Å
84P95.3Very high94Very high32 Ų3257.7 Ų57.721%0.20830%0.302CS..Hα-helixtrans-53.3-40.2172.9-29.737.1000113.6T73 E74 A77 I87 C88 W257T73-P84 HydrophobicContact CG2-CB 4.2Å; E74-P84 HydrophobicContact CG-CG 4.28Å; A77-P84 HydrophobicContact CB-CG 4.22Å; P84-I87 WeakPolarHBondContact O-CG2 3.44Å; P84-C88 WeakPolarHBondContact O-CB 3.41Å; P84-C88 PolarHBondContact O-N 2.89Å; P84-C88 PolarHBondContact O-SG 2.83Å; P84-W257 HydrophobicContact CB-CB 4.13Å; P84-W257 HydrophobicContact CB-CD2 3.36Å; P84-W257 HydrophobicContact CB-CE3 3.77Å; P84-W257 HydrophobicContact CB-CG 3.51Å; P84-W257 HydrophobicContact CB-CZ2 4.24Å; P84-W257 HydrophobicContact CB-CZ3 4.36Å; P84-W257 HydrophobicContact CG-CB 4.2Å; P84-W257 HydrophobicContact CG-CD2 4.23Å; P84-W257 HydrophobicContact CG-CE3 4.45Å; P84-W257 HydrophobicContact CG-CG 4.11Å
85L96.5Very high94.4Very high80 Ų8057.4 Ų57.442%0.41930%0.3SS..Hα-helixtrans-66.2-41178.2179.960.1000112.4T83 C88 N89 W257T83-L85 VanDerWaalsContact C-N 3.26Å; T83-L85 PolarHBondContact O-N 2.99Å; L85-C88 PolarHBondContact O-N 3.25Å; L85-N89 WeakPolarHBondContact O-CB 3.42Å; L85-N89 PolarHBondContact O-N 3.44Å; L85-N89 PolarHBondContact O-ND2 2.7Å; L85-N89 PolarHBondContact O-OD1 3.13Å; L85-W257 HydrophobicContact CB-CH2 3.81Å; L85-W257 HydrophobicContact CB-CZ3 4.27Å; L85-W257 HydrophobicContact CD1-CH2 4.1Å
86E97.1Very high94.9Very high104 Ų10459.6 Ų59.649%0.48631%0.308SS..Hα-helixtrans-64.1-43.5178.7-75.4165.4140.800111.9V82 T83 N89 K90V82-E86 HydrophobicContact CB-CB 4.18Å; T83-E86 WeakPolarHBondContact CB-OE2 3.47Å; T83-E86 WeakPolarHBondContact CG2-OE2 3.33Å; T83-E86 PolarHBondContact N-OE2 2.99Å; T83-E86 PolarHBondContact O-N 3.24Å; T83-E86 VanDerWaalsContact O-N 3.16Å; T83-E86 WeakPolarHBondContact OG1-CB 3.28Å; T83-E86 VanDerWaalsContact OG1-CD 3.23Å; T83-E86 WeakPolarHBondContact OG1-CG 3.32Å; T83-E86 PolarHBondContact OG1-N 2.89Å; T83-E86 PolarHBondContact OG1-OE2 3.29Å; E86-N89 PolarHBondContact O-N 2.69Å; E86-K90 WeakPolarHBondContact O-CB 3.43Å; E86-K90 PolarHBondContact O-N 2.58Å
87I95.8Very high95.2Very high1 Ų160.2 Ų60.21%0.00531%0.314CS..Hα-helixtrans-66.6-40.7176.8-165.5163.7000111.5T73 K76 A77 V82 T83 P84 N89 K90 Y91T73-I87 HydrophobicContact CG2-CG2 3.87Å; K76-I87 HydrophobicContact CB-CD1 3.75Å; K76-I87 HydrophobicContact CG-CD1 3.28Å; A77-I87 HydrophobicContact CB-CG2 3.89Å; V82-I87 HydrophobicContact CG2-CB 3.9Å; T83-I87 PolarHBondContact O-N 2.91Å; T83-I87 VanDerWaalsContact O-N 3.13Å; P84-I87 WeakPolarHBondContact O-CG2 3.44Å; I87-N89 VanDerWaalsContact C-N 3.34Å; I87-N89 PolarHBondContact O-N 3.28Å; I87-K90 PolarHBondContact O-N 3.01Å; I87-Y91 HydrophobicContact CD1-CD2 4.41Å; I87-Y91 HydrophobicContact CD1-CE2 4.05Å; I87-Y91 HydrophobicContact CG1-CD2 3.62Å; I87-Y91 HydrophobicContact CG1-CE2 3.71Å; I87-Y91 WeakPolarHBondContact O-CD2 3.48Å; I87-Y91 PolarHBondContact O-N 2.83Å
88C97.4Very high95.4Very high0 Ų060.2 Ų60.20%031%0.314CS..Hα-helixtrans-59.6-44173.9-70.70000111.7V30 E68 T73 P84 L85 K90 Y91 Y92V30-C88 HydrophobicContact CG1-CB 4.34Å; E68-C88 HydrophobicContact CB-CB 4.45Å; E68-C88 VanDerWaalsContact OE2-CB 3.28Å; E68-C88 WeakPolarHBondContact OE2-CB 3.44Å; T73-C88 VanDerWaalsContact CG2-SG 3.51Å; P84-C88 WeakPolarHBondContact O-CB 3.41Å; P84-C88 PolarHBondContact O-N 2.89Å; P84-C88 PolarHBondContact O-SG 2.83Å; L85-C88 PolarHBondContact O-N 3.25Å; C88-K90 PolarHBondContact O-N 3.42Å; C88-Y91 PolarHBondContact O-N 3.07Å; C88-Y92 WeakPolarHBondContact O-CB 3.39Å; C88-Y92 PolarHBondContact O-N 3.36Å
89N97.5Very high95.8Very high69 Ų6956.3 Ų56.337%0.36929%0.294SS..Hα-helixtrans-61.1-45.6177.1-70.3-19.5000112.1L85 E86 I87 K93 R111L85-N89 WeakPolarHBondContact O-CB 3.42Å; L85-N89 PolarHBondContact O-N 3.44Å; L85-N89 PolarHBondContact O-ND2 2.7Å; L85-N89 PolarHBondContact O-OD1 3.13Å; E86-N89 PolarHBondContact O-N 2.69Å; I87-N89 VanDerWaalsContact C-N 3.34Å; I87-N89 PolarHBondContact O-N 3.28Å; N89-K93 PolarHBondContact O-N 3.3Å; N89-R111 VanDerWaalsContact OD1-CZ 3.26Å; N89-R111 PolarHBondContact OD1-NH1 3.21Å; N89-R111 PolarHBondContact OD1-NH2 3.26Å
90K96.2Very high96.2Very high114 Ų11454 Ų5450%0.49628%0.283SS..Hα-helixtrans-58.4-51.7177.9171-177.5170.1-174.30111.1E80 E86 I87 C88 L94E80-K90 IonicContact OE1-NZ 2.68Å; E80-K90 IonicContact OE2-NZ 3.56Å; E80-K90 PolarHBondContact OE2-NZ 2.8Å; E86-K90 WeakPolarHBondContact O-CB 3.43Å; E86-K90 PolarHBondContact O-N 2.58Å; I87-K90 PolarHBondContact O-N 3.01Å; C88-K90 PolarHBondContact O-N 3.42Å; K90-L94 PolarHBondContact O-N 2.68Å
91Y96.2Very high96.5Very high29 Ų2954.4 Ų54.411%0.11428%0.282CS..Hα-helixtrans-80.9-28.9-174.9-80.9-94000113.7V30 V33 E80 I87 C88 K93 L94 H95V30-Y91 WeakPolarHBondContact O-CB 3.38Å; V30-Y91 WeakPolarHBondContact O-CD1 3.47Å; V30-Y91 VanDerWaalsContact O-CG 3.22Å; V33-Y91 HydrophobicContact CG2-CE1 4.07Å; E80-Y91 PolarHBondContact OE1-OH 3.33Å; I87-Y91 HydrophobicContact CD1-CD2 4.41Å; I87-Y91 HydrophobicContact CD1-CE2 4.05Å; I87-Y91 HydrophobicContact CG1-CD2 3.62Å; I87-Y91 HydrophobicContact CG1-CE2 3.71Å; I87-Y91 WeakPolarHBondContact O-CD2 3.48Å; I87-Y91 PolarHBondContact O-N 2.83Å; C88-Y91 PolarHBondContact O-N 3.07Å; Y91-K93 VanDerWaalsContact C-N 3.26Å; Y91-K93 PolarHBondContact O-N 2.79Å; Y91-L94 HydrophobicContact CD1-CD1 4.42Å; Y91-L94 WeakPolarHBondContact O-CB 3.15Å; Y91-L94 PolarHBondContact O-N 3.46Å; Y91-L94 VanDerWaalsContact O-N 3.08Å; Y91-H95 PolarHBondContact O-CD2 3.28Å; Y91-H95 VanDerWaalsContact O-CD2 3.25Å; Y91-H95 PolarHBondContact O-N 2.98Å
92Y97.7Very high96.6Very high44 Ų4451 Ų5117%0.17325%0.247CC..Hα-helixtrans-55-46.2170.5169.2-100.9000111T66 C88 L94 H95 K96 F109 G110 R111T66-Y92 HydrophobicContact CG2-CD2 3.94Å; T66-Y92 VanDerWaalsContact OG1-CD2 3.31Å; T66-Y92 WeakPolarHBondContact OG1-CD2 3.49Å; C88-Y92 WeakPolarHBondContact O-CB 3.39Å; C88-Y92 PolarHBondContact O-N 3.36Å; Y92-L94 PolarHBondContact O-N 2.92Å; Y92-H95 PolarHBondContact O-N 3.23Å; Y92-K96 HydrophobicContact CE1-CD 4.43Å; Y92-K96 WeakPolarHBondContact O-CB 3.38Å; Y92-K96 PolarHBondContact O-N 2.98Å; Y92-F109 HydrophobicContact CD2-CD1 4.33Å; Y92-F109 AromaticContact CD2-CE1 3.91Å; Y92-F109 HydrophobicContact CD2-CE1 3.91Å; Y92-F109 AromaticContact CE2-CD1 3.54Å; Y92-F109 HydrophobicContact CE2-CD1 3.54Å; Y92-F109 AromaticContact CE2-CE1 3.58Å; Y92-F109 HydrophobicContact CE2-CE1 3.58Å; Y92-F109 PolarHBondContact OH-O 2.65Å; Y92-G110 WeakPolarHBondContact CE2-O 3.39Å; Y92-R111 HydrophobicContact CD2-CG 3.48Å; Y92-R111 VanDerWaalsContact CD2-CG 3.48Å; Y92-R111 HydrophobicContact CE2-CG 3.41Å; Y92-R111 VanDerWaalsContact CE2-CG 3.41Å; Y92-R111 HydrophobicContact CG-CG 4.09Å
93K97.2Very high96.7Very high134 Ų13449.3 Ų49.358%0.58324%0.235SC*.Hα-helixtrans-58.7-47.5174.2-176.5-178175.8-174.60111.1N89 Y91 H95 K96 D97N89-K93 PolarHBondContact O-N 3.3Å; Y91-K93 VanDerWaalsContact C-N 3.26Å; Y91-K93 PolarHBondContact O-N 2.79Å; K93-H95 PolarHBondContact O-N 3.24Å; K93-K96 PolarHBondContact O-N 3.21Å; K93-D97 WeakPolarHBondContact O-CB 2.87Å; K93-D97 PolarHBondContact O-N 3.13Å
94L96.3Very high96.7Very high40 Ų4046.4 Ų46.421%0.20922%0.217CC..Hα-helixtrans-58-47178.4-176.4154.9000112.3V33 K90 Y91 Y92 D97 V98 T362V33-L94 HydrophobicContact CB-CD2 4.38Å; V33-L94 HydrophobicContact CG1-CD2 4.1Å; V33-L94 HydrophobicContact CG2-CD1 4.02Å; V33-L94 HydrophobicContact CG2-CD2 4.17Å; K90-L94 PolarHBondContact O-N 2.68Å; Y91-L94 HydrophobicContact CD1-CD1 4.42Å; Y91-L94 WeakPolarHBondContact O-CB 3.15Å; Y91-L94 PolarHBondContact O-N 3.46Å; Y91-L94 VanDerWaalsContact O-N 3.08Å; Y92-L94 PolarHBondContact O-N 2.92Å; L94-D97 PolarHBondContact O-N 3.5Å; L94-V98 HydrophobicContact CD2-CG2 4.28Å; L94-V98 WeakPolarHBondContact O-CG2 3.38Å; L94-V98 PolarHBondContact O-N 2.97Å; L94-T362 HydrophobicContact CD1-CG2 4.24Å; L94-T362 HydrophobicContact CD2-CG2 4.29Å; L94-T362 HydrophobicContact CG-CG2 4.2Å
95H97.4Very high96.7Very high2 Ų246.9 Ų46.91%0.00922%0.217CC..Hα-helixtrans-59-48.2175.9-86.4-90000111.3N32 T66 Y91 Y92 K93 D97 V98 Y99 F109N32-H95 PolarHBondContact O-CE1 2.86Å; N32-H95 PolarHBondContact O-NE2 2.96Å; T66-H95 HydrophobicContact CG2-CB 4.22Å; Y91-H95 PolarHBondContact O-CD2 3.28Å; Y91-H95 VanDerWaalsContact O-CD2 3.25Å; Y91-H95 PolarHBondContact O-N 2.98Å; Y92-H95 PolarHBondContact O-N 3.23Å; K93-H95 PolarHBondContact O-N 3.24Å; H95-D97 PolarHBondContact O-N 2.8Å; H95-V98 PolarHBondContact O-N 2.89Å; H95-Y99 HydrophobicContact CB-CD2 4.29Å; H95-Y99 HydrophobicContact CB-CE2 3.77Å; H95-Y99 AromaticContact ND1-CE2 3.61Å; H95-Y99 AromaticContact ND1-CZ 3.46Å; H95-Y99 PolarHBondContact ND1-OH 3.27Å; H95-Y99 WeakPolarHBondContact O-CD2 3.42Å; H95-Y99 PolarHBondContact O-N 3.18Å; H95-F109 HydrophobicContact CB-CE1 4.34Å; H95-F109 HydrophobicContact CB-CZ 4.25Å
96K96.7Very high96.7Very high66 Ų6643.5 Ų43.529%0.28720%0.199SC..Hα-helixtrans-58.5-48.8178.8-177175.3175179.40111.6Y92 K93 V98 Y99 E100 F109Y92-K96 HydrophobicContact CE1-CD 4.43Å; Y92-K96 WeakPolarHBondContact O-CB 3.38Å; Y92-K96 PolarHBondContact O-N 2.98Å; K93-K96 PolarHBondContact O-N 3.21Å; K96-V98 VanDerWaalsContact C-N 3.32Å; K96-V98 PolarHBondContact O-N 3.31Å; K96-Y99 PolarHBondContact O-N 3.26Å; K96-E100 WeakPolarHBondContact CE-OE1 3.28Å; K96-E100 HydrophobicContact CG-CG 4.37Å; K96-E100 IonicContact NZ-OE1 3.45Å; K96-E100 WeakPolarHBondContact O-CB 3.2Å; K96-E100 WeakPolarHBondContact O-CG 3.35Å; K96-E100 PolarHBondContact O-N 3.22Å; K96-F109 HydrophobicContact CB-CD1 4.3Å; K96-F109 HydrophobicContact CB-CE1 4.4Å
97D96.5Very high96.7Very high71 Ų7140 Ų4038%0.3818%0.183SC..Hα-helixtrans-61.7-39.9179.6-65.8-11.9000111.3K93 L94 H95 W101 Q365K93-D97 WeakPolarHBondContact O-CB 2.87Å; K93-D97 PolarHBondContact O-N 3.13Å; L94-D97 PolarHBondContact O-N 3.5Å; H95-D97 PolarHBondContact O-N 2.8Å; D97-W101 PolarHBondContact O-N 2.8Å; D97-W101 VanDerWaalsContact O-N 3.15Å; D97-Q365 PolarHBondContact O-NE2 3.29Å; D97-Q365 VanDerWaalsContact O-NE2 3.12Å
98V96.7Very high96.7Very high1 Ų143.5 Ų43.51%0.00620%0.197CC..Hα-helixtrans-62.3-49.8174.1169.40000111.7P34 I39 L94 H95 K96 W101 F102 T362P34-V98 HydrophobicContact CG-CB 4.31Å; P34-V98 HydrophobicContact CG-CG1 3.99Å; P34-V98 HydrophobicContact CG-CG2 4.45Å; I39-V98 HydrophobicContact CD1-CG1 4.16Å; L94-V98 HydrophobicContact CD2-CG2 4.28Å; L94-V98 WeakPolarHBondContact O-CG2 3.38Å; L94-V98 PolarHBondContact O-N 2.97Å; H95-V98 PolarHBondContact O-N 2.89Å; K96-V98 VanDerWaalsContact C-N 3.32Å; K96-V98 PolarHBondContact O-N 3.31Å; V98-W101 PolarHBondContact O-N 3.48Å; V98-F102 HydrophobicContact CG1-CD2 4.12Å; V98-F102 HydrophobicContact CG1-CE2 4.5Å; V98-F102 PolarHBondContact O-N 2.79Å; V98-T362 HydrophobicContact CG2-CG2 4.08Å
99Y97.8Very high96.8Very high5 Ų543.8 Ų43.82%0.0220%0.198CC..Hα-helixtrans-70.5-34.4-176.1-58.5-35.4000112.7P28 P34 I39 V43 H95 K96 F102 N103 I104 F106 F109P28-Y99 HydrophobicContact CG-CE2 4.13Å; P28-Y99 WeakPolarHBondContact CG-OH 3.26Å; P34-Y99 HydrophobicContact CB-CE1 4.21Å; P34-Y99 HydrophobicContact CG-CE1 4.16Å; I39-Y99 HydrophobicContact CG1-CE1 4.3Å; V43-Y99 HydrophobicContact CG1-CE1 4.47Å; V43-Y99 HydrophobicContact CG2-CD1 3.93Å; V43-Y99 HydrophobicContact CG2-CE1 3.8Å; H95-Y99 HydrophobicContact CB-CD2 4.29Å; H95-Y99 HydrophobicContact CB-CE2 3.77Å; H95-Y99 AromaticContact ND1-CE2 3.61Å; H95-Y99 AromaticContact ND1-CZ 3.46Å; H95-Y99 PolarHBondContact ND1-OH 3.27Å; H95-Y99 WeakPolarHBondContact O-CD2 3.42Å; H95-Y99 PolarHBondContact O-N 3.18Å; K96-Y99 PolarHBondContact O-N 3.26Å; Y99-F102 PolarHBondContact O-N 3.17Å; Y99-N103 PolarHBondContact O-N 2.81Å; Y99-I104 WeakPolarHBondContact O-CB 3.42Å; Y99-I104 WeakPolarHBondContact O-CG1 3.28Å; Y99-I104 PolarHBondContact O-N 3.29Å; Y99-F106 AromaticContact CD2-CE2 3.99Å; Y99-F106 HydrophobicContact CD2-CE2 3.99Å; Y99-F106 HydrophobicContact CD2-CZ 4.33Å; Y99-F106 HydrophobicContact CG-CE2 4.13Å; Y99-F109 HydrophobicContact CD2-CD2 4.43Å; Y99-F109 HydrophobicContact CD2-CE1 4.4Å; Y99-F109 AromaticContact CD2-CE2 3.74Å; Y99-F109 HydrophobicContact CD2-CE2 3.74Å; Y99-F109 AromaticContact CD2-CZ 3.73Å; Y99-F109 HydrophobicContact CD2-CZ 3.73Å; Y99-F109 AromaticContact CE2-CE2 3.77Å; Y99-F109 HydrophobicContact CE2-CE2 3.77Å; Y99-F109 AromaticContact CE2-CZ 3.61Å; Y99-F109 HydrophobicContact CE2-CZ 3.61Å
100E96.4Very high96.8Very high79 Ų7940.5 Ų40.537%0.36918%0.181SC..Hα-helixtrans-62.3-43.3171.8-76.3-178.1178.200111.4W6 K96 N103W6-E100 HydrophobicContact CZ2-CG 4.22Å; W6-E100 WeakPolarHBondContact CZ2-OE1 3.32Å; W6-E100 PolarHBondContact NE1-OE1 3.41Å; K96-E100 WeakPolarHBondContact CE-OE1 3.28Å; K96-E100 HydrophobicContact CG-CG 4.37Å; K96-E100 IonicContact NZ-OE1 3.45Å; K96-E100 WeakPolarHBondContact O-CB 3.2Å; K96-E100 WeakPolarHBondContact O-CG 3.35Å; K96-E100 PolarHBondContact O-N 3.22Å; E100-N103 WeakPolarHBondContact O-CA 3.34Å; E100-N103 PolarHBondContact O-N 2.91Å
101W96.2Very high96.9Very high76 Ų7637.3 Ų37.329%0.28817%0.166SC..Hα-helixtrans-66.7-38.9177-175.592.2000113D97 V98 N103 A364 Q365 I369 A371 W374D97-W101 PolarHBondContact O-N 2.8Å; D97-W101 VanDerWaalsContact O-N 3.15Å; V98-W101 PolarHBondContact O-N 3.48Å; W101-N103 PolarHBondContact O-N 2.94Å; W101-N103 VanDerWaalsContact O-N 3.08Å; W101-A364 HydrophobicContact CH2-CB 4.28Å; W101-A364 WeakPolarHBondContact CH2-O 3.48Å; W101-A364 HydrophobicContact CZ3-CB 3.99Å; W101-Q365 HydrophobicContact CB-CG 4.05Å; W101-Q365 HydrophobicContact CD2-CB 4.28Å; W101-Q365 HydrophobicContact CD2-CG 3.48Å; W101-Q365 VanDerWaalsContact CD2-CG 3.48Å; W101-Q365 HydrophobicContact CE3-CG 3.77Å; W101-Q365 HydrophobicContact CG-CG 3.59Å; W101-Q365 HydrophobicContact CZ2-CB 4.45Å; W101-Q365 HydrophobicContact CZ2-CG 4.44Å; W101-Q365 HydrophobicContact CZ3-CG 4.34Å; W101-I369 WeakPolarHBondContact CH2-O 3.47Å; W101-I369 WeakPolarHBondContact CZ2-O 3.36Å; W101-A371 HydrophobicContact CD2-CB 4.18Å; W101-A371 HydrophobicContact CE3-CB 3.99Å; W101-A371 HydrophobicContact CH2-CB 4.26Å; W101-A371 HydrophobicContact CZ2-CB 4.42Å; W101-A371 HydrophobicContact CZ3-CB 4.04Å; W101-A371 WeakPolarHBondContact O-CB 3.38Å; W101-W374 AromaticContact CH2-CD1 3.52Å; W101-W374 AromaticContact CH2-NE1 3.73Å; W101-W374 AromaticContact CZ3-CD1 3.92Å
102F96.7Very high97Very high0 Ų035.9 Ų35.90%016%0.16CC..THydrogen-bonded Turntrans-680.3170.9-93.7-87.9000113.5L36 I39 V98 Y99 I104 A364 W374 R375 L378L36-F102 HydrophobicContact CD2-CZ 3.81Å; I39-F102 HydrophobicContact CD1-CD2 4.05Å; I39-F102 HydrophobicContact CD1-CE2 3.71Å; I39-F102 HydrophobicContact CD1-CZ 4.01Å; I39-F102 HydrophobicContact CG2-CD1 4.14Å; I39-F102 HydrophobicContact CG2-CE1 4.27Å; I39-F102 HydrophobicContact CG2-CG 4.44Å; V98-F102 HydrophobicContact CG1-CD2 4.12Å; V98-F102 HydrophobicContact CG1-CE2 4.5Å; V98-F102 PolarHBondContact O-N 2.79Å; Y99-F102 PolarHBondContact O-N 3.17Å; F102-I104 HydrophobicContact CB-CD1 4.31Å; F102-I104 HydrophobicContact CB-CG1 4.05Å; F102-I104 PolarHBondContact O-N 3.36Å; F102-A364 HydrophobicContact CE2-CB 4.03Å; F102-A364 HydrophobicContact CZ-CB 4.05Å; F102-W374 HydrophobicContact CE1-CB 3.69Å; F102-W374 HydrophobicContact CE1-CG 4.47Å; F102-W374 HydrophobicContact CZ-CB 4.12Å; F102-W374 HydrophobicContact CZ-CG 4.45Å; F102-R375 HydrophobicContact CD1-CG 4.33Å; F102-R375 WeakPolarHBondContact O-CD 3.49Å; F102-R375 PolarHBondContact O-NH1 3.44Å; F102-L378 HydrophobicContact CE1-CD1 4.16Å
103N96.9Very high97Very high19 Ų1935 Ų3510%0.10216%0.161CC..THydrogen-bonded Turntrans55.848.1-179-156.3-19.7000111.8R51 Y99 E100 W101 R375 P480 E481R51-N103 PolarHBondContact NH2-O 2.68Å; R51-N103 PolarHBondContact NH2-OD1 2.68Å; Y99-N103 PolarHBondContact O-N 2.81Å; E100-N103 WeakPolarHBondContact O-CA 3.34Å; E100-N103 PolarHBondContact O-N 2.91Å; W101-N103 PolarHBondContact O-N 2.94Å; W101-N103 VanDerWaalsContact O-N 3.08Å; N103-R375 PolarHBondContact O-NH1 3.25Å; N103-R375 VanDerWaalsContact O-NH1 3.13Å; N103-P480 HydrophobicContact CB-CG 4.06Å; N103-P480 WeakPolarHBondContact ND2-CG 3.27Å; N103-E481 PolarHBondContact ND2-OE1 2.57Å
104I97.3Very high97Very high9 Ų930.3 Ų30.35%0.04614%0.143CC..  trans-84.3115.9172.3-53.2-59.6000108.7V43 L44 D47 F62 Y99 F102 F106V43-I104 HydrophobicContact CB-CG2 4.35Å; V43-I104 HydrophobicContact CG2-CD1 4.46Å; V43-I104 HydrophobicContact CG2-CG1 4.41Å; L44-I104 HydrophobicContact CB-CD1 4.21Å; L44-I104 HydrophobicContact CD1-CD1 4.06Å; D47-I104 HydrophobicContact CB-CD1 3.96Å; D47-I104 HydrophobicContact CB-CG2 4.14Å; F62-I104 HydrophobicContact CE1-CG2 3.96Å; F62-I104 HydrophobicContact CZ-CG2 4.36Å; Y99-I104 WeakPolarHBondContact O-CB 3.42Å; Y99-I104 WeakPolarHBondContact O-CG1 3.28Å; Y99-I104 PolarHBondContact O-N 3.29Å; F102-I104 HydrophobicContact CB-CD1 4.31Å; F102-I104 HydrophobicContact CB-CG1 4.05Å; F102-I104 PolarHBondContact O-N 3.36Å; I104-F106 HydrophobicContact CB-CD2 4.41Å; I104-F106 HydrophobicContact CB-CE2 3.99Å; I104-F106 HydrophobicContact CB-CZ 4.26Å; I104-F106 HydrophobicContact CG2-CD1 4.02Å; I104-F106 HydrophobicContact CG2-CD2 3.85Å; I104-F106 HydrophobicContact CG2-CE1 3.59Å; I104-F106 HydrophobicContact CG2-CE2 3.43Å; I104-F106 VanDerWaalsContact CG2-CE2 3.43Å; I104-F106 HydrophobicContact CG2-CG 4.15Å; I104-F106 HydrophobicContact CG2-CZ 3.29Å; I104-F106 PolarHBondContact O-N 3.4Å
105E94.7Very high97.1Very high42 Ų4236.9 Ų36.920%0.19617%0.173CC..  trans-95.466.7-172.2-168.4-176.8-162.900111.4D47 R51 R54 F62D47-E105 PolarHBondContact OD1-N 3.31Å; R51-E105 IonicContact CZ-OE2 2.63Å; R51-E105 IonicContact NH1-OE2 3.72Å; R51-E105 PolarHBondContact NH1-OE2 3.01Å; R54-E105 VanDerWaalsContact NH1-CD 3.3Å; R54-E105 PolarHBondContact NH1-O 3.08Å; R54-E105 IonicContact NH1-OE2 3.92Å; R54-E105 PolarHBondContact NH1-OE2 2.94Å; R54-E105 PolarHBondContact NH2-O 3.22Å; F62-E105 WeakPolarHBondContact CD1-O 3.42Å
106F96.7Very high97.2Very high9 Ų940.7 Ų40.74%0.03919%0.189CC..  trans-63139.8168.8-56.8-65.6000110.3W6 V43 F62 C64 Y99 I104 Y108 F109W6-F106 HydrophobicContact CH2-CB 4.24Å; W6-F106 HydrophobicContact CZ3-CB 4.35Å; W6-F106 VanDerWaalsContact CZ3-O 3.25Å; W6-F106 WeakPolarHBondContact CZ3-O 3.4Å; V43-F106 HydrophobicContact CB-CE1 4.47Å; V43-F106 HydrophobicContact CB-CZ 4.03Å; V43-F106 HydrophobicContact CG1-CE1 4.26Å; V43-F106 HydrophobicContact CG1-CZ 3.78Å; F62-F106 AromaticContact CD1-CD1 3.87Å; F62-F106 HydrophobicContact CD1-CD1 3.87Å; F62-F106 HydrophobicContact CD2-CD1 4.33Å; F62-F106 AromaticContact CE1-CD1 3.43Å; F62-F106 HydrophobicContact CE1-CD1 3.43Å; F62-F106 VanDerWaalsContact CE1-CD1 3.43Å; F62-F106 AromaticContact CE1-CE1 3.68Å; F62-F106 HydrophobicContact CE1-CE1 3.68Å; F62-F106 HydrophobicContact CE1-CG 4.32Å; F62-F106 AromaticContact CE2-CD1 3.93Å; F62-F106 HydrophobicContact CE2-CD1 3.93Å; F62-F106 AromaticContact CE2-CE1 3.92Å; F62-F106 HydrophobicContact CE2-CE1 3.92Å; F62-F106 HydrophobicContact CG-CD1 4.3Å; F62-F106 AromaticContact CZ-CD1 3.46Å; F62-F106 HydrophobicContact CZ-CD1 3.46Å; F62-F106 VanDerWaalsContact CZ-CD1 3.46Å; F62-F106 AromaticContact CZ-CE1 3.32Å; F62-F106 HydrophobicContact CZ-CE1 3.32Å; F62-F106 HydrophobicContact CZ-CZ 4.47Å; C64-F106 HydrophobicContact CB-CD1 3.62Å; C64-F106 HydrophobicContact CB-CE1 3.2Å; C64-F106 HydrophobicContact CB-CZ 3.82Å; Y99-F106 AromaticContact CD2-CE2 3.99Å; Y99-F106 HydrophobicContact CD2-CE2 3.99Å; Y99-F106 HydrophobicContact CD2-CZ 4.33Å; Y99-F106 HydrophobicContact CG-CE2 4.13Å; I104-F106 HydrophobicContact CB-CD2 4.41Å; I104-F106 HydrophobicContact CB-CE2 3.99Å; I104-F106 HydrophobicContact CB-CZ 4.26Å; I104-F106 HydrophobicContact CG2-CD1 4.02Å; I104-F106 HydrophobicContact CG2-CD2 3.85Å; I104-F106 HydrophobicContact CG2-CE1 3.59Å; I104-F106 HydrophobicContact CG2-CE2 3.43Å; I104-F106 VanDerWaalsContact CG2-CE2 3.43Å; I104-F106 HydrophobicContact CG2-CG 4.15Å; I104-F106 HydrophobicContact CG2-CZ 3.29Å; I104-F106 PolarHBondContact O-N 3.4Å; F106-Y108 VanDerWaalsContact C-N 3.29Å; F106-F109 HydrophobicContact CB-CB 4.36Å; F106-F109 HydrophobicContact CD2-CB 3.92Å; F106-F109 AromaticContact CD2-CD2 3.72Å; F106-F109 HydrophobicContact CD2-CD2 3.72Å; F106-F109 HydrophobicContact CD2-CG 4.11Å; F106-F109 HydrophobicContact CE1-CD2 4.38Å; F106-F109 HydrophobicContact CE2-CB 4.49Å; F106-F109 AromaticContact CE2-CD2 3.47Å; F106-F109 HydrophobicContact CE2-CD2 3.47Å; F106-F109 VanDerWaalsContact CE2-CD2 3.47Å; F106-F109 HydrophobicContact CE2-CE2 4.01Å; F106-F109 HydrophobicContact CE2-CG 4.19Å; F106-F109 HydrophobicContact CG-CB 4.28Å; F106-F109 HydrophobicContact CG-CD2 4.25Å; F106-F109 AromaticContact CZ-CD2 3.83Å; F106-F109 HydrophobicContact CZ-CD2 3.83Å; F106-F109 HydrophobicContact CZ-CE2 4.11Å
107D96.1Very high97.2Very high30 Ų3037.6 Ų37.616%0.1618%0.176CC..SBendtrans-73.4-31.4166.5-67.1-64.2000110.5I12 R54 L61 F62I12-D107 WeakPolarHBondContact CD1-OD1 3.43Å; R54-D107 IonicContact CZ-OD2 3.31Å; R54-D107 VanDerWaalsContact NH2-CG 3.28Å; R54-D107 IonicContact NH2-OD1 3.49Å; R54-D107 PolarHBondContact NH2-OD1 3.08Å; R54-D107 IonicContact NH2-OD2 2.65Å; R54-D107 PolarHBondContact NH2-OD2 3.36Å; L61-D107 HydrophobicContact CD1-CB 3.74Å; F62-D107 PolarHBondContact N-OD2 2.92Å; F62-D107 PolarHBondContact O-N 3.18Å
108Y97.1Very high97.3Very high74 Ų7435.6 Ų35.629%0.2917%0.166SC..EExtended strand (participates in β ladder)trans-154.7132.4168.9-172.5-112.9000111.6C64 F106 I284 N287 Y288C64-Y108 PolarHBondContact N-O 2.82Å; F106-Y108 VanDerWaalsContact C-N 3.29Å; Y108-I284 HydrophobicContact CD1-CG2 3.53Å; Y108-I284 HydrophobicContact CE1-CG2 3.88Å; Y108-N287 HydrophobicContact CE1-CB 4.07Å; Y108-Y288 HydrophobicContact CD1-CG 4.41Å; Y108-Y288 AromaticContact CD2-CD2 3.82Å; Y108-Y288 HydrophobicContact CD2-CD2 3.82Å; Y108-Y288 HydrophobicContact CD2-CG 4.36Å; Y108-Y288 AromaticContact CG-CD2 3.82Å; Y108-Y288 HydrophobicContact CG-CD2 3.82Å; Y108-Y288 AromaticContact CG-CG 3.94Å; Y108-Y288 HydrophobicContact CG-CG 3.94Å
109F97.8Very high97.4Very high6 Ų638.2 Ų38.23%0.02619%0.188CC..EExtended strand (participates in β ladder)trans-110.896.2174-171.2-102.8000109.9W6 C64 T66 Y92 H95 K96 Y99 F106W6-F109 HydrophobicContact CH2-CB 4.1Å; C64-F109 HydrophobicContact CB-CD2 3.95Å; C64-F109 HydrophobicContact CB-CE2 4.15Å; C64-F109 CarbonylContact O-C 3.5Å; C64-F109 VanDerWaalsContact O-CA 3.31Å; C64-F109 WeakPolarHBondContact O-CA 3.36Å; T66-F109 HydrophobicContact CG2-CE1 4.23Å; T66-F109 HydrophobicContact CG2-CZ 4.07Å; Y92-F109 HydrophobicContact CD2-CD1 4.33Å; Y92-F109 AromaticContact CD2-CE1 3.91Å; Y92-F109 HydrophobicContact CD2-CE1 3.91Å; Y92-F109 AromaticContact CE2-CD1 3.54Å; Y92-F109 HydrophobicContact CE2-CD1 3.54Å; Y92-F109 AromaticContact CE2-CE1 3.58Å; Y92-F109 HydrophobicContact CE2-CE1 3.58Å; Y92-F109 PolarHBondContact OH-O 2.65Å; H95-F109 HydrophobicContact CB-CE1 4.34Å; H95-F109 HydrophobicContact CB-CZ 4.25Å; K96-F109 HydrophobicContact CB-CD1 4.3Å; K96-F109 HydrophobicContact CB-CE1 4.4Å; Y99-F109 HydrophobicContact CD2-CD2 4.43Å; Y99-F109 HydrophobicContact CD2-CE1 4.4Å; Y99-F109 AromaticContact CD2-CE2 3.74Å; Y99-F109 HydrophobicContact CD2-CE2 3.74Å; Y99-F109 AromaticContact CD2-CZ 3.73Å; Y99-F109 HydrophobicContact CD2-CZ 3.73Å; Y99-F109 AromaticContact CE2-CE2 3.77Å; Y99-F109 HydrophobicContact CE2-CE2 3.77Å; Y99-F109 AromaticContact CE2-CZ 3.61Å; Y99-F109 HydrophobicContact CE2-CZ 3.61Å; F106-F109 HydrophobicContact CB-CB 4.36Å; F106-F109 HydrophobicContact CD2-CB 3.92Å; F106-F109 AromaticContact CD2-CD2 3.72Å; F106-F109 HydrophobicContact CD2-CD2 3.72Å; F106-F109 HydrophobicContact CD2-CG 4.11Å; F106-F109 HydrophobicContact CE1-CD2 4.38Å; F106-F109 HydrophobicContact CE2-CB 4.49Å; F106-F109 AromaticContact CE2-CD2 3.47Å; F106-F109 HydrophobicContact CE2-CD2 3.47Å; F106-F109 VanDerWaalsContact CE2-CD2 3.47Å; F106-F109 HydrophobicContact CE2-CE2 4.01Å; F106-F109 HydrophobicContact CE2-CG 4.19Å; F106-F109 HydrophobicContact CG-CB 4.28Å; F106-F109 HydrophobicContact CG-CD2 4.25Å; F106-F109 AromaticContact CZ-CD2 3.83Å; F106-F109 HydrophobicContact CZ-CD2 3.83Å; F106-F109 HydrophobicContact CZ-CE2 4.11Å
110G97.9Very high97.5Very high1 Ų138.6 Ų38.61%0.0119%0.19CC..EExtended strand (participates in β ladder)trans-99.5-158.5-172.600000114.7C64 G65 T66 Y92C64-G110 PolarHBondContact O-N 3.48Å; G65-G110 CarbonylContact C-O 3.52Å; G65-G110 WeakPolarHBondContact CA-O 3.43Å; T66-G110 PolarHBondContact N-O 3.22Å; T66-G110 VanDerWaalsContact N-O 3.11Å; Y92-G110 WeakPolarHBondContact CE2-O 3.39Å
111R98.3Very high97.6Very high46 Ų4634.8 Ų34.817%0.17417%0.173CC..EExtended strand (participates in β ladder)trans-145.1147.2-173.3-57.4-18067.5177.2-3.4109.7E68 N89 Y92 T114E68-R111 WeakPolarHBondContact OE1-CB 3.47Å; E68-R111 WeakPolarHBondContact OE1-CG 3.48Å; E68-R111 IonicContact OE1-CZ 3.12Å; E68-R111 IonicContact OE1-NE 3.99Å; E68-R111 PolarHBondContact OE1-NE 3.24Å; E68-R111 IonicContact OE1-NH2 2.76Å; E68-R111 PolarHBondContact OE1-NH2 3.12Å; E68-R111 IonicContact OE2-CZ 3.58Å; E68-R111 IonicContact OE2-NE 3.08Å; E68-R111 PolarHBondContact OE2-NE 2.81Å; E68-R111 IonicContact OE2-NH2 3.79Å; E68-R111 PolarHBondContact OE2-NH2 3.49Å; N89-R111 VanDerWaalsContact OD1-CZ 3.26Å; N89-R111 PolarHBondContact OD1-NH1 3.21Å; N89-R111 PolarHBondContact OD1-NH2 3.26Å; Y92-R111 HydrophobicContact CD2-CG 3.48Å; Y92-R111 VanDerWaalsContact CD2-CG 3.48Å; Y92-R111 HydrophobicContact CE2-CG 3.41Å; Y92-R111 VanDerWaalsContact CE2-CG 3.41Å; Y92-R111 HydrophobicContact CG-CG 4.09Å; R111-T114 HydrophobicContact CB-CG2 4.44Å
112T98.5Very high97.7Very high0 Ų033.5 Ų33.50%017%0.17CC..SBendtrans-79-21.8173.756.30000113.2L27 T66 E68 T114 Q117L27-T112 HydrophobicContact CD1-CG2 3.71Å; T66-T112 PolarHBondContact O-N 2.9Å; T66-T112 VanDerWaalsContact O-N 3.13Å; T66-T112 PolarHBondContact O-OG1 3.43Å; E68-T112 PolarHBondContact N-OG1 3.17Å; T112-T114 VanDerWaalsContact C-N 3.27Å; T112-T114 PolarHBondContact O-N 3.49Å; T112-Q117 WeakPolarHBondContact O-CB 3.48Å; T112-Q117 WeakPolarHBondContact O-CG 3.45Å
113S97.6Very high97.8Very high26 Ų2636.5 Ų36.518%0.18219%0.186CC..SBendtrans-80.660-178.572.70000113.8E68 Y69E68-S113 PolarHBondContact OE2-OG 2.84Å; Y69-S113 WeakPolarHBondContact OH-CA 3.1Å
114T98.1Very high97.8Very high34 Ų3435.6 Ų35.621%0.20918%0.181CC..SBendtrans-128.6158.2-176.367.30000113R111 T112 K116 Q117 T118 N287R111-T114 HydrophobicContact CB-CG2 4.44Å; T112-T114 VanDerWaalsContact C-N 3.27Å; T112-T114 PolarHBondContact O-N 3.49Å; T114-K116 PolarHBondContact O-N 3.44Å; T114-Q117 VanDerWaalsContact O-CB 3.31Å; T114-Q117 WeakPolarHBondContact O-CB 3.45Å; T114-Q117 PolarHBondContact O-N 3.13Å; T114-Q117 VanDerWaalsContact O-N 3.08Å; T114-Q117 PolarHBondContact OG1-N 3.36Å; T114-T118 PolarHBondContact O-N 3.23Å; T114-N287 PolarHBondContact OG1-ND2 3.35Å
115E98.1Very high97.9Very high178 Ų17835.1 Ų35.183%0.83218%0.179SC*.Hα-helixtrans-58.8-37.8174.5-65.1-179.8178.900112Q117 T118 A119E115-Q117 VanDerWaalsContact C-N 3.32Å; E115-Q117 PolarHBondContact O-N 3.11Å; E115-T118 PolarHBondContact O-N 3.04Å; E115-A119 PolarHBondContact O-N 3.42Å
116K98.2Very high98.1Very high83 Ų8336.6 Ų36.636%0.36119%0.188SC..Hα-helixtrans-63.6-35.2175.6-69.6-65.4-175.7-178.30112.4T114 I120 A286 N287T114-K116 PolarHBondContact O-N 3.44Å; K116-I120 WeakPolarHBondContact O-CB 3.38Å; K116-I120 WeakPolarHBondContact O-CG1 3.49Å; K116-I120 PolarHBondContact O-N 3.43Å; K116-A286 HydrophobicContact CB-CB 4.42Å; K116-A286 HydrophobicContact CD-CB 4.41Å; K116-A286 HydrophobicContact CG-CB 4.45Å; K116-N287 WeakPolarHBondContact CG-OD1 3.3Å
117Q98.6Very high98.2Very high0 Ų038.5 Ų38.50%020%0.196CC..Hα-helixtrans-59-54.2171.6175.578.1-2.600109.7Y69 T112 T114 E115 A119 I120 V121 D276 S283Y69-Q117 HydrophobicContact CE2-CG 4.26Å; T112-Q117 WeakPolarHBondContact O-CB 3.48Å; T112-Q117 WeakPolarHBondContact O-CG 3.45Å; T114-Q117 VanDerWaalsContact O-CB 3.31Å; T114-Q117 WeakPolarHBondContact O-CB 3.45Å; T114-Q117 PolarHBondContact O-N 3.13Å; T114-Q117 VanDerWaalsContact O-N 3.08Å; T114-Q117 PolarHBondContact OG1-N 3.36Å; E115-Q117 VanDerWaalsContact C-N 3.32Å; E115-Q117 PolarHBondContact O-N 3.11Å; Q117-A119 VanDerWaalsContact C-N 3.35Å; Q117-A119 PolarHBondContact O-N 2.74Å; Q117-I120 PolarHBondContact O-N 3.13Å; Q117-V121 HydrophobicContact CG-CG2 4.01Å; Q117-V121 VanDerWaalsContact O-CB 3.31Å; Q117-V121 WeakPolarHBondContact O-CB 3.31Å; Q117-V121 WeakPolarHBondContact O-CG2 3.1Å; Q117-V121 PolarHBondContact O-N 3.34Å; Q117-D276 PolarHBondContact NE2-O 3.06Å; Q117-D276 PolarHBondContact NE2-OD2 3.13Å; Q117-S283 VanDerWaalsContact CA-CB 3.48Å; Q117-S283 VanDerWaalsContact OE1-CB 3.29Å; Q117-S283 PolarHBondContact OE1-OG 3.44Å
118T98.6Very high98.2Very high30 Ų3037.1 Ų37.118%0.18419%0.188CC..Hα-helixtrans-58.2-48.1-177.4-62.80000111.5T114 E115 I120 Q122 T259 P260T114-T118 PolarHBondContact O-N 3.23Å; E115-T118 PolarHBondContact O-N 3.04Å; T118-I120 PolarHBondContact O-N 2.62Å; T118-Q122 HydrophobicContact CG2-CG 4.33Å; T118-Q122 VanDerWaalsContact O-CB 3.31Å; T118-Q122 WeakPolarHBondContact O-CB 3.23Å; T118-Q122 VanDerWaalsContact O-CG 3.22Å; T118-Q122 WeakPolarHBondContact O-CG 3.27Å; T118-Q122 PolarHBondContact O-N 2.87Å; T118-T259 HydrophobicContact CG2-CG2 4.21Å; T118-P260 HydrophobicContact CG2-CG 3.96Å
119A98.6Very high98.2Very high56 Ų5636.6 Ų36.646%0.46319%0.189SC..Hα-helixtrans-60.3-45.4-179.700000113E115 Q117 D123E115-A119 PolarHBondContact O-N 3.42Å; Q117-A119 VanDerWaalsContact C-N 3.35Å; Q117-A119 PolarHBondContact O-N 2.74Å; A119-D123 WeakPolarHBondContact O-CB 3.48Å; A119-D123 PolarHBondContact O-N 2.87Å
120I98.5Very high98.2Very high12 Ų1240.6 Ų40.66%0.06222%0.217CC..Hα-helixtrans-74.4-40.7-176.4-64172.3000111.3K116 Q117 T118 D123 I124 I279 I282 A286 W293K116-I120 WeakPolarHBondContact O-CB 3.38Å; K116-I120 WeakPolarHBondContact O-CG1 3.49Å; K116-I120 PolarHBondContact O-N 3.43Å; Q117-I120 PolarHBondContact O-N 3.13Å; T118-I120 PolarHBondContact O-N 2.62Å; I120-D123 PolarHBondContact O-N 3.34Å; I120-I124 HydrophobicContact CG2-CD1 3.95Å; I120-I124 WeakPolarHBondContact O-CG1 3.33Å; I120-I124 PolarHBondContact O-N 2.96Å; I120-I279 HydrophobicContact CB-CG2 4.46Å; I120-I279 HydrophobicContact CG2-CG2 3.75Å; I120-I282 HydrophobicContact CD1-CG2 4.08Å; I120-I282 HydrophobicContact CG2-CB 4.39Å; I120-I282 HydrophobicContact CG2-CG2 4.03Å; I120-A286 HydrophobicContact CD1-CB 3.73Å; I120-W293 HydrophobicContact CD1-CH2 4.28Å; I120-W293 HydrophobicContact CD1-CZ2 4.13Å; I120-W293 HydrophobicContact CG1-CZ2 4.4Å
121V98.7Very high98.2Very high0 Ų044.3 Ų44.30%024%0.237CC..Hα-helixtrans-62-46176.8172.50000110.6Q117 I124 F125 T259 F271 F275 D276 I279Q117-V121 HydrophobicContact CG-CG2 4.01Å; Q117-V121 VanDerWaalsContact O-CB 3.31Å; Q117-V121 WeakPolarHBondContact O-CB 3.31Å; Q117-V121 WeakPolarHBondContact O-CG2 3.1Å; Q117-V121 PolarHBondContact O-N 3.34Å; V121-I124 PolarHBondContact O-N 3.47Å; V121-F125 VanDerWaalsContact O-CB 3.27Å; V121-F125 WeakPolarHBondContact O-CB 3.34Å; V121-F125 PolarHBondContact O-N 2.93Å; V121-T259 HydrophobicContact CB-CG2 3.96Å; V121-T259 HydrophobicContact CG1-CG2 3.85Å; V121-T259 HydrophobicContact CG2-CG2 4.49Å; V121-F271 HydrophobicContact CG1-CD2 3.58Å; V121-F271 HydrophobicContact CG1-CE2 3.84Å; V121-F271 HydrophobicContact CG1-CG 4.22Å; V121-F275 HydrophobicContact CG1-CE1 4.08Å; V121-D276 HydrophobicContact CB-CB 4.48Å; V121-D276 HydrophobicContact CG1-CB 3.82Å; V121-D276 HydrophobicContact CG2-CB 3.74Å; V121-I279 HydrophobicContact CB-CD1 4.43Å; V121-I279 HydrophobicContact CG1-CD1 4.35Å; V121-I279 HydrophobicContact CG2-CB 3.93Å; V121-I279 HydrophobicContact CG2-CD1 4.02Å; V121-I279 HydrophobicContact CG2-CG2 3.59Å
122Q98.6Very high98.2Very high48 Ų4844.1 Ų44.122%0.22425%0.249CC..Hα-helixtrans-65.4-37.9177.8-70.7-177.3-14.200112.2T118 F125 N126 P260 P262 F271T118-Q122 HydrophobicContact CG2-CG 4.33Å; T118-Q122 VanDerWaalsContact O-CB 3.31Å; T118-Q122 WeakPolarHBondContact O-CB 3.23Å; T118-Q122 VanDerWaalsContact O-CG 3.22Å; T118-Q122 WeakPolarHBondContact O-CG 3.27Å; T118-Q122 PolarHBondContact O-N 2.87Å; Q122-F125 PolarHBondContact O-N 2.75Å; Q122-N126 VanDerWaalsContact O-CB 3.31Å; Q122-N126 WeakPolarHBondContact O-CB 3.45Å; Q122-N126 PolarHBondContact O-N 3.13Å; Q122-N126 PolarHBondContact O-ND2 3.24Å; Q122-P260 PolarHBondContact NE2-O 3.22Å; Q122-P262 HydrophobicContact CB-CB 4.4Å; Q122-P262 HydrophobicContact CB-CG 4.07Å; Q122-P262 HydrophobicContact CG-CB 4.09Å; Q122-P262 HydrophobicContact CG-CG 3.89Å; Q122-F271 HydrophobicContact CG-CE2 4.5Å
123D98.5Very high98.1Very high63 Ų6345.9 Ų45.934%0.33726%0.256SS..Hα-helixtrans-63.2-46.4174.6174.470.9000112.4A119 I120 N126 K127A119-D123 WeakPolarHBondContact O-CB 3.48Å; A119-D123 PolarHBondContact O-N 2.87Å; I120-D123 PolarHBondContact O-N 3.34Å; D123-N126 PolarHBondContact O-N 2.92Å; D123-K127 WeakPolarHBondContact O-CG 2.95Å; D123-K127 PolarHBondContact O-N 3.16Å; D123-K127 WeakPolarHBondContact OD1-CE 3.34Å; D123-K127 IonicContact OD1-NZ 2.79Å; D123-K127 PolarHBondContact OD1-NZ 3.08Å; D123-K127 IonicContact OD2-NZ 3.43Å; D123-K127 PolarHBondContact OD2-NZ 3.2Å
124I98.4Very high98.1Very high0 Ų045.6 Ų45.60%025%0.253CS..Hα-helixtrans-62-46.6175.6-73.7173.2000110.5I120 V121 K127 L128 I279 I282 T324 L325 T328 Y332I120-I124 HydrophobicContact CG2-CD1 3.95Å; I120-I124 WeakPolarHBondContact O-CG1 3.33Å; I120-I124 PolarHBondContact O-N 2.96Å; V121-I124 PolarHBondContact O-N 3.47Å; I124-K127 PolarHBondContact O-N 3.46Å; I124-L128 HydrophobicContact CG2-CD2 3.99Å; I124-L128 WeakPolarHBondContact O-CD2 3.49Å; I124-L128 WeakPolarHBondContact O-CG 3.47Å; I124-L128 PolarHBondContact O-N 2.8Å; I124-I279 HydrophobicContact CB-CD1 4.4Å; I124-I279 HydrophobicContact CD1-CD1 4.1Å; I124-I279 HydrophobicContact CD1-CG1 4.1Å; I124-I279 HydrophobicContact CD1-CG2 3.88Å; I124-I279 HydrophobicContact CG2-CD1 4.09Å; I124-I282 HydrophobicContact CD1-CD1 4.17Å; I124-T324 HydrophobicContact CG2-CG2 3.6Å; I124-L325 HydrophobicContact CD1-CD2 4.34Å; I124-T328 HydrophobicContact CB-CG2 4.4Å; I124-T328 HydrophobicContact CG1-CG2 4.48Å; I124-T328 HydrophobicContact CG2-CG2 3.9Å; I124-Y332 HydrophobicContact CG1-CE2 4.45Å; I124-Y332 WeakPolarHBondContact CG1-OH 3.24Å
125F98.4Very high98Very high0 Ų045.2 Ų45.20%025%0.252CS..Hα-helixtrans-59.6-49177.6168.4-99.7000112.1V121 Q122 K127 L128 H129 T134 L205 I251 P262 L263 F271 F275V121-F125 VanDerWaalsContact O-CB 3.27Å; V121-F125 WeakPolarHBondContact O-CB 3.34Å; V121-F125 PolarHBondContact O-N 2.93Å; Q122-F125 PolarHBondContact O-N 2.75Å; F125-K127 VanDerWaalsContact C-N 3.26Å; F125-K127 PolarHBondContact O-N 2.83Å; F125-L128 WeakPolarHBondContact O-CG 3.15Å; F125-L128 PolarHBondContact O-N 3.11Å; F125-H129 HydrophobicContact CE1-CB 4.32Å; F125-H129 HydrophobicContact CE2-CB 4.22Å; F125-H129 HydrophobicContact CZ-CB 4.05Å; F125-H129 AromaticContact CZ-CG 3.99Å; F125-H129 AromaticContact CZ-ND1 3.99Å; F125-H129 WeakPolarHBondContact O-CB 2.9Å; F125-H129 PolarHBondContact O-N 2.8Å; F125-T134 HydrophobicContact CE2-CG2 4.27Å; F125-L205 HydrophobicContact CE2-CD1 3.74Å; F125-L205 HydrophobicContact CZ-CD1 3.62Å; F125-I251 HydrophobicContact CD2-CD1 4.24Å; F125-I251 HydrophobicContact CE2-CD1 4.23Å; F125-P262 HydrophobicContact CD1-CG 3.53Å; F125-P262 HydrophobicContact CE1-CG 3.82Å; F125-L263 HydrophobicContact CE1-CD1 4.13Å; F125-L263 HydrophobicContact CE1-CD2 4.5Å; F125-L263 HydrophobicContact CE1-CG 4Å; F125-L263 HydrophobicContact CZ-CD1 3.82Å; F125-L263 HydrophobicContact CZ-CG 4.21Å; F125-F271 HydrophobicContact CB-CE1 4.27Å; F125-F271 HydrophobicContact CB-CE2 4.46Å; F125-F271 HydrophobicContact CB-CZ 3.72Å; F125-F271 HydrophobicContact CD1-CE1 4.5Å; F125-F271 AromaticContact CD1-CZ 3.81Å; F125-F271 HydrophobicContact CD1-CZ 3.81Å; F125-F271 AromaticContact CD2-CE1 3.55Å; F125-F271 HydrophobicContact CD2-CE1 3.55Å; F125-F271 AromaticContact CD2-CZ 3.66Å; F125-F271 HydrophobicContact CD2-CZ 3.66Å; F125-F271 HydrophobicContact CE1-CZ 4.37Å; F125-F271 HydrophobicContact CE2-CE1 4.01Å; F125-F271 HydrophobicContact CE2-CZ 4.24Å; F125-F271 AromaticContact CG-CE1 3.83Å; F125-F271 HydrophobicContact CG-CE1 3.83Å; F125-F271 HydrophobicContact CG-CE2 4.48Å; F125-F271 AromaticContact CG-CZ 3.4Å; F125-F271 HydrophobicContact CG-CZ 3.4Å; F125-F271 VanDerWaalsContact CG-CZ 3.4Å; F125-F275 HydrophobicContact CB-CZ 4.41Å
126N98.4Very high97.9Very high73 Ų7339.8 Ų39.839%0.3923%0.231SC..Hα-helixtrans-59.4-40.5-178.2-74.7-20.9000111.3Q122 D123 S130 P262Q122-N126 VanDerWaalsContact O-CB 3.31Å; Q122-N126 WeakPolarHBondContact O-CB 3.45Å; Q122-N126 PolarHBondContact O-N 3.13Å; Q122-N126 PolarHBondContact O-ND2 3.24Å; D123-N126 PolarHBondContact O-N 2.92Å; N126-S130 WeakPolarHBondContact O-CB 3.4Å; N126-S130 PolarHBondContact O-N 3.35Å; N126-S130 PolarHBondContact O-OG 2.86Å; N126-P262 WeakPolarHBondContact OD1-CG 3.42Å
127K98.2Very high97.6Very high49 Ų4940.1 Ų40.121%0.21323%0.232CC..Hα-helixtrans-67.3-46.6177.7-71.2167.8-176.6158.50112.8D123 I124 F125 H129 S130 N131 T328 Q330D123-K127 WeakPolarHBondContact O-CG 2.95Å; D123-K127 PolarHBondContact O-N 3.16Å; D123-K127 WeakPolarHBondContact OD1-CE 3.34Å; D123-K127 IonicContact OD1-NZ 2.79Å; D123-K127 PolarHBondContact OD1-NZ 3.08Å; D123-K127 IonicContact OD2-NZ 3.43Å; D123-K127 PolarHBondContact OD2-NZ 3.2Å; I124-K127 PolarHBondContact O-N 3.46Å; F125-K127 VanDerWaalsContact C-N 3.26Å; F125-K127 PolarHBondContact O-N 2.83Å; K127-H129 VanDerWaalsContact C-N 3.32Å; K127-S130 PolarHBondContact O-OG 3.49Å; K127-N131 WeakPolarHBondContact O-CB 3.25Å; K127-N131 PolarHBondContact O-N 3.22Å; K127-N131 PolarHBondContact O-ND2 3.43Å; K127-N131 PolarHBondContact O-OD1 3Å; K127-T328 HydrophobicContact CB-CG2 4.22Å; K127-Q330 HydrophobicContact CD-CG 4Å
128L97.2Very high97.2Very high0 Ų044 Ų440%026%0.259CS..Hα-helixtrans-70.3-32.8179.674.489.9000111.7I124 F125 N131 G132 Y133 T134 L207 F275 T324 A327I124-L128 HydrophobicContact CG2-CD2 3.99Å; I124-L128 WeakPolarHBondContact O-CD2 3.49Å; I124-L128 WeakPolarHBondContact O-CG 3.47Å; I124-L128 PolarHBondContact O-N 2.8Å; F125-L128 WeakPolarHBondContact O-CG 3.15Å; F125-L128 PolarHBondContact O-N 3.11Å; L128-N131 PolarHBondContact O-N 2.96Å; L128-G132 PolarHBondContact O-N 3.49Å; L128-Y133 PolarHBondContact O-N 3.02Å; L128-Y133 VanDerWaalsContact O-N 3.13Å; L128-T134 HydrophobicContact CD1-CG2 3.34Å; L128-L207 HydrophobicContact CD1-CD1 3.97Å; L128-F275 HydrophobicContact CD2-CE2 4.01Å; L128-F275 HydrophobicContact CD2-CZ 3.99Å; L128-T324 HydrophobicContact CD2-CG2 3.84Å; L128-A327 HydrophobicContact CB-CB 3.63Å
129H97.2Very high96.7Very high64 Ų6445 Ų4530%0.29627%0.265SS..Hα-helixtrans-64.7-49.8173.7-173.871.4000110.9F125 K127 N131 G132 T134F125-H129 HydrophobicContact CE1-CB 4.32Å; F125-H129 HydrophobicContact CE2-CB 4.22Å; F125-H129 HydrophobicContact CZ-CB 4.05Å; F125-H129 AromaticContact CZ-CG 3.99Å; F125-H129 AromaticContact CZ-ND1 3.99Å; F125-H129 WeakPolarHBondContact O-CB 2.9Å; F125-H129 PolarHBondContact O-N 2.8Å; K127-H129 VanDerWaalsContact C-N 3.32Å; H129-N131 PolarHBondContact O-N 2.86Å; H129-G132 PolarHBondContact O-N 3.43Å; H129-T134 HydrophobicContact CB-CG2 4.35Å; H129-T134 PolarHBondContact CE1-OG1 3.24Å; H129-T134 PolarHBondContact ND1-OG1 2.89Å
130S97.6Very high96.2Very high90 Ų9046 Ų4663%0.62926%0.263SS*.Hα-helixtrans-62.7-28.217764.70000113.1N126 K127 G132N126-S130 WeakPolarHBondContact O-CB 3.4Å; N126-S130 PolarHBondContact O-N 3.35Å; N126-S130 PolarHBondContact O-OG 2.86Å; K127-S130 PolarHBondContact O-OG 3.49Å; S130-G132 PolarHBondContact O-N 3.08Å
131N98Very high95.7Very high78 Ų7847.5 Ų47.542%0.41727%0.269SS..THydrogen-bonded Turntrans-81.73.3176.2-67.6-12.7000113.5K127 L128 H129 Y133 A327 T328K127-N131 WeakPolarHBondContact O-CB 3.25Å; K127-N131 PolarHBondContact O-N 3.22Å; K127-N131 PolarHBondContact O-ND2 3.43Å; K127-N131 PolarHBondContact O-OD1 3Å; L128-N131 PolarHBondContact O-N 2.96Å; H129-N131 PolarHBondContact O-N 2.86Å; N131-Y133 HydrophobicContact CB-CD2 3.78Å; N131-Y133 HydrophobicContact CB-CE2 3.95Å; N131-A327 PolarHBondContact ND2-O 3.37Å; N131-T328 PolarHBondContact ND2-O 2.83Å
132G97.3Very high95.4Very high42 Ų4247.9 Ų47.943%0.43327%0.271SS..THydrogen-bonded Turntrans79.620.4173.500000115.2L128 H129 S130L128-G132 PolarHBondContact O-N 3.49Å; H129-G132 PolarHBondContact O-N 3.43Å; S130-G132 PolarHBondContact O-N 3.08Å
133Y98Very high95.2Very high37 Ų3746 Ų4615%0.14526%0.263CS..  trans-93.713.4-179.8-68.8-65.4000114.5L128 N131 D208 K211 L212 K215 A327L128-Y133 PolarHBondContact O-N 3.02Å; L128-Y133 VanDerWaalsContact O-N 3.13Å; N131-Y133 HydrophobicContact CB-CD2 3.78Å; N131-Y133 HydrophobicContact CB-CE2 3.95Å; Y133-D208 PolarHBondContact O-N 3.25Å; Y133-K211 HydrophobicContact CD1-CB 4.23Å; Y133-K211 HydrophobicContact CE1-CB 4.24Å; Y133-L212 HydrophobicContact CD1-CD1 4.14Å; Y133-L212 HydrophobicContact CD1-CD2 3.48Å; Y133-L212 VanDerWaalsContact CD1-CD2 3.48Å; Y133-L212 HydrophobicContact CD1-CG 3.57Å; Y133-L212 HydrophobicContact CD2-CD2 4.22Å; Y133-L212 HydrophobicContact CE1-CD2 3.44Å; Y133-L212 VanDerWaalsContact CE1-CD2 3.44Å; Y133-L212 HydrophobicContact CE1-CG 3.88Å; Y133-L212 HydrophobicContact CE2-CD2 4.16Å; Y133-L212 HydrophobicContact CG-CD1 4.32Å; Y133-L212 HydrophobicContact CG-CD2 3.89Å; Y133-L212 HydrophobicContact CG-CG 4.17Å; Y133-K215 VanDerWaalsContact OH-CE 3.31Å; Y133-K215 WeakPolarHBondContact OH-CE 3.07Å; Y133-K215 PolarHBondContact OH-NZ 2.89Å; Y133-A327 HydrophobicContact CD2-CB 3.59Å; Y133-A327 HydrophobicContact CE2-CB 4.23Å; Y133-A327 HydrophobicContact CG-CB 3.91Å
134T97.2Very high95Very high20 Ų2043 Ų4312%0.12325%0.247CC..EExtended strand (participates in β ladder)trans-124.9150.317458.90000112.1F125 L128 H129 F206 I251F125-T134 HydrophobicContact CE2-CG2 4.27Å; L128-T134 HydrophobicContact CD1-CG2 3.34Å; H129-T134 HydrophobicContact CB-CG2 4.35Å; H129-T134 PolarHBondContact CE1-OG1 3.24Å; H129-T134 PolarHBondContact ND1-OG1 2.89Å; T134-F206 CarbonylContact C-O 3.51Å; T134-F206 WeakPolarHBondContact CA-O 3.44Å; T134-F206 WeakPolarHBondContact CB-O 3.32Å; T134-I251 HydrophobicContact CG2-CD1 4.49Å
135S95.4Very high94.6Very high26 Ų2646.3 Ų46.318%0.18227%0.269CS..EExtended strand (participates in β ladder)trans-125.7156.7169.759.30000110.2L205 F206 E248S135-L205 CarbonylContact O-C 3.41Å; S135-L205 WeakPolarHBondContact O-CA 3.48Å; S135-F206 PolarHBondContact N-O 2.97Å; S135-F206 PolarHBondContact O-N 3.46Å; S135-E248 PolarHBondContact OG-OE2 3.45Å
136T95.7Very high94.4Very high64 Ų6451 Ų5139%0.39330%0.298SS..EExtended strand (participates in β ladder)trans-108.6133.7171.7-58.80000109E203 H204 F266T136-E203 HydrophobicContact CG2-CB 4.35Å; T136-H204 WeakPolarHBondContact CA-O 3.49Å; T136-F266 HydrophobicContact CG2-CZ 4.03Å
137K92.6Very high93.9Very high90 Ų9049.5 Ų49.539%0.39129%0.293SS..EExtended strand (participates in β ladder)trans-140.9147.9174-58.8177.9173.6170.90110.5H204 F206 E248K137-H204 PolarHBondContact N-O 3.32Å; K137-H204 PolarHBondContact O-N 2.94Å; K137-F206 HydrophobicContact CB-CD2 4.09Å; K137-F206 HydrophobicContact CB-CE2 3.64Å; K137-F206 HydrophobicContact CB-CZ 4.32Å; K137-F206 HydrophobicContact CD-CD2 4.3Å; K137-F206 HydrophobicContact CD-CE2 4.28Å; K137-F206 HydrophobicContact CG-CD2 4.21Å; K137-F206 HydrophobicContact CG-CE2 4.21Å; K137-E248 WeakPolarHBondContact CE-OE2 3.19Å; K137-E248 IonicContact NZ-OE1 3.23Å; K137-E248 PolarHBondContact NZ-OE1 3.35Å; K137-E248 IonicContact NZ-OE2 3.01Å; K137-E248 PolarHBondContact NZ-OE2 2.86Å
138C91.3Very high93.5Very high83 Ų8353.3 Ų53.356%0.56132%0.315SS*.EExtended strand (participates in β ladder)trans-77.9137.6167.6-68.50000110.4S202C138-S202 WeakPolarHBondContact CA-O 3.46Å
139V86.7Confident93.1Very high49 Ų4955.7 Ų55.730%0.29732%0.324SS..EExtended strand (participates in β ladder)trans-124.5130.6172.6-174.10000108.2Q141 S202 H204 F206V139-Q141 HydrophobicContact CG1-CG 4.25Å; V139-S202 PolarHBondContact N-O 3.32Å; V139-S202 PolarHBondContact O-N 2.89Å; V139-H204 HydrophobicContact CG2-CB 4.29Å; V139-F206 HydrophobicContact CG2-CE2 4.27Å; V139-F206 HydrophobicContact CG2-CZ 3.85Å
140D87.7Confident92.7Very high79 Ų7954.7 Ų54.742%0.42232%0.32SS..EExtended strand (participates in β ladder)trans-79.4126.2174.1-69.2-24.5000110.3L199 S201D140-L199 HydrophobicContact CB-CD1 4.24Å; D140-L199 HydrophobicContact CB-CD2 3.97Å; D140-L199 HydrophobicContact CB-CG 4.08Å; D140-S201 WeakPolarHBondContact OD1-CA 3.47Å; D140-S201 WeakPolarHBondContact OD1-CB 3.41Å; D140-S201 PolarHBondContact OD1-OG 3.3Å
141Q88.7Confident92.3Very high43 Ų4350.9 Ų50.920%0.20129%0.292CS..EExtended strand (participates in β ladder)trans-135152.9-177.7-70.9175.3-19.900110.4V139 H143 F150 R200 H204 D254V139-Q141 HydrophobicContact CG1-CG 4.25Å; Q141-H143 PolarHBondContact O-N 3.06Å; Q141-F150 HydrophobicContact CB-CD1 3.63Å; Q141-F150 HydrophobicContact CB-CE1 4.14Å; Q141-R200 PolarHBondContact N-O 2.74Å; Q141-R200 PolarHBondContact O-N 3.29Å; Q141-R200 VanDerWaalsContact O-O 3.12Å; Q141-H204 PolarHBondContact NE2-NE2 3.32Å; Q141-D254 PolarHBondContact OE1-OD2 2.82Å
142L92.5Very high91.6Very high8 Ų848.7 Ų48.74%0.04229%0.285CS..EExtended strand (participates in β ladder)trans-75.2125.7172.6-71.3176.4000109.8L151 V156 A182 P188 P197 L199L142-L151 PolarHBondContact O-N 2.94Å; L142-V156 HydrophobicContact CB-CG2 4.48Å; L142-V156 HydrophobicContact CD1-CB 4.42Å; L142-V156 HydrophobicContact CD1-CG1 3.54Å; L142-V156 HydrophobicContact CD1-CG2 3.99Å; L142-A182 HydrophobicContact CD1-CB 4.12Å; L142-A182 WeakPolarHBondContact CD1-O 3.21Å; L142-P188 HydrophobicContact CD1-CB 3.78Å; L142-P188 HydrophobicContact CD1-CG 4.28Å; L142-P188 HydrophobicContact CD2-CG 4.2Å; L142-P197 HydrophobicContact CB-CB 4.06Å; L142-P197 HydrophobicContact CB-CG 4.15Å; L142-P197 HydrophobicContact CD1-CG 4.15Å; L142-P197 HydrophobicContact CD2-CB 4.43Å; L142-P197 HydrophobicContact CD2-CG 4.19Å; L142-P197 HydrophobicContact CG-CG 4.41Å; L142-L199 HydrophobicContact CD2-CD1 4.23Å
143H94.2Very high90.9Very high9 Ų950.3 Ų50.34%0.04228%0.283CS..EExtended strand (participates in β ladder)trans-113.9126.9178-177.6-82.5000110.3Q141 F150 P197 T198 R200Q141-H143 PolarHBondContact O-N 3.06Å; H143-F150 HydrophobicContact CB-CD1 4.05Å; H143-F150 HydrophobicContact CB-CE1 4.16Å; H143-P197 CarbonylContact O-C 3.56Å; H143-P197 VanDerWaalsContact O-CA 3.28Å; H143-P197 WeakPolarHBondContact O-CA 3.29Å; H143-P197 WeakPolarHBondContact O-CB 3.22Å; H143-T198 PolarHBondContact N-O 3.28Å; H143-T198 PolarHBondContact O-N 3.37Å; H143-R200 HydrophobicContact CB-CB 4.09Å; H143-R200 HydrophobicContact CB-CG 3.96Å
144C93.6Very high90.1Very high0 Ų056.3 Ų56.30%031%0.306CS..EExtended strand (participates in β ladder)trans-91.1112.9171.6-178.30000109.8T146 C147 N148 R149 L151 C190 C193C144-T146 VanDerWaalsContact C-N 3.32Å; C144-T146 PolarHBondContact O-N 3.13Å; C144-C147 HydrophobicContact CB-CB 4.02Å; C144-C147 PolarHBondContact SG-N 2.78Å; C144-C147 VanDerWaalsContact SG-N 3.37Å; C144-N148 VanDerWaalsContact O-CA 3.32Å; C144-N148 WeakPolarHBondContact O-CA 3.48Å; C144-N148 PolarHBondContact O-N 2.89Å; C144-R149 PolarHBondContact N-O 3.09Å; C144-R149 PolarHBondContact O-N 3.25Å; C144-L151 HydrophobicContact CB-CD1 4.06Å; C144-L151 HydrophobicContact CB-CD2 3.79Å; C144-L151 HydrophobicContact CB-CG 4.02Å; C144-C190 HydrophobicContact CB-CB 4.2Å; C144-C193 PolarHBondContact SG-SG 2.63Å
145S91.9Very high89.6Confident68 Ų6855.9 Ų55.948%0.47630%0.302SS..THydrogen-bonded Turntrans-63.9-36178.5-53.60000112.7N148S145-N148 PolarHBondContact O-N 3.41Å
146T92.2Very high89.4Confident100 Ų10054.8 Ų54.861%0.61329%0.294SS*.THydrogen-bonded Turntrans-71.3-45-179.6-49.80000112.3C144 N148C144-T146 VanDerWaalsContact C-N 3.32Å; C144-T146 PolarHBondContact O-N 3.13Å; T146-N148 PolarHBondContact O-N 3.11Å
147C89.2Confident89.3Confident41 Ų4153.4 Ų53.428%0.27728%0.284SS..THydrogen-bonded Turntrans-79.4-4.3174.9-62.50000112.8C144 R149 C193C144-C147 HydrophobicContact CB-CB 4.02Å; C144-C147 PolarHBondContact SG-N 2.78Å; C144-C147 VanDerWaalsContact SG-N 3.37Å; C147-R149 VanDerWaalsContact C-N 3.29Å; C147-R149 HydrophobicContact CB-CG 4Å; C147-R149 PolarHBondContact O-N 3.4Å; C147-C193 VanDerWaalsContact SG-SG 3.69Å
148N89Confident89.4Confident128 Ų12849.3 Ų49.368%0.68427%0.266SS*.THydrogen-bonded Turntrans4350.9-174.8-165.438.3000113.5C144 S145 T146C144-N148 VanDerWaalsContact O-CA 3.32Å; C144-N148 WeakPolarHBondContact O-CA 3.48Å; C144-N148 PolarHBondContact O-N 2.89Å; S145-N148 PolarHBondContact O-N 3.41Å; T146-N148 PolarHBondContact O-N 3.11Å
149R88.4Confident89.6Confident50 Ų5046.8 Ų46.819%0.18925%0.246CC..EExtended strand (participates in β ladder)trans-153.1152.3-178.875-164.6-27.6-148.8-1.8113.1E74 C144 C147 L151E74-R149 IonicContact OE2-CZ 2.96Å; E74-R149 IonicContact OE2-NH1 3.87Å; E74-R149 IonicContact OE2-NH2 2.79Å; E74-R149 PolarHBondContact OE2-NH2 3.29Å; C144-R149 PolarHBondContact N-O 3.09Å; C144-R149 PolarHBondContact O-N 3.25Å; C147-R149 VanDerWaalsContact C-N 3.29Å; C147-R149 HydrophobicContact CB-CG 4Å; C147-R149 PolarHBondContact O-N 3.4Å; R149-L151 HydrophobicContact CG-CD2 4.29Å
150F89.8Confident89.9Confident44 Ų4444.4 Ų44.419%0.19323%0.232CC..EExtended strand (participates in β ladder)trans-67.7138.6163.7-68.7-82.4000110Q141 H143 R200 D254Q141-F150 HydrophobicContact CB-CD1 3.63Å; Q141-F150 HydrophobicContact CB-CE1 4.14Å; H143-F150 HydrophobicContact CB-CD1 4.05Å; H143-F150 HydrophobicContact CB-CE1 4.16Å; F150-R200 HydrophobicContact CE1-CB 3.85Å; F150-R200 HydrophobicContact CZ-CB 4.31Å; F150-D254 HydrophobicContact CB-CB 3.79Å; F150-D254 HydrophobicContact CD2-CB 3.56Å; F150-D254 VanDerWaalsContact CD2-CG 3.43Å; F150-D254 HydrophobicContact CE2-CB 4.47Å; F150-D254 HydrophobicContact CG-CB 3.97Å
151L88.5Confident90.2Very high9 Ų942.6 Ų42.65%0.04722%0.224CC..PPolyproline II helixtrans-95.2120.8-177.3-59.3-179.2000109.3L142 C144 R149 F155 V156 C190 P197L142-L151 PolarHBondContact O-N 2.94Å; C144-L151 HydrophobicContact CB-CD1 4.06Å; C144-L151 HydrophobicContact CB-CD2 3.79Å; C144-L151 HydrophobicContact CB-CG 4.02Å; R149-L151 HydrophobicContact CG-CD2 4.29Å; L151-F155 HydrophobicContact CB-CB 4.36Å; L151-F155 HydrophobicContact CD2-CB 4.11Å; L151-V156 HydrophobicContact CB-CG2 3.52Å; L151-V156 HydrophobicContact CD1-CG2 3.96Å; L151-V156 HydrophobicContact CG-CG2 4.41Å; L151-C190 HydrophobicContact CD1-CB 3.77Å; L151-C190 HydrophobicContact CD2-CB 4.46Å; L151-C190 VanDerWaalsContact CD2-SG 3.54Å; L151-P197 HydrophobicContact CD1-CB 3.65Å; L151-P197 HydrophobicContact CD1-CG 3.85Å
152A84.4Confident90.5Very high32 Ų3246.2 Ų46.226%0.26424%0.24SC..PPolyproline II helixtrans-66.6156.4162.800000110T71 R154 F155T71-A152 HydrophobicContact CG2-CB 3.72Å; A152-R154 PolarHBondContact O-N 2.95Å; A152-F155 HydrophobicContact CB-CD2 4.21Å; A152-F155 WeakPolarHBondContact O-CA 3.33Å; A152-F155 PolarHBondContact O-N 3.21Å
153D82.2Confident90.6Very high76 Ų7648 Ų4841%0.40625%0.253SS..G310 helixtrans-50.1-34.9-177.8-55.6-20.2000113.5F155 V156 G170 D171D153-F155 VanDerWaalsContact C-N 3.26Å; D153-F155 PolarHBondContact O-N 3.07Å; D153-V156 PolarHBondContact O-N 3.35Å; D153-V156 VanDerWaalsContact O-O 3.14Å; D153-G170 PolarHBondContact O-N 3.15Å; D153-D171 HydrophobicContact CB-CB 3.89Å
154R81.1Confident90.5Very high163 Ų16350.6 Ų50.662%0.61527%0.272SS*.G310 helixtrans-68.3-20.7177.6-62.1-172.7-173.4-172.42.6114.6A152A152-R154 PolarHBondContact O-N 2.95Å
155F87.3Confident90.4Very high12 Ų1254.3 Ų54.35%0.05329%0.286CS..G310 helixtrans-99.18.3176.9-62.6-47.4000112.6T71 T75 L151 A152 D153 K191 L192T71-F155 HydrophobicContact CG2-CE2 3.92Å; T75-F155 HydrophobicContact CG2-CE1 3.82Å; T75-F155 HydrophobicContact CG2-CZ 4.11Å; T75-F155 WeakPolarHBondContact OG1-CZ 3.13Å; L151-F155 HydrophobicContact CB-CB 4.36Å; L151-F155 HydrophobicContact CD2-CB 4.11Å; A152-F155 HydrophobicContact CB-CD2 4.21Å; A152-F155 WeakPolarHBondContact O-CA 3.33Å; A152-F155 PolarHBondContact O-N 3.21Å; D153-F155 VanDerWaalsContact C-N 3.26Å; D153-F155 PolarHBondContact O-N 3.07Å; F155-K191 PolarHBondContact O-N 2.84Å; F155-L192 HydrophobicContact CD1-CD1 4.27Å; F155-L192 HydrophobicContact CD1-CD2 3.88Å; F155-L192 HydrophobicContact CD1-CG 4.01Å; F155-L192 HydrophobicContact CE1-CD1 4.42Å; F155-L192 HydrophobicContact CE1-CD2 3.81Å; F155-L192 HydrophobicContact CE1-CG 4.34Å; F155-L192 HydrophobicContact CG-CD1 4.36Å; F155-L192 HydrophobicContact CG-CG 4.42Å
156V90.9Very high90.3Very high2 Ų257.8 Ų57.81%0.01230%0.295CS..EExtended strand (participates in β ladder)trans-117.6128.8176.6-172.10000109.3L142 L151 D153 G170 A182 L185 P188L142-V156 HydrophobicContact CB-CG2 4.48Å; L142-V156 HydrophobicContact CD1-CB 4.42Å; L142-V156 HydrophobicContact CD1-CG1 3.54Å; L142-V156 HydrophobicContact CD1-CG2 3.99Å; L151-V156 HydrophobicContact CB-CG2 3.52Å; L151-V156 HydrophobicContact CD1-CG2 3.96Å; L151-V156 HydrophobicContact CG-CG2 4.41Å; D153-V156 PolarHBondContact O-N 3.35Å; D153-V156 VanDerWaalsContact O-O 3.14Å; V156-G170 PolarHBondContact O-N 3.37Å; V156-A182 HydrophobicContact CB-CB 4.36Å; V156-A182 HydrophobicContact CG1-CB 4.39Å; V156-A182 HydrophobicContact CG2-CB 4.24Å; V156-L185 HydrophobicContact CG1-CD1 3.68Å; V156-P188 HydrophobicContact CG1-CB 4.13Å
157E93.4Very high90.3Very high36 Ų3657.1 Ų57.117%0.16829%0.287CS..EExtended strand (participates in β ladder)trans-123.5153.8166.466.6-165.8-169.300108.8A168 P188 K189 H194E157-A168 CarbonylContact C-O 3.57Å; E157-A168 WeakPolarHBondContact CA-O 3.42Å; E157-P188 CarbonylContact O-C 3.56Å; E157-P188 WeakPolarHBondContact O-CA 3.46Å; E157-K189 HydrophobicContact CG-CB 3.9Å; E157-K189 PolarHBondContact N-O 3.32Å; E157-K189 VanDerWaalsContact N-O 3.09Å; E157-K189 PolarHBondContact O-N 3.1Å; E157-H194 IonicContact OE1-ND1 2.73Å
158G94.3Very high90.4Very high3 Ų355.2 Ų55.23%0.03127%0.274CS..EExtended strand (participates in β ladder)trans-179.1-173.5179.800000112.8H166 D167 A168G158-H166 CarbonylContact C-O 2.71Å; G158-H166 CarbonylContact O-C 3.53Å; G158-H166 VanDerWaalsContact O-C 3.24Å; G158-D167 PolarHBondContact O-N 2.78Å; G158-A168 PolarHBondContact N-O 3.02Å; G158-A168 WeakPolarHBondContact O-CA 3.27Å; G158-A168 WeakPolarHBondContact O-CB 3.26Å; G158-A168 PolarHBondContact O-N 3.15Å
159E96Very high90.4Very high30 Ų3052.8 Ų52.814%0.1426%0.255CS..EExtended strand (participates in β ladder)trans-86.4126.9178-178.9-173.3153.200111.4S164 Y165 H166 K186E159-S164 PolarHBondContact OE1-OG 2.94Å; E159-Y165 CarbonylContact C-O 3.53Å; E159-Y165 VanDerWaalsContact CA-O 3.28Å; E159-Y165 WeakPolarHBondContact CA-O 3.26Å; E159-H166 IonicContact OE2-CE1 2.69Å; E159-H166 PolarHBondContact OE2-CE1 3.12Å; E159-H166 IonicContact OE2-ND1 2.81Å; E159-H166 PolarHBondContact OE2-ND1 3.13Å; E159-K186 HydrophobicContact CB-CB 3.99Å; E159-K186 HydrophobicContact CG-CB 4.45Å; E159-K186 PolarHBondContact N-O 3.31Å; E159-K186 PolarHBondContact O-N 3.36Å
160C93.5Very high90.2Very high0 Ų050.4 Ų50.40%025%0.246CC..  trans-60.2125.6177.3176.60000110.8F162 C163 S164 Y165 A168 C173 I180C160-F162 PolarHBondContact O-N 3.12Å; C160-F162 PolarHBondContact SG-N 3.47Å; C160-F162 VanDerWaalsContact SG-N 3.39Å; C160-C163 PolarHBondContact SG-N 3.39Å; C160-C163 VanDerWaalsContact SG-SG 3.62Å; C160-S164 VanDerWaalsContact O-CA 3.31Å; C160-S164 WeakPolarHBondContact O-CA 3.11Å; C160-S164 PolarHBondContact O-N 3.49Å; C160-Y165 PolarHBondContact N-O 2.93Å; C160-A168 HydrophobicContact CB-CB 3.82Å; C160-C173 HydrophobicContact CB-CB 4.11Å; C160-I180 HydrophobicContact CB-CD1 4.44Å
161P94.3Very high89.9Confident40 Ų4050.8 Ų50.826%0.2625%0.251SS..THydrogen-bonded Turntrans-68.3-19.5179.927.6-33.6000113.2I180P161-I180 HydrophobicContact CG-CG2 4.29Å
162F93.3Very high89.6Confident119 Ų11953.4 Ų53.452%0.52226%0.263SS..THydrogen-bonded Turntrans-93.5-39-175.6-59.8-78.4000114.4C160 H178 I180C160-F162 PolarHBondContact O-N 3.12Å; C160-F162 PolarHBondContact SG-N 3.47Å; C160-F162 VanDerWaalsContact SG-N 3.39Å; F162-H178 HydrophobicContact CD2-CB 3.93Å; F162-H178 AromaticContact CD2-CD2 3.98Å; F162-H178 AromaticContact CD2-CG 3.96Å; F162-H178 HydrophobicContact CE2-CB 4.32Å; F162-I180 HydrophobicContact CD2-CD1 4.42Å; F162-I180 HydrophobicContact CD2-CG1 4.18Å; F162-I180 HydrophobicContact CE2-CG1 4.02Å
163C94.4Very high89.7Confident47 Ų4751.9 Ų51.932%0.31825%0.25SC..THydrogen-bonded Turntrans-1286.9-174.477.20000114.2C160 Y165 C173 C176C160-C163 PolarHBondContact SG-N 3.39Å; C160-C163 VanDerWaalsContact SG-SG 3.62Å; C163-Y165 PolarHBondContact O-N 2.99Å; C163-Y165 VanDerWaalsContact O-N 3.13Å; C163-C173 VanDerWaalsContact SG-SG 3.64Å; C163-C176 HydrophobicContact CB-CB 3.89Å; C163-C176 VanDerWaalsContact SG-SG 3.63Å
164S92.6Very high89.7Confident62 Ų6252.6 Ų52.643%0.43425%0.254SS..  trans57.324.4-179.3-62.50000115.4E159 C160 H166E159-S164 PolarHBondContact OE1-OG 2.94Å; C160-S164 VanDerWaalsContact O-CA 3.31Å; C160-S164 WeakPolarHBondContact O-CA 3.11Å; C160-S164 PolarHBondContact O-N 3.49Å; S164-H166 PolarHBondContact O-N 3.23Å
165Y92.2Very high89.9Confident79 Ų7950.4 Ų50.431%0.3125%0.254SS..  trans-70116.9172.3-179.5-121.1000110.2E159 C160 C163 D167 A168 L175E159-Y165 CarbonylContact C-O 3.53Å; E159-Y165 VanDerWaalsContact CA-O 3.28Å; E159-Y165 WeakPolarHBondContact CA-O 3.26Å; C160-Y165 PolarHBondContact N-O 2.93Å; C163-Y165 PolarHBondContact O-N 2.99Å; C163-Y165 VanDerWaalsContact O-N 3.13Å; Y165-D167 VanDerWaalsContact C-N 3.27Å; Y165-D167 VanDerWaalsContact CE1-C 3.43Å; Y165-D167 HydrophobicContact CE1-CB 3.94Å; Y165-D167 VanDerWaalsContact CE1-O 3.27Å; Y165-D167 WeakPolarHBondContact CE1-O 3.08Å; Y165-D167 PolarHBondContact O-N 2.87Å; Y165-A168 HydrophobicContact CD1-CB 4.22Å; Y165-L175 HydrophobicContact CD1-CB 3.98Å; Y165-L175 HydrophobicContact CD2-CB 3.98Å; Y165-L175 HydrophobicContact CD2-CD2 3.86Å; Y165-L175 HydrophobicContact CD2-CG 4.46Å; Y165-L175 HydrophobicContact CE1-CB 4.47Å; Y165-L175 HydrophobicContact CE2-CB 4.48Å; Y165-L175 HydrophobicContact CG-CB 3.7Å; Y165-L175 HydrophobicContact CG-CD2 4.07Å
166H90.5Very high90Very high141 Ų14152.1 Ų52.165%0.65327%0.267SS*.THydrogen-bonded Turntrans-73.3-6.6-170.3-67-65000116.3G158 E159 S164G158-H166 CarbonylContact C-O 2.71Å; G158-H166 CarbonylContact O-C 3.53Å; G158-H166 VanDerWaalsContact O-C 3.24Å; E159-H166 IonicContact OE2-CE1 2.69Å; E159-H166 PolarHBondContact OE2-CE1 3.12Å; E159-H166 IonicContact OE2-ND1 2.81Å; E159-H166 PolarHBondContact OE2-ND1 3.13Å; S164-H166 PolarHBondContact O-N 3.23Å
167D91Very high89.5Confident86 Ų8654 Ų5446%0.4629%0.286SS..THydrogen-bonded Turntrans-124.935.9-177-162.621.1000111.4G158 Y165G158-D167 PolarHBondContact O-N 2.78Å; Y165-D167 VanDerWaalsContact C-N 3.27Å; Y165-D167 VanDerWaalsContact CE1-C 3.43Å; Y165-D167 HydrophobicContact CE1-CB 3.94Å; Y165-D167 VanDerWaalsContact CE1-O 3.27Å; Y165-D167 WeakPolarHBondContact CE1-O 3.08Å; Y165-D167 PolarHBondContact O-N 2.87Å
168A90.7Very high88.9Confident0 Ų056.6 Ų56.60%030%0.298CS..EExtended strand (participates in β ladder)trans-72.2142174.900000110.8E157 G158 C160 Y165 C173 L185E157-A168 CarbonylContact C-O 3.57Å; E157-A168 WeakPolarHBondContact CA-O 3.42Å; G158-A168 PolarHBondContact N-O 3.02Å; G158-A168 WeakPolarHBondContact O-CA 3.27Å; G158-A168 WeakPolarHBondContact O-CB 3.26Å; G158-A168 PolarHBondContact O-N 3.15Å; C160-A168 HydrophobicContact CB-CB 3.82Å; Y165-A168 HydrophobicContact CD1-CB 4.22Å; A168-C173 HydrophobicContact CB-CB 4.11Å; A168-L185 HydrophobicContact CB-CD2 3.82Å
169R88.9Confident88.1Confident77 Ų7763 Ų6329%0.29133%0.331SS..EExtended strand (participates in β ladder)trans-83.1161.7177-60-175.9-75120.1-3.3110.5D171 Q172 D174R169-D171 VanDerWaalsContact CB-OD1 3.27Å; R169-D171 WeakPolarHBondContact CB-OD1 3.48Å; R169-D171 IonicContact CZ-OD1 3.95Å; R169-D171 IonicContact CZ-OD2 2.57Å; R169-D171 IonicContact NH1-OD1 3.79Å; R169-D171 PolarHBondContact NH1-OD1 2.96Å; R169-D171 IonicContact NH1-OD2 3.13Å; R169-D171 PolarHBondContact NH1-OD2 3.26Å; R169-D171 PolarHBondContact O-N 2.99Å; R169-D171 VanDerWaalsContact O-N 3.15Å; R169-Q172 WeakPolarHBondContact CB-O 3.31Å; R169-Q172 PolarHBondContact N-O 3.35Å; R169-D174 IonicContact CZ-OD1 3.98Å; R169-D174 IonicContact CZ-OD2 2.7Å; R169-D174 IonicContact NE-OD1 3.56Å; R169-D174 PolarHBondContact NE-OD1 3.22Å; R169-D174 IonicContact NE-OD2 3.36Å; R169-D174 PolarHBondContact NE-OD2 3.35Å; R169-D174 IonicContact NH2-OD1 2.83Å; R169-D174 PolarHBondContact NH2-OD1 3.2Å; R169-D174 IonicContact NH2-OD2 2.8Å
170G85.9Confident87.6Confident0 Ų061.9 Ų61.90%033%0.326CS..SBendtrans-61.3-18.4178.700000115.5D153 V156 N181 A182D153-G170 PolarHBondContact O-N 3.15Å; V156-G170 PolarHBondContact O-N 3.37Å; G170-N181 CarbonylContact O-C 3.57Å; G170-A182 WeakPolarHBondContact O-CA 3.34Å; G170-A182 PolarHBondContact O-N 2.7Å
171D83.5Confident87.2Confident52 Ų5266.8 Ų66.828%0.27835%0.352SS..SBendtrans-107.5-30.8-177.859.9-45.6000113.4D153 R169 L179 I180D153-D171 HydrophobicContact CB-CB 3.89Å; R169-D171 VanDerWaalsContact CB-OD1 3.27Å; R169-D171 WeakPolarHBondContact CB-OD1 3.48Å; R169-D171 IonicContact CZ-OD1 3.95Å; R169-D171 IonicContact CZ-OD2 2.57Å; R169-D171 IonicContact NH1-OD1 3.79Å; R169-D171 PolarHBondContact NH1-OD1 2.96Å; R169-D171 IonicContact NH1-OD2 3.13Å; R169-D171 PolarHBondContact NH1-OD2 3.26Å; R169-D171 PolarHBondContact O-N 2.99Å; R169-D171 VanDerWaalsContact O-N 3.15Å; D171-L179 WeakPolarHBondContact O-CA 3.46Å; D171-I180 CarbonylContact C-O 3.53Å; D171-I180 WeakPolarHBondContact CA-O 3.44Å; D171-I180 PolarHBondContact O-N 2.75Å
172Q80.5Confident86.9Confident64 Ų6465.1 Ų65.130%0.29934%0.341SS..BIsolated β-bridgetrans-157.9140-172.9-171.717428.300111.9R169 G177 H178 L179R169-Q172 WeakPolarHBondContact CB-O 3.31Å; R169-Q172 PolarHBondContact N-O 3.35Å; Q172-G177 PolarHBondContact NE2-O 2.86Å; Q172-G177 VanDerWaalsContact NE2-O 3.16Å; Q172-H178 WeakPolarHBondContact CA-O 3.36Å; Q172-L179 HydrophobicContact CB-CD2 4.21Å; Q172-L179 HydrophobicContact CG-CD2 4.13Å
173C87.3Confident86.8Confident0 Ų062.1 Ų62.10%033%0.334CS..  trans-82.6117.5165.8177.60000110.1C160 C163 A168 L175 G177 H178 I180C160-C173 HydrophobicContact CB-CB 4.11Å; C163-C173 VanDerWaalsContact SG-SG 3.64Å; A168-C173 HydrophobicContact CB-CB 4.11Å; C173-L175 PolarHBondContact O-N 3.5Å; C173-L175 PolarHBondContact SG-N 3.31Å; C173-G177 WeakPolarHBondContact O-CA 3.48Å; C173-G177 PolarHBondContact O-N 2.8Å; C173-H178 PolarHBondContact N-O 3.38Å; C173-I180 HydrophobicContact CB-CD1 3.66Å
174D83.2Confident86.6Confident91 Ų9164.1 Ų64.149%0.48734%0.339SS..THydrogen-bonded Turntrans-69.9-17.5-179.7-67.3-41.3000113.3R169R169-D174 IonicContact CZ-OD1 3.98Å; R169-D174 IonicContact CZ-OD2 2.7Å; R169-D174 IonicContact NE-OD1 3.56Å; R169-D174 PolarHBondContact NE-OD1 3.22Å; R169-D174 IonicContact NE-OD2 3.36Å; R169-D174 PolarHBondContact NE-OD2 3.35Å; R169-D174 IonicContact NH2-OD1 2.83Å; R169-D174 PolarHBondContact NH2-OD1 3.2Å; R169-D174 IonicContact NH2-OD2 2.8Å
175L84.7Confident86.6Confident117 Ų11761.6 Ų61.661%0.61332%0.32SS*.THydrogen-bonded Turntrans-83.2-53.4177.6-175.266.5000112.9Y165 C173Y165-L175 HydrophobicContact CD1-CB 3.98Å; Y165-L175 HydrophobicContact CD2-CB 3.98Å; Y165-L175 HydrophobicContact CD2-CD2 3.86Å; Y165-L175 HydrophobicContact CD2-CG 4.46Å; Y165-L175 HydrophobicContact CE1-CB 4.47Å; Y165-L175 HydrophobicContact CE2-CB 4.48Å; Y165-L175 HydrophobicContact CG-CB 3.7Å; Y165-L175 HydrophobicContact CG-CD2 4.07Å; C173-L175 PolarHBondContact O-N 3.5Å; C173-L175 PolarHBondContact SG-N 3.31Å
176C89.6Confident86.7Confident49 Ų4962.5 Ų62.533%0.33133%0.326SS..THydrogen-bonded Turntrans-99.9-3.9-175.871.80000114C163 H178C163-C176 HydrophobicContact CB-CB 3.89Å; C163-C176 VanDerWaalsContact SG-SG 3.63Å; C176-H178 PolarHBondContact O-N 3.14Å; C176-H178 VanDerWaalsContact O-N 3.17Å
177G79.6Confident86.8Confident40 Ų4061.1 Ų61.141%0.41232%0.323SS..  trans74.6-5.8177.600000115.8Q172 C173 L179Q172-G177 PolarHBondContact NE2-O 2.86Å; Q172-G177 VanDerWaalsContact NE2-O 3.16Å; C173-G177 WeakPolarHBondContact O-CA 3.48Å; C173-G177 PolarHBondContact O-N 2.8Å; G177-L179 PolarHBondContact O-N 3.29Å
178H81.5Confident87Confident92 Ų9258 Ų5843%0.42631%0.308SS..  trans-59.2134.7179.2-89.977.2000111.5F162 Q172 C173 C176 I180F162-H178 HydrophobicContact CD2-CB 3.93Å; F162-H178 AromaticContact CD2-CD2 3.98Å; F162-H178 AromaticContact CD2-CG 3.96Å; F162-H178 HydrophobicContact CE2-CB 4.32Å; Q172-H178 WeakPolarHBondContact CA-O 3.36Å; C173-H178 PolarHBondContact N-O 3.38Å; C176-H178 PolarHBondContact O-N 3.14Å; C176-H178 VanDerWaalsContact O-N 3.17Å; H178-I180 HydrophobicContact CB-CG1 4.34Å
179L77.3Confident87.2Confident137 Ų13762.9 Ų62.972%0.71733%0.329SS*.BIsolated β-bridgetrans-77.7129.3166.2-61176.2000108.3D171 Q172 G177D171-L179 WeakPolarHBondContact O-CA 3.46Å; Q172-L179 HydrophobicContact CB-CD2 4.21Å; Q172-L179 HydrophobicContact CG-CD2 4.13Å; G177-L179 PolarHBondContact O-N 3.29Å
180I84.6Confident87.5Confident6 Ų659.2 Ų59.23%0.03132%0.315CS..  trans-130.1148-172.1-56.1163.4000107C160 P161 F162 D171 C173 H178 E184 L185C160-I180 HydrophobicContact CB-CD1 4.44Å; P161-I180 HydrophobicContact CG-CG2 4.29Å; F162-I180 HydrophobicContact CD2-CD1 4.42Å; F162-I180 HydrophobicContact CD2-CG1 4.18Å; F162-I180 HydrophobicContact CE2-CG1 4.02Å; D171-I180 CarbonylContact C-O 3.53Å; D171-I180 WeakPolarHBondContact CA-O 3.44Å; D171-I180 PolarHBondContact O-N 2.75Å; C173-I180 HydrophobicContact CB-CD1 3.66Å; H178-I180 HydrophobicContact CB-CG1 4.34Å; I180-E184 HydrophobicContact CG2-CB 3.84Å; I180-L185 HydrophobicContact CD1-CD2 4.5Å; I180-L185 HydrophobicContact CG2-CD2 4.42Å
181N85.6Confident87.6Confident104 Ų10464.5 Ų64.556%0.55634%0.338SS*.  trans-89.6137.6165.9-60.3-61.4000109.4G170 P183 E184G170-N181 CarbonylContact O-C 3.57Å; N181-P183 VanDerWaalsContact C-N 3.28Å; N181-E184 HydrophobicContact CB-CG 4.19Å; N181-E184 PolarHBondContact N-OE2 3.48Å; N181-E184 PolarHBondContact ND2-OE1 2.66Å; N181-E184 VanDerWaalsContact O-CB 3.28Å; N181-E184 WeakPolarHBondContact O-CB 3.37Å; N181-E184 PolarHBondContact O-N 3.19Å
182A88.5Confident87.8Confident4 Ų465 Ų653%0.03334%0.341CS..G310 helixtrans-50.4-37.9-175.200000115.1L142 V156 G170 E184 L185L142-A182 HydrophobicContact CD1-CB 4.12Å; L142-A182 WeakPolarHBondContact CD1-O 3.21Å; V156-A182 HydrophobicContact CB-CB 4.36Å; V156-A182 HydrophobicContact CG1-CB 4.39Å; V156-A182 HydrophobicContact CG2-CB 4.24Å; G170-A182 WeakPolarHBondContact O-CA 3.34Å; G170-A182 PolarHBondContact O-N 2.7Å; A182-E184 PolarHBondContact O-N 2.99Å; A182-L185 WeakPolarHBondContact O-CB 3.46Å; A182-L185 PolarHBondContact O-N 2.69Å
183P89.9Confident88.4Confident57 Ų5763.7 Ų63.737%0.3734%0.338SS..G310 helixtrans-58.3-22.6172-30.940.1000116.7N181 L199N181-P183 VanDerWaalsContact C-N 3.28Å; P183-L199 HydrophobicContact CB-CD1 3.64Å; P183-L199 HydrophobicContact CG-CD1 3.96Å
184E91.5Very high88.6Confident88 Ų8869.6 Ų69.641%0.41137%0.365SS..G310 helixtrans-83.7-12.3-177.9-60.8166.5-173.800112.7I180 N181 A182I180-E184 HydrophobicContact CG2-CB 3.84Å; N181-E184 HydrophobicContact CB-CG 4.19Å; N181-E184 PolarHBondContact N-OE2 3.48Å; N181-E184 PolarHBondContact ND2-OE1 2.66Å; N181-E184 VanDerWaalsContact O-CB 3.28Å; N181-E184 WeakPolarHBondContact O-CB 3.37Å; N181-E184 PolarHBondContact O-N 3.19Å; A182-E184 PolarHBondContact O-N 2.99Å
185L92.5Very high89.2Confident9 Ų970.4 Ų70.45%0.04737%0.366CS..  trans-64.1135.3176.5-73.8173.3000110.9V156 A168 I180 A182 P188V156-L185 HydrophobicContact CG1-CD1 3.68Å; A168-L185 HydrophobicContact CB-CD2 3.82Å; I180-L185 HydrophobicContact CD1-CD2 4.5Å; I180-L185 HydrophobicContact CG2-CD2 4.42Å; A182-L185 WeakPolarHBondContact O-CB 3.46Å; A182-L185 PolarHBondContact O-N 2.69Å; L185-P188 HydrophobicContact CB-CB 4.45Å
186K93.8Very high89.6Confident99 Ų9969.4 Ų69.443%0.4337%0.365SS..EExtended strand (participates in β ladder)trans-79141.8170.1-67176.6-176170.20109E159E159-K186 HydrophobicContact CB-CB 3.99Å; E159-K186 HydrophobicContact CG-CB 4.45Å; E159-K186 PolarHBondContact N-O 3.31Å; E159-K186 PolarHBondContact O-N 3.36Å
187N93.6Very high89.9Confident112 Ų11267.4 Ų67.460%0.59935%0.351SS*.EExtended strand (participates in β ladder)trans48.452179.7-56.8-46.8000113.4
188P94.7Very high90.5Very high20 Ų2068.6 Ų68.613%0.1335%0.35CS..EExtended strand (participates in β ladder)trans-61.6147.8-177.128.6-34.4000110.2L142 V156 E157 L185 P197L142-P188 HydrophobicContact CD1-CB 3.78Å; L142-P188 HydrophobicContact CD1-CG 4.28Å; L142-P188 HydrophobicContact CD2-CG 4.2Å; V156-P188 HydrophobicContact CG1-CB 4.13Å; E157-P188 CarbonylContact O-C 3.56Å; E157-P188 WeakPolarHBondContact O-CA 3.46Å; L185-P188 HydrophobicContact CB-CB 4.45Å; P188-P197 HydrophobicContact CB-CG 3.95Å; P188-P197 HydrophobicContact CG-CG 4.16Å; P188-P197 WeakPolarHBondContact O-CD 3.41Å
189K95.4Very high91Very high102 Ų10268.6 Ų68.644%0.44335%0.353SS..EExtended strand (participates in β ladder)trans-132.1141.5176.6-66.4-178.5-170175.50109.6E157 K191E157-K189 HydrophobicContact CG-CB 3.9Å; E157-K189 PolarHBondContact N-O 3.32Å; E157-K189 VanDerWaalsContact N-O 3.09Å; E157-K189 PolarHBondContact O-N 3.1Å; K189-K191 PolarHBondContact O-N 3.41Å
190C93.9Very high91.7Very high0 Ų067.8 Ų67.80%034%0.341CS..EExtended strand (participates in β ladder)trans-74120.5169.7-178.70000109.5C144 L151 L192 C193 H194 Q195C144-C190 HydrophobicContact CB-CB 4.2Å; L151-C190 HydrophobicContact CD1-CB 3.77Å; L151-C190 HydrophobicContact CD2-CB 4.46Å; L151-C190 VanDerWaalsContact CD2-SG 3.54Å; C190-L192 PolarHBondContact O-N 2.89Å; C190-L192 VanDerWaalsContact O-N 3.11Å; C190-C193 PolarHBondContact O-N 3.43Å; C190-H194 WeakPolarHBondContact O-CA 3.46Å; C190-H194 PolarHBondContact O-N 2.78Å; C190-Q195 WeakPolarHBondContact CB-O 3.41Å; C190-Q195 PolarHBondContact N-O 3.08Å
191K89.4Confident91.9Very high111 Ų11171.4 Ų71.448%0.48337%0.366SS..THydrogen-bonded Turntrans-63.8-18.4179.1-160.8170.4-171.7170.30114F155 K189F155-K191 PolarHBondContact O-N 2.84Å; K189-K191 PolarHBondContact O-N 3.41Å
192L87.8Confident92.1Very high64 Ų6466.8 Ų66.834%0.33534%0.342SS..THydrogen-bonded Turntrans-83.6-38.1-178.1-59.9174.3000113.2F155 C190F155-L192 HydrophobicContact CD1-CD1 4.27Å; F155-L192 HydrophobicContact CD1-CD2 3.88Å; F155-L192 HydrophobicContact CD1-CG 4.01Å; F155-L192 HydrophobicContact CE1-CD1 4.42Å; F155-L192 HydrophobicContact CE1-CD2 3.81Å; F155-L192 HydrophobicContact CE1-CG 4.34Å; F155-L192 HydrophobicContact CG-CD1 4.36Å; F155-L192 HydrophobicContact CG-CG 4.42Å; C190-L192 PolarHBondContact O-N 2.89Å; C190-L192 VanDerWaalsContact O-N 3.11Å
193C92.4Very high92.3Very high35 Ų3570.9 Ų70.924%0.23636%0.361CS..THydrogen-bonded Turntrans-1322-173.875.50000114.1C144 C147 C190 Q195C144-C193 PolarHBondContact SG-SG 2.63Å; C147-C193 VanDerWaalsContact SG-SG 3.69Å; C190-C193 PolarHBondContact O-N 3.43Å; C193-Q195 PolarHBondContact O-N 2.88Å
194H92.1Very high92.6Very high124 Ų12468.2 Ų68.257%0.57434%0.343SS*.  trans58.711.6-178.9-52.1-68.9000116.1E157 C190E157-H194 IonicContact OE1-ND1 2.73Å; C190-H194 WeakPolarHBondContact O-CA 3.46Å; C190-H194 PolarHBondContact O-N 2.78Å
195Q93.9Very high92.8Very high108 Ų10864 Ų6451%0.50532%0.324SS..PPolyproline II helixtrans-81.5152.2174.9-64.1-63.8-29.200111.2C190 C193 P197C190-Q195 WeakPolarHBondContact CB-O 3.41Å; C190-Q195 PolarHBondContact N-O 3.08Å; C193-Q195 PolarHBondContact O-N 2.88Å; Q195-P197 WeakPolarHBondContact O-CD 3.39Å
196T94.5Very high93Very high97 Ų9765 Ų6560%0.59533%0.327SS*.PPolyproline II helixtrans-71.4117.4175.4-57.50000110.1
197P94.8Very high93.1Very high7 Ų760.3 Ų60.35%0.04531%0.307CS..PPolyproline II helixtrans-74.4154.9173.731.1-28.2000110.9L142 H143 L151 P188 Q195L142-P197 HydrophobicContact CB-CB 4.06Å; L142-P197 HydrophobicContact CB-CG 4.15Å; L142-P197 HydrophobicContact CD1-CG 4.15Å; L142-P197 HydrophobicContact CD2-CB 4.43Å; L142-P197 HydrophobicContact CD2-CG 4.19Å; L142-P197 HydrophobicContact CG-CG 4.41Å; H143-P197 CarbonylContact O-C 3.56Å; H143-P197 VanDerWaalsContact O-CA 3.28Å; H143-P197 WeakPolarHBondContact O-CA 3.29Å; H143-P197 WeakPolarHBondContact O-CB 3.22Å; L151-P197 HydrophobicContact CD1-CB 3.65Å; L151-P197 HydrophobicContact CD1-CG 3.85Å; P188-P197 HydrophobicContact CB-CG 3.95Å; P188-P197 HydrophobicContact CG-CG 4.16Å; P188-P197 WeakPolarHBondContact O-CD 3.41Å; Q195-P197 WeakPolarHBondContact O-CD 3.39Å
198T93.7Very high93.3Very high64 Ų6455.4 Ų55.439%0.39328%0.281SS..EExtended strand (participates in β ladder)trans-107143.1176.655.80000110.1H143 R200H143-T198 PolarHBondContact N-O 3.28Å; H143-T198 PolarHBondContact O-N 3.37Å; T198-R200 PolarHBondContact O-N 2.87Å
199L92.1Very high93.3Very high92 Ų9254.7 Ų54.748%0.48228%0.276SS..EExtended strand (participates in β ladder)trans-64.2129.7171.1-155.182.1000109.9D140 L142 P183D140-L199 HydrophobicContact CB-CD1 4.24Å; D140-L199 HydrophobicContact CB-CD2 3.97Å; D140-L199 HydrophobicContact CB-CG 4.08Å; L142-L199 HydrophobicContact CD2-CD1 4.23Å; P183-L199 HydrophobicContact CB-CD1 3.64Å; P183-L199 HydrophobicContact CG-CD1 3.96Å
200R90.8Very high93.3Very high121 Ų12152 Ų5246%0.45727%0.273SS..EExtended strand (participates in β ladder)trans-137138.8171-73-169.4-179.7-172.9-3.4109.6Q141 H143 F150 T198Q141-R200 PolarHBondContact N-O 2.74Å; Q141-R200 PolarHBondContact O-N 3.29Å; Q141-R200 VanDerWaalsContact O-O 3.12Å; H143-R200 HydrophobicContact CB-CB 4.09Å; H143-R200 HydrophobicContact CB-CG 3.96Å; F150-R200 HydrophobicContact CE1-CB 3.85Å; F150-R200 HydrophobicContact CZ-CB 4.31Å; T198-R200 PolarHBondContact O-N 2.87Å
201S89.5Confident93.5Very high81 Ų8157.6 Ų57.657%0.56630%0.297SS*.EExtended strand (participates in β ladder)trans-78.8136.6172.4-47.60000110.1D140D140-S201 WeakPolarHBondContact OD1-CA 3.47Å; D140-S201 WeakPolarHBondContact OD1-CB 3.41Å; D140-S201 PolarHBondContact OD1-OG 3.3Å
202S89.7Confident93.9Very high7 Ų752.3 Ų52.35%0.04927%0.274CS..EExtended strand (participates in β ladder)trans-130.4128.1-177.8-167.80000108.9C138 V139 H204 D254 K269C138-S202 WeakPolarHBondContact CA-O 3.46Å; V139-S202 PolarHBondContact N-O 3.32Å; V139-S202 PolarHBondContact O-N 2.89Å; S202-H204 PolarHBondContact O-CD2 2.77Å; S202-D254 PolarHBondContact OG-OD1 2.92Å; S202-D254 PolarHBondContact OG-OD2 3.05Å; S202-K269 PolarHBondContact OG-NZ 3.07Å
203E93.6Very high94.3Very high90 Ų9050.7 Ų50.742%0.42127%0.265SS..EExtended strand (participates in β ladder)trans-73.4139.7176.1-74.3-169138.800111.1T136 F266 K269T136-E203 HydrophobicContact CG2-CB 4.35Å; E203-F266 HydrophobicContact CB-CE1 4.37Å; E203-F266 HydrophobicContact CB-CZ 4.31Å; E203-F266 WeakPolarHBondContact O-CE1 3.43Å; E203-K269 WeakPolarHBondContact O-CE 3.2Å; E203-K269 PolarHBondContact O-NZ 3.3Å
204H95Very high94.6Very high2 Ų253 Ų531%0.00928%0.279CS..EExtended strand (participates in β ladder)trans-137.9142.8-179.3-78.8-74.1000111.9T136 K137 V139 Q141 S202 F206 T252 D254T136-H204 WeakPolarHBondContact CA-O 3.49Å; K137-H204 PolarHBondContact N-O 3.32Å; K137-H204 PolarHBondContact O-N 2.94Å; V139-H204 HydrophobicContact CG2-CB 4.29Å; Q141-H204 PolarHBondContact NE2-NE2 3.32Å; S202-H204 PolarHBondContact O-CD2 2.77Å; H204-F206 HydrophobicContact CB-CD2 4.39Å; H204-F206 HydrophobicContact CB-CE2 3.7Å; H204-F206 HydrophobicContact CB-CZ 4.38Å; H204-F206 WeakPolarHBondContact O-CD2 3.45Å; H204-T252 WeakPolarHBondContact CA-OG1 3.47Å; H204-T252 PolarHBondContact ND1-O 3.47Å; H204-T252 PolarHBondContact ND1-OG1 2.91Å; H204-D254 IonicContact CE1-OD2 3.34Å; H204-D254 PolarHBondContact CE1-OD2 3.35Å; H204-D254 IonicContact NE2-OD2 3.68Å; H204-D254 PolarHBondContact NE2-OD2 3.44Å; H204-D254 VanDerWaalsContact NE2-OD2 3.12Å
205L96.6Very high94.9Very high0 Ų051.5 Ų51.50%027%0.271CS..EExtended strand (participates in β ladder)trans-83.5139.9167.5-62.2165.7000110.7F125 S135 C250 I251 T252 V261 L263 F266F125-L205 HydrophobicContact CE2-CD1 3.74Å; F125-L205 HydrophobicContact CZ-CD1 3.62Å; S135-L205 CarbonylContact O-C 3.41Å; S135-L205 WeakPolarHBondContact O-CA 3.48Å; L205-C250 WeakPolarHBondContact O-CA 3.31Å; L205-I251 HydrophobicContact CB-CD1 4.29Å; L205-I251 HydrophobicContact CB-CG1 3.9Å; L205-I251 WeakPolarHBondContact O-CG1 3.38Å; L205-I251 PolarHBondContact O-N 3.11Å; L205-T252 HydrophobicContact CB-CG2 3.8Å; L205-T252 HydrophobicContact CD1-CG2 3.83Å; L205-T252 HydrophobicContact CG-CG2 4.07Å; L205-T252 PolarHBondContact N-OG1 3.44Å; L205-V261 HydrophobicContact CD1-CG1 3.75Å; L205-L263 HydrophobicContact CD1-CD1 4.07Å; L205-L263 HydrophobicContact CD2-CD1 4.31Å; L205-F266 HydrophobicContact CD1-CD1 4.38Å; L205-F266 HydrophobicContact CD1-CD2 4.08Å; L205-F266 HydrophobicContact CD1-CE1 4.48Å; L205-F266 HydrophobicContact CD1-CE2 4.13Å; L205-F266 HydrophobicContact CD1-CG 4.28Å; L205-F266 HydrophobicContact CD1-CZ 4.39Å; L205-F266 HydrophobicContact CD2-CD2 4.4Å; L205-F266 HydrophobicContact CD2-CE2 3.66Å; L205-F266 HydrophobicContact CD2-CZ 3.82Å; L205-F266 HydrophobicContact CG-CD1 4.23Å; L205-F266 HydrophobicContact CG-CD2 4.15Å; L205-F266 HydrophobicContact CG-CE1 3.85Å; L205-F266 HydrophobicContact CG-CE2 3.69Å; L205-F266 HydrophobicContact CG-CG 4.45Å; L205-F266 HydrophobicContact CG-CZ 3.59Å
206F96.2Very high95Very high28 Ų2846.4 Ų46.412%0.12325%0.247CC..EExtended strand (participates in β ladder)trans-122.1139.2175.2-67-109.5000110.1T134 S135 K137 V139 H204 E248 R249 C250T134-F206 CarbonylContact C-O 3.51Å; T134-F206 WeakPolarHBondContact CA-O 3.44Å; T134-F206 WeakPolarHBondContact CB-O 3.32Å; S135-F206 PolarHBondContact N-O 2.97Å; S135-F206 PolarHBondContact O-N 3.46Å; K137-F206 HydrophobicContact CB-CD2 4.09Å; K137-F206 HydrophobicContact CB-CE2 3.64Å; K137-F206 HydrophobicContact CB-CZ 4.32Å; K137-F206 HydrophobicContact CD-CD2 4.3Å; K137-F206 HydrophobicContact CD-CE2 4.28Å; K137-F206 HydrophobicContact CG-CD2 4.21Å; K137-F206 HydrophobicContact CG-CE2 4.21Å; V139-F206 HydrophobicContact CG2-CE2 4.27Å; V139-F206 HydrophobicContact CG2-CZ 3.85Å; H204-F206 HydrophobicContact CB-CD2 4.39Å; H204-F206 HydrophobicContact CB-CE2 3.7Å; H204-F206 HydrophobicContact CB-CZ 4.38Å; H204-F206 WeakPolarHBondContact O-CD2 3.45Å; F206-E248 HydrophobicContact CB-CB 4.27Å; F206-E248 HydrophobicContact CD1-CB 4.27Å; F206-R249 CarbonylContact C-O 3.55Å; F206-R249 WeakPolarHBondContact CA-O 3.25Å; F206-C250 HydrophobicContact CD1-CB 3.86Å; F206-C250 VanDerWaalsContact CD1-N 3.34Å; F206-C250 HydrophobicContact CE1-CB 3.56Å; F206-C250 HydrophobicContact CE2-CB 4.4Å; F206-C250 HydrophobicContact CG-CB 4.4Å; F206-C250 HydrophobicContact CZ-CB 3.85Å
207L96.2Very high95.2Very high1 Ų145.4 Ų45.41%0.00524%0.236CC..EExtended strand (participates in β ladder)trans-82.5123.4166.3177.966000108.8L128 L209 L212 E248 R249 I251L128-L207 HydrophobicContact CD1-CD1 3.97Å; L207-L209 VanDerWaalsContact C-N 3.33Å; L207-L209 HydrophobicContact CD2-CD2 3.55Å; L207-L209 HydrophobicContact CD2-CG 4.23Å; L207-L209 HydrophobicContact CG-CD2 3.9Å; L207-L209 HydrophobicContact CG-CG 4.27Å; L207-L209 PolarHBondContact O-N 3.02Å; L207-L212 HydrophobicContact CD1-CD1 3.88Å; L207-L212 HydrophobicContact CG-CD1 4.37Å; L207-E248 WeakPolarHBondContact O-CA 3.06Å; L207-R249 PolarHBondContact N-O 2.99Å; L207-R249 PolarHBondContact O-N 2.87Å; L207-I251 HydrophobicContact CB-CG2 3.64Å
208D96.4Very high95.3Very high10 Ų1047.8 Ų47.85%0.05326%0.256CS..  trans-83.475.9-177.6-163.6-23.9000111Y133 A210 K211 L212Y133-D208 PolarHBondContact O-N 3.25Å; D208-A210 PolarHBondContact O-N 3.23Å; D208-A210 PolarHBondContact OD1-N 3.27Å; D208-K211 HydrophobicContact CB-CB 4.37Å; D208-K211 HydrophobicContact CB-CD 4.33Å; D208-K211 HydrophobicContact CB-CG 4.48Å; D208-K211 PolarHBondContact O-N 3.4Å; D208-K211 PolarHBondContact OD1-N 2.72Å; D208-K211 VanDerWaalsContact OD1-N 3.11Å; D208-K211 WeakPolarHBondContact OD2-CD 3.38Å; D208-K211 WeakPolarHBondContact OD2-CE 3.39Å; D208-K211 WeakPolarHBondContact OD2-CG 3.48Å; D208-K211 IonicContact OD2-NZ 3.28Å; D208-K211 PolarHBondContact OD2-NZ 3.33Å; D208-L212 PolarHBondContact O-N 3.31Å
209L95.8Very high95.4Very high4 Ų446.3 Ų46.32%0.02124%0.244CC..Hα-helixtrans-64.6-26.1179.1-65.5-180000112.7L207 L212 Q213 L246 R249 V320 A323L207-L209 VanDerWaalsContact C-N 3.33Å; L207-L209 HydrophobicContact CD2-CD2 3.55Å; L207-L209 HydrophobicContact CD2-CG 4.23Å; L207-L209 HydrophobicContact CG-CD2 3.9Å; L207-L209 HydrophobicContact CG-CG 4.27Å; L207-L209 PolarHBondContact O-N 3.02Å; L209-L212 HydrophobicContact CD2-CD1 4.47Å; L209-L212 CarbonylContact O-C 3.58Å; L209-L212 PolarHBondContact O-N 2.99Å; L209-L212 VanDerWaalsContact O-N 3.14Å; L209-Q213 PolarHBondContact O-N 3.33Å; L209-L246 HydrophobicContact CB-CB 3.85Å; L209-L246 HydrophobicContact CB-CD1 4.25Å; L209-R249 HydrophobicContact CD1-CB 4.37Å; L209-R249 HydrophobicContact CD1-CG 3.55Å; L209-R249 HydrophobicContact CG-CG 4.38Å; L209-V320 HydrophobicContact CD1-CG2 4.4Å; L209-A323 HydrophobicContact CD2-CB 3.65Å
210A95.6Very high95.6Very high46 Ų4642 Ų4238%0.3822%0.221SC..Hα-helixtrans-61.8-46.4176.100000110.6D208 L212 Q213 L246D208-A210 PolarHBondContact O-N 3.23Å; D208-A210 PolarHBondContact OD1-N 3.27Å; A210-L212 PolarHBondContact O-N 3.11Å; A210-Q213 PolarHBondContact O-N 3.12Å; A210-L246 WeakPolarHBondContact CA-O 3.45Å; A210-L246 VanDerWaalsContact CB-O 3.3Å; A210-L246 WeakPolarHBondContact CB-O 3.13Å
211K97Very high95.8Very high117 Ų11743.1 Ų43.151%0.50923%0.232SC..Hα-helixtrans-64.9-27173.5-74.6-176.5-171.6135.40113.7Y133 D208Y133-K211 HydrophobicContact CD1-CB 4.23Å; Y133-K211 HydrophobicContact CE1-CB 4.24Å; D208-K211 HydrophobicContact CB-CB 4.37Å; D208-K211 HydrophobicContact CB-CD 4.33Å; D208-K211 HydrophobicContact CB-CG 4.48Å; D208-K211 PolarHBondContact O-N 3.4Å; D208-K211 PolarHBondContact OD1-N 2.72Å; D208-K211 VanDerWaalsContact OD1-N 3.11Å; D208-K211 WeakPolarHBondContact OD2-CD 3.38Å; D208-K211 WeakPolarHBondContact OD2-CE 3.39Å; D208-K211 WeakPolarHBondContact OD2-CG 3.48Å; D208-K211 IonicContact OD2-NZ 3.28Å; D208-K211 PolarHBondContact OD2-NZ 3.33Å
212L97.4Very high96Very high0 Ų045.8 Ų45.80%023%0.233CC..Hα-helixtrans-87.6-19.1-178.8-71.4163.8000113.3Y133 L207 D208 L209 A210 K215 V216 A323 A327Y133-L212 HydrophobicContact CD1-CD1 4.14Å; Y133-L212 HydrophobicContact CD1-CD2 3.48Å; Y133-L212 VanDerWaalsContact CD1-CD2 3.48Å; Y133-L212 HydrophobicContact CD1-CG 3.57Å; Y133-L212 HydrophobicContact CD2-CD2 4.22Å; Y133-L212 HydrophobicContact CE1-CD2 3.44Å; Y133-L212 VanDerWaalsContact CE1-CD2 3.44Å; Y133-L212 HydrophobicContact CE1-CG 3.88Å; Y133-L212 HydrophobicContact CE2-CD2 4.16Å; Y133-L212 HydrophobicContact CG-CD1 4.32Å; Y133-L212 HydrophobicContact CG-CD2 3.89Å; Y133-L212 HydrophobicContact CG-CG 4.17Å; L207-L212 HydrophobicContact CD1-CD1 3.88Å; L207-L212 HydrophobicContact CG-CD1 4.37Å; D208-L212 PolarHBondContact O-N 3.31Å; L209-L212 HydrophobicContact CD2-CD1 4.47Å; L209-L212 CarbonylContact O-C 3.58Å; L209-L212 PolarHBondContact O-N 2.99Å; L209-L212 VanDerWaalsContact O-N 3.14Å; A210-L212 PolarHBondContact O-N 3.11Å; L212-K215 HydrophobicContact CD2-CD 4.48Å; L212-K215 WeakPolarHBondContact O-CB 3.24Å; L212-K215 PolarHBondContact O-N 3.49Å; L212-V216 PolarHBondContact O-N 3.15Å; L212-A323 HydrophobicContact CB-CB 4.15Å; L212-A323 HydrophobicContact CD1-CB 4.01Å; L212-A327 HydrophobicContact CD1-CB 3.97Å; L212-A327 HydrophobicContact CD2-CB 3.74Å
213Q98.1Very high96.1Very high30 Ų3046.6 Ų46.614%0.1424%0.237CC..Hα-helixtrans-50.5-47.8-176178.9167.6-13.200113.5L209 A210 K215 V216 E217 L242 L246L209-Q213 PolarHBondContact O-N 3.33Å; A210-Q213 PolarHBondContact O-N 3.12Å; Q213-K215 VanDerWaalsContact C-N 3.27Å; Q213-K215 PolarHBondContact O-N 2.89Å; Q213-V216 PolarHBondContact O-N 3.48Å; Q213-V216 VanDerWaalsContact O-N 3.08Å; Q213-E217 HydrophobicContact CG-CG 4.14Å; Q213-E217 PolarHBondContact NE2-OE1 2.93Å; Q213-E217 WeakPolarHBondContact O-CG 3.14Å; Q213-E217 PolarHBondContact O-N 3.49Å; Q213-L242 HydrophobicContact CG-CD2 4.21Å; Q213-L242 PolarHBondContact NE2-O 3.02Å; Q213-L246 HydrophobicContact CB-CB 4.36Å; Q213-L246 HydrophobicContact CB-CD1 3.93Å; Q213-L246 HydrophobicContact CB-CG 4.2Å; Q213-L246 HydrophobicContact CG-CD1 4.21Å; Q213-L246 HydrophobicContact CG-CG 4.23Å
214P98.1Very high96Very high83 Ų8345.5 Ų45.554%0.53923%0.229SC..Hα-helixtrans-60.5-35.1179.8-24.535000113.4A218P214-A218 WeakPolarHBondContact O-CB 3.12Å; P214-A218 PolarHBondContact O-N 3.29Å; P214-A218 VanDerWaalsContact O-N 3.08Å
215K97.5Very high95.7Very high94 Ų9449.8 Ų49.841%0.40926%0.259SS..Hα-helixtrans-70.5-40176.5-70-175169.5-175.20111.5Y133 L212 Q213 Y219 L326Y133-K215 VanDerWaalsContact OH-CE 3.31Å; Y133-K215 WeakPolarHBondContact OH-CE 3.07Å; Y133-K215 PolarHBondContact OH-NZ 2.89Å; L212-K215 HydrophobicContact CD2-CD 4.48Å; L212-K215 WeakPolarHBondContact O-CB 3.24Å; L212-K215 PolarHBondContact O-N 3.49Å; Q213-K215 VanDerWaalsContact C-N 3.27Å; Q213-K215 PolarHBondContact O-N 2.89Å; K215-Y219 WeakPolarHBondContact O-CB 3.38Å; K215-Y219 PolarHBondContact O-N 3.38Å; K215-L326 HydrophobicContact CB-CD1 4.37Å
216V97.6Very high95.2Very high0 Ų055.3 Ų55.30%029%0.288CS..Hα-helixtrans-66.1-45.3177.5174.50000110.6L212 Q213 Y219 L220 L242 A323 L326L212-V216 PolarHBondContact O-N 3.15Å; Q213-V216 PolarHBondContact O-N 3.48Å; Q213-V216 VanDerWaalsContact O-N 3.08Å; V216-Y219 WeakPolarHBondContact O-CB 3.36Å; V216-Y219 PolarHBondContact O-N 3.16Å; V216-L220 HydrophobicContact CG1-CD1 3.8Å; V216-L220 HydrophobicContact CG1-CG 4.3Å; V216-L220 WeakPolarHBondContact O-CB 3.05Å; V216-L220 VanDerWaalsContact O-CG 3.31Å; V216-L220 WeakPolarHBondContact O-CG 3.39Å; V216-L220 PolarHBondContact O-N 3.44Å; V216-L242 HydrophobicContact CG1-CD2 4.44Å; V216-A323 HydrophobicContact CG2-CB 3.69Å; V216-L326 HydrophobicContact CG2-CD1 4.23Å
217E97.6Very high94.4Very high76 Ų7656.5 Ų56.536%0.35531%0.308SS..Hα-helixtrans-61.4-46177.1-73.6175163.200111.8Q213 Y219 L220 Q221 L242Q213-E217 HydrophobicContact CG-CG 4.14Å; Q213-E217 PolarHBondContact NE2-OE1 2.93Å; Q213-E217 WeakPolarHBondContact O-CG 3.14Å; Q213-E217 PolarHBondContact O-N 3.49Å; E217-Y219 VanDerWaalsContact C-N 3.32Å; E217-Y219 PolarHBondContact O-N 3.28Å; E217-L220 PolarHBondContact O-N 2.95Å; E217-Q221 VanDerWaalsContact O-CB 3.27Å; E217-Q221 WeakPolarHBondContact O-CB 3.42Å; E217-Q221 PolarHBondContact O-N 2.79Å; E217-L242 HydrophobicContact CG-CD1 4.24Å; E217-L242 HydrophobicContact CG-CD2 4.03Å
218A97Very high93.6Very high57 Ų5757.4 Ų57.447%0.47132%0.316SS..Hα-helixtrans-60.9-41.6176.300000112.1P214 K222P214-A218 WeakPolarHBondContact O-CB 3.12Å; P214-A218 PolarHBondContact O-N 3.29Å; P214-A218 VanDerWaalsContact O-N 3.08Å; A218-K222 WeakPolarHBondContact O-CB 3.16Å; A218-K222 PolarHBondContact O-N 3.1Å; A218-K222 VanDerWaalsContact O-N 3.13Å
219Y95.7Very high92.6Very high34 Ų3459.4 Ų59.413%0.13333%0.329CS..Hα-helixtrans-61-50.3174.5158-107000111.9K215 V216 E217 K222 L223 P322 L326 M334 V335K215-Y219 WeakPolarHBondContact O-CB 3.38Å; K215-Y219 PolarHBondContact O-N 3.38Å; V216-Y219 WeakPolarHBondContact O-CB 3.36Å; V216-Y219 PolarHBondContact O-N 3.16Å; E217-Y219 VanDerWaalsContact C-N 3.32Å; E217-Y219 PolarHBondContact O-N 3.28Å; Y219-K222 PolarHBondContact O-N 3.45Å; Y219-L223 HydrophobicContact CE1-CD2 4.48Å; Y219-L223 WeakPolarHBondContact O-CB 3.38Å; Y219-L223 PolarHBondContact O-N 3.02Å; Y219-P322 HydrophobicContact CD1-CB 4.41Å; Y219-P322 HydrophobicContact CE1-CB 4.09Å; Y219-P322 HydrophobicContact CE1-CG 4.4Å; Y219-L326 HydrophobicContact CG-CD1 4.45Å; Y219-M334 HydrophobicContact CD1-CE 4.35Å; Y219-M334 HydrophobicContact CD2-CB 4.49Å; Y219-M334 HydrophobicContact CD2-CE 4.3Å; Y219-M334 HydrophobicContact CE1-CE 4.12Å; Y219-M334 HydrophobicContact CE2-CB 3.5Å; Y219-M334 VanDerWaalsContact CE2-CB 3.5Å; Y219-M334 HydrophobicContact CE2-CE 4.05Å; Y219-M334 HydrophobicContact CE2-CG 3.96Å; Y219-M334 HydrophobicContact CG-CE 4.43Å; Y219-M334 WeakPolarHBondContact OH-CB 3.44Å; Y219-V335 WeakPolarHBondContact OH-CG1 3.39Å; Y219-V335 PolarHBondContact OH-N 3.42Å; Y219-V335 PolarHBondContact OH-O 3.12Å
220L96.1Very high92.3Very high1 Ų159.9 Ų59.91%0.00533%0.33CS..Hα-helixtrans-66.8-39.9-178.3-70172.3000112.1V216 E217 K222 L223 W224 W230 T238 L242V216-L220 HydrophobicContact CG1-CD1 3.8Å; V216-L220 HydrophobicContact CG1-CG 4.3Å; V216-L220 WeakPolarHBondContact O-CB 3.05Å; V216-L220 VanDerWaalsContact O-CG 3.31Å; V216-L220 WeakPolarHBondContact O-CG 3.39Å; V216-L220 PolarHBondContact O-N 3.44Å; E217-L220 PolarHBondContact O-N 2.95Å; L220-K222 VanDerWaalsContact C-N 3.34Å; L220-K222 PolarHBondContact O-N 3.17Å; L220-L223 PolarHBondContact O-N 3.38Å; L220-W224 HydrophobicContact CB-CE3 4.49Å; L220-W224 HydrophobicContact CB-CH2 4.26Å; L220-W224 HydrophobicContact CB-CZ2 4.43Å; L220-W224 HydrophobicContact CB-CZ3 4.29Å; L220-W224 HydrophobicContact CD1-CH2 4.48Å; L220-W224 HydrophobicContact CD2-CZ2 4.44Å; L220-W224 PolarHBondContact O-N 3.46Å; L220-W230 HydrophobicContact CD2-CH2 3.5Å; L220-W230 VanDerWaalsContact CD2-CH2 3.5Å; L220-W230 HydrophobicContact CD2-CZ2 4.07Å; L220-W230 HydrophobicContact CD2-CZ3 4.23Å; L220-T238 HydrophobicContact CD1-CG2 3.76Å; L220-L242 HydrophobicContact CD1-CD1 3.75Å
221Q94.7Very high92Very high144 Ų14458 Ų5867%0.67331%0.314SS*.Hα-helixtrans-60.6-45.5176.9-173.6175.316.300110.9E217 S225E217-Q221 VanDerWaalsContact O-CB 3.27Å; E217-Q221 WeakPolarHBondContact O-CB 3.42Å; E217-Q221 PolarHBondContact O-N 2.79Å; Q221-S225 WeakPolarHBondContact O-CB 3.35Å; Q221-S225 PolarHBondContact O-N 2.93Å; Q221-S225 PolarHBondContact O-OG 3.1Å
222K93.8Very high91.7Very high137 Ų13755.9 Ų55.960%0.59631%0.314SS*.Hα-helixtrans-62.5-46174.5-177-179.9177.6-176.20111.7A218 Y219 L220 W224 S225 D226A218-K222 WeakPolarHBondContact O-CB 3.16Å; A218-K222 PolarHBondContact O-N 3.1Å; A218-K222 VanDerWaalsContact O-N 3.13Å; Y219-K222 PolarHBondContact O-N 3.45Å; L220-K222 VanDerWaalsContact C-N 3.34Å; L220-K222 PolarHBondContact O-N 3.17Å; K222-W224 VanDerWaalsContact C-N 3.33Å; K222-W224 PolarHBondContact O-N 3.38Å; K222-S225 WeakPolarHBondContact CA-OG 3.5Å; K222-S225 PolarHBondContact O-N 2.9Å; K222-S225 PolarHBondContact O-OG 3.17Å; K222-D226 WeakPolarHBondContact O-CB 3.34Å; K222-D226 PolarHBondContact O-N 3.46Å
223L92.7Very high91.3Very high24 Ų2456.7 Ų56.713%0.12632%0.318CS..Hα-helixtrans-58.2-45.5-179.5-178.567.6000111.7Y219 L220 D226 A228 W230 V335Y219-L223 HydrophobicContact CE1-CD2 4.48Å; Y219-L223 WeakPolarHBondContact O-CB 3.38Å; Y219-L223 PolarHBondContact O-N 3.02Å; L220-L223 PolarHBondContact O-N 3.38Å; L223-D226 PolarHBondContact O-N 2.74Å; L223-A228 HydrophobicContact CD1-CB 3.77Å; L223-A228 HydrophobicContact CD2-CB 4.34Å; L223-A228 HydrophobicContact CG-CB 3.58Å; L223-A228 WeakPolarHBondContact O-CB 3.4Å; L223-A228 PolarHBondContact O-N 3.46Å; L223-W230 HydrophobicContact CD2-CZ2 3.48Å; L223-W230 VanDerWaalsContact CD2-CZ2 3.48Å; L223-V335 WeakPolarHBondContact CD2-O 3.5Å
224W90.1Very high91Very high68 Ų6855.2 Ų55.226%0.25831%0.311SS..Hα-helixtrans-72.6-33.5178.6-64.2-31000113L220 K222 D226 G227 W230 I235 K239L220-W224 HydrophobicContact CB-CE3 4.49Å; L220-W224 HydrophobicContact CB-CH2 4.26Å; L220-W224 HydrophobicContact CB-CZ2 4.43Å; L220-W224 HydrophobicContact CB-CZ3 4.29Å; L220-W224 HydrophobicContact CD1-CH2 4.48Å; L220-W224 HydrophobicContact CD2-CZ2 4.44Å; L220-W224 PolarHBondContact O-N 3.46Å; K222-W224 VanDerWaalsContact C-N 3.33Å; K222-W224 PolarHBondContact O-N 3.38Å; W224-D226 VanDerWaalsContact C-N 3.27Å; W224-D226 PolarHBondContact O-N 2.94Å; W224-G227 PolarHBondContact O-N 3.16Å; W224-W230 HydrophobicContact CZ2-CE3 4.35Å; W224-W230 HydrophobicContact CZ2-CZ3 4.25Å; W224-W230 AromaticContact NE1-CD2 3.87Å; W224-W230 AromaticContact NE1-CE3 3.99Å; W224-I235 HydrophobicContact CZ2-CG2 4.41Å; W224-K239 HydrophobicContact CH2-CG 4.08Å; W224-K239 HydrophobicContact CZ3-CG 4.44Å
225S89Confident90.8Very high91 Ų9153.4 Ų53.464%0.63630%0.297SS*.Hα-helixtrans-66.4-31.217362.60000112.7Q221 K222 G227Q221-S225 WeakPolarHBondContact O-CB 3.35Å; Q221-S225 PolarHBondContact O-N 2.93Å; Q221-S225 PolarHBondContact O-OG 3.1Å; K222-S225 WeakPolarHBondContact CA-OG 3.5Å; K222-S225 PolarHBondContact O-N 2.9Å; K222-S225 PolarHBondContact O-OG 3.17Å; S225-G227 PolarHBondContact O-N 3.03Å
226D85.6Confident90.6Very high117 Ų11751.9 Ų51.963%0.62630%0.302SS*.THydrogen-bonded Turntrans-77.43.3177.8-67.3-6.4000112.7K222 L223 W224K222-D226 WeakPolarHBondContact O-CB 3.34Å; K222-D226 PolarHBondContact O-N 3.46Å; L223-D226 PolarHBondContact O-N 2.74Å; W224-D226 VanDerWaalsContact C-N 3.27Å; W224-D226 PolarHBondContact O-N 2.94Å
227G79.7Confident90.3Very high52 Ų5254.2 Ų54.254%0.53631%0.314SS..THydrogen-bonded Turntrans88.720.217400000115W224 S225 V229W224-G227 PolarHBondContact O-N 3.16Å; S225-G227 PolarHBondContact O-N 3.03Å; G227-V229 PolarHBondContact O-N 2.92Å
228A79.5Confident90.2Very high20 Ų2050.6 Ų50.617%0.16530%0.297CS..  trans-58.4127.617600000112.1L223 S336L223-A228 HydrophobicContact CD1-CB 3.77Å; L223-A228 HydrophobicContact CD2-CB 4.34Å; L223-A228 HydrophobicContact CG-CB 3.58Å; L223-A228 WeakPolarHBondContact O-CB 3.4Å; L223-A228 PolarHBondContact O-N 3.46Å; A228-S336 WeakPolarHBondContact CB-O 3.32Å
229V76.5Confident90.2Very high53 Ų5352.8 Ų52.832%0.32130%0.296SS..  trans-94.5107.3177.6-164.40000108.8G227 H337 D417 N418G227-V229 PolarHBondContact O-N 2.92Å; V229-H337 PolarHBondContact N-CE1 2.81Å; V229-H337 PolarHBondContact N-ND1 3Å; V229-H337 PolarHBondContact O-ND1 3.2Å; V229-D417 WeakPolarHBondContact CG1-O 3.04Å; V229-N418 VanDerWaalsContact CG1-OD1 3.29Å; V229-N418 WeakPolarHBondContact CG1-OD1 3.39Å; V229-N418 PolarHBondContact O-OD1 3.38Å
230W89.8Confident90.1Very high13 Ų1352.6 Ų52.65%0.04930%0.304CS..  trans-111.9151.6172.1-75.126.7000109.1L220 L223 W224 A234 I235 T238 V335 S336 I338L220-W230 HydrophobicContact CD2-CH2 3.5Å; L220-W230 VanDerWaalsContact CD2-CH2 3.5Å; L220-W230 HydrophobicContact CD2-CZ2 4.07Å; L220-W230 HydrophobicContact CD2-CZ3 4.23Å; L223-W230 HydrophobicContact CD2-CZ2 3.48Å; L223-W230 VanDerWaalsContact CD2-CZ2 3.48Å; W224-W230 HydrophobicContact CZ2-CE3 4.35Å; W224-W230 HydrophobicContact CZ2-CZ3 4.25Å; W224-W230 AromaticContact NE1-CD2 3.87Å; W224-W230 AromaticContact NE1-CE3 3.99Å; W230-A234 HydrophobicContact CE3-CB 4.39Å; W230-I235 HydrophobicContact CB-CD1 3.99Å; W230-I235 HydrophobicContact CB-CG1 3.69Å; W230-I235 HydrophobicContact CE3-CG1 4.41Å; W230-T238 HydrophobicContact CZ3-CG2 4.44Å; W230-V335 HydrophobicContact CZ2-CG1 4.14Å; W230-S336 PolarHBondContact NE1-O 3.33Å; W230-I338 WeakPolarHBondContact CA-O 3.23Å; W230-I338 HydrophobicContact CD2-CB 3.97Å; W230-I338 HydrophobicContact CD2-CD1 4.29Å; W230-I338 HydrophobicContact CD2-CG1 4.1Å; W230-I338 HydrophobicContact CE3-CB 4.26Å; W230-I338 HydrophobicContact CE3-CD1 4.08Å; W230-I338 HydrophobicContact CE3-CG1 4.35Å; W230-I338 HydrophobicContact CG-CB 4.22Å; W230-I338 HydrophobicContact CH2-CD1 3.5Å; W230-I338 HydrophobicContact CH2-CG1 4.18Å; W230-I338 HydrophobicContact CZ2-CD1 3.74Å; W230-I338 HydrophobicContact CZ2-CG1 3.91Å; W230-I338 HydrophobicContact CZ3-CD1 3.7Å; W230-I338 HydrophobicContact CZ3-CG1 4.4Å
231S89.3Confident89.9Confident7 Ų756.7 Ų56.75%0.04932%0.32CS..  trans-62.6144.6171.761.50000110.8N233 A234 I235 I338 A340S231-N233 VanDerWaalsContact C-N 3.29Å; S231-N233 WeakPolarHBondContact CB-OD1 3.08Å; S231-N233 PolarHBondContact O-N 3.41Å; S231-N233 PolarHBondContact OG-OD1 3.41Å; S231-A234 WeakPolarHBondContact O-CB 3.35Å; S231-A234 PolarHBondContact O-N 2.87Å; S231-A234 WeakPolarHBondContact OG-CB 3.43Å; S231-I235 PolarHBondContact O-N 3.28Å; S231-I235 VanDerWaalsContact O-N 3.12Å; S231-I338 PolarHBondContact N-O 3.04Å; S231-A340 WeakPolarHBondContact OG-CB 3.2Å; S231-A340 PolarHBondContact OG-N 3.45Å; S231-A340 PolarHBondContact OG-O 2.86Å
232S90Very high90Very high72 Ų7250.5 Ų50.550%0.50329%0.291SS..Hα-helixtrans-59.5-39.3-173.454.70000112.8I235 A236S232-I235 PolarHBondContact O-N 3.17Å; S232-A236 WeakPolarHBondContact O-CB 3.38Å; S232-A236 PolarHBondContact O-N 3.37Å
233N88.9Confident90.1Very high17 Ų1750.4 Ų50.49%0.09130%0.297CS..Hα-helixtrans-62.3-40.8173.359.3-6.5000112.7S231 I235 A236 I237 A340 E342S231-N233 VanDerWaalsContact C-N 3.29Å; S231-N233 WeakPolarHBondContact CB-OD1 3.08Å; S231-N233 PolarHBondContact O-N 3.41Å; S231-N233 PolarHBondContact OG-OD1 3.41Å; N233-I235 PolarHBondContact O-N 2.93Å; N233-A236 PolarHBondContact O-N 3.16Å; N233-I237 WeakPolarHBondContact O-CB 3.28Å; N233-I237 WeakPolarHBondContact O-CD1 3.29Å; N233-I237 VanDerWaalsContact O-CG1 3.25Å; N233-I237 WeakPolarHBondContact O-CG1 3.49Å; N233-I237 PolarHBondContact O-N 3.46Å; N233-A340 PolarHBondContact ND2-O 2.78Å; N233-A340 PolarHBondContact OD1-O 3.32Å; N233-E342 WeakPolarHBondContact CB-OE1 3.39Å; N233-E342 PolarHBondContact ND2-OE1 2.9Å
234A92.6Very high89.9Confident0 Ų055.6 Ų55.60%033%0.325CS..Hα-helixtrans-64.5-41.7178.100000111.5W230 S231 T238 V314 I338 A340W230-A234 HydrophobicContact CE3-CB 4.39Å; S231-A234 WeakPolarHBondContact O-CB 3.35Å; S231-A234 PolarHBondContact O-N 2.87Å; S231-A234 WeakPolarHBondContact OG-CB 3.43Å; A234-T238 VanDerWaalsContact O-CB 3.29Å; A234-T238 WeakPolarHBondContact O-CB 3.21Å; A234-T238 PolarHBondContact O-N 3.2Å; A234-T238 PolarHBondContact O-OG1 2.82Å; A234-V314 HydrophobicContact CB-CG1 4.15Å; A234-V314 HydrophobicContact CB-CG2 4.16Å; A234-I338 HydrophobicContact CB-CB 4.39Å; A234-I338 HydrophobicContact CB-CG2 3.87Å; A234-A340 HydrophobicContact CB-CB 3.9Å
235I93.4Very high90.1Very high45 Ų4553.8 Ų53.823%0.23133%0.327CS..Hα-helixtrans-62.1-48.6174.6-63.7170.4000110.1W224 W230 S231 S232 N233 T238 K239W224-I235 HydrophobicContact CZ2-CG2 4.41Å; W230-I235 HydrophobicContact CB-CD1 3.99Å; W230-I235 HydrophobicContact CB-CG1 3.69Å; W230-I235 HydrophobicContact CE3-CG1 4.41Å; S231-I235 PolarHBondContact O-N 3.28Å; S231-I235 VanDerWaalsContact O-N 3.12Å; S232-I235 PolarHBondContact O-N 3.17Å; N233-I235 PolarHBondContact O-N 2.93Å; I235-T238 PolarHBondContact O-N 2.79Å; I235-K239 HydrophobicContact CG2-CD 3.99Å; I235-K239 HydrophobicContact CG2-CG 4.4Å; I235-K239 WeakPolarHBondContact O-CB 3.43Å; I235-K239 WeakPolarHBondContact O-CG 3.43Å; I235-K239 PolarHBondContact O-N 2.84Å
236A93.4Very high90.3Very high62 Ų6250 Ų5051%0.51230%0.3SS..Hα-helixtrans-60.9-47.8-178.300000112.1S232 N233 T238 K239 G240S232-A236 WeakPolarHBondContact O-CB 3.38Å; S232-A236 PolarHBondContact O-N 3.37Å; N233-A236 PolarHBondContact O-N 3.16Å; A236-T238 PolarHBondContact O-N 2.73Å; A236-K239 PolarHBondContact O-N 3.08Å; A236-G240 PolarHBondContact O-N 2.72Å
237I91.7Very high90.6Very high49 Ų4951 Ų5125%0.25130%0.299SS..Hα-helixtrans-60.8-46.8177.5-69164.8000110.5N233 K239 G240 W241 K311 V314N233-I237 WeakPolarHBondContact O-CB 3.28Å; N233-I237 WeakPolarHBondContact O-CD1 3.29Å; N233-I237 VanDerWaalsContact O-CG1 3.25Å; N233-I237 WeakPolarHBondContact O-CG1 3.49Å; N233-I237 PolarHBondContact O-N 3.46Å; I237-K239 PolarHBondContact O-N 3.23Å; I237-G240 PolarHBondContact O-N 3.28Å; I237-W241 VanDerWaalsContact O-CD1 3.28Å; I237-W241 PolarHBondContact O-N 3.04Å; I237-W241 VanDerWaalsContact O-N 3.11Å; I237-K311 HydrophobicContact CD1-CB 3.94Å; I237-V314 HydrophobicContact CB-CG1 4.03Å; I237-V314 HydrophobicContact CD1-CB 4.41Å; I237-V314 HydrophobicContact CD1-CG2 4.28Å; I237-V314 HydrophobicContact CG2-CB 4.07Å; I237-V314 HydrophobicContact CG2-CG1 3.82Å
238T95.8Very high91.2Very high0 Ų051.4 Ų51.40%029%0.286CS..Hα-helixtrans-62.2-46.1-179-57.60000111.4L220 W230 A234 I235 A236 G240 W241 L242 S318 I319L220-T238 HydrophobicContact CD1-CG2 3.76Å; W230-T238 HydrophobicContact CZ3-CG2 4.44Å; A234-T238 VanDerWaalsContact O-CB 3.29Å; A234-T238 WeakPolarHBondContact O-CB 3.21Å; A234-T238 PolarHBondContact O-N 3.2Å; A234-T238 PolarHBondContact O-OG1 2.82Å; I235-T238 PolarHBondContact O-N 2.79Å; A236-T238 PolarHBondContact O-N 2.73Å; T238-G240 VanDerWaalsContact C-N 3.35Å; T238-G240 PolarHBondContact O-N 2.93Å; T238-W241 PolarHBondContact O-N 2.9Å; T238-L242 HydrophobicContact CG2-CD1 4.15Å; T238-L242 WeakPolarHBondContact O-CG 3.17Å; T238-L242 PolarHBondContact O-N 2.74Å; T238-L242 VanDerWaalsContact O-N 3.14Å; T238-S318 WeakPolarHBondContact OG1-CB 3.45Å; T238-S318 PolarHBondContact OG1-OG 3Å; T238-I319 HydrophobicContact CG2-CD1 4.16Å; T238-I319 HydrophobicContact CG2-CG1 4.13Å
239K95.5Very high91.7Very high103 Ų10354.9 Ų54.945%0.44830%0.295SS..Hα-helixtrans-62.6-40.3176.3-73.8-178.2177-178.20112.3W224 I235 A236 I237 W241 L242 N243W224-K239 HydrophobicContact CH2-CG 4.08Å; W224-K239 HydrophobicContact CZ3-CG 4.44Å; I235-K239 HydrophobicContact CG2-CD 3.99Å; I235-K239 HydrophobicContact CG2-CG 4.4Å; I235-K239 WeakPolarHBondContact O-CB 3.43Å; I235-K239 WeakPolarHBondContact O-CG 3.43Å; I235-K239 PolarHBondContact O-N 2.84Å; A236-K239 PolarHBondContact O-N 3.08Å; I237-K239 PolarHBondContact O-N 3.23Å; K239-W241 PolarHBondContact O-N 2.89Å; K239-L242 PolarHBondContact O-N 2.83Å; K239-N243 WeakPolarHBondContact O-CB 3.27Å; K239-N243 PolarHBondContact O-N 3.23Å; K239-N243 PolarHBondContact O-ND2 2.8Å; K239-N243 PolarHBondContact O-OD1 3.45Å
240G94.2Very high92.5Very high30 Ų3053.6 Ų53.631%0.30929%0.288SS..Hα-helixtrans-55.6-50.1175.400000112A236 I237 T238 L242 N243 D244A236-G240 PolarHBondContact O-N 2.72Å; I237-G240 PolarHBondContact O-N 3.28Å; T238-G240 VanDerWaalsContact C-N 3.35Å; T238-G240 PolarHBondContact O-N 2.93Å; G240-L242 PolarHBondContact O-N 2.88Å; G240-N243 PolarHBondContact O-N 3.4Å; G240-D244 PolarHBondContact O-N 3.01Å; G240-D244 VanDerWaalsContact O-N 3.12Å
241W92.1Very high92.8Very high87 Ų8753.3 Ų53.333%0.3329%0.287SS..Hα-helixtrans-62.7-37.1178-83.4102.7000114.2I237 T238 K239 L246 L315 I319I237-W241 VanDerWaalsContact O-CD1 3.28Å; I237-W241 PolarHBondContact O-N 3.04Å; I237-W241 VanDerWaalsContact O-N 3.11Å; T238-W241 PolarHBondContact O-N 2.9Å; K239-W241 PolarHBondContact O-N 2.89Å; W241-L246 HydrophobicContact CB-CD2 4.47Å; W241-L315 HydrophobicContact CB-CD1 4.37Å; W241-L315 HydrophobicContact CD2-CD1 3.74Å; W241-L315 HydrophobicContact CD2-CD2 4.29Å; W241-L315 HydrophobicContact CE3-CD1 4.25Å; W241-L315 HydrophobicContact CG-CD1 3.79Å; W241-L315 HydrophobicContact CH2-CD2 4.08Å; W241-L315 HydrophobicContact CZ2-CD2 3.66Å; W241-I319 HydrophobicContact CB-CD1 3.55Å; W241-I319 HydrophobicContact CG-CD1 4.29Å
242L95.6Very high93.1Very high13 Ų1353 Ų537%0.06829%0.285CS..Hα-helixtrans-71.2-41.2178.3-67.5170000111.6Q213 V216 E217 L220 T238 K239 G240 D244 G245 L246 I319Q213-L242 HydrophobicContact CG-CD2 4.21Å; Q213-L242 PolarHBondContact NE2-O 3.02Å; V216-L242 HydrophobicContact CG1-CD2 4.44Å; E217-L242 HydrophobicContact CG-CD1 4.24Å; E217-L242 HydrophobicContact CG-CD2 4.03Å; L220-L242 HydrophobicContact CD1-CD1 3.75Å; T238-L242 HydrophobicContact CG2-CD1 4.15Å; T238-L242 WeakPolarHBondContact O-CG 3.17Å; T238-L242 PolarHBondContact O-N 2.74Å; T238-L242 VanDerWaalsContact O-N 3.14Å; K239-L242 PolarHBondContact O-N 2.83Å; G240-L242 PolarHBondContact O-N 2.88Å; L242-D244 VanDerWaalsContact C-N 3.31Å; L242-D244 PolarHBondContact O-N 3.05Å; L242-G245 PolarHBondContact O-N 3.14Å; L242-G245 VanDerWaalsContact O-N 3.11Å; L242-L246 HydrophobicContact CD2-CD1 4.1Å; L242-L246 HydrophobicContact CD2-CD2 4.4Å; L242-L246 HydrophobicContact CD2-CG 4.26Å; L242-I319 HydrophobicContact CD2-CD1 4.41Å; L242-I319 HydrophobicContact CG-CD1 4.35Å
243N95.9Very high93.2Very high136 Ų13652.3 Ų52.373%0.72727%0.272SS*.Hα-helixtrans-63.2-36.4177.8-69.9-12.4000112.4K239 G240 G245K239-N243 WeakPolarHBondContact O-CB 3.27Å; K239-N243 PolarHBondContact O-N 3.23Å; K239-N243 PolarHBondContact O-ND2 2.8Å; K239-N243 PolarHBondContact O-OD1 3.45Å; G240-N243 PolarHBondContact O-N 3.4Å; N243-G245 PolarHBondContact O-N 3.32Å
244D89.8Confident93.3Very high133 Ų13352.9 Ų52.971%0.71127%0.274SS*.THydrogen-bonded Turntrans-70-16176.6-73.2-9.8000113.3G240 L242G240-D244 PolarHBondContact O-N 3.01Å; G240-D244 VanDerWaalsContact O-N 3.12Å; L242-D244 VanDerWaalsContact C-N 3.31Å; L242-D244 PolarHBondContact O-N 3.05Å
245G94.3Very high93.1Very high29 Ų2953.8 Ų53.830%0.29928%0.279SS..  trans81.3124.2-173.500000112.5L242 N243L242-G245 PolarHBondContact O-N 3.14Å; L242-G245 VanDerWaalsContact O-N 3.11Å; N243-G245 PolarHBondContact O-N 3.32Å
246L93.5Very high92.8Very high12 Ų1258.3 Ų58.36%0.06330%0.297CS..  trans-70.9138179.6-58.1-174.4000110.8L209 A210 Q213 W241 L242 I319L209-L246 HydrophobicContact CB-CB 3.85Å; L209-L246 HydrophobicContact CB-CD1 4.25Å; A210-L246 WeakPolarHBondContact CA-O 3.45Å; A210-L246 VanDerWaalsContact CB-O 3.3Å; A210-L246 WeakPolarHBondContact CB-O 3.13Å; Q213-L246 HydrophobicContact CB-CB 4.36Å; Q213-L246 HydrophobicContact CB-CD1 3.93Å; Q213-L246 HydrophobicContact CB-CG 4.2Å; Q213-L246 HydrophobicContact CG-CD1 4.21Å; Q213-L246 HydrophobicContact CG-CG 4.23Å; W241-L246 HydrophobicContact CB-CD2 4.47Å; L242-L246 HydrophobicContact CD2-CD1 4.1Å; L242-L246 HydrophobicContact CD2-CD2 4.4Å; L242-L246 HydrophobicContact CD2-CG 4.26Å; L246-I319 HydrophobicContact CD1-CG2 3.53Å; L246-I319 HydrophobicContact CD2-CD1 4.25Å; L246-I319 HydrophobicContact CD2-CG2 4.01Å; L246-I319 HydrophobicContact CG-CG2 4.45Å
247K90.4Very high92.8Very high139 Ų13957.6 Ų57.660%0.60428%0.281SS*.  trans-112.1156.9179.5-61.8179.5-176.5176.80110.3
248E93.3Very high93Very high59 Ų5955.7 Ų55.728%0.27627%0.274SS..  trans-53.8140.9170.7-58.6-179.2-13800111.3S135 K137 F206 L207S135-E248 PolarHBondContact OG-OE2 3.45Å; K137-E248 WeakPolarHBondContact CE-OE2 3.19Å; K137-E248 IonicContact NZ-OE1 3.23Å; K137-E248 PolarHBondContact NZ-OE1 3.35Å; K137-E248 IonicContact NZ-OE2 3.01Å; K137-E248 PolarHBondContact NZ-OE2 2.86Å; F206-E248 HydrophobicContact CB-CB 4.27Å; F206-E248 HydrophobicContact CD1-CB 4.27Å; L207-E248 WeakPolarHBondContact O-CA 3.06Å
249R90.4Very high93.1Very high94 Ų9455.7 Ų55.736%0.35527%0.274SS..EExtended strand (participates in β ladder)trans-124.9126.7-179.5-67.1-63-177.7-134.97.2110.9F206 L207 L209 I251F206-R249 CarbonylContact C-O 3.55Å; F206-R249 WeakPolarHBondContact CA-O 3.25Å; L207-R249 PolarHBondContact N-O 2.99Å; L207-R249 PolarHBondContact O-N 2.87Å; L209-R249 HydrophobicContact CD1-CB 4.37Å; L209-R249 HydrophobicContact CD1-CG 3.55Å; L209-R249 HydrophobicContact CG-CG 4.38Å; R249-I251 PolarHBondContact O-N 3.23Å
250C93.5Very high93.3Very high26 Ų2653.5 Ų53.518%0.17627%0.27CS..EExtended strand (participates in β ladder)trans-66.3119.7176.7-179.30000110.7L205 F206 T252 R253L205-C250 WeakPolarHBondContact O-CA 3.31Å; F206-C250 HydrophobicContact CD1-CB 3.86Å; F206-C250 VanDerWaalsContact CD1-N 3.34Å; F206-C250 HydrophobicContact CE1-CB 3.56Å; F206-C250 HydrophobicContact CE2-CB 4.4Å; F206-C250 HydrophobicContact CG-CB 4.4Å; F206-C250 HydrophobicContact CZ-CB 3.85Å; C250-T252 PolarHBondContact SG-O 3.42Å; C250-R253 PolarHBondContact O-NH1 3.13Å; C250-R253 VanDerWaalsContact O-NH1 3.13Å; C250-R253 PolarHBondContact SG-NH1 3.08Å
251I95.7Very high93.4Very high6 Ų652.5 Ų52.53%0.03126%0.258CS..  trans-104.37.7-177.761.3170.3000113.2F125 T134 L205 L207 R249 F271 Y272 F275F125-I251 HydrophobicContact CD2-CD1 4.24Å; F125-I251 HydrophobicContact CE2-CD1 4.23Å; T134-I251 HydrophobicContact CG2-CD1 4.49Å; L205-I251 HydrophobicContact CB-CD1 4.29Å; L205-I251 HydrophobicContact CB-CG1 3.9Å; L205-I251 WeakPolarHBondContact O-CG1 3.38Å; L205-I251 PolarHBondContact O-N 3.11Å; L207-I251 HydrophobicContact CB-CG2 3.64Å; R249-I251 PolarHBondContact O-N 3.23Å; I251-F271 HydrophobicContact CD1-CE1 4.43Å; I251-F271 CarbonylContact O-C 3.52Å; I251-F271 WeakPolarHBondContact O-CA 3.44Å; I251-F271 WeakPolarHBondContact O-CD1 3.41Å; I251-Y272 PolarHBondContact O-N 2.96Å; I251-F275 HydrophobicContact CB-CB 4Å; I251-F275 HydrophobicContact CB-CD1 4.44Å; I251-F275 HydrophobicContact CB-CD2 4.2Å; I251-F275 HydrophobicContact CB-CG 3.95Å; I251-F275 HydrophobicContact CD1-CD2 4.5Å; I251-F275 HydrophobicContact CD1-CE2 4.38Å; I251-F275 HydrophobicContact CD1-CZ 4.47Å; I251-F275 HydrophobicContact CG2-CB 3.9Å; I251-F275 HydrophobicContact CG2-CD2 3.76Å; I251-F275 HydrophobicContact CG2-CG 3.92Å
252T96Very high93.7Very high0 Ų050.4 Ų50.40%026%0.256CS..EExtended strand (participates in β ladder)trans-124.4152.7178.647.50000111.8H204 L205 C250 V261 F266 V270H204-T252 WeakPolarHBondContact CA-OG1 3.47Å; H204-T252 PolarHBondContact ND1-O 3.47Å; H204-T252 PolarHBondContact ND1-OG1 2.91Å; L205-T252 HydrophobicContact CB-CG2 3.8Å; L205-T252 HydrophobicContact CD1-CG2 3.83Å; L205-T252 HydrophobicContact CG-CG2 4.07Å; L205-T252 PolarHBondContact N-OG1 3.44Å; C250-T252 PolarHBondContact SG-O 3.42Å; T252-V261 HydrophobicContact CG2-CG2 3.76Å; T252-F266 HydrophobicContact CG2-CD1 4.34Å; T252-V270 CarbonylContact C-O 3.59Å; T252-V270 WeakPolarHBondContact CA-O 3.11Å
253R90.9Very high93.7Very high59 Ų5951.4 Ų51.422%0.22326%0.261CS..EExtended strand (participates in β ladder)trans-140.4147.7176.1-67.5-63.4-178.3-82.12.6111.1C250 L255 V270 Y272C250-R253 PolarHBondContact O-NH1 3.13Å; C250-R253 VanDerWaalsContact O-NH1 3.13Å; C250-R253 PolarHBondContact SG-NH1 3.08Å; R253-L255 HydrophobicContact CB-CD1 3.9Å; R253-L255 HydrophobicContact CB-CG 3.93Å; R253-L255 HydrophobicContact CG-CD1 4.44Å; R253-L255 PolarHBondContact O-N 3.11Å; R253-V270 HydrophobicContact CB-CG2 4.49Å; R253-V270 PolarHBondContact N-O 2.89Å; R253-V270 PolarHBondContact O-N 3.29Å; R253-V270 VanDerWaalsContact O-N 3.08Å; R253-Y272 HydrophobicContact CG-CD2 3.57Å; R253-Y272 HydrophobicContact CG-CE2 4.39Å; R253-Y272 HydrophobicContact CG-CG 4.08Å; R253-Y272 VanDerWaalsContact CZ-CD2 3.43Å; R253-Y272 VanDerWaalsContact CZ-CG 3.43Å; R253-Y272 VanDerWaalsContact NH2-CD1 3.32Å
254D90.6Very high93.6Very high28 Ų2853.9 Ų53.915%0.1527%0.268CS..SBendtrans-79.664.6171.8-68.4-72.7000111.1Q141 F150 S202 H204 K269Q141-D254 PolarHBondContact OE1-OD2 2.82Å; F150-D254 HydrophobicContact CB-CB 3.79Å; F150-D254 HydrophobicContact CD2-CB 3.56Å; F150-D254 VanDerWaalsContact CD2-CG 3.43Å; F150-D254 HydrophobicContact CE2-CB 4.47Å; F150-D254 HydrophobicContact CG-CB 3.97Å; S202-D254 PolarHBondContact OG-OD1 2.92Å; S202-D254 PolarHBondContact OG-OD2 3.05Å; H204-D254 IonicContact CE1-OD2 3.34Å; H204-D254 PolarHBondContact CE1-OD2 3.35Å; H204-D254 IonicContact NE2-OD2 3.68Å; H204-D254 PolarHBondContact NE2-OD2 3.44Å; H204-D254 VanDerWaalsContact NE2-OD2 3.12Å; D254-K269 WeakPolarHBondContact OD1-CE 3.21Å; D254-K269 IonicContact OD1-NZ 3.01Å; D254-K269 PolarHBondContact OD1-NZ 2.98Å; D254-K269 IonicContact OD2-NZ 3.39Å; D254-K269 PolarHBondContact OD2-NZ 2.68Å
255L88.5Confident93.7Very high19 Ų1953.4 Ų53.410%0.09926%0.262CS..  trans-123.9160.2177.5-58.1170.4000109.8T71 R253 V270T71-L255 HydrophobicContact CG2-CD2 4.26Å; T71-L255 WeakPolarHBondContact OG1-CD1 3.5Å; R253-L255 HydrophobicContact CB-CD1 3.9Å; R253-L255 HydrophobicContact CB-CG 3.93Å; R253-L255 HydrophobicContact CG-CD1 4.44Å; R253-L255 PolarHBondContact O-N 3.11Å; L255-V270 HydrophobicContact CB-CG2 3.69Å; L255-V270 WeakPolarHBondContact O-CG1 3.49Å
256K88.2Confident93.7Very high140 Ų14052 Ų5261%0.60925%0.248SC*.SBendtrans-95.8-29.5172.6-65.5-60.2-174.5-1720111.3E74 D268E74-K256 PolarHBondContact OE1-N 2.86Å; K256-D268 IonicContact NZ-OD1 2.74Å; K256-D268 PolarHBondContact NZ-OD1 2.69Å
257W93.7Very high93.6Very high47 Ų4755 Ų5518%0.17827%0.274CS..SBendtrans-94.295.1178.7-170.1-114.2000112.7E68 Y69 G70 E74 P84 L85E68-W257 PolarHBondContact O-NE1 3.26Å; Y69-W257 AromaticContact CD1-CD1 3.87Å; Y69-W257 HydrophobicContact CD1-CD2 4.13Å; Y69-W257 AromaticContact CD1-CE2 3.84Å; Y69-W257 HydrophobicContact CD1-CG 4.16Å; Y69-W257 HydrophobicContact CD1-CZ2 4.41Å; Y69-W257 AromaticContact CD1-NE1 3.65Å; Y69-W257 HydrophobicContact CE1-CD2 4.23Å; Y69-W257 AromaticContact CE1-CE2 4Å; Y69-W257 HydrophobicContact CE1-CZ2 4.2Å; G70-W257 PolarHBondContact N-O 3.03Å; E74-W257 HydrophobicContact CG-CB 3.63Å; E74-W257 WeakPolarHBondContact OE1-CB 3.22Å; E74-W257 PolarHBondContact OE1-N 3.08Å; P84-W257 HydrophobicContact CB-CB 4.13Å; P84-W257 HydrophobicContact CB-CD2 3.36Å; P84-W257 HydrophobicContact CB-CE3 3.77Å; P84-W257 HydrophobicContact CB-CG 3.51Å; P84-W257 HydrophobicContact CB-CZ2 4.24Å; P84-W257 HydrophobicContact CB-CZ3 4.36Å; P84-W257 HydrophobicContact CG-CB 4.2Å; P84-W257 HydrophobicContact CG-CD2 4.23Å; P84-W257 HydrophobicContact CG-CE3 4.45Å; P84-W257 HydrophobicContact CG-CG 4.11Å; L85-W257 HydrophobicContact CB-CH2 3.81Å; L85-W257 HydrophobicContact CB-CZ3 4.27Å; L85-W257 HydrophobicContact CD1-CH2 4.1Å
258G95.9Very high93.7Very high10 Ų1054.1 Ų54.110%0.10328%0.276CS..SBendtrans178.4175179.600000112.1
259T98Very high93.7Very high0 Ų052.2 Ų52.20%027%0.266CS..PPolyproline II helixtrans-69.4123.7172.6-58.90000110.2Y69 T118 V121 V270 F271 D276Y69-T259 WeakPolarHBondContact CE2-OG1 3.14Å; T118-T259 HydrophobicContact CG2-CG2 4.21Å; V121-T259 HydrophobicContact CB-CG2 3.96Å; V121-T259 HydrophobicContact CG1-CG2 3.85Å; V121-T259 HydrophobicContact CG2-CG2 4.49Å; T259-V270 CarbonylContact O-C 3.49Å; T259-V270 VanDerWaalsContact O-CA 3.24Å; T259-V270 WeakPolarHBondContact O-CA 3.23Å; T259-V270 WeakPolarHBondContact O-CB 3.34Å; T259-F271 HydrophobicContact CG2-CD2 3.91Å; T259-F271 HydrophobicContact CG2-CE2 4.5Å; T259-F271 WeakPolarHBondContact O-CD2 3.46Å; T259-F271 PolarHBondContact O-N 3.38Å; T259-D276 WeakPolarHBondContact CB-OD2 3.29Å; T259-D276 PolarHBondContact OG1-OD2 2.9Å
260P97.9Very high94Very high56 Ų5648.1 Ų48.136%0.36425%0.252SS..BIsolated β-bridgetrans-68.8145.2-176.626.6-34000112.7T118 Q122T118-P260 HydrophobicContact CG2-CG 3.96Å; Q122-P260 PolarHBondContact NE2-O 3.22Å
261V98.1Very high94.2Very high9 Ų947 Ų476%0.05524%0.244CC..PPolyproline II helixtrans-82.2128.4177.9-175.50000110L205 T252 L263 F266 K269 F271L205-V261 HydrophobicContact CD1-CG1 3.75Å; T252-V261 HydrophobicContact CG2-CG2 3.76Å; V261-L263 HydrophobicContact CG1-CB 4.32Å; V261-L263 HydrophobicContact CG1-CG 4.43Å; V261-L263 PolarHBondContact O-N 3.4Å; V261-F266 HydrophobicContact CB-CB 3.8Å; V261-F266 HydrophobicContact CG1-CB 3.63Å; V261-F266 HydrophobicContact CG1-CG 4.16Å; V261-F266 HydrophobicContact CG2-CB 4.41Å; V261-K269 HydrophobicContact CG2-CB 4.47Å; V261-K269 PolarHBondContact N-O 2.99Å; V261-F271 HydrophobicContact CB-CZ 4.36Å; V261-F271 HydrophobicContact CG1-CE1 4.38Å; V261-F271 HydrophobicContact CG1-CZ 4.12Å; V261-F271 HydrophobicContact CG2-CD1 4.26Å; V261-F271 HydrophobicContact CG2-CD2 4.42Å; V261-F271 HydrophobicContact CG2-CE1 4.16Å; V261-F271 HydrophobicContact CG2-CE2 4.34Å; V261-F271 HydrophobicContact CG2-CG 4.38Å; V261-F271 HydrophobicContact CG2-CZ 4.2Å
262P97.1Very high94.1Very high44 Ų4450.1 Ų50.129%0.28626%0.256SS..SBendtrans-85.741.6-173.737.3-36.6000112.5Q122 F125 N126Q122-P262 HydrophobicContact CB-CB 4.4Å; Q122-P262 HydrophobicContact CB-CG 4.07Å; Q122-P262 HydrophobicContact CG-CB 4.09Å; Q122-P262 HydrophobicContact CG-CG 3.89Å; F125-P262 HydrophobicContact CD1-CG 3.53Å; F125-P262 HydrophobicContact CE1-CG 3.82Å; N126-P262 WeakPolarHBondContact OD1-CG 3.42Å
263L96.3Very high93.9Very high33 Ų3350.6 Ų50.617%0.17326%0.259CS..SBendtrans-128.6132.8176.2-65.3-177.9000109.1F125 L205 V261 Q265 F266 A267F125-L263 HydrophobicContact CE1-CD1 4.13Å; F125-L263 HydrophobicContact CE1-CD2 4.5Å; F125-L263 HydrophobicContact CE1-CG 4Å; F125-L263 HydrophobicContact CZ-CD1 3.82Å; F125-L263 HydrophobicContact CZ-CG 4.21Å; L205-L263 HydrophobicContact CD1-CD1 4.07Å; L205-L263 HydrophobicContact CD2-CD1 4.31Å; V261-L263 HydrophobicContact CG1-CB 4.32Å; V261-L263 HydrophobicContact CG1-CG 4.43Å; V261-L263 PolarHBondContact O-N 3.4Å; L263-Q265 VanDerWaalsContact C-N 3.31Å; L263-Q265 HydrophobicContact CB-CG 4.48Å; L263-Q265 PolarHBondContact O-N 3.42Å; L263-F266 HydrophobicContact CB-CB 4.35Å; L263-F266 HydrophobicContact CB-CD2 3.92Å; L263-F266 HydrophobicContact CD1-CD2 3.98Å; L263-F266 HydrophobicContact CD1-CE2 4.35Å; L263-F266 CarbonylContact O-C 3.42Å; L263-F266 WeakPolarHBondContact O-CA 3.42Å; L263-F266 PolarHBondContact O-N 2.96Å; L263-A267 PolarHBondContact O-N 3.14Å
264E93.5Very high93.5Very high188 Ų18850.6 Ų50.688%0.87926%0.259SS*.G310 helixtrans-56.2-44.1-174.5-171.3172.3-170.700112.6F266 A267E264-F266 PolarHBondContact O-N 3.37Å; E264-F266 VanDerWaalsContact O-N 3.1Å; E264-A267 WeakPolarHBondContact O-CB 3.34Å; E264-A267 PolarHBondContact O-N 3.26Å; E264-A267 VanDerWaalsContact O-N 3.17Å
265Q92.1Very high93.6Very high123 Ų12349.4 Ų49.458%0.57525%0.253SS*.G310 helixtrans-64.8-12.3176.372.2-150.6-0.600114.3L263L263-Q265 VanDerWaalsContact C-N 3.31Å; L263-Q265 HydrophobicContact CB-CG 4.48Å; L263-Q265 PolarHBondContact O-N 3.42Å
266F94.8Very high94Very high1 Ų148.6 Ų48.60%0.00425%0.248CC..G310 helixtrans-11617.8178.6-68.3-88.1000112.7T136 E203 L205 T252 V261 L263 E264 D268 K269T136-F266 HydrophobicContact CG2-CZ 4.03Å; E203-F266 HydrophobicContact CB-CE1 4.37Å; E203-F266 HydrophobicContact CB-CZ 4.31Å; E203-F266 WeakPolarHBondContact O-CE1 3.43Å; L205-F266 HydrophobicContact CD1-CD1 4.38Å; L205-F266 HydrophobicContact CD1-CD2 4.08Å; L205-F266 HydrophobicContact CD1-CE1 4.48Å; L205-F266 HydrophobicContact CD1-CE2 4.13Å; L205-F266 HydrophobicContact CD1-CG 4.28Å; L205-F266 HydrophobicContact CD1-CZ 4.39Å; L205-F266 HydrophobicContact CD2-CD2 4.4Å; L205-F266 HydrophobicContact CD2-CE2 3.66Å; L205-F266 HydrophobicContact CD2-CZ 3.82Å; L205-F266 HydrophobicContact CG-CD1 4.23Å; L205-F266 HydrophobicContact CG-CD2 4.15Å; L205-F266 HydrophobicContact CG-CE1 3.85Å; L205-F266 HydrophobicContact CG-CE2 3.69Å; L205-F266 HydrophobicContact CG-CG 4.45Å; L205-F266 HydrophobicContact CG-CZ 3.59Å; T252-F266 HydrophobicContact CG2-CD1 4.34Å; V261-F266 HydrophobicContact CB-CB 3.8Å; V261-F266 HydrophobicContact CG1-CB 3.63Å; V261-F266 HydrophobicContact CG1-CG 4.16Å; V261-F266 HydrophobicContact CG2-CB 4.41Å; L263-F266 HydrophobicContact CB-CB 4.35Å; L263-F266 HydrophobicContact CB-CD2 3.92Å; L263-F266 HydrophobicContact CD1-CD2 3.98Å; L263-F266 HydrophobicContact CD1-CE2 4.35Å; L263-F266 CarbonylContact O-C 3.42Å; L263-F266 WeakPolarHBondContact O-CA 3.42Å; L263-F266 PolarHBondContact O-N 2.96Å; E264-F266 PolarHBondContact O-N 3.37Å; E264-F266 VanDerWaalsContact O-N 3.1Å; F266-D268 PolarHBondContact O-N 3.46Å; F266-D268 VanDerWaalsContact O-N 3.1Å; F266-K269 HydrophobicContact CB-CB 4.47Å; F266-K269 HydrophobicContact CB-CD 4.4Å; F266-K269 HydrophobicContact CD1-CD 3.41Å; F266-K269 VanDerWaalsContact CD1-CD 3.41Å; F266-K269 HydrophobicContact CE1-CD 4.05Å; F266-K269 HydrophobicContact CG-CD 4.33Å; F266-K269 WeakPolarHBondContact O-CB 3.47Å; F266-K269 PolarHBondContact O-N 3.07Å
267A91.6Very high94.4Very high75 Ų7542.5 Ų42.562%0.6222%0.224SC*.THydrogen-bonded Turntrans-57.2-29.2-173.500000114.7L263 E264 K269L263-A267 PolarHBondContact O-N 3.14Å; E264-A267 WeakPolarHBondContact O-CB 3.34Å; E264-A267 PolarHBondContact O-N 3.26Å; E264-A267 VanDerWaalsContact O-N 3.17Å; A267-K269 VanDerWaalsContact C-N 3.35Å
268D91Very high94.5Very high119 Ų11940.7 Ų40.764%0.63622%0.218SC*.THydrogen-bonded Turntrans-90.66.9178.3-83.8-53.1000114.5K256 F266K256-D268 IonicContact NZ-OD1 2.74Å; K256-D268 PolarHBondContact NZ-OD1 2.69Å; F266-D268 PolarHBondContact O-N 3.46Å; F266-D268 VanDerWaalsContact O-N 3.1Å
269K94.7Very high94.6Very high19 Ų1940.2 Ų40.28%0.08321%0.213CC..  trans-118.4157.5-174.5-68.1163.5-176.7-76.80111.6S202 E203 D254 V261 F266 A267S202-K269 PolarHBondContact OG-NZ 3.07Å; E203-K269 WeakPolarHBondContact O-CE 3.2Å; E203-K269 PolarHBondContact O-NZ 3.3Å; D254-K269 WeakPolarHBondContact OD1-CE 3.21Å; D254-K269 IonicContact OD1-NZ 3.01Å; D254-K269 PolarHBondContact OD1-NZ 2.98Å; D254-K269 IonicContact OD2-NZ 3.39Å; D254-K269 PolarHBondContact OD2-NZ 2.68Å; V261-K269 HydrophobicContact CG2-CB 4.47Å; V261-K269 PolarHBondContact N-O 2.99Å; F266-K269 HydrophobicContact CB-CB 4.47Å; F266-K269 HydrophobicContact CB-CD 4.4Å; F266-K269 HydrophobicContact CD1-CD 3.41Å; F266-K269 VanDerWaalsContact CD1-CD 3.41Å; F266-K269 HydrophobicContact CE1-CD 4.05Å; F266-K269 HydrophobicContact CG-CD 4.33Å; F266-K269 WeakPolarHBondContact O-CB 3.47Å; F266-K269 PolarHBondContact O-N 3.07Å; A267-K269 VanDerWaalsContact C-N 3.35Å
270V96.9Very high94.7Very high8 Ų840.2 Ų40.25%0.04821%0.213CC..EExtended strand (participates in β ladder)trans-120.6160.6175.5-60.80000110.6T252 R253 L255 T259T252-V270 CarbonylContact C-O 3.59Å; T252-V270 WeakPolarHBondContact CA-O 3.11Å; R253-V270 HydrophobicContact CB-CG2 4.49Å; R253-V270 PolarHBondContact N-O 2.89Å; R253-V270 PolarHBondContact O-N 3.29Å; R253-V270 VanDerWaalsContact O-N 3.08Å; L255-V270 HydrophobicContact CB-CG2 3.69Å; L255-V270 WeakPolarHBondContact O-CG1 3.49Å; T259-V270 CarbonylContact O-C 3.49Å; T259-V270 VanDerWaalsContact O-CA 3.24Å; T259-V270 WeakPolarHBondContact O-CA 3.23Å; T259-V270 WeakPolarHBondContact O-CB 3.34Å
271F97.4Very high94.7Very high4 Ų437.8 Ų37.82%0.01820%0.197CC..EExtended strand (participates in β ladder)trans-63.7143.8168.6-72.5-65.3000110.9V121 Q122 F125 I251 T259 V261 F275 D276V121-F271 HydrophobicContact CG1-CD2 3.58Å; V121-F271 HydrophobicContact CG1-CE2 3.84Å; V121-F271 HydrophobicContact CG1-CG 4.22Å; Q122-F271 HydrophobicContact CG-CE2 4.5Å; F125-F271 HydrophobicContact CB-CE1 4.27Å; F125-F271 HydrophobicContact CB-CE2 4.46Å; F125-F271 HydrophobicContact CB-CZ 3.72Å; F125-F271 HydrophobicContact CD1-CE1 4.5Å; F125-F271 AromaticContact CD1-CZ 3.81Å; F125-F271 HydrophobicContact CD1-CZ 3.81Å; F125-F271 AromaticContact CD2-CE1 3.55Å; F125-F271 HydrophobicContact CD2-CE1 3.55Å; F125-F271 AromaticContact CD2-CZ 3.66Å; F125-F271 HydrophobicContact CD2-CZ 3.66Å; F125-F271 HydrophobicContact CE1-CZ 4.37Å; F125-F271 HydrophobicContact CE2-CE1 4.01Å; F125-F271 HydrophobicContact CE2-CZ 4.24Å; F125-F271 AromaticContact CG-CE1 3.83Å; F125-F271 HydrophobicContact CG-CE1 3.83Å; F125-F271 HydrophobicContact CG-CE2 4.48Å; F125-F271 AromaticContact CG-CZ 3.4Å; F125-F271 HydrophobicContact CG-CZ 3.4Å; F125-F271 VanDerWaalsContact CG-CZ 3.4Å; I251-F271 HydrophobicContact CD1-CE1 4.43Å; I251-F271 CarbonylContact O-C 3.52Å; I251-F271 WeakPolarHBondContact O-CA 3.44Å; I251-F271 WeakPolarHBondContact O-CD1 3.41Å; T259-F271 HydrophobicContact CG2-CD2 3.91Å; T259-F271 HydrophobicContact CG2-CE2 4.5Å; T259-F271 WeakPolarHBondContact O-CD2 3.46Å; T259-F271 PolarHBondContact O-N 3.38Å; V261-F271 HydrophobicContact CB-CZ 4.36Å; V261-F271 HydrophobicContact CG1-CE1 4.38Å; V261-F271 HydrophobicContact CG1-CZ 4.12Å; V261-F271 HydrophobicContact CG2-CD1 4.26Å; V261-F271 HydrophobicContact CG2-CD2 4.42Å; V261-F271 HydrophobicContact CG2-CE1 4.16Å; V261-F271 HydrophobicContact CG2-CE2 4.34Å; V261-F271 HydrophobicContact CG2-CG 4.38Å; V261-F271 HydrophobicContact CG2-CZ 4.2Å; F271-F275 HydrophobicContact CB-CD1 4.03Å; F271-F275 AromaticContact CD1-CD1 3.57Å; F271-F275 HydrophobicContact CD1-CD1 3.57Å; F271-F275 AromaticContact CD1-CE1 3.6Å; F271-F275 HydrophobicContact CD1-CE1 3.6Å; F271-F275 HydrophobicContact CE1-CD1 4.26Å; F271-F275 AromaticContact CE1-CE1 3.83Å; F271-F275 HydrophobicContact CE1-CE1 3.83Å; F271-F275 AromaticContact CG-CD1 3.87Å; F271-F275 HydrophobicContact CG-CD1 3.87Å; F271-F275 HydrophobicContact CG-CE1 4.02Å; F271-F275 HydrophobicContact CZ-CE1 4.41Å; F271-D276 HydrophobicContact CB-CB 4.47Å
272Y93.2Very high94.7Very high71 Ų7137.3 Ų37.328%0.27819%0.194SC..  trans-68.9132.9172.2-176.7-142.9000109.5I251 R253 W274 F275 D276I251-Y272 PolarHBondContact O-N 2.96Å; R253-Y272 HydrophobicContact CG-CD2 3.57Å; R253-Y272 HydrophobicContact CG-CE2 4.39Å; R253-Y272 HydrophobicContact CG-CG 4.08Å; R253-Y272 VanDerWaalsContact CZ-CD2 3.43Å; R253-Y272 VanDerWaalsContact CZ-CG 3.43Å; R253-Y272 VanDerWaalsContact NH2-CD1 3.32Å; Y272-W274 HydrophobicContact CD1-CB 3.89Å; Y272-W274 HydrophobicContact CD1-CG 4.49Å; Y272-W274 HydrophobicContact CE1-CB 3.68Å; Y272-W274 AromaticContact CE1-CD1 3.46Å; Y272-W274 VanDerWaalsContact CE1-CD1 3.46Å; Y272-W274 AromaticContact CE1-CG 3.86Å; Y272-W274 HydrophobicContact CE1-CG 3.86Å; Y272-W274 AromaticContact CE2-CD1 3.68Å; Y272-W274 AromaticContact CZ-CD1 3.13Å; Y272-W274 AromaticContact CZ-CG 4Å; Y272-W274 AromaticContact CZ-NE1 3.93Å; Y272-W274 PolarHBondContact O-N 3.29Å; Y272-W274 PolarHBondContact OH-NE1 3.22Å; Y272-F275 WeakPolarHBondContact O-CA 3.44Å; Y272-F275 WeakPolarHBondContact O-CB 3.34Å; Y272-F275 PolarHBondContact O-N 2.93Å; Y272-D276 PolarHBondContact O-N 2.73Å
273V90.6Very high94.8Very high10 Ų1035.2 Ų35.26%0.06118%0.181CC..Hα-helixtrans-51.3-37.3-176.268.80000113.5D67 F275 D276 A277D67-V273 VanDerWaalsContact OD1-CG2 3.26Å; D67-V273 WeakPolarHBondContact OD1-CG2 3.39Å; D67-V273 VanDerWaalsContact OD2-CG2 3.26Å; D67-V273 WeakPolarHBondContact OD2-CG2 3.36Å; V273-F275 PolarHBondContact O-N 3.27Å; V273-D276 VanDerWaalsContact CA-OD1 3.32Å; V273-D276 WeakPolarHBondContact CA-OD1 3.49Å; V273-D276 PolarHBondContact O-N 2.73Å; V273-A277 HydrophobicContact CG2-CB 4.18Å; V273-A277 WeakPolarHBondContact O-CB 3.45Å; V273-A277 PolarHBondContact O-N 3.39Å
274W83.3Confident94.9Very high58 Ų5833.7 Ų33.722%0.2217%0.172CC..Hα-helixtrans-71.6-12.7179.7-68.790.4000114.6Y29 Y272 F316Y29-W274 VanDerWaalsContact OH-CE2 3.29Å; Y29-W274 WeakPolarHBondContact OH-CZ2 3.14Å; Y272-W274 HydrophobicContact CD1-CB 3.89Å; Y272-W274 HydrophobicContact CD1-CG 4.49Å; Y272-W274 HydrophobicContact CE1-CB 3.68Å; Y272-W274 AromaticContact CE1-CD1 3.46Å; Y272-W274 VanDerWaalsContact CE1-CD1 3.46Å; Y272-W274 AromaticContact CE1-CG 3.86Å; Y272-W274 HydrophobicContact CE1-CG 3.86Å; Y272-W274 AromaticContact CE2-CD1 3.68Å; Y272-W274 AromaticContact CZ-CD1 3.13Å; Y272-W274 AromaticContact CZ-CG 4Å; Y272-W274 AromaticContact CZ-NE1 3.93Å; Y272-W274 PolarHBondContact O-N 3.29Å; Y272-W274 PolarHBondContact OH-NE1 3.22Å; W274-F316 HydrophobicContact CB-CD1 4.1Å; W274-F316 HydrophobicContact CB-CE1 3.68Å; W274-F316 HydrophobicContact CB-CZ 4.44Å; W274-F316 HydrophobicContact CD2-CD1 4.11Å; W274-F316 HydrophobicContact CD2-CD2 4.47Å; W274-F316 AromaticContact CD2-CE1 3.52Å; W274-F316 HydrophobicContact CD2-CE1 3.52Å; W274-F316 AromaticContact CD2-CE2 3.94Å; W274-F316 HydrophobicContact CD2-CE2 3.94Å; W274-F316 AromaticContact CD2-CZ 3.41Å; W274-F316 HydrophobicContact CD2-CZ 3.41Å; W274-F316 VanDerWaalsContact CD2-CZ 3.41Å; W274-F316 AromaticContact CE3-CD1 3.42Å; W274-F316 HydrophobicContact CE3-CD1 3.42Å; W274-F316 VanDerWaalsContact CE3-CD1 3.42Å; W274-F316 AromaticContact CE3-CD2 3.39Å; W274-F316 HydrophobicContact CE3-CD2 3.39Å; W274-F316 AromaticContact CE3-CE1 3.24Å; W274-F316 HydrophobicContact CE3-CE1 3.24Å; W274-F316 AromaticContact CE3-CE2 3.21Å; W274-F316 HydrophobicContact CE3-CE2 3.21Å; W274-F316 AromaticContact CE3-CG 3.49Å; W274-F316 HydrophobicContact CE3-CG 3.49Å; W274-F316 VanDerWaalsContact CE3-CG 3.49Å; W274-F316 AromaticContact CE3-CZ 3.12Å; W274-F316 HydrophobicContact CE3-CZ 3.12Å; W274-F316 HydrophobicContact CG-CD1 4.45Å; W274-F316 AromaticContact CG-CE1 3.79Å; W274-F316 HydrophobicContact CG-CE1 3.79Å; W274-F316 HydrophobicContact CG-CZ 4.07Å; W274-F316 HydrophobicContact CH2-CD2 4.14Å; W274-F316 AromaticContact CH2-CE2 3.59Å; W274-F316 HydrophobicContact CH2-CE2 3.59Å; W274-F316 HydrophobicContact CH2-CZ 4Å; W274-F316 HydrophobicContact CZ2-CE2 4.29Å; W274-F316 HydrophobicContact CZ2-CZ 4.28Å; W274-F316 HydrophobicContact CZ3-CD1 4.16Å; W274-F316 AromaticContact CZ3-CD2 3.19Å; W274-F316 HydrophobicContact CZ3-CD2 3.19Å; W274-F316 HydrophobicContact CZ3-CE1 4.02Å; W274-F316 AromaticContact CZ3-CE2 3.01Å; W274-F316 HydrophobicContact CZ3-CE2 3.01Å; W274-F316 AromaticContact CZ3-CG 3.77Å; W274-F316 HydrophobicContact CZ3-CG 3.77Å; W274-F316 AromaticContact CZ3-CZ 3.47Å; W274-F316 HydrophobicContact CZ3-CZ 3.47Å; W274-F316 VanDerWaalsContact CZ3-CZ 3.47Å
275F93Very high95.1Very high4 Ų424.7 Ų24.72%0.01813%0.131CC..Hα-helixtrans-83.9-44.3169.6169.3-106.3000111.3V121 F125 L128 I251 F271 Y272 V273 I279 T324V121-F275 HydrophobicContact CG1-CE1 4.08Å; F125-F275 HydrophobicContact CB-CZ 4.41Å; L128-F275 HydrophobicContact CD2-CE2 4.01Å; L128-F275 HydrophobicContact CD2-CZ 3.99Å; I251-F275 HydrophobicContact CB-CB 4Å; I251-F275 HydrophobicContact CB-CD1 4.44Å; I251-F275 HydrophobicContact CB-CD2 4.2Å; I251-F275 HydrophobicContact CB-CG 3.95Å; I251-F275 HydrophobicContact CD1-CD2 4.5Å; I251-F275 HydrophobicContact CD1-CE2 4.38Å; I251-F275 HydrophobicContact CD1-CZ 4.47Å; I251-F275 HydrophobicContact CG2-CB 3.9Å; I251-F275 HydrophobicContact CG2-CD2 3.76Å; I251-F275 HydrophobicContact CG2-CG 3.92Å; F271-F275 HydrophobicContact CB-CD1 4.03Å; F271-F275 AromaticContact CD1-CD1 3.57Å; F271-F275 HydrophobicContact CD1-CD1 3.57Å; F271-F275 AromaticContact CD1-CE1 3.6Å; F271-F275 HydrophobicContact CD1-CE1 3.6Å; F271-F275 HydrophobicContact CE1-CD1 4.26Å; F271-F275 AromaticContact CE1-CE1 3.83Å; F271-F275 HydrophobicContact CE1-CE1 3.83Å; F271-F275 AromaticContact CG-CD1 3.87Å; F271-F275 HydrophobicContact CG-CD1 3.87Å; F271-F275 HydrophobicContact CG-CE1 4.02Å; F271-F275 HydrophobicContact CZ-CE1 4.41Å; Y272-F275 WeakPolarHBondContact O-CA 3.44Å; Y272-F275 WeakPolarHBondContact O-CB 3.34Å; Y272-F275 PolarHBondContact O-N 2.93Å; V273-F275 PolarHBondContact O-N 3.27Å; F275-I279 HydrophobicContact CE1-CD1 4.4Å; F275-I279 HydrophobicContact CZ-CD1 4.4Å; F275-T324 HydrophobicContact CE2-CG2 3.73Å; F275-T324 HydrophobicContact CZ-CG2 4.33Å
276D96.5Very high95.3Very high1 Ų118.9 Ų18.91%0.00510%0.103CC..Hα-helixtrans-103-13.9-169.881.7-41.6000115.5Q117 V121 T259 F271 Y272 V273 T278 I279 G280Q117-D276 PolarHBondContact NE2-O 3.06Å; Q117-D276 PolarHBondContact NE2-OD2 3.13Å; V121-D276 HydrophobicContact CB-CB 4.48Å; V121-D276 HydrophobicContact CG1-CB 3.82Å; V121-D276 HydrophobicContact CG2-CB 3.74Å; T259-D276 WeakPolarHBondContact CB-OD2 3.29Å; T259-D276 PolarHBondContact OG1-OD2 2.9Å; F271-D276 HydrophobicContact CB-CB 4.47Å; Y272-D276 PolarHBondContact O-N 2.73Å; V273-D276 VanDerWaalsContact CA-OD1 3.32Å; V273-D276 WeakPolarHBondContact CA-OD1 3.49Å; V273-D276 PolarHBondContact O-N 2.73Å; D276-T278 VanDerWaalsContact C-N 3.32Å; D276-T278 PolarHBondContact O-N 3.3Å; D276-I279 WeakPolarHBondContact O-CA 3.43Å; D276-I279 WeakPolarHBondContact O-CB 3.09Å; D276-I279 PolarHBondContact O-N 3.25Å; D276-I279 VanDerWaalsContact O-N 3.08Å; D276-G280 PolarHBondContact O-N 3.39Å; D276-G280 VanDerWaalsContact O-N 3.13Å
277A96Very high95.5Very high13 Ų1321.4 Ų21.411%0.10712%0.117CC..THydrogen-bonded Turntrans-59.5-40.5177.800000112.5L27 D67 V273 I279 G280L27-A277 VanDerWaalsContact CD1-O 3.25Å; L27-A277 WeakPolarHBondContact CD1-O 3.3Å; D67-A277 WeakPolarHBondContact OD2-CB 3.42Å; V273-A277 HydrophobicContact CG2-CB 4.18Å; V273-A277 WeakPolarHBondContact O-CB 3.45Å; V273-A277 PolarHBondContact O-N 3.39Å; A277-I279 VanDerWaalsContact C-N 3.32Å; A277-I279 PolarHBondContact O-N 2.98Å; A277-G280 VanDerWaalsContact O-CA 3.27Å; A277-G280 WeakPolarHBondContact O-CA 3.4Å; A277-G280 PolarHBondContact O-N 3.35Å
278T96.8Very high95.7Very high8 Ų819.4 Ų19.45%0.0499%0.093CC..THydrogen-bonded Turntrans-70.8-27.6176.7520000112.5D276 G280 Y281 F316 F321D276-T278 VanDerWaalsContact C-N 3.32Å; D276-T278 PolarHBondContact O-N 3.3Å; T278-G280 PolarHBondContact O-N 2.93Å; T278-Y281 HydrophobicContact CG2-CE2 4.42Å; T278-Y281 WeakPolarHBondContact O-CD2 3.49Å; T278-Y281 PolarHBondContact O-N 3.34Å; T278-F316 HydrophobicContact CG2-CB 4.28Å; T278-F321 HydrophobicContact CG2-CB 4.03Å; T278-F321 HydrophobicContact CG2-CG 4.31Å; T278-F321 WeakPolarHBondContact O-CZ 3.45Å; T278-F321 WeakPolarHBondContact OG1-CD2 3.46Å; T278-F321 WeakPolarHBondContact OG1-CG 3.49Å
279I98.5Very high95.9Very high0 Ų013.9 Ų13.90%06%0.064CC..THydrogen-bonded Turntrans-67.1-22.3168.9-57.2171.4000110.6I120 V121 I124 F275 D276 A277 Y281 I282 S283 F321I120-I279 HydrophobicContact CB-CG2 4.46Å; I120-I279 HydrophobicContact CG2-CG2 3.75Å; V121-I279 HydrophobicContact CB-CD1 4.43Å; V121-I279 HydrophobicContact CG1-CD1 4.35Å; V121-I279 HydrophobicContact CG2-CB 3.93Å; V121-I279 HydrophobicContact CG2-CD1 4.02Å; V121-I279 HydrophobicContact CG2-CG2 3.59Å; I124-I279 HydrophobicContact CB-CD1 4.4Å; I124-I279 HydrophobicContact CD1-CD1 4.1Å; I124-I279 HydrophobicContact CD1-CG1 4.1Å; I124-I279 HydrophobicContact CD1-CG2 3.88Å; I124-I279 HydrophobicContact CG2-CD1 4.09Å; F275-I279 HydrophobicContact CE1-CD1 4.4Å; F275-I279 HydrophobicContact CZ-CD1 4.4Å; D276-I279 WeakPolarHBondContact O-CA 3.43Å; D276-I279 WeakPolarHBondContact O-CB 3.09Å; D276-I279 PolarHBondContact O-N 3.25Å; D276-I279 VanDerWaalsContact O-N 3.08Å; A277-I279 VanDerWaalsContact C-N 3.32Å; A277-I279 PolarHBondContact O-N 2.98Å; I279-Y281 PolarHBondContact O-N 2.96Å; I279-Y281 VanDerWaalsContact O-N 3.16Å; I279-I282 WeakPolarHBondContact O-CA 3.5Å; I279-I282 WeakPolarHBondContact O-CB 3.47Å; I279-I282 PolarHBondContact O-N 3.18Å; I279-S283 PolarHBondContact O-N 3.16Å; I279-S283 VanDerWaalsContact O-N 3.11Å; I279-F321 HydrophobicContact CG1-CD2 4.46Å; I279-F321 HydrophobicContact CG1-CE2 4.01Å
280G98.4Very high95.8Very high0 Ų015.6 Ų15.60%08%0.077CC..Hα-helixtrans-49-36.3170.300000114D276 A277 T278 I282 S283 I284D276-G280 PolarHBondContact O-N 3.39Å; D276-G280 VanDerWaalsContact O-N 3.13Å; A277-G280 VanDerWaalsContact O-CA 3.27Å; A277-G280 WeakPolarHBondContact O-CA 3.4Å; A277-G280 PolarHBondContact O-N 3.35Å; T278-G280 PolarHBondContact O-N 2.93Å; G280-I282 VanDerWaalsContact C-N 3.28Å; G280-I282 PolarHBondContact O-N 3.06Å; G280-S283 WeakPolarHBondContact CA-OG 3.38Å; G280-S283 PolarHBondContact O-N 3.03Å; G280-S283 PolarHBondContact O-OG 2.83Å; G280-S283 VanDerWaalsContact O-OG 3.13Å; G280-I284 VanDerWaalsContact O-CB 3.23Å; G280-I284 WeakPolarHBondContact O-CB 3.28Å; G280-I284 WeakPolarHBondContact O-CD1 3.41Å; G280-I284 WeakPolarHBondContact O-CG1 3.48Å; G280-I284 PolarHBondContact O-N 2.96Å
281Y98.4Very high95.6Very high5 Ų521.6 Ų21.62%0.0211%0.109CC..Hα-helixtrans-60.1-40.6175.7-57-51.7000112.2T24 S25 A26 L27 T278 I279 T285 H317T24-Y281 HydrophobicContact CG2-CD1 3.84Å; T24-Y281 HydrophobicContact CG2-CE1 4.45Å; T24-Y281 HydrophobicContact CG2-CG 3.94Å; S25-Y281 WeakPolarHBondContact O-CE1 3.41Å; A26-Y281 WeakPolarHBondContact CA-OH 3.33Å; L27-Y281 HydrophobicContact CD1-CE1 4.32Å; L27-Y281 HydrophobicContact CD2-CD1 3.89Å; L27-Y281 HydrophobicContact CD2-CE1 3.54Å; L27-Y281 HydrophobicContact CG-CD1 4.2Å; L27-Y281 HydrophobicContact CG-CE1 3.6Å; T278-Y281 HydrophobicContact CG2-CE2 4.42Å; T278-Y281 WeakPolarHBondContact O-CD2 3.49Å; T278-Y281 PolarHBondContact O-N 3.34Å; I279-Y281 PolarHBondContact O-N 2.96Å; I279-Y281 VanDerWaalsContact O-N 3.16Å; Y281-T285 WeakPolarHBondContact O-CB 3.4Å; Y281-T285 PolarHBondContact O-N 3.02Å; Y281-T285 VanDerWaalsContact O-N 3.13Å; Y281-T285 PolarHBondContact O-OG1 3.18Å; Y281-H317 AromaticContact CE2-CD2 3.89Å; Y281-H317 AromaticContact CE2-NE2 3.4Å; Y281-H317 WeakPolarHBondContact CE2-NE2 3.42Å; Y281-H317 AromaticContact CZ-NE2 3.47Å; Y281-H317 PolarHBondContact OH-NE2 3.24Å
282I98.4Very high95.3Very high0 Ų024.6 Ų24.60%013%0.125CC..Hα-helixtrans-70.7-46.4-179.9-51.9-178.5000109.8I120 I124 I279 G280 T285 A286 W293 W297 F321 L325 Y332I120-I282 HydrophobicContact CD1-CG2 4.08Å; I120-I282 HydrophobicContact CG2-CB 4.39Å; I120-I282 HydrophobicContact CG2-CG2 4.03Å; I124-I282 HydrophobicContact CD1-CD1 4.17Å; I279-I282 WeakPolarHBondContact O-CA 3.5Å; I279-I282 WeakPolarHBondContact O-CB 3.47Å; I279-I282 PolarHBondContact O-N 3.18Å; G280-I282 VanDerWaalsContact C-N 3.28Å; G280-I282 PolarHBondContact O-N 3.06Å; I282-T285 WeakPolarHBondContact O-CB 3.46Å; I282-T285 PolarHBondContact O-N 3.2Å; I282-A286 WeakPolarHBondContact O-CB 3.3Å; I282-A286 PolarHBondContact O-N 3.4Å; I282-W293 HydrophobicContact CG2-CE3 3.52Å; I282-W293 HydrophobicContact CG2-CH2 3.94Å; I282-W293 HydrophobicContact CG2-CZ3 3.18Å; I282-W297 HydrophobicContact CB-CD2 4.45Å; I282-W297 HydrophobicContact CD1-CD2 4.48Å; I282-W297 HydrophobicContact CD1-CE3 4.26Å; I282-W297 HydrophobicContact CG1-CD2 3.74Å; I282-W297 HydrophobicContact CG1-CE3 3.84Å; I282-W297 HydrophobicContact CG1-CG 4.2Å; I282-W297 HydrophobicContact CG1-CH2 4.36Å; I282-W297 HydrophobicContact CG1-CZ2 4.27Å; I282-W297 HydrophobicContact CG1-CZ3 4.15Å; I282-W297 HydrophobicContact CG2-CB 4.41Å; I282-W297 HydrophobicContact CG2-CG 4.13Å; I282-F321 HydrophobicContact CD1-CE2 4.39Å; I282-F321 HydrophobicContact CD1-CZ 4.02Å; I282-F321 HydrophobicContact CG1-CZ 4.31Å; I282-L325 HydrophobicContact CD1-CD2 4.27Å; I282-Y332 HydrophobicContact CD1-CD1 4.26Å; I282-Y332 HydrophobicContact CD1-CE1 4.03Å
283S98.6Very high95.4Very high0 Ų022.5 Ų22.50%012%0.117CC..Hα-helixtrans-68.5-38.1-178.270.80000112.9Q117 I279 G280 T285 A286 N287Q117-S283 VanDerWaalsContact CA-CB 3.48Å; Q117-S283 VanDerWaalsContact OE1-CB 3.29Å; Q117-S283 PolarHBondContact OE1-OG 3.44Å; I279-S283 PolarHBondContact O-N 3.16Å; I279-S283 VanDerWaalsContact O-N 3.11Å; G280-S283 WeakPolarHBondContact CA-OG 3.38Å; G280-S283 PolarHBondContact O-N 3.03Å; G280-S283 PolarHBondContact O-OG 2.83Å; G280-S283 VanDerWaalsContact O-OG 3.13Å; S283-T285 VanDerWaalsContact C-N 3.32Å; S283-T285 PolarHBondContact O-N 3.25Å; S283-A286 WeakPolarHBondContact O-CB 3.43Å; S283-A286 PolarHBondContact O-N 2.81Å; S283-A286 VanDerWaalsContact O-N 3.17Å; S283-N287 PolarHBondContact O-N 3.23Å; S283-N287 PolarHBondContact O-ND2 3.03Å
284I98.6Very high95.6Very high0 Ų027.6 Ų27.60%014%0.138CC..Hα-helixtrans-61.6-43.8172.1-69.1166.3000110L27 I63 Y108 G280 A286 N287 Y288L27-I284 HydrophobicContact CD1-CD1 4.26Å; L27-I284 HydrophobicContact CD2-CD1 3.82Å; I63-I284 HydrophobicContact CG2-CB 3.95Å; I63-I284 HydrophobicContact CG2-CG2 3.34Å; Y108-I284 HydrophobicContact CD1-CG2 3.53Å; Y108-I284 HydrophobicContact CE1-CG2 3.88Å; G280-I284 VanDerWaalsContact O-CB 3.23Å; G280-I284 WeakPolarHBondContact O-CB 3.28Å; G280-I284 WeakPolarHBondContact O-CD1 3.41Å; G280-I284 WeakPolarHBondContact O-CG1 3.48Å; G280-I284 PolarHBondContact O-N 2.96Å; I284-A286 VanDerWaalsContact C-N 3.31Å; I284-A286 PolarHBondContact O-N 2.89Å; I284-N287 PolarHBondContact O-N 3.15Å; I284-Y288 PolarHBondContact O-N 3.42Å; I284-Y288 VanDerWaalsContact O-N 3.12Å
285T97.7Very high96.1Very high0 Ų027.8 Ų27.80%014%0.143CC..Hα-helixtrans-62.6-38.6174.3-50.90000111.5L61 Y281 I282 S283 N287 Y288 L289 W293 W297L61-T285 HydrophobicContact CD2-CG2 4.11Å; Y281-T285 WeakPolarHBondContact O-CB 3.4Å; Y281-T285 PolarHBondContact O-N 3.02Å; Y281-T285 VanDerWaalsContact O-N 3.13Å; Y281-T285 PolarHBondContact O-OG1 3.18Å; I282-T285 WeakPolarHBondContact O-CB 3.46Å; I282-T285 PolarHBondContact O-N 3.2Å; S283-T285 VanDerWaalsContact C-N 3.32Å; S283-T285 PolarHBondContact O-N 3.25Å; T285-N287 PolarHBondContact O-N 2.84Å; T285-Y288 PolarHBondContact O-N 3.28Å; T285-L289 PolarHBondContact O-N 2.91Å; T285-W293 HydrophobicContact CG2-CB 4Å; T285-W297 PolarHBondContact OG1-NE1 2.98Å
286A97.8Very high96.3Very high0 Ų027.7 Ų27.70%014%0.143CC..Hα-helixtrans-67-31.9176.700000113.4K116 I120 I282 S283 I284 L289 P290 W293K116-A286 HydrophobicContact CB-CB 4.42Å; K116-A286 HydrophobicContact CD-CB 4.41Å; K116-A286 HydrophobicContact CG-CB 4.45Å; I120-A286 HydrophobicContact CD1-CB 3.73Å; I282-A286 WeakPolarHBondContact O-CB 3.3Å; I282-A286 PolarHBondContact O-N 3.4Å; S283-A286 WeakPolarHBondContact O-CB 3.43Å; S283-A286 PolarHBondContact O-N 2.81Å; S283-A286 VanDerWaalsContact O-N 3.17Å; I284-A286 VanDerWaalsContact C-N 3.31Å; I284-A286 PolarHBondContact O-N 2.89Å; A286-L289 CarbonylContact O-C 3.49Å; A286-P290 WeakPolarHBondContact O-CA 3.4Å; A286-W293 HydrophobicContact CB-CB 4.15Å; A286-W293 HydrophobicContact CB-CD2 3.95Å; A286-W293 HydrophobicContact CB-CG 3.62Å
287N97.3Very high96.3Very high54 Ų5427.6 Ų27.629%0.28914%0.143SC..Hα-helixtrans-71-33.4172.3-75.1-54.8000111.8Y108 T114 K116 S283 I284 T285Y108-N287 HydrophobicContact CE1-CB 4.07Å; T114-N287 PolarHBondContact OG1-ND2 3.35Å; K116-N287 WeakPolarHBondContact CG-OD1 3.3Å; S283-N287 PolarHBondContact O-N 3.23Å; S283-N287 PolarHBondContact O-ND2 3.03Å; I284-N287 PolarHBondContact O-N 3.15Å; T285-N287 PolarHBondContact O-N 2.84Å
288Y96.2Very high96.2Very high33 Ų3328.6 Ų28.613%0.12915%0.145CC..Hα-helixtrans-75.3-44.6176-179-125.8000113.1K11 I12 L61 I63 Y108 I284 T285 P290K11-Y288 WeakPolarHBondContact CA-OH 3.4Å; K11-Y288 WeakPolarHBondContact CE-O 3.43Å; I12-Y288 PolarHBondContact N-OH 2.99Å; L61-Y288 HydrophobicContact CD1-CD1 4.02Å; L61-Y288 HydrophobicContact CD1-CE1 3.64Å; I63-Y288 HydrophobicContact CD1-CD1 4.35Å; Y108-Y288 HydrophobicContact CD1-CG 4.41Å; Y108-Y288 AromaticContact CD2-CD2 3.82Å; Y108-Y288 HydrophobicContact CD2-CD2 3.82Å; Y108-Y288 HydrophobicContact CD2-CG 4.36Å; Y108-Y288 AromaticContact CG-CD2 3.82Å; Y108-Y288 HydrophobicContact CG-CD2 3.82Å; Y108-Y288 AromaticContact CG-CG 3.94Å; Y108-Y288 HydrophobicContact CG-CG 3.94Å; I284-Y288 PolarHBondContact O-N 3.42Å; I284-Y288 VanDerWaalsContact O-N 3.12Å; T285-Y288 PolarHBondContact O-N 3.28Å; Y288-P290 WeakPolarHBondContact O-CD 3.27Å
289L95.2Very high95.2Very high4 Ų429.6 Ų29.62%0.02116%0.157CC..  trans-123.169.9-176.4-58.7175.6000110.6K11 I12 L61 T285 A286 D291 N292 W293K11-L289 HydrophobicContact CB-CD2 3.7Å; K11-L289 HydrophobicContact CD-CD2 3.91Å; K11-L289 HydrophobicContact CG-CD2 3.89Å; I12-L289 WeakPolarHBondContact O-CD1 3.37Å; L61-L289 HydrophobicContact CD2-CD1 4.25Å; T285-L289 PolarHBondContact O-N 2.91Å; A286-L289 CarbonylContact O-C 3.49Å; L289-D291 PolarHBondContact O-N 2.74Å; L289-D291 VanDerWaalsContact O-N 3.08Å; L289-N292 PolarHBondContact O-N 3.01Å; L289-W293 HydrophobicContact CB-CB 4.34Å; L289-W293 WeakPolarHBondContact O-CB 3.49Å; L289-W293 PolarHBondContact O-N 2.89Å
290P93.6Very high94Very high54 Ų5440 Ų4035%0.35120%0.202SC..THydrogen-bonded Turntrans-55.7-33.1-174.320.4-33000113.9A286 Y288A286-P290 WeakPolarHBondContact O-CA 3.4Å; Y288-P290 WeakPolarHBondContact O-CD 3.27Å
291D91.9Very high93Very high134 Ų13444.2 Ų44.272%0.71722%0.222SC*.THydrogen-bonded Turntrans-91.7-21.7-175.1-48.3-55.2000113.5L289L289-D291 PolarHBondContact O-N 2.74Å; L289-D291 VanDerWaalsContact O-N 3.08Å
292N91Very high92.5Very high68 Ų6851.7 Ų51.736%0.36425%0.254SS..THydrogen-bonded Turntrans-136.47.9-165.5-72.872.4000114.9L289 K294 D295L289-N292 PolarHBondContact O-N 3.01Å; N292-K294 PolarHBondContact O-N 3.31Å; N292-K294 VanDerWaalsContact O-N 3.15Å; N292-D295 WeakPolarHBondContact CB-OD2 3.34Å; N292-D295 PolarHBondContact ND2-OD2 2.9Å; N292-D295 WeakPolarHBondContact O-CB 3.44Å; N292-D295 PolarHBondContact O-N 2.86Å
293W95Very high92.3Very high27 Ų2752.2 Ų52.210%0.10226%0.258CS..Hα-helixtrans-59.3-28.6179.269.6-90.9000113.3I120 I282 T285 A286 L289 D295 W296 W297 M298I120-W293 HydrophobicContact CD1-CH2 4.28Å; I120-W293 HydrophobicContact CD1-CZ2 4.13Å; I120-W293 HydrophobicContact CG1-CZ2 4.4Å; I282-W293 HydrophobicContact CG2-CE3 3.52Å; I282-W293 HydrophobicContact CG2-CH2 3.94Å; I282-W293 HydrophobicContact CG2-CZ3 3.18Å; T285-W293 HydrophobicContact CG2-CB 4Å; A286-W293 HydrophobicContact CB-CB 4.15Å; A286-W293 HydrophobicContact CB-CD2 3.95Å; A286-W293 HydrophobicContact CB-CG 3.62Å; L289-W293 HydrophobicContact CB-CB 4.34Å; L289-W293 WeakPolarHBondContact O-CB 3.49Å; L289-W293 PolarHBondContact O-N 2.89Å; W293-D295 PolarHBondContact O-N 3.3Å; W293-W296 PolarHBondContact O-N 2.98Å; W293-W297 HydrophobicContact CE3-CB 4.06Å; W293-W297 HydrophobicContact CE3-CG 4.42Å; W293-W297 HydrophobicContact CZ3-CB 4.09Å; W293-W297 PolarHBondContact O-N 2.86Å; W293-M298 HydrophobicContact CH2-SD 4.23Å; W293-M298 HydrophobicContact CZ3-SD 4.38Å
294K95.1Very high92.1Very high116 Ų11653.4 Ų53.450%0.50426%0.263SS..Hα-helixtrans-65-25.6176.5-70.4-173.1178.7179.40112.7N292 W296 W297 M298 G299N292-K294 PolarHBondContact O-N 3.31Å; N292-K294 VanDerWaalsContact O-N 3.15Å; K294-W296 PolarHBondContact O-N 3.48Å; K294-W297 PolarHBondContact O-N 3.37Å; K294-M298 HydrophobicContact CB-CB 4.45Å; K294-M298 HydrophobicContact CD-SD 4.26Å; K294-M298 HydrophobicContact CG-SD 4.17Å; K294-M298 CarbonylContact O-C 3.55Å; K294-M298 WeakPolarHBondContact O-CA 3.37Å; K294-M298 PolarHBondContact O-N 3.21Å; K294-G299 PolarHBondContact O-N 2.86Å
295D94.3Very high92Very high63 Ų6353.4 Ų53.434%0.33726%0.263SS..Hα-helixtrans-62.4-38.1176.2-61.5-25.3000110.2L14 N292 W293L14-D295 HydrophobicContact CB-CB 4.07Å; L14-D295 HydrophobicContact CD1-CB 4.36Å; L14-D295 VanDerWaalsContact CD1-O 3.27Å; L14-D295 WeakPolarHBondContact CD1-O 3.42Å; N292-D295 WeakPolarHBondContact CB-OD2 3.34Å; N292-D295 PolarHBondContact ND2-OD2 2.9Å; N292-D295 WeakPolarHBondContact O-CB 3.44Å; N292-D295 PolarHBondContact O-N 2.86Å; W293-D295 PolarHBondContact O-N 3.3Å
296W96.1Very high91.9Very high1 Ų153.7 Ų53.70%0.00426%0.264CS..Hα-helixtrans-77.7-34178-74.5100.1000114I12 L14 N20 L22 L61 W293 K294 V303 T333I12-W296 HydrophobicContact CG2-CZ2 4.08Å; I12-W296 PolarHBondContact O-NE1 3.46Å; L14-W296 HydrophobicContact CB-CZ2 4.49Å; N20-W296 HydrophobicContact CB-CH2 4.14Å; N20-W296 HydrophobicContact CB-CZ3 3.95Å; L22-W296 HydrophobicContact CB-CE3 4Å; L22-W296 HydrophobicContact CB-CZ3 4.19Å; L22-W296 HydrophobicContact CD1-CE3 4.4Å; L61-W296 HydrophobicContact CB-CD2 4.42Å; L61-W296 HydrophobicContact CB-CE3 4.4Å; L61-W296 HydrophobicContact CB-CH2 3.76Å; L61-W296 HydrophobicContact CB-CZ2 3.78Å; L61-W296 HydrophobicContact CB-CZ3 4.08Å; L61-W296 HydrophobicContact CD2-CD2 3.78Å; L61-W296 HydrophobicContact CD2-CE3 4.39Å; L61-W296 HydrophobicContact CD2-CG 3.91Å; L61-W296 HydrophobicContact CD2-CZ2 4.23Å; W293-W296 PolarHBondContact O-N 2.98Å; K294-W296 PolarHBondContact O-N 3.48Å; W296-V303 HydrophobicContact CE3-CG1 3.81Å; W296-V303 HydrophobicContact CE3-CG2 4.15Å; W296-V303 HydrophobicContact CZ3-CG1 4.16Å; W296-T333 WeakPolarHBondContact O-CB 3.43Å; W296-T333 PolarHBondContact O-OG1 2.74Å
297W96.8Very high91.8Very high0 Ų053.7 Ų53.70%027%0.265CS..Hα-helixtrans-109.2-13.6-170.3-75.4103.1000115.8L22 T24 I282 T285 W293 K294 L305 F321 Y332 T333L22-W297 HydrophobicContact CD2-CD2 4.09Å; L22-W297 HydrophobicContact CD2-CE3 4.44Å; L22-W297 HydrophobicContact CD2-CH2 4Å; L22-W297 HydrophobicContact CD2-CZ2 3.58Å; L22-W297 HydrophobicContact CD2-CZ3 4.41Å; L22-W297 HydrophobicContact CG-CZ2 4.49Å; T24-W297 HydrophobicContact CG2-CZ2 4.47Å; I282-W297 HydrophobicContact CB-CD2 4.45Å; I282-W297 HydrophobicContact CD1-CD2 4.48Å; I282-W297 HydrophobicContact CD1-CE3 4.26Å; I282-W297 HydrophobicContact CG1-CD2 3.74Å; I282-W297 HydrophobicContact CG1-CE3 3.84Å; I282-W297 HydrophobicContact CG1-CG 4.2Å; I282-W297 HydrophobicContact CG1-CH2 4.36Å; I282-W297 HydrophobicContact CG1-CZ2 4.27Å; I282-W297 HydrophobicContact CG1-CZ3 4.15Å; I282-W297 HydrophobicContact CG2-CB 4.41Å; I282-W297 HydrophobicContact CG2-CG 4.13Å; T285-W297 PolarHBondContact OG1-NE1 2.98Å; W293-W297 HydrophobicContact CE3-CB 4.06Å; W293-W297 HydrophobicContact CE3-CG 4.42Å; W293-W297 HydrophobicContact CZ3-CB 4.09Å; W293-W297 PolarHBondContact O-N 2.86Å; K294-W297 PolarHBondContact O-N 3.37Å; W297-L305 HydrophobicContact CH2-CD1 4.18Å; W297-L305 HydrophobicContact CH2-CD2 3.92Å; W297-L305 HydrophobicContact CZ3-CD2 3.72Å; W297-F321 HydrophobicContact CZ3-CE1 4.35Å; W297-F321 HydrophobicContact CZ3-CZ 4.47Å; W297-Y332 CarbonylContact O-C 3.58Å; W297-Y332 VanDerWaalsContact O-CA 3.22Å; W297-Y332 WeakPolarHBondContact O-CA 3.12Å; W297-Y332 VanDerWaalsContact O-CD1 3.29Å; W297-Y332 WeakPolarHBondContact O-CD1 3.37Å; W297-T333 WeakPolarHBondContact CA-OG1 3.36Å; W297-T333 PolarHBondContact O-N 2.88Å; W297-T333 PolarHBondContact O-OG1 3.08Å
298M93.9Very high91.7Very high34 Ų3451.2 Ų51.217%0.16725%0.251CS..Hα-helixtrans-144.95.9-176.3-57.1-177.375.500112.9W293 K294 Q330 P331 Y332W293-M298 HydrophobicContact CH2-SD 4.23Å; W293-M298 HydrophobicContact CZ3-SD 4.38Å; K294-M298 HydrophobicContact CB-CB 4.45Å; K294-M298 HydrophobicContact CD-SD 4.26Å; K294-M298 HydrophobicContact CG-SD 4.17Å; K294-M298 CarbonylContact O-C 3.55Å; K294-M298 WeakPolarHBondContact O-CA 3.37Å; K294-M298 PolarHBondContact O-N 3.21Å; M298-Q330 HydrophobicContact CE-CB 3.97Å; M298-Q330 HydrophobicContact CE-CG 4.38Å; M298-P331 WeakPolarHBondContact CA-O 3.49Å; M298-Y332 HydrophobicContact CE-CE1 4.25Å; M298-Y332 HydrophobicContact CE-CE2 4.35Å; M298-Y332 HydrophobicContact CG-CD1 3.66Å; M298-Y332 HydrophobicContact CG-CE1 3.61Å; M298-Y332 HydrophobicContact CG-CG 4.41Å; M298-Y332 HydrophobicContact SD-CD1 4.43Å; M298-Y332 HydrophobicContact SD-CE1 3.8Å
299G76.2Confident91.6Very high28 Ų2849.6 Ų49.629%0.28925%0.245SC..  trans-71.1163.5-169.800000113.6K294 E301K294-G299 PolarHBondContact O-N 2.86Å; G299-E301 VanDerWaalsContact C-N 3.33Å
300K74.2Confident91.4Very high220 Ų22049.8 Ų49.896%0.95725%0.248SC*.SBendtrans-74.9-26.5172-66.2-176179-179.70112.7
301E76.6Confident91.2Very high87 Ų8749.4 Ų49.441%0.40724%0.241SC..SBendtrans-73.6142.7180-68.2-68.3153.700110.4L14 G299 V303L14-E301 HydrophobicContact CD1-CB 4.13Å; L14-E301 HydrophobicContact CD2-CB 3.59Å; L14-E301 HydrophobicContact CD2-CG 3.66Å; L14-E301 HydrophobicContact CG-CB 4.5Å; G299-E301 VanDerWaalsContact C-N 3.33Å; E301-V303 PolarHBondContact O-N 3.22Å
302K88.1Confident91Very high162 Ų16246.9 Ų46.970%0.70423%0.227SC*.  trans-69.1119.2-179.9-172.9180178.4-175.80109.9
303V95Very high91Very high12 Ų1245 Ų457%0.07322%0.217CC..EExtended strand (participates in β ladder)trans-111.9129.6169.9177.10000108.4L14 N20 L22 W296 E301 T333L14-V303 HydrophobicContact CD1-CG2 3.52Å; N20-V303 HydrophobicContact CB-CG2 4.33Å; L22-V303 HydrophobicContact CB-CG1 3.65Å; L22-V303 HydrophobicContact CD2-CG1 4.4Å; W296-V303 HydrophobicContact CE3-CG1 3.81Å; W296-V303 HydrophobicContact CE3-CG2 4.15Å; W296-V303 HydrophobicContact CZ3-CG1 4.16Å; E301-V303 PolarHBondContact O-N 3.22Å; V303-T333 HydrophobicContact CB-CG2 3.86Å; V303-T333 HydrophobicContact CG1-CG2 3.88Å
304E93.7Very high91Very high24 Ų2443.7 Ų43.711%0.11221%0.212CC..EExtended strand (participates in β ladder)trans-95.5112.3172.7-65.1170.1-11900109R19 N20 I21 L22 Y306 S336R19-E304 WeakPolarHBondContact CG-OE1 3.49Å; R19-E304 IonicContact CZ-OE1 2.84Å; R19-E304 IonicContact CZ-OE2 3.56Å; R19-E304 IonicContact NE-OE1 3.28Å; R19-E304 PolarHBondContact NE-OE1 2.93Å; R19-E304 IonicContact NE-OE2 2.94Å; R19-E304 PolarHBondContact NE-OE2 3.1Å; R19-E304 IonicContact NH2-OE1 3.99Å; R19-E304 IonicContact NH2-OE2 2.68Å; R19-E304 PolarHBondContact NH2-OE2 3.08Å; N20-E304 PolarHBondContact O-N 3.25Å; I21-E304 HydrophobicContact CD1-CB 3.87Å; I21-E304 HydrophobicContact CD1-CG 4.43Å; L22-E304 PolarHBondContact N-O 3.13Å; E304-Y306 HydrophobicContact CB-CD2 4.43Å; E304-Y306 HydrophobicContact CB-CE2 3.9Å; E304-S336 WeakPolarHBondContact CA-OG 3.44Å
305L95.5Very high90.9Very high1 Ų139.1 Ų39.11%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-92121.1179.3172.761000110.7L22 T24 W297 N307 T333 V335 S336 H337L22-L305 HydrophobicContact CB-CD1 4.18Å; L22-L305 HydrophobicContact CD2-CD1 3.95Å; L22-L305 HydrophobicContact CG-CD1 3.78Å; L22-L305 CarbonylContact O-C 3.52Å; L22-L305 WeakPolarHBondContact O-CA 3.37Å; T24-L305 HydrophobicContact CG2-CD1 4.02Å; W297-L305 HydrophobicContact CH2-CD1 4.18Å; W297-L305 HydrophobicContact CH2-CD2 3.92Å; W297-L305 HydrophobicContact CZ3-CD2 3.72Å; L305-N307 WeakPolarHBondContact CD1-ND2 3.35Å; L305-T333 HydrophobicContact CB-CG2 4.09Å; L305-V335 HydrophobicContact CD2-CB 4.2Å; L305-V335 HydrophobicContact CG-CB 4.43Å; L305-S336 PolarHBondContact N-OG 3.42Å; L305-S336 WeakPolarHBondContact O-CA 3.21Å; L305-S336 WeakPolarHBondContact O-CB 3.35Å; L305-S336 PolarHBondContact O-N 2.97Å; L305-H337 PolarHBondContact O-N 3.1Å
306Y95.8Very high90.8Very high5 Ų537.8 Ų37.82%0.0218%0.184CC..EExtended strand (participates in β ladder)trans-108.6120.7174.2-73-105.7000110I21 L22 I23 T24 F49 E304 H337I21-Y306 HydrophobicContact CD1-CE2 4.09Å; I21-Y306 HydrophobicContact CG2-CD2 3.74Å; I21-Y306 HydrophobicContact CG2-CE2 3.98Å; L22-Y306 PolarHBondContact O-N 2.73Å; I23-Y306 WeakPolarHBondContact CA-O 3.39Å; T24-Y306 PolarHBondContact N-O 3.39Å; F49-Y306 HydrophobicContact CD1-CD1 4.25Å; F49-Y306 HydrophobicContact CD1-CG 4.35Å; F49-Y306 AromaticContact CE1-CD1 3.44Å; F49-Y306 HydrophobicContact CE1-CD1 3.44Å; F49-Y306 VanDerWaalsContact CE1-CD1 3.44Å; F49-Y306 AromaticContact CE1-CD2 3.86Å; F49-Y306 HydrophobicContact CE1-CD2 3.86Å; F49-Y306 AromaticContact CE1-CE1 3.71Å; F49-Y306 HydrophobicContact CE1-CE1 3.71Å; F49-Y306 HydrophobicContact CE1-CE2 4.07Å; F49-Y306 AromaticContact CE1-CG 3.54Å; F49-Y306 HydrophobicContact CE1-CG 3.54Å; F49-Y306 HydrophobicContact CE2-CD1 4.49Å; F49-Y306 HydrophobicContact CE2-CE1 4.18Å; F49-Y306 AromaticContact CZ-CD1 3.61Å; F49-Y306 HydrophobicContact CZ-CD1 3.61Å; F49-Y306 HydrophobicContact CZ-CD2 4.3Å; F49-Y306 AromaticContact CZ-CE1 3.35Å; F49-Y306 HydrophobicContact CZ-CE1 3.35Å; F49-Y306 HydrophobicContact CZ-CE2 4.07Å; F49-Y306 HydrophobicContact CZ-CG 4.09Å; F49-Y306 AromaticContact CZ-CZ 3.59Å; E304-Y306 HydrophobicContact CB-CD2 4.43Å; E304-Y306 HydrophobicContact CB-CE2 3.9Å; Y306-H337 WeakPolarHBondContact CA-O 3.43Å; Y306-H337 HydrophobicContact CD1-CB 3.38Å; Y306-H337 AromaticContact CD1-CG 3.83Å; Y306-H337 HydrophobicContact CE1-CB 3.48Å; Y306-H337 VanDerWaalsContact CE1-CB 3.48Å; Y306-H337 AromaticContact CE1-CD2 3.38Å; Y306-H337 WeakPolarHBondContact CE1-CD2 3.27Å; Y306-H337 AromaticContact CE1-CG 3.36Å; Y306-H337 AromaticContact CE2-CD2 3.5Å; Y306-H337 HydrophobicContact CG-CB 3.95Å; Y306-H337 AromaticContact CZ-CD2 3.11Å; Y306-H337 AromaticContact CZ-CG 3.64Å; Y306-H337 AromaticContact CZ-NE2 3.66Å; Y306-H337 PolarHBondContact OH-CD2 3.06Å; Y306-H337 VanDerWaalsContact OH-CD2 3.32Å; Y306-H337 PolarHBondContact OH-NE2 2.87Å
307N95.9Very high90.8Very high1 Ų137.9 Ų37.91%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-105127.9172.4-60.6153.4000110.7T24 L305 V309 V335 H337 S339T24-N307 PolarHBondContact OG1-ND2 2.68Å; L305-N307 WeakPolarHBondContact CD1-ND2 3.35Å; N307-V309 HydrophobicContact CB-CG1 4.25Å; N307-V335 HydrophobicContact CB-CG2 4.29Å; N307-V335 WeakPolarHBondContact OD1-CG2 3.46Å; N307-H337 PolarHBondContact N-O 2.93Å; N307-S339 PolarHBondContact O-N 2.87Å
308F96.1Very high90.8Very high1 Ų137.9 Ų37.90%0.00419%0.185CC..EExtended strand (participates in β ladder)trans-107.1115.4173-74.2-94.4000110.1I23 T24 S25 A26 A46 F49 S339 L416I23-F308 HydrophobicContact CG2-CD2 3.85Å; I23-F308 HydrophobicContact CG2-CE2 3.88Å; T24-F308 PolarHBondContact O-N 2.95Å; S25-F308 WeakPolarHBondContact CA-O 3.38Å; A26-F308 PolarHBondContact N-O 2.93Å; A46-F308 HydrophobicContact CB-CB 3.78Å; A46-F308 HydrophobicContact CB-CD1 4.32Å; A46-F308 HydrophobicContact CB-CD2 3.62Å; A46-F308 HydrophobicContact CB-CE2 4.31Å; A46-F308 HydrophobicContact CB-CG 3.63Å; F49-F308 HydrophobicContact CB-CE1 4.27Å; F49-F308 HydrophobicContact CB-CE2 3.95Å; F49-F308 HydrophobicContact CB-CZ 3.41Å; F49-F308 VanDerWaalsContact CB-CZ 3.41Å; F49-F308 AromaticContact CD1-CE2 3.76Å; F49-F308 HydrophobicContact CD1-CE2 3.76Å; F49-F308 AromaticContact CD1-CZ 3.83Å; F49-F308 HydrophobicContact CD1-CZ 3.83Å; F49-F308 HydrophobicContact CD2-CZ 4.45Å; F49-F308 HydrophobicContact CG-CE2 4.07Å; F49-F308 AromaticContact CG-CZ 3.65Å; F49-F308 HydrophobicContact CG-CZ 3.65Å; F308-S339 WeakPolarHBondContact CA-O 3.36Å; F308-L416 HydrophobicContact CE1-CD1 3.95Å; F308-L416 HydrophobicContact CE1-CD2 4.46Å; F308-L416 HydrophobicContact CZ-CD1 4.34Å
309V94.2Very high90.9Very high0 Ų036.2 Ų36.20%018%0.177CC..EExtended strand (participates in β ladder)trans-141.2158.2-167.4-57.80000112A26 N307 N313 V314 I338 S339 A340 T341A26-V309 HydrophobicContact CB-CB 4.46Å; A26-V309 HydrophobicContact CB-CG1 4.2Å; N307-V309 HydrophobicContact CB-CG1 4.25Å; V309-N313 HydrophobicContact CB-CB 3.93Å; V309-N313 HydrophobicContact CG1-CB 4.4Å; V309-V314 HydrophobicContact CG2-CG2 4.23Å; V309-I338 HydrophobicContact CG2-CG2 3.93Å; V309-S339 PolarHBondContact N-O 3.19Å; V309-A340 HydrophobicContact CG2-CB 3.98Å; V309-A340 VanDerWaalsContact O-CA 3.24Å; V309-A340 WeakPolarHBondContact O-CA 3.49Å; V309-T341 PolarHBondContact O-N 2.88Å
310G90.3Very high91.8Very high8 Ų835.6 Ų35.68%0.08217%0.167CC..EExtended strand (participates in β ladder)trans-74.5157.8160.200000111.4D312 N313G310-D312 WeakPolarHBondContact CA-OD1 3.32Å; G310-D312 PolarHBondContact O-N 2.92Å; G310-D312 VanDerWaalsContact O-N 3.15Å; G310-N313 PolarHBondContact O-N 3.17Å
311K89.6Confident92.9Very high46 Ų4625.4 Ų25.420%0.212%0.123CC..G310 helixtrans-56.1-29.2179.167179.2167.5-165.50114.4I237 N313 V314 T341 E342 Y343 D387I237-K311 HydrophobicContact CD1-CB 3.94Å; K311-N313 VanDerWaalsContact C-N 3.26Å; K311-N313 PolarHBondContact O-N 3.41Å; K311-V314 WeakPolarHBondContact O-CB 3.48Å; K311-V314 WeakPolarHBondContact O-CG2 3.39Å; K311-V314 PolarHBondContact O-N 3.04Å; K311-T341 PolarHBondContact N-O 2.84Å; K311-E342 VanDerWaalsContact CD-OE2 3.23Å; K311-E342 WeakPolarHBondContact CD-OE2 3.43Å; K311-E342 WeakPolarHBondContact CE-OE2 3.4Å; K311-E342 IonicContact NZ-OE2 2.79Å; K311-E342 PolarHBondContact NZ-OE2 3.5Å; K311-Y343 HydrophobicContact CD-CE2 4.28Å; K311-Y343 HydrophobicContact CG-CE1 4.33Å; K311-Y343 HydrophobicContact CG-CE2 4.44Å; K311-D387 IonicContact NZ-OD1 3.15Å; K311-D387 PolarHBondContact NZ-OD1 2.89Å; K311-D387 VanDerWaalsContact NZ-OD1 3.1Å
312D87.2Confident93.8Very high80 Ų8021.3 Ų21.343%0.42810%0.104SC..G310 helixtrans-63.2-30.6174.960.4-31.2000113.2G310G310-D312 WeakPolarHBondContact CA-OD1 3.32Å; G310-D312 PolarHBondContact O-N 2.92Å; G310-D312 VanDerWaalsContact O-N 3.15Å
313N92.1Very high94.3Very high28 Ų2813.6 Ų13.615%0.157%0.07CC..G310 helixtrans-88.6-6.2-177.8-79.6-65.5000113.8V309 G310 K311 L315 F316 H317V309-N313 HydrophobicContact CB-CB 3.93Å; V309-N313 HydrophobicContact CG1-CB 4.4Å; G310-N313 PolarHBondContact O-N 3.17Å; K311-N313 VanDerWaalsContact C-N 3.26Å; K311-N313 PolarHBondContact O-N 3.41Å; N313-L315 PolarHBondContact O-N 2.96Å; N313-F316 PolarHBondContact O-N 3.5Å; N313-H317 PolarHBondContact O-N 3.41Å; N313-H317 PolarHBondContact O-ND1 2.86Å
314V94.2Very high94.4Very high0 Ų013 Ų130%07%0.067CC..Hα-helixtrans-57.8-48.8-174.2170.30000111.9A234 I237 V309 K311 F316 H317 S318 A340A234-V314 HydrophobicContact CB-CG1 4.15Å; A234-V314 HydrophobicContact CB-CG2 4.16Å; I237-V314 HydrophobicContact CB-CG1 4.03Å; I237-V314 HydrophobicContact CD1-CB 4.41Å; I237-V314 HydrophobicContact CD1-CG2 4.28Å; I237-V314 HydrophobicContact CG2-CB 4.07Å; I237-V314 HydrophobicContact CG2-CG1 3.82Å; V309-V314 HydrophobicContact CG2-CG2 4.23Å; K311-V314 WeakPolarHBondContact O-CB 3.48Å; K311-V314 WeakPolarHBondContact O-CG2 3.39Å; K311-V314 PolarHBondContact O-N 3.04Å; V314-F316 PolarHBondContact O-N 3.36Å; V314-F316 VanDerWaalsContact O-N 3.14Å; V314-H317 PolarHBondContact O-N 3Å; V314-S318 WeakPolarHBondContact O-CB 3.35Å; V314-S318 PolarHBondContact O-N 2.81Å; V314-S318 PolarHBondContact O-OG 2.82Å; V314-A340 HydrophobicContact CG2-CB 3.52Å
315L92.7Very high94.6Very high20 Ų2012 Ų1211%0.1056%0.062CC..Hα-helixtrans-51.2-42.5-179.6170.864.6000112.2W241 N313 I319 V320W241-L315 HydrophobicContact CB-CD1 4.37Å; W241-L315 HydrophobicContact CD2-CD1 3.74Å; W241-L315 HydrophobicContact CD2-CD2 4.29Å; W241-L315 HydrophobicContact CE3-CD1 4.25Å; W241-L315 HydrophobicContact CG-CD1 3.79Å; W241-L315 HydrophobicContact CH2-CD2 4.08Å; W241-L315 HydrophobicContact CZ2-CD2 3.66Å; N313-L315 PolarHBondContact O-N 2.96Å; L315-I319 HydrophobicContact CD1-CB 4.07Å; L315-I319 HydrophobicContact CD1-CD1 3.78Å; L315-I319 HydrophobicContact CD1-CG1 4.48Å; L315-I319 HydrophobicContact CD1-CG2 4.43Å; L315-I319 WeakPolarHBondContact O-CB 3.43Å; L315-I319 PolarHBondContact O-N 2.71Å; L315-V320 HydrophobicContact CD1-CG2 4.46Å; L315-V320 HydrophobicContact CG-CG2 4.17Å; L315-V320 PolarHBondContact O-N 2.83Å; L315-V320 VanDerWaalsContact O-N 3.08Å
316F93.7Very high94.7Very high35 Ų3514.1 Ų14.115%0.1547%0.073CC..Iπ-helixtrans-71.9-34.1-175.5-55.9-78.4000111.9W274 T278 N313 V314 V320 F321W274-F316 HydrophobicContact CB-CD1 4.1Å; W274-F316 HydrophobicContact CB-CE1 3.68Å; W274-F316 HydrophobicContact CB-CZ 4.44Å; W274-F316 HydrophobicContact CD2-CD1 4.11Å; W274-F316 HydrophobicContact CD2-CD2 4.47Å; W274-F316 AromaticContact CD2-CE1 3.52Å; W274-F316 HydrophobicContact CD2-CE1 3.52Å; W274-F316 AromaticContact CD2-CE2 3.94Å; W274-F316 HydrophobicContact CD2-CE2 3.94Å; W274-F316 AromaticContact CD2-CZ 3.41Å; W274-F316 HydrophobicContact CD2-CZ 3.41Å; W274-F316 VanDerWaalsContact CD2-CZ 3.41Å; W274-F316 AromaticContact CE3-CD1 3.42Å; W274-F316 HydrophobicContact CE3-CD1 3.42Å; W274-F316 VanDerWaalsContact CE3-CD1 3.42Å; W274-F316 AromaticContact CE3-CD2 3.39Å; W274-F316 HydrophobicContact CE3-CD2 3.39Å; W274-F316 AromaticContact CE3-CE1 3.24Å; W274-F316 HydrophobicContact CE3-CE1 3.24Å; W274-F316 AromaticContact CE3-CE2 3.21Å; W274-F316 HydrophobicContact CE3-CE2 3.21Å; W274-F316 AromaticContact CE3-CG 3.49Å; W274-F316 HydrophobicContact CE3-CG 3.49Å; W274-F316 VanDerWaalsContact CE3-CG 3.49Å; W274-F316 AromaticContact CE3-CZ 3.12Å; W274-F316 HydrophobicContact CE3-CZ 3.12Å; W274-F316 HydrophobicContact CG-CD1 4.45Å; W274-F316 AromaticContact CG-CE1 3.79Å; W274-F316 HydrophobicContact CG-CE1 3.79Å; W274-F316 HydrophobicContact CG-CZ 4.07Å; W274-F316 HydrophobicContact CH2-CD2 4.14Å; W274-F316 AromaticContact CH2-CE2 3.59Å; W274-F316 HydrophobicContact CH2-CE2 3.59Å; W274-F316 HydrophobicContact CH2-CZ 4Å; W274-F316 HydrophobicContact CZ2-CE2 4.29Å; W274-F316 HydrophobicContact CZ2-CZ 4.28Å; W274-F316 HydrophobicContact CZ3-CD1 4.16Å; W274-F316 AromaticContact CZ3-CD2 3.19Å; W274-F316 HydrophobicContact CZ3-CD2 3.19Å; W274-F316 HydrophobicContact CZ3-CE1 4.02Å; W274-F316 AromaticContact CZ3-CE2 3.01Å; W274-F316 HydrophobicContact CZ3-CE2 3.01Å; W274-F316 AromaticContact CZ3-CG 3.77Å; W274-F316 HydrophobicContact CZ3-CG 3.77Å; W274-F316 AromaticContact CZ3-CZ 3.47Å; W274-F316 HydrophobicContact CZ3-CZ 3.47Å; W274-F316 VanDerWaalsContact CZ3-CZ 3.47Å; T278-F316 HydrophobicContact CG2-CB 4.28Å; N313-F316 PolarHBondContact O-N 3.5Å; V314-F316 PolarHBondContact O-N 3.36Å; V314-F316 VanDerWaalsContact O-N 3.14Å; F316-V320 HydrophobicContact CD1-CB 4.37Å; F316-V320 HydrophobicContact CD1-CG2 4.06Å; F316-F321 WeakPolarHBondContact O-CB 3.31Å; F316-F321 PolarHBondContact O-N 2.97Å
317H96.1Very high94.8Very high3 Ų313.9 Ų13.91%0.0147%0.072CC..Iπ-helixtrans-88.5-30.5-178-65.775.8000113.1Y281 N313 V314 P322 I338Y281-H317 AromaticContact CE2-CD2 3.89Å; Y281-H317 AromaticContact CE2-NE2 3.4Å; Y281-H317 WeakPolarHBondContact CE2-NE2 3.42Å; Y281-H317 AromaticContact CZ-NE2 3.47Å; Y281-H317 PolarHBondContact OH-NE2 3.24Å; N313-H317 PolarHBondContact O-N 3.41Å; N313-H317 PolarHBondContact O-ND1 2.86Å; V314-H317 PolarHBondContact O-N 3Å; H317-P322 WeakPolarHBondContact O-CD 3.34Å; H317-P322 VanDerWaalsContact O-CG 3.23Å; H317-P322 WeakPolarHBondContact O-CG 3.29Å; H317-I338 HydrophobicContact CB-CD1 4.13Å
318S95.6Very high94.8Very high0 Ų014 Ų140%07%0.073CC..Iπ-helixtrans-91.7-27.2-178.769.20000113.8T238 V314T238-S318 WeakPolarHBondContact OG1-CB 3.45Å; T238-S318 PolarHBondContact OG1-OG 3Å; V314-S318 WeakPolarHBondContact O-CB 3.35Å; V314-S318 PolarHBondContact O-N 2.81Å; V314-S318 PolarHBondContact O-OG 2.82Å
319I95.7Very high94.8Very high0 Ų017 Ų170%010%0.104CC..Iπ-helixtrans-124.1-62.8-175-65.2162.5000111.6T238 W241 L242 L246 L315 F321 A323T238-I319 HydrophobicContact CG2-CD1 4.16Å; T238-I319 HydrophobicContact CG2-CG1 4.13Å; W241-I319 HydrophobicContact CB-CD1 3.55Å; W241-I319 HydrophobicContact CG-CD1 4.29Å; L242-I319 HydrophobicContact CD2-CD1 4.41Å; L242-I319 HydrophobicContact CG-CD1 4.35Å; L246-I319 HydrophobicContact CD1-CG2 3.53Å; L246-I319 HydrophobicContact CD2-CD1 4.25Å; L246-I319 HydrophobicContact CD2-CG2 4.01Å; L246-I319 HydrophobicContact CG-CG2 4.45Å; L315-I319 HydrophobicContact CD1-CB 4.07Å; L315-I319 HydrophobicContact CD1-CD1 3.78Å; L315-I319 HydrophobicContact CD1-CG1 4.48Å; L315-I319 HydrophobicContact CD1-CG2 4.43Å; L315-I319 WeakPolarHBondContact O-CB 3.43Å; L315-I319 PolarHBondContact O-N 2.71Å; I319-F321 PolarHBondContact O-N 3.19Å; I319-A323 WeakPolarHBondContact O-CB 3.5Å; I319-A323 PolarHBondContact O-N 3.2Å
320V95.2Very high94.9Very high14 Ų1421 Ų219%0.08512%0.122CC..Iπ-helixtrans-63.4-48.8-166.9-178.60000111.8L209 L315 F316 T324L209-V320 HydrophobicContact CD1-CG2 4.4Å; L315-V320 HydrophobicContact CD1-CG2 4.46Å; L315-V320 HydrophobicContact CG-CG2 4.17Å; L315-V320 PolarHBondContact O-N 2.83Å; L315-V320 VanDerWaalsContact O-N 3.08Å; F316-V320 HydrophobicContact CD1-CB 4.37Å; F316-V320 HydrophobicContact CD1-CG2 4.06Å; V320-T324 WeakPolarHBondContact O-CB 3.47Å; V320-T324 PolarHBondContact O-N 2.61Å; V320-T324 PolarHBondContact O-OG1 2.82Å
321F97.2Very high95Very high6 Ų624.8 Ų24.83%0.02615%0.146CC..Hα-helixtrans-69.2-49.1179.9-176.5-127.1000112T278 I279 I282 W297 F316 I319 A323 T324 L325T278-F321 HydrophobicContact CG2-CB 4.03Å; T278-F321 HydrophobicContact CG2-CG 4.31Å; T278-F321 WeakPolarHBondContact O-CZ 3.45Å; T278-F321 WeakPolarHBondContact OG1-CD2 3.46Å; T278-F321 WeakPolarHBondContact OG1-CG 3.49Å; I279-F321 HydrophobicContact CG1-CD2 4.46Å; I279-F321 HydrophobicContact CG1-CE2 4.01Å; I282-F321 HydrophobicContact CD1-CE2 4.39Å; I282-F321 HydrophobicContact CD1-CZ 4.02Å; I282-F321 HydrophobicContact CG1-CZ 4.31Å; W297-F321 HydrophobicContact CZ3-CE1 4.35Å; W297-F321 HydrophobicContact CZ3-CZ 4.47Å; F316-F321 WeakPolarHBondContact O-CB 3.31Å; F316-F321 PolarHBondContact O-N 2.97Å; I319-F321 PolarHBondContact O-N 3.19Å; F321-A323 VanDerWaalsContact C-N 3.32Å; F321-A323 PolarHBondContact O-N 2.86Å; F321-T324 WeakPolarHBondContact O-CB 3.38Å; F321-T324 PolarHBondContact O-N 3.06Å; F321-T324 VanDerWaalsContact O-N 3.11Å; F321-L325 HydrophobicContact CD1-CD1 4.16Å; F321-L325 HydrophobicContact CD2-CD1 4.46Å; F321-L325 HydrophobicContact CD2-CD2 4.45Å; F321-L325 HydrophobicContact CD2-CG 4.22Å; F321-L325 HydrophobicContact CE1-CD1 3.79Å; F321-L325 HydrophobicContact CE2-CD1 4.12Å; F321-L325 HydrophobicContact CE2-CD2 3.84Å; F321-L325 HydrophobicContact CE2-CG 4Å; F321-L325 HydrophobicContact CG-CD1 4.49Å; F321-L325 HydrophobicContact CZ-CD1 3.78Å; F321-L325 HydrophobicContact CZ-CD2 4.09Å; F321-L325 HydrophobicContact CZ-CG 4.17Å; F321-L325 WeakPolarHBondContact O-CG 3.18Å; F321-L325 PolarHBondContact O-N 2.92Å
322P96.7Very high95.4Very high2 Ų223.3 Ų23.31%0.01314%0.139CC..Hα-helixtrans-53.6-44.1171.3-32.339.5000114.1Y219 H317 T324 L325 L326 M334 V335Y219-P322 HydrophobicContact CD1-CB 4.41Å; Y219-P322 HydrophobicContact CE1-CB 4.09Å; Y219-P322 HydrophobicContact CE1-CG 4.4Å; H317-P322 WeakPolarHBondContact O-CD 3.34Å; H317-P322 VanDerWaalsContact O-CG 3.23Å; H317-P322 WeakPolarHBondContact O-CG 3.29Å; P322-T324 VanDerWaalsContact C-N 3.34Å; P322-T324 PolarHBondContact O-N 3.48Å; P322-L325 PolarHBondContact O-N 3.31Å; P322-L326 WeakPolarHBondContact O-CB 3.44Å; P322-L326 WeakPolarHBondContact O-CG 3.38Å; P322-L326 PolarHBondContact O-N 3.15Å; P322-M334 HydrophobicContact CB-CE 3.61Å; P322-M334 HydrophobicContact CG-CE 4.43Å; P322-V335 HydrophobicContact CG-CG1 4.29Å
323A97.7Very high95.8Very high0 Ų020.2 Ų20.20%012%0.123CC..Hα-helixtrans-60.6-44.4176.800000111.3L209 L212 V216 I319 F321 L326 A327L209-A323 HydrophobicContact CD2-CB 3.65Å; L212-A323 HydrophobicContact CB-CB 4.15Å; L212-A323 HydrophobicContact CD1-CB 4.01Å; V216-A323 HydrophobicContact CG2-CB 3.69Å; I319-A323 WeakPolarHBondContact O-CB 3.5Å; I319-A323 PolarHBondContact O-N 3.2Å; F321-A323 VanDerWaalsContact C-N 3.32Å; F321-A323 PolarHBondContact O-N 2.86Å; A323-L326 PolarHBondContact O-N 3.05Å; A323-A327 VanDerWaalsContact O-CB 3.24Å; A323-A327 WeakPolarHBondContact O-CB 3.34Å; A323-A327 PolarHBondContact O-N 3.39Å
324T97.9Very high95.9Very high0 Ų020.6 Ų20.60%013%0.125CC..Hα-helixtrans-59.8-46.5176.9-61.50000111.4I124 L128 F275 V320 F321 P322 A327 T328I124-T324 HydrophobicContact CG2-CG2 3.6Å; L128-T324 HydrophobicContact CD2-CG2 3.84Å; F275-T324 HydrophobicContact CE2-CG2 3.73Å; F275-T324 HydrophobicContact CZ-CG2 4.33Å; V320-T324 WeakPolarHBondContact O-CB 3.47Å; V320-T324 PolarHBondContact O-N 2.61Å; V320-T324 PolarHBondContact O-OG1 2.82Å; F321-T324 WeakPolarHBondContact O-CB 3.38Å; F321-T324 PolarHBondContact O-N 3.06Å; F321-T324 VanDerWaalsContact O-N 3.11Å; P322-T324 VanDerWaalsContact C-N 3.34Å; P322-T324 PolarHBondContact O-N 3.48Å; T324-A327 WeakPolarHBondContact O-CB 3.49Å; T324-A327 PolarHBondContact O-N 3.27Å; T324-T328 WeakPolarHBondContact O-CG2 3.3Å
325L97.4Very high95.9Very high2 Ų220.9 Ų20.91%0.0113%0.126CC..Hα-helixtrans-65.7-47178.1-62.9179.8000111.8I124 I282 F321 P322 A327 T328 Y332 M334I124-L325 HydrophobicContact CD1-CD2 4.34Å; I282-L325 HydrophobicContact CD1-CD2 4.27Å; F321-L325 HydrophobicContact CD1-CD1 4.16Å; F321-L325 HydrophobicContact CD2-CD1 4.46Å; F321-L325 HydrophobicContact CD2-CD2 4.45Å; F321-L325 HydrophobicContact CD2-CG 4.22Å; F321-L325 HydrophobicContact CE1-CD1 3.79Å; F321-L325 HydrophobicContact CE2-CD1 4.12Å; F321-L325 HydrophobicContact CE2-CD2 3.84Å; F321-L325 HydrophobicContact CE2-CG 4Å; F321-L325 HydrophobicContact CG-CD1 4.49Å; F321-L325 HydrophobicContact CZ-CD1 3.78Å; F321-L325 HydrophobicContact CZ-CD2 4.09Å; F321-L325 HydrophobicContact CZ-CG 4.17Å; F321-L325 WeakPolarHBondContact O-CG 3.18Å; F321-L325 PolarHBondContact O-N 2.92Å; P322-L325 PolarHBondContact O-N 3.31Å; L325-A327 VanDerWaalsContact C-N 3.25Å; L325-A327 PolarHBondContact O-N 3.49Å; L325-T328 WeakPolarHBondContact O-CB 3.37Å; L325-T328 PolarHBondContact O-N 3.11Å; L325-T328 VanDerWaalsContact O-N 3.1Å; L325-T328 PolarHBondContact O-OG1 3.28Å; L325-Y332 HydrophobicContact CB-CD2 4.31Å; L325-Y332 HydrophobicContact CB-CG 4.45Å; L325-Y332 HydrophobicContact CD2-CD1 4.08Å; L325-Y332 HydrophobicContact CD2-CD2 3.86Å; L325-Y332 HydrophobicContact CD2-CE1 4.45Å; L325-Y332 HydrophobicContact CD2-CE2 4.23Å; L325-Y332 HydrophobicContact CD2-CG 3.78Å; L325-Y332 HydrophobicContact CG-CG 4.47Å; L325-M334 HydrophobicContact CB-SD 3.95Å; L325-M334 HydrophobicContact CD1-SD 3.92Å
326L97.3Very high95.9Very high46 Ų4621 Ų2124%0.24113%0.128CC..Hα-helixtrans-60.3-35177.1-72.7167.9000112.3K215 V216 Y219 P322 A323 T328 G329 M334K215-L326 HydrophobicContact CB-CD1 4.37Å; V216-L326 HydrophobicContact CG2-CD1 4.23Å; Y219-L326 HydrophobicContact CG-CD1 4.45Å; P322-L326 WeakPolarHBondContact O-CB 3.44Å; P322-L326 WeakPolarHBondContact O-CG 3.38Å; P322-L326 PolarHBondContact O-N 3.15Å; A323-L326 PolarHBondContact O-N 3.05Å; L326-T328 PolarHBondContact O-N 3.14Å; L326-G329 PolarHBondContact O-N 3.4Å; L326-M334 HydrophobicContact CD1-CE 4.22Å; L326-M334 HydrophobicContact CD2-CE 4.29Å; L326-M334 HydrophobicContact CG-CE 3.88Å
327A97.7Very high95.8Very high0 Ų020 Ų200%012%0.124CC..Hα-helixtrans-64.1-25.517800000112.8L128 N131 Y133 L212 A323 T324 L325 G329L128-A327 HydrophobicContact CB-CB 3.63Å; N131-A327 PolarHBondContact ND2-O 3.37Å; Y133-A327 HydrophobicContact CD2-CB 3.59Å; Y133-A327 HydrophobicContact CE2-CB 4.23Å; Y133-A327 HydrophobicContact CG-CB 3.91Å; L212-A327 HydrophobicContact CD1-CB 3.97Å; L212-A327 HydrophobicContact CD2-CB 3.74Å; A323-A327 VanDerWaalsContact O-CB 3.24Å; A323-A327 WeakPolarHBondContact O-CB 3.34Å; A323-A327 PolarHBondContact O-N 3.39Å; T324-A327 WeakPolarHBondContact O-CB 3.49Å; T324-A327 PolarHBondContact O-N 3.27Å; L325-A327 VanDerWaalsContact C-N 3.25Å; L325-A327 PolarHBondContact O-N 3.49Å; A327-G329 VanDerWaalsContact C-N 3.3Å; A327-G329 PolarHBondContact O-N 3.36Å
328T97.6Very high95.7Very high4 Ų419.9 Ų19.93%0.02512%0.124CC..THydrogen-bonded Turntrans-73-21.3176.871.60000113.6I124 K127 N131 T324 L325 L326 Q330 Y332I124-T328 HydrophobicContact CB-CG2 4.4Å; I124-T328 HydrophobicContact CG1-CG2 4.48Å; I124-T328 HydrophobicContact CG2-CG2 3.9Å; K127-T328 HydrophobicContact CB-CG2 4.22Å; N131-T328 PolarHBondContact ND2-O 2.83Å; T324-T328 WeakPolarHBondContact O-CG2 3.3Å; L325-T328 WeakPolarHBondContact O-CB 3.37Å; L325-T328 PolarHBondContact O-N 3.11Å; L325-T328 VanDerWaalsContact O-N 3.1Å; L325-T328 PolarHBondContact O-OG1 3.28Å; L326-T328 PolarHBondContact O-N 3.14Å; T328-Q330 PolarHBondContact O-N 3.47Å; T328-Q330 WeakPolarHBondContact OG1-CB 3.14Å; T328-Q330 PolarHBondContact OG1-N 3.48Å; T328-Q330 VanDerWaalsContact OG1-N 3.14Å; T328-Y332 HydrophobicContact CG2-CE2 4.24Å
329G95.4Very high95.6Very high63 Ų6320 Ų2065%0.64913%0.125SC*.THydrogen-bonded Turntrans67.810-171.600000114.5L326 A327L326-G329 PolarHBondContact O-N 3.4Å; A327-G329 VanDerWaalsContact C-N 3.3Å; A327-G329 PolarHBondContact O-N 3.36Å
330Q95.2Very high95.4Very high83 Ų8320.1 Ų20.139%0.38813%0.125SC..SBendtrans-93.1152.7178.9-61.4-65.7-56.600111.1K127 M298 T328 Y332K127-Q330 HydrophobicContact CD-CG 4Å; M298-Q330 HydrophobicContact CE-CB 3.97Å; M298-Q330 HydrophobicContact CE-CG 4.38Å; T328-Q330 PolarHBondContact O-N 3.47Å; T328-Q330 WeakPolarHBondContact OG1-CB 3.14Å; T328-Q330 PolarHBondContact OG1-N 3.48Å; T328-Q330 VanDerWaalsContact OG1-N 3.14Å; Q330-Y332 HydrophobicContact CB-CD2 3.81Å; Q330-Y332 HydrophobicContact CB-CE2 3.74Å; Q330-Y332 HydrophobicContact CG-CE2 4.38Å; Q330-Y332 PolarHBondContact O-N 3.11Å
331P94.1Very high95.2Very high89 Ų8919.5 Ų19.558%0.57812%0.122SC*.  trans-80.260.8-176.635.1-37.5000111.7M298M298-P331 WeakPolarHBondContact CA-O 3.49Å
332Y96.7Very high94.9Very high14 Ų1420.6 Ų20.66%0.05513%0.127CC..PPolyproline II helixtrans-68.6147.6177.2-80.1-78.3000112.1I124 I282 W297 M298 L325 T328 Q330 M334I124-Y332 HydrophobicContact CG1-CE2 4.45Å; I124-Y332 WeakPolarHBondContact CG1-OH 3.24Å; I282-Y332 HydrophobicContact CD1-CD1 4.26Å; I282-Y332 HydrophobicContact CD1-CE1 4.03Å; W297-Y332 CarbonylContact O-C 3.58Å; W297-Y332 VanDerWaalsContact O-CA 3.22Å; W297-Y332 WeakPolarHBondContact O-CA 3.12Å; W297-Y332 VanDerWaalsContact O-CD1 3.29Å; W297-Y332 WeakPolarHBondContact O-CD1 3.37Å; M298-Y332 HydrophobicContact CE-CE1 4.25Å; M298-Y332 HydrophobicContact CE-CE2 4.35Å; M298-Y332 HydrophobicContact CG-CD1 3.66Å; M298-Y332 HydrophobicContact CG-CE1 3.61Å; M298-Y332 HydrophobicContact CG-CG 4.41Å; M298-Y332 HydrophobicContact SD-CD1 4.43Å; M298-Y332 HydrophobicContact SD-CE1 3.8Å; L325-Y332 HydrophobicContact CB-CD2 4.31Å; L325-Y332 HydrophobicContact CB-CG 4.45Å; L325-Y332 HydrophobicContact CD2-CD1 4.08Å; L325-Y332 HydrophobicContact CD2-CD2 3.86Å; L325-Y332 HydrophobicContact CD2-CE1 4.45Å; L325-Y332 HydrophobicContact CD2-CE2 4.23Å; L325-Y332 HydrophobicContact CD2-CG 3.78Å; L325-Y332 HydrophobicContact CG-CG 4.47Å; T328-Y332 HydrophobicContact CG2-CE2 4.24Å; Q330-Y332 HydrophobicContact CB-CD2 3.81Å; Q330-Y332 HydrophobicContact CB-CE2 3.74Å; Q330-Y332 HydrophobicContact CG-CE2 4.38Å; Q330-Y332 PolarHBondContact O-N 3.11Å; Y332-M334 WeakPolarHBondContact O-CG 3.36Å; Y332-M334 PolarHBondContact O-N 3.33Å
333T95.9Very high94.6Very high15 Ų1525.4 Ų25.49%0.09215%0.146CC..PPolyproline II helixtrans-64.1116.5167.8-58.60000108.9W296 W297 V303 L305W296-T333 WeakPolarHBondContact O-CB 3.43Å; W296-T333 PolarHBondContact O-OG1 2.74Å; W297-T333 WeakPolarHBondContact CA-OG1 3.36Å; W297-T333 PolarHBondContact O-N 2.88Å; W297-T333 PolarHBondContact O-OG1 3.08Å; V303-T333 HydrophobicContact CB-CG2 3.86Å; V303-T333 HydrophobicContact CG1-CG2 3.88Å; L305-T333 HydrophobicContact CB-CG2 4.09Å
334M94.2Very high94.5Very high37 Ų3726 Ų2618%0.18215%0.149CC..PPolyproline II helixtrans-94.5153.1-179.4-56.9-62.9-70.800111Y219 P322 L325 L326 Y332 S336Y219-M334 HydrophobicContact CD1-CE 4.35Å; Y219-M334 HydrophobicContact CD2-CB 4.49Å; Y219-M334 HydrophobicContact CD2-CE 4.3Å; Y219-M334 HydrophobicContact CE1-CE 4.12Å; Y219-M334 HydrophobicContact CE2-CB 3.5Å; Y219-M334 VanDerWaalsContact CE2-CB 3.5Å; Y219-M334 HydrophobicContact CE2-CE 4.05Å; Y219-M334 HydrophobicContact CE2-CG 3.96Å; Y219-M334 HydrophobicContact CG-CE 4.43Å; Y219-M334 WeakPolarHBondContact OH-CB 3.44Å; P322-M334 HydrophobicContact CB-CE 3.61Å; P322-M334 HydrophobicContact CG-CE 4.43Å; L325-M334 HydrophobicContact CB-SD 3.95Å; L325-M334 HydrophobicContact CD1-SD 3.92Å; L326-M334 HydrophobicContact CD1-CE 4.22Å; L326-M334 HydrophobicContact CD2-CE 4.29Å; L326-M334 HydrophobicContact CG-CE 3.88Å; Y332-M334 WeakPolarHBondContact O-CG 3.36Å; Y332-M334 PolarHBondContact O-N 3.33Å; M334-S336 PolarHBondContact O-N 2.97Å; M334-S336 VanDerWaalsContact O-N 3.15Å
335V94Very high94.3Very high6 Ų627.6 Ų27.64%0.03616%0.158CC..EExtended strand (participates in β ladder)trans-61116.7-179.7610000111.5Y219 L223 W230 L305 N307 P322 H337 I338Y219-V335 WeakPolarHBondContact OH-CG1 3.39Å; Y219-V335 PolarHBondContact OH-N 3.42Å; Y219-V335 PolarHBondContact OH-O 3.12Å; L223-V335 WeakPolarHBondContact CD2-O 3.5Å; W230-V335 HydrophobicContact CZ2-CG1 4.14Å; L305-V335 HydrophobicContact CD2-CB 4.2Å; L305-V335 HydrophobicContact CG-CB 4.43Å; N307-V335 HydrophobicContact CB-CG2 4.29Å; N307-V335 WeakPolarHBondContact OD1-CG2 3.46Å; P322-V335 HydrophobicContact CG-CG1 4.29Å; V335-H337 WeakPolarHBondContact CG2-O 3.42Å; V335-I338 HydrophobicContact CG1-CD1 4.34Å; V335-I338 HydrophobicContact CG1-CG1 4.48Å; V335-I338 HydrophobicContact CG2-CD1 4.28Å; V335-I338 HydrophobicContact CG2-CG1 3.6Å
336S92.8Very high94.1Very high21 Ų2129.4 Ų29.415%0.14717%0.165CC..EExtended strand (participates in β ladder)trans-81.4-42.4177.6-52.20000110.7A228 W230 E304 L305 M334A228-S336 WeakPolarHBondContact CB-O 3.32Å; W230-S336 PolarHBondContact NE1-O 3.33Å; E304-S336 WeakPolarHBondContact CA-OG 3.44Å; L305-S336 PolarHBondContact N-OG 3.42Å; L305-S336 WeakPolarHBondContact O-CA 3.21Å; L305-S336 WeakPolarHBondContact O-CB 3.35Å; L305-S336 PolarHBondContact O-N 2.97Å; M334-S336 PolarHBondContact O-N 2.97Å; M334-S336 VanDerWaalsContact O-N 3.15Å
337H92.8Very high93.8Very high15 Ų1529.9 Ų29.97%0.06917%0.166CC..EExtended strand (participates in β ladder)trans-137.2134.2-174.1-60.7-85.4000111.8V229 L305 Y306 N307 V335V229-H337 PolarHBondContact N-CE1 2.81Å; V229-H337 PolarHBondContact N-ND1 3Å; V229-H337 PolarHBondContact O-ND1 3.2Å; L305-H337 PolarHBondContact O-N 3.1Å; Y306-H337 WeakPolarHBondContact CA-O 3.43Å; Y306-H337 HydrophobicContact CD1-CB 3.38Å; Y306-H337 AromaticContact CD1-CG 3.83Å; Y306-H337 HydrophobicContact CE1-CB 3.48Å; Y306-H337 VanDerWaalsContact CE1-CB 3.48Å; Y306-H337 AromaticContact CE1-CD2 3.38Å; Y306-H337 WeakPolarHBondContact CE1-CD2 3.27Å; Y306-H337 AromaticContact CE1-CG 3.36Å; Y306-H337 AromaticContact CE2-CD2 3.5Å; Y306-H337 HydrophobicContact CG-CB 3.95Å; Y306-H337 AromaticContact CZ-CD2 3.11Å; Y306-H337 AromaticContact CZ-CG 3.64Å; Y306-H337 AromaticContact CZ-NE2 3.66Å; Y306-H337 PolarHBondContact OH-CD2 3.06Å; Y306-H337 VanDerWaalsContact OH-CD2 3.32Å; Y306-H337 PolarHBondContact OH-NE2 2.87Å; N307-H337 PolarHBondContact N-O 2.93Å; V335-H337 WeakPolarHBondContact CG2-O 3.42Å
338I93.2Very high93.4Very high0 Ų037.4 Ų37.40%021%0.207CC..EExtended strand (participates in β ladder)trans-113.3123.8170.1-61.7-176.2000109.1W230 S231 A234 V309 H317 V335 A340 N418W230-I338 WeakPolarHBondContact CA-O 3.23Å; W230-I338 HydrophobicContact CD2-CB 3.97Å; W230-I338 HydrophobicContact CD2-CD1 4.29Å; W230-I338 HydrophobicContact CD2-CG1 4.1Å; W230-I338 HydrophobicContact CE3-CB 4.26Å; W230-I338 HydrophobicContact CE3-CD1 4.08Å; W230-I338 HydrophobicContact CE3-CG1 4.35Å; W230-I338 HydrophobicContact CG-CB 4.22Å; W230-I338 HydrophobicContact CH2-CD1 3.5Å; W230-I338 HydrophobicContact CH2-CG1 4.18Å; W230-I338 HydrophobicContact CZ2-CD1 3.74Å; W230-I338 HydrophobicContact CZ2-CG1 3.91Å; W230-I338 HydrophobicContact CZ3-CD1 3.7Å; W230-I338 HydrophobicContact CZ3-CG1 4.4Å; S231-I338 PolarHBondContact N-O 3.04Å; A234-I338 HydrophobicContact CB-CB 4.39Å; A234-I338 HydrophobicContact CB-CG2 3.87Å; V309-I338 HydrophobicContact CG2-CG2 3.93Å; H317-I338 HydrophobicContact CB-CD1 4.13Å; V335-I338 HydrophobicContact CG1-CD1 4.34Å; V335-I338 HydrophobicContact CG1-CG1 4.48Å; V335-I338 HydrophobicContact CG2-CD1 4.28Å; V335-I338 HydrophobicContact CG2-CG1 3.6Å; I338-A340 HydrophobicContact CG2-CB 4.37Å; I338-N418 PolarHBondContact O-ND2 3.04Å
339S93.2Very high92.9Very high4 Ų439.3 Ų39.33%0.02822%0.219CC..EExtended strand (participates in β ladder)trans-106100.6166.8-165.90000108.5N307 F308 V309 R382 N418N307-S339 PolarHBondContact O-N 2.87Å; F308-S339 WeakPolarHBondContact CA-O 3.36Å; V309-S339 PolarHBondContact N-O 3.19Å; S339-R382 PolarHBondContact OG-NH2 2.92Å; S339-R382 VanDerWaalsContact OG-NH2 3.12Å; S339-N418 WeakPolarHBondContact CB-ND2 3.24Å
340A91.9Very high92.4Very high1 Ų143.4 Ų43.41%0.00822%0.218CC..EExtended strand (participates in β ladder)trans-101.2130.8175.800000111.3S231 N233 A234 V309 V314 I338S231-A340 WeakPolarHBondContact OG-CB 3.2Å; S231-A340 PolarHBondContact OG-N 3.45Å; S231-A340 PolarHBondContact OG-O 2.86Å; N233-A340 PolarHBondContact ND2-O 2.78Å; N233-A340 PolarHBondContact OD1-O 3.32Å; A234-A340 HydrophobicContact CB-CB 3.9Å; V309-A340 HydrophobicContact CG2-CB 3.98Å; V309-A340 VanDerWaalsContact O-CA 3.24Å; V309-A340 WeakPolarHBondContact O-CA 3.49Å; V314-A340 HydrophobicContact CG2-CB 3.52Å; I338-A340 HydrophobicContact CG2-CB 4.37Å
341T90.1Very high92.1Very high2 Ų240.9 Ų40.91%0.01221%0.206CC..EExtended strand (participates in β ladder)trans-97.7152172.361.20000112.3G41 V309 K311 R382 P383G41-T341 WeakPolarHBondContact CA-OG1 3.47Å; V309-T341 PolarHBondContact O-N 2.88Å; K311-T341 PolarHBondContact N-O 2.84Å; T341-R382 HydrophobicContact CG2-CG 4.47Å; T341-R382 VanDerWaalsContact CG2-CZ 3.41Å; T341-P383 WeakPolarHBondContact CA-O 3.5Å; T341-P383 WeakPolarHBondContact CB-O 3.41Å
342E90.9Very high91.4Very high28 Ų2837.3 Ų37.313%0.13118%0.183CC..  trans-70.3-179161.1-61.9-58.9131.300110.7N233 K311 P383 Q386 D387N233-E342 WeakPolarHBondContact CB-OE1 3.39Å; N233-E342 PolarHBondContact ND2-OE1 2.9Å; K311-E342 VanDerWaalsContact CD-OE2 3.23Å; K311-E342 WeakPolarHBondContact CD-OE2 3.43Å; K311-E342 WeakPolarHBondContact CE-OE2 3.4Å; K311-E342 IonicContact NZ-OE2 2.79Å; K311-E342 PolarHBondContact NZ-OE2 3.5Å; E342-P383 HydrophobicContact CB-CB 4.02Å; E342-P383 PolarHBondContact N-O 2.73Å; E342-P383 VanDerWaalsContact O-CG 3.27Å; E342-P383 WeakPolarHBondContact O-CG 3.43Å; E342-Q386 VanDerWaalsContact CB-C 3.45Å; E342-D387 WeakPolarHBondContact CB-OD1 3.35Å
343Y91.8Very high90.5Very high103 Ų10341.9 Ų41.940%0.40420%0.204SC..PPolyproline II helixtrans-82.4143.6-177.8-64.4-52.1000112K311 D387 S388K311-Y343 HydrophobicContact CD-CE2 4.28Å; K311-Y343 HydrophobicContact CG-CE1 4.33Å; K311-Y343 HydrophobicContact CG-CE2 4.44Å; Y343-D387 PolarHBondContact N-OD1 3.38Å; Y343-D387 VanDerWaalsContact O-CA 3.23Å; Y343-D387 WeakPolarHBondContact O-CA 3.47Å; Y343-D387 WeakPolarHBondContact O-CB 3.49Å; Y343-S388 PolarHBondContact O-N 2.91Å
344L94.7Very high89.5Confident12 Ų1246.8 Ų46.86%0.06324%0.239CC..EExtended strand (participates in β ladder)trans-90.9120.8159.4-178.168.2000108.2L36 I40 F351 L378 I381 P383 S388 F390L36-L344 HydrophobicContact CB-CD2 4.19Å; I40-L344 HydrophobicContact CG2-CB 4.09Å; I40-L344 HydrophobicContact CG2-CD2 3.87Å; L344-F351 HydrophobicContact CB-CE2 4.48Å; L344-F351 HydrophobicContact CD2-CE2 4.32Å; L344-F351 HydrophobicContact CD2-CZ 4.26Å; L344-F351 HydrophobicContact CG-CE2 4.14Å; L344-F351 HydrophobicContact CG-CZ 4.49Å; L344-F351 WeakPolarHBondContact O-CD2 3.29Å; L344-F351 WeakPolarHBondContact O-CE2 3.48Å; L344-L378 HydrophobicContact CD2-CD2 3.73Å; L344-I381 HydrophobicContact CD1-CD1 3.69Å; L344-I381 HydrophobicContact CD1-CG1 4.49Å; L344-P383 HydrophobicContact CB-CG 4.41Å; L344-S388 CarbonylContact C-O 3.57Å; L344-S388 WeakPolarHBondContact CA-O 3.44Å; L344-F390 HydrophobicContact CD1-CB 4.28Å; L344-F390 HydrophobicContact CD2-CB 4.44Å
345T93.8Very high88.6Confident34 Ų3453 Ų5321%0.20926%0.26CS..EExtended strand (participates in β ladder)trans-91.6169.4168.8590000110.5T349 S388 S389 F390T345-T349 WeakPolarHBondContact CB-O 3.44Å; T345-S388 PolarHBondContact N-O 3.23Å; T345-S388 PolarHBondContact OG1-O 3.42Å; T345-S389 WeakPolarHBondContact OG1-CA 3.25Å; T345-S389 VanDerWaalsContact OG1-CB 3.26Å; T345-S389 WeakPolarHBondContact OG1-CB 3.49Å; T345-S389 PolarHBondContact OG1-OG 3.03Å; T345-F390 PolarHBondContact O-N 2.97Å
346Y93Very high88Confident40 Ų4055.9 Ų55.916%0.15729%0.291CS..EExtended strand (participates in β ladder)trans-120.4114.5178.1-179.7-98.2000109.2D348 T349 F351 I357 V359 F390 W392Y346-D348 PolarHBondContact O-N 3.43Å; Y346-T349 CarbonylContact C-O 3.47Å; Y346-T349 PolarHBondContact N-O 3.24Å; Y346-T349 CarbonylContact O-C 3.52Å; Y346-T349 VanDerWaalsContact O-CG2 3.29Å; Y346-T349 WeakPolarHBondContact O-CG2 3.31Å; Y346-T349 PolarHBondContact O-N 3.22Å; Y346-F351 HydrophobicContact CD2-CE1 4.21Å; Y346-F351 HydrophobicContact CD2-CZ 4.34Å; Y346-F351 HydrophobicContact CG-CE1 4.43Å; Y346-I357 HydrophobicContact CD1-CG2 3.96Å; Y346-I357 HydrophobicContact CE1-CG2 4.48Å; Y346-V359 HydrophobicContact CE2-CG2 3.92Å; Y346-F390 HydrophobicContact CD2-CB 4.28Å; Y346-F390 AromaticContact CD2-CD1 3.64Å; Y346-F390 HydrophobicContact CD2-CD1 3.64Å; Y346-F390 HydrophobicContact CD2-CE1 4.43Å; Y346-F390 HydrophobicContact CD2-CG 4.25Å; Y346-F390 AromaticContact CE2-CD1 3.57Å; Y346-F390 HydrophobicContact CE2-CD1 3.57Å; Y346-F390 AromaticContact CE2-CE1 3.93Å; Y346-F390 HydrophobicContact CE2-CE1 3.93Å; Y346-W392 AromaticContact CE2-NE1 3.89Å; Y346-W392 AromaticContact CZ-NE1 3.73Å; Y346-W392 PolarHBondContact OH-NE1 2.78Å
347E91.7Very high87.7Confident56 Ų5657.1 Ų57.126%0.26230%0.295SS..THydrogen-bonded Turntrans53.9-117.1-172.4-60.1-68174.500111S389 F390 N391 W392E347-S389 PolarHBondContact N-OG 3Å; E347-S389 PolarHBondContact O-OG 2.84Å; E347-F390 WeakPolarHBondContact CA-O 3.33Å; E347-F390 PolarHBondContact N-O 3.26Å; E347-N391 WeakPolarHBondContact OE1-CA 3.24Å; E347-N391 PolarHBondContact OE2-ND2 3.43Å; E347-W392 PolarHBondContact OE1-N 3.46Å
348D87.8Confident87.5Confident158 Ų15857 Ų5785%0.84530%0.298SS*.THydrogen-bonded Turntrans-98.910178.462.6-24.4000113.2Y346Y346-D348 PolarHBondContact O-N 3.43Å
349T86.9Confident87.4Confident45 Ų4557.4 Ų57.428%0.27630%0.3SS..BIsolated β-bridgetrans-141.2177.5-170.7-171.60000113.7T345 Y346 I357T345-T349 WeakPolarHBondContact CB-O 3.44Å; Y346-T349 CarbonylContact C-O 3.47Å; Y346-T349 PolarHBondContact N-O 3.24Å; Y346-T349 CarbonylContact O-C 3.52Å; Y346-T349 VanDerWaalsContact O-CG2 3.29Å; Y346-T349 WeakPolarHBondContact O-CG2 3.31Å; Y346-T349 PolarHBondContact O-N 3.22Å; T349-I357 HydrophobicContact CG2-CG2 3.45Å; T349-I357 VanDerWaalsContact CG2-CG2 3.45Å
350K86.3Confident87.4Confident148 Ų14857.6 Ų57.664%0.64330%0.301SS*.  trans-89.8149.7175.4-65.9-176.6179.4-179.50110.5S352K350-S352 PolarHBondContact O-N 2.97Å
351F87.6Confident87.3Confident30 Ų3057.6 Ų57.613%0.13230%0.3CS..  trans-52.9133.9167.7-70.3-90000110.3H35 L36 L344 Y346H35-F351 HydrophobicContact CB-CB 4.49Å; H35-F351 HydrophobicContact CB-CD1 3.67Å; H35-F351 HydrophobicContact CB-CE1 4.1Å; H35-F351 HydrophobicContact CB-CG 4.15Å; H35-F351 AromaticContact CE1-CD2 3.78Å; H35-F351 AromaticContact CE1-CG 3.87Å; H35-F351 AromaticContact CG-CD1 3.83Å; H35-F351 AromaticContact CG-CG 3.78Å; H35-F351 AromaticContact ND1-CD1 3.64Å; H35-F351 AromaticContact ND1-CD2 3.41Å; H35-F351 WeakPolarHBondContact ND1-CD2 3.33Å; H35-F351 AromaticContact ND1-CE2 3.85Å; H35-F351 AromaticContact ND1-CG 3.3Å; H35-F351 VanDerWaalsContact ND1-CG 3.3Å; H35-F351 WeakPolarHBondContact ND1-CG 3.37Å; L36-F351 HydrophobicContact CB-CE1 4.28Å; L36-F351 HydrophobicContact CB-CZ 4.06Å; L344-F351 HydrophobicContact CB-CE2 4.48Å; L344-F351 HydrophobicContact CD2-CE2 4.32Å; L344-F351 HydrophobicContact CD2-CZ 4.26Å; L344-F351 HydrophobicContact CG-CE2 4.14Å; L344-F351 HydrophobicContact CG-CZ 4.49Å; L344-F351 WeakPolarHBondContact O-CD2 3.29Å; L344-F351 WeakPolarHBondContact O-CE2 3.48Å; Y346-F351 HydrophobicContact CD2-CE1 4.21Å; Y346-F351 HydrophobicContact CD2-CZ 4.34Å; Y346-F351 HydrophobicContact CG-CE1 4.43Å
352S81Confident87.3Confident14 Ų1459 Ų5910%0.09831%0.309CS..BIsolated β-bridgetrans-149.8108.3-179179.40000110.6K350 S354 R355 G356 I357K350-S352 PolarHBondContact O-N 2.97Å; S352-S354 PolarHBondContact OG-OG 2.82Å; S352-R355 PolarHBondContact O-N 3.47Å; S352-R355 PolarHBondContact OG-N 3.08Å; S352-R355 PolarHBondContact OG-NE 2.88Å; S352-G356 PolarHBondContact O-N 3.29Å; S352-G356 VanDerWaalsContact O-N 3.1Å; S352-I357 PolarHBondContact N-O 3.48Å; S352-I357 PolarHBondContact O-N 3.36Å
353K77Confident87.3Confident111 Ų11160 Ų6048%0.48332%0.315SS..THydrogen-bonded Turntrans-67.4-41.7178.6-169.464.8-179.1179.30111.8R355 G356 F360K353-R355 PolarHBondContact O-N 3.03Å; K353-G356 PolarHBondContact O-N 3.26Å; K353-G356 VanDerWaalsContact O-N 3.09Å; K353-F360 HydrophobicContact CB-CE1 4Å; K353-F360 HydrophobicContact CB-CE2 4.43Å; K353-F360 HydrophobicContact CB-CZ 3.64Å; K353-F360 HydrophobicContact CD-CD1 4.08Å; K353-F360 HydrophobicContact CD-CD2 4.08Å; K353-F360 HydrophobicContact CD-CE1 3.74Å; K353-F360 HydrophobicContact CD-CE2 3.76Å; K353-F360 HydrophobicContact CD-CG 4.26Å; K353-F360 HydrophobicContact CD-CZ 3.58Å; K353-F360 HydrophobicContact CG-CE1 4.34Å; K353-F360 HydrophobicContact CG-CZ 4.2Å
354S74.1Confident87.2Confident118 Ų11855 Ų5583%0.82530%0.296SS*.THydrogen-bonded Turntrans-61.9-30.8179.8540000113.2S352S352-S354 PolarHBondContact OG-OG 2.82Å
355R75.2Confident86.9Confident167 Ų16757.3 Ų57.363%0.6331%0.306SS*.THydrogen-bonded Turntrans-96.6-0.1176.3-62.7-171.4-69-117.71.8114S352 K353 I357S352-R355 PolarHBondContact O-N 3.47Å; S352-R355 PolarHBondContact OG-N 3.08Å; S352-R355 PolarHBondContact OG-NE 2.88Å; K353-R355 PolarHBondContact O-N 3.03Å; R355-I357 VanDerWaalsContact C-N 3.26Å; R355-I357 HydrophobicContact CB-CD1 3.78Å; R355-I357 HydrophobicContact CB-CG1 3.85Å; R355-I357 PolarHBondContact O-N 3.3Å
356G81.3Confident86.6Confident66 Ų6662.5 Ų62.568%0.6833%0.328SS*.THydrogen-bonded Turntrans62.231.5-175.700000113.7S352 K353S352-G356 PolarHBondContact O-N 3.29Å; S352-G356 VanDerWaalsContact O-N 3.1Å; K353-G356 PolarHBondContact O-N 3.26Å; K353-G356 VanDerWaalsContact O-N 3.09Å
357I86.2Confident86.2Confident48 Ų4861.1 Ų61.125%0.24632%0.324CS..BIsolated β-bridgetrans-103.6122.9-177.2-60.6176.5000109.7Y346 T349 S352 R355Y346-I357 HydrophobicContact CD1-CG2 3.96Å; Y346-I357 HydrophobicContact CE1-CG2 4.48Å; T349-I357 HydrophobicContact CG2-CG2 3.45Å; T349-I357 VanDerWaalsContact CG2-CG2 3.45Å; S352-I357 PolarHBondContact N-O 3.48Å; S352-I357 PolarHBondContact O-N 3.36Å; R355-I357 VanDerWaalsContact C-N 3.26Å; R355-I357 HydrophobicContact CB-CD1 3.78Å; R355-I357 HydrophobicContact CB-CG1 3.85Å; R355-I357 PolarHBondContact O-N 3.3Å
358G88.9Confident85.7Confident12 Ų1261.8 Ų61.812%0.12434%0.335CS..SBendtrans103.9166.3177.200000113.5
359V91.7Very high85.7Confident9 Ų954.5 Ų54.56%0.05530%0.296CS..  trans-91.6124.1176.4178.30000109.3L36 Y346 D363 A364 W374 W392L36-V359 HydrophobicContact CD1-CB 3.76Å; L36-V359 HydrophobicContact CD1-CG1 3.9Å; L36-V359 HydrophobicContact CD2-CG1 4.13Å; L36-V359 HydrophobicContact CG-CB 3.97Å; L36-V359 HydrophobicContact CG-CG1 3.99Å; L36-V359 WeakPolarHBondContact CG-O 3.45Å; L36-V359 PolarHBondContact N-O 3.04Å; Y346-V359 HydrophobicContact CE2-CG2 3.92Å; V359-D363 HydrophobicContact CG1-CB 4.31Å; V359-A364 HydrophobicContact CG1-CB 4.07Å; V359-W374 HydrophobicContact CG1-CH2 4.1Å; V359-W374 HydrophobicContact CG1-CZ3 4.34Å; V359-W374 HydrophobicContact CG2-CH2 4.5Å; V359-W392 HydrophobicContact CG2-CH2 4.45Å; V359-W392 HydrophobicContact CG2-CZ2 3.63Å
360F92.8Very high85.8Confident8 Ų856 Ų564%0.03531%0.306CS..BIsolated β-bridgetrans-94.5163.2170.8-68.1-101.3000111.2V33 H35 K353 T362 D363 A364V33-F360 HydrophobicContact CB-CD1 3.97Å; V33-F360 HydrophobicContact CG1-CB 3.76Å; V33-F360 HydrophobicContact CG1-CD1 3.88Å; V33-F360 HydrophobicContact CG1-CG 4.22Å; V33-F360 WeakPolarHBondContact O-CD1 3.43Å; H35-F360 HydrophobicContact CB-CD1 3.75Å; H35-F360 HydrophobicContact CB-CE1 3.8Å; H35-F360 HydrophobicContact CB-CG 4.25Å; H35-F360 HydrophobicContact CB-CZ 4.32Å; K353-F360 HydrophobicContact CB-CE1 4Å; K353-F360 HydrophobicContact CB-CE2 4.43Å; K353-F360 HydrophobicContact CB-CZ 3.64Å; K353-F360 HydrophobicContact CD-CD1 4.08Å; K353-F360 HydrophobicContact CD-CD2 4.08Å; K353-F360 HydrophobicContact CD-CE1 3.74Å; K353-F360 HydrophobicContact CD-CE2 3.76Å; K353-F360 HydrophobicContact CD-CG 4.26Å; K353-F360 HydrophobicContact CD-CZ 3.58Å; K353-F360 HydrophobicContact CG-CE1 4.34Å; K353-F360 HydrophobicContact CG-CZ 4.2Å; F360-T362 PolarHBondContact O-N 3.32Å; F360-D363 VanDerWaalsContact CB-OD2 3.29Å; F360-D363 WeakPolarHBondContact CB-OD2 3.2Å; F360-D363 WeakPolarHBondContact CD2-OD2 3.48Å; F360-D363 PolarHBondContact N-OD2 2.7Å; F360-D363 WeakPolarHBondContact O-CB 3.48Å; F360-D363 PolarHBondContact O-N 3.18Å; F360-A364 PolarHBondContact O-N 3.19Å
361G90.3Very high86.1Confident0 Ų049.7 Ų49.70%028%0.281CS..Hα-helixtrans-58.2-36.8-178.800000112.9P34 Q365P34-G361 PolarHBondContact O-N 2.75Å; G361-Q365 WeakPolarHBondContact O-CG 3.4Å; G361-Q365 PolarHBondContact O-N 2.99Å
362T90.9Very high86.1Confident32 Ų3248.5 Ų48.520%0.19628%0.277CS..Hα-helixtrans-63.9-45.3172.149.70000111.6V33 L94 V98 F360 A364 Q365 E366V33-T362 HydrophobicContact CG1-CG2 4.1Å; L94-T362 HydrophobicContact CD1-CG2 4.24Å; L94-T362 HydrophobicContact CD2-CG2 4.29Å; L94-T362 HydrophobicContact CG-CG2 4.2Å; V98-T362 HydrophobicContact CG2-CG2 4.08Å; F360-T362 PolarHBondContact O-N 3.32Å; T362-A364 VanDerWaalsContact C-N 3.3Å; T362-A364 PolarHBondContact O-N 2.96Å; T362-Q365 WeakPolarHBondContact O-CB 3.1Å; T362-Q365 PolarHBondContact O-N 3.35Å; T362-Q365 VanDerWaalsContact O-N 3.16Å; T362-E366 PolarHBondContact O-N 3.31Å
363D90.4Very high86.4Confident48 Ų4848.5 Ų48.526%0.25728%0.275SS..Hα-helixtrans-65.6-37.3-177-43.7-18.4000110.5V359 F360 Q365 E366 T367V359-D363 HydrophobicContact CG1-CB 4.31Å; F360-D363 VanDerWaalsContact CB-OD2 3.29Å; F360-D363 WeakPolarHBondContact CB-OD2 3.2Å; F360-D363 WeakPolarHBondContact CD2-OD2 3.48Å; F360-D363 PolarHBondContact N-OD2 2.7Å; F360-D363 WeakPolarHBondContact O-CB 3.48Å; F360-D363 PolarHBondContact O-N 3.18Å; D363-Q365 VanDerWaalsContact C-N 3.3Å; D363-Q365 PolarHBondContact O-N 3.38Å; D363-E366 PolarHBondContact O-N 3.41Å; D363-E366 VanDerWaalsContact O-N 3.17Å; D363-T367 VanDerWaalsContact O-CG2 3.28Å; D363-T367 WeakPolarHBondContact O-CG2 3.14Å; D363-T367 PolarHBondContact O-N 3.12Å
364A89.8Confident87.2Confident0 Ų043.2 Ų43.20%025%0.252CS..Hα-helixtrans-58.5-40.3175.700000112.2L36 W101 F102 V359 F360 T362 E366 T367 W374L36-A364 HydrophobicContact CD2-CB 4.44Å; W101-A364 HydrophobicContact CH2-CB 4.28Å; W101-A364 WeakPolarHBondContact CH2-O 3.48Å; W101-A364 HydrophobicContact CZ3-CB 3.99Å; F102-A364 HydrophobicContact CE2-CB 4.03Å; F102-A364 HydrophobicContact CZ-CB 4.05Å; V359-A364 HydrophobicContact CG1-CB 4.07Å; F360-A364 PolarHBondContact O-N 3.19Å; T362-A364 VanDerWaalsContact C-N 3.3Å; T362-A364 PolarHBondContact O-N 2.96Å; A364-E366 VanDerWaalsContact C-N 3.31Å; A364-E366 PolarHBondContact O-N 3.32Å; A364-T367 PolarHBondContact O-N 3.25Å; A364-T367 PolarHBondContact O-OG1 2.92Å; A364-W374 HydrophobicContact CB-CD2 4.41Å; A364-W374 HydrophobicContact CB-CZ2 4.32Å
365Q88Confident88Confident59 Ų5937.6 Ų37.628%0.27621%0.213SC..Hα-helixtrans-62.1-39.9176.8-61.7-178.4-12.800112.1D97 W101 G361 T362 D363 T367 S368D97-Q365 PolarHBondContact O-NE2 3.29Å; D97-Q365 VanDerWaalsContact O-NE2 3.12Å; W101-Q365 HydrophobicContact CB-CG 4.05Å; W101-Q365 HydrophobicContact CD2-CB 4.28Å; W101-Q365 HydrophobicContact CD2-CG 3.48Å; W101-Q365 VanDerWaalsContact CD2-CG 3.48Å; W101-Q365 HydrophobicContact CE3-CG 3.77Å; W101-Q365 HydrophobicContact CG-CG 3.59Å; W101-Q365 HydrophobicContact CZ2-CB 4.45Å; W101-Q365 HydrophobicContact CZ2-CG 4.44Å; W101-Q365 HydrophobicContact CZ3-CG 4.34Å; G361-Q365 WeakPolarHBondContact O-CG 3.4Å; G361-Q365 PolarHBondContact O-N 2.99Å; T362-Q365 WeakPolarHBondContact O-CB 3.1Å; T362-Q365 PolarHBondContact O-N 3.35Å; T362-Q365 VanDerWaalsContact O-N 3.16Å; D363-Q365 VanDerWaalsContact C-N 3.3Å; D363-Q365 PolarHBondContact O-N 3.38Å; Q365-T367 VanDerWaalsContact C-N 3.29Å; Q365-T367 PolarHBondContact O-N 3.24Å; Q365-S368 PolarHBondContact O-N 2.89Å
366E88.4Confident88.5Confident144 Ų14429.6 Ų29.667%0.67318%0.183SC*.Hα-helixtrans-74-20.5-178.2-65.1178179.600112.6T362 D363 A364 S368T362-E366 PolarHBondContact O-N 3.31Å; D363-E366 PolarHBondContact O-N 3.41Å; D363-E366 VanDerWaalsContact O-N 3.17Å; A364-E366 VanDerWaalsContact C-N 3.31Å; A364-E366 PolarHBondContact O-N 3.32Å; E366-S368 PolarHBondContact O-N 2.75Å; E366-S368 VanDerWaalsContact O-N 3.1Å
367T83.9Confident88.9Confident10 Ų1026.5 Ų26.56%0.06115%0.151CC..THydrogen-bonded Turntrans-64.5-15.9177.268.80000114.1D363 A364 Q365 I369 W374 F524 F528D363-T367 VanDerWaalsContact O-CG2 3.28Å; D363-T367 WeakPolarHBondContact O-CG2 3.14Å; D363-T367 PolarHBondContact O-N 3.12Å; A364-T367 PolarHBondContact O-N 3.25Å; A364-T367 PolarHBondContact O-OG1 2.92Å; Q365-T367 VanDerWaalsContact C-N 3.29Å; Q365-T367 PolarHBondContact O-N 3.24Å; T367-I369 PolarHBondContact O-N 3.39Å; T367-I369 WeakPolarHBondContact OG1-CB 3.48Å; T367-I369 PolarHBondContact OG1-N 3.13Å; T367-W374 HydrophobicContact CG2-CH2 4.49Å; T367-W374 HydrophobicContact CG2-CZ2 3.83Å; T367-W374 WeakPolarHBondContact OG1-CZ2 3.38Å; T367-F524 WeakPolarHBondContact O-CE1 3.39Å; T367-F528 VanDerWaalsContact CA-CE2 3.44Å; T367-F528 HydrophobicContact CG2-CZ 4.16Å; T367-F528 VanDerWaalsContact O-CD2 3.28Å; T367-F528 WeakPolarHBondContact O-CD2 3.47Å; T367-F528 WeakPolarHBondContact O-CE2 3.44Å
368S81.1Confident89.1Confident71 Ų7124.2 Ų24.250%0.49714%0.139SC..  trans57.39.2-172.7-57.20000114.6Q365 E366 F524Q365-S368 PolarHBondContact O-N 2.89Å; E366-S368 PolarHBondContact O-N 2.75Å; E366-S368 VanDerWaalsContact O-N 3.1Å; S368-F524 WeakPolarHBondContact O-CE1 3.47Å
369I86.6Confident89Confident4 Ų423.8 Ų23.82%0.02113%0.134CC..  trans-73.6128.5165.4-64.6171.4000107.4W101 T367 I373 W374 W392 F395W101-I369 WeakPolarHBondContact CH2-O 3.47Å; W101-I369 WeakPolarHBondContact CZ2-O 3.36Å; T367-I369 PolarHBondContact O-N 3.39Å; T367-I369 WeakPolarHBondContact OG1-CB 3.48Å; T367-I369 PolarHBondContact OG1-N 3.13Å; I369-I373 HydrophobicContact CG2-CB 3.76Å; I369-I373 HydrophobicContact CG2-CG1 4.32Å; I369-I373 HydrophobicContact CG2-CG2 3.91Å; I369-W374 HydrophobicContact CB-CZ2 4.38Å; I369-W374 HydrophobicContact CD1-CZ2 4Å; I369-W374 PolarHBondContact O-NE1 3.48Å; I369-W392 HydrophobicContact CD1-CZ3 4.31Å; I369-F395 HydrophobicContact CD1-CE1 4.04Å; I369-F395 HydrophobicContact CD1-CZ 4.26Å; I369-F395 HydrophobicContact CG2-CZ 4.11Å
370P89.1Confident88.7Confident77 Ų7724.3 Ų24.350%0.514%0.135SC..  trans-59.3144.4-178.5-23.532.5000112.9D372 I373P370-D372 VanDerWaalsContact C-N 3.26Å; P370-D372 PolarHBondContact O-N 3.39Å; P370-I373 HydrophobicContact CB-CG1 4.21Å; P370-I373 HydrophobicContact CG-CG1 4.35Å; P370-I373 WeakPolarHBondContact O-CB 3.45Å; P370-I373 PolarHBondContact O-N 3.15Å
371A93Very high88.5Confident15 Ų1525 Ų2512%0.12414%0.139CC..Hα-helixtrans-52.9-40.5-17900000113.4W101 I373 W374 R375W101-A371 HydrophobicContact CD2-CB 4.18Å; W101-A371 HydrophobicContact CE3-CB 3.99Å; W101-A371 HydrophobicContact CH2-CB 4.26Å; W101-A371 HydrophobicContact CZ2-CB 4.42Å; W101-A371 HydrophobicContact CZ3-CB 4.04Å; W101-A371 WeakPolarHBondContact O-CB 3.38Å; A371-I373 PolarHBondContact O-N 2.97Å; A371-W374 WeakPolarHBondContact O-CB 3.46Å; A371-W374 PolarHBondContact O-N 3.23Å; A371-R375 WeakPolarHBondContact O-CG 3.36Å; A371-R375 PolarHBondContact O-N 2.95Å
372D88.4Confident88.5Confident6 Ų626 Ų263%0.03214%0.142CC..Hα-helixtrans-58.2-31.1177.9-88.613.2000113.7P370 F376 M479 P480 E481 T482P370-D372 VanDerWaalsContact C-N 3.26Å; P370-D372 PolarHBondContact O-N 3.39Å; D372-F376 VanDerWaalsContact O-CB 3.25Å; D372-F376 WeakPolarHBondContact O-CB 3.25Å; D372-F376 PolarHBondContact O-N 2.46Å; D372-M479 HydrophobicContact CB-CB 4.1Å; D372-M479 HydrophobicContact CB-CE 3.98Å; D372-M479 HydrophobicContact CB-CG 4.19Å; D372-M479 VanDerWaalsContact CG-CA 3.49Å; D372-M479 VanDerWaalsContact OD2-CA 3.32Å; D372-M479 WeakPolarHBondContact OD2-CA 3.38Å; D372-M479 WeakPolarHBondContact OD2-CB 3.34Å; D372-P480 VanDerWaalsContact OD1-CD 3.29Å; D372-P480 WeakPolarHBondContact OD1-CD 3.32Å; D372-E481 PolarHBondContact OD2-N 3.11Å; D372-E481 VanDerWaalsContact OD2-N 3.1Å; D372-T482 WeakPolarHBondContact OD2-CB 3.33Å; D372-T482 PolarHBondContact OD2-N 3.13Å; D372-T482 PolarHBondContact OD2-OG1 3.43Å
373I88.1Confident88.5Confident13 Ų1324.5 Ų24.57%0.06713%0.133CC..Hα-helixtrans-72.2-40.2177.8-53.3-59.7000110.2I369 P370 A371 F376 Y377 F395 V399 L403 M479 I521I369-I373 HydrophobicContact CG2-CB 3.76Å; I369-I373 HydrophobicContact CG2-CG1 4.32Å; I369-I373 HydrophobicContact CG2-CG2 3.91Å; P370-I373 HydrophobicContact CB-CG1 4.21Å; P370-I373 HydrophobicContact CG-CG1 4.35Å; P370-I373 WeakPolarHBondContact O-CB 3.45Å; P370-I373 PolarHBondContact O-N 3.15Å; A371-I373 PolarHBondContact O-N 2.97Å; I373-F376 WeakPolarHBondContact O-CB 3.49Å; I373-F376 PolarHBondContact O-N 3.22Å; I373-Y377 PolarHBondContact O-N 3.06Å; I373-F395 HydrophobicContact CG2-CE1 4.45Å; I373-F395 HydrophobicContact CG2-CE2 4.13Å; I373-F395 HydrophobicContact CG2-CZ 3.59Å; I373-V399 HydrophobicContact CG2-CB 4.39Å; I373-V399 HydrophobicContact CG2-CG1 3.9Å; I373-V399 HydrophobicContact CG2-CG2 3.55Å; I373-L403 HydrophobicContact CD1-CD1 3.6Å; I373-M479 HydrophobicContact CD1-CE 4.33Å; I373-I521 HydrophobicContact CD1-CD1 4.3Å; I373-I521 HydrophobicContact CG1-CD1 4.16Å; I373-I521 HydrophobicContact CG2-CD1 3.84Å
374W92.2Very high88.2Confident0 Ų024.1 Ų24.10%013%0.13CC..Hα-helixtrans-62.8-47.4172-67103.9000111.4L36 W101 F102 V359 A364 T367 I369 A371 F376 Y377 L378 F390 W392 F395L36-W374 HydrophobicContact CD1-CE3 3.93Å; L36-W374 HydrophobicContact CD1-CZ3 3.65Å; W101-W374 AromaticContact CH2-CD1 3.52Å; W101-W374 AromaticContact CH2-NE1 3.73Å; W101-W374 AromaticContact CZ3-CD1 3.92Å; F102-W374 HydrophobicContact CE1-CB 3.69Å; F102-W374 HydrophobicContact CE1-CG 4.47Å; F102-W374 HydrophobicContact CZ-CB 4.12Å; F102-W374 HydrophobicContact CZ-CG 4.45Å; V359-W374 HydrophobicContact CG1-CH2 4.1Å; V359-W374 HydrophobicContact CG1-CZ3 4.34Å; V359-W374 HydrophobicContact CG2-CH2 4.5Å; A364-W374 HydrophobicContact CB-CD2 4.41Å; A364-W374 HydrophobicContact CB-CZ2 4.32Å; T367-W374 HydrophobicContact CG2-CH2 4.49Å; T367-W374 HydrophobicContact CG2-CZ2 3.83Å; T367-W374 WeakPolarHBondContact OG1-CZ2 3.38Å; I369-W374 HydrophobicContact CB-CZ2 4.38Å; I369-W374 HydrophobicContact CD1-CZ2 4Å; I369-W374 PolarHBondContact O-NE1 3.48Å; A371-W374 WeakPolarHBondContact O-CB 3.46Å; A371-W374 PolarHBondContact O-N 3.23Å; W374-F376 VanDerWaalsContact C-N 3.32Å; W374-F376 PolarHBondContact O-N 3.3Å; W374-Y377 PolarHBondContact O-N 3.32Å; W374-L378 WeakPolarHBondContact O-CB 3.45Å; W374-L378 WeakPolarHBondContact O-CG 3.46Å; W374-L378 PolarHBondContact O-N 2.96Å; W374-F390 HydrophobicContact CE3-CE2 4.26Å; W374-F390 HydrophobicContact CH2-CZ 4.32Å; W374-F390 AromaticContact CZ3-CE2 3.69Å; W374-F390 HydrophobicContact CZ3-CE2 3.69Å; W374-F390 AromaticContact CZ3-CZ 3.64Å; W374-F390 HydrophobicContact CZ3-CZ 3.64Å; W374-W392 AromaticContact CH2-CH2 3.47Å; W374-W392 HydrophobicContact CH2-CH2 3.47Å; W374-W392 VanDerWaalsContact CH2-CH2 3.47Å; W374-W392 HydrophobicContact CH2-CZ2 4.22Å; W374-W392 AromaticContact CH2-CZ3 3.94Å; W374-W392 HydrophobicContact CH2-CZ3 3.94Å; W374-W392 HydrophobicContact CZ2-CH2 4.16Å; W374-W392 HydrophobicContact CZ3-CH2 4.42Å; W374-F395 HydrophobicContact CE3-CE2 4.15Å; W374-F395 HydrophobicContact CZ3-CE2 4.38Å
375R92.2Very high87.8Confident0 Ų028.4 Ų28.40%016%0.156CC..Hα-helixtrans-56.3-48.7175.8-66175.864.194.33.6110.9L44 D47 F102 N103 A371 Y377 L379 P477 F478L44-R375 HydrophobicContact CD1-CB 4.27Å; L44-R375 HydrophobicContact CD1-CG 3.84Å; L44-R375 VanDerWaalsContact CD1-NH1 3.31Å; L44-R375 HydrophobicContact CD2-CG 4.49Å; D47-R375 IonicContact OD2-CZ 2.78Å; D47-R375 VanDerWaalsContact OD2-CZ 3.22Å; D47-R375 IonicContact OD2-NH1 3.84Å; D47-R375 PolarHBondContact OD2-NH1 2.84Å; D47-R375 IonicContact OD2-NH2 3.36Å; D47-R375 PolarHBondContact OD2-NH2 3.48Å; F102-R375 HydrophobicContact CD1-CG 4.33Å; F102-R375 WeakPolarHBondContact O-CD 3.49Å; F102-R375 PolarHBondContact O-NH1 3.44Å; N103-R375 PolarHBondContact O-NH1 3.25Å; N103-R375 VanDerWaalsContact O-NH1 3.13Å; A371-R375 WeakPolarHBondContact O-CG 3.36Å; A371-R375 PolarHBondContact O-N 2.95Å; R375-Y377 PolarHBondContact O-N 2.92Å; R375-L379 HydrophobicContact CB-CD1 4.41Å; R375-L379 VanDerWaalsContact O-CB 3.26Å; R375-L379 WeakPolarHBondContact O-CB 3.42Å; R375-L379 WeakPolarHBondContact O-CD1 3.34Å; R375-L379 VanDerWaalsContact O-CG 3.24Å; R375-L379 WeakPolarHBondContact O-CG 3.47Å; R375-L379 PolarHBondContact O-N 3.24Å; R375-P477 PolarHBondContact NH2-O 3.31Å; R375-F478 WeakPolarHBondContact CB-O 3.2Å; R375-F478 PolarHBondContact NE-O 3.24Å
376F86.2Confident87.8Confident0 Ų032.2 Ų32.20%017%0.174CC..Hα-helixtrans-51.7-56.9177161.2-94.3000111.6D372 I373 W374 L379 Y380 K398 V399 E402 L403 F410 M479D372-F376 VanDerWaalsContact O-CB 3.25Å; D372-F376 WeakPolarHBondContact O-CB 3.25Å; D372-F376 PolarHBondContact O-N 2.46Å; I373-F376 WeakPolarHBondContact O-CB 3.49Å; I373-F376 PolarHBondContact O-N 3.22Å; W374-F376 VanDerWaalsContact C-N 3.32Å; W374-F376 PolarHBondContact O-N 3.3Å; F376-L379 PolarHBondContact O-N 3.02Å; F376-Y380 HydrophobicContact CE2-CD2 4.48Å; F376-Y380 HydrophobicContact CZ-CD2 4.28Å; F376-Y380 VanDerWaalsContact O-CB 3.25Å; F376-Y380 WeakPolarHBondContact O-CB 3.18Å; F376-Y380 PolarHBondContact O-N 3.26Å; F376-K398 HydrophobicContact CE1-CB 4.27Å; F376-V399 HydrophobicContact CD1-CG2 3.91Å; F376-V399 HydrophobicContact CE1-CG2 3.95Å; F376-E402 HydrophobicContact CE2-CB 4.3Å; F376-E402 HydrophobicContact CZ-CB 3.8Å; F376-E402 HydrophobicContact CZ-CG 4.38Å; F376-L403 HydrophobicContact CB-CD1 4.09Å; F376-L403 HydrophobicContact CD1-CD1 3.64Å; F376-L403 HydrophobicContact CD1-CG 3.97Å; F376-L403 HydrophobicContact CD2-CD1 4.02Å; F376-L403 HydrophobicContact CD2-CD2 3.46Å; F376-L403 VanDerWaalsContact CD2-CD2 3.46Å; F376-L403 HydrophobicContact CD2-CG 3.79Å; F376-L403 HydrophobicContact CE1-CD1 4.14Å; F376-L403 HydrophobicContact CE1-CG 4.03Å; F376-L403 HydrophobicContact CE2-CD1 4.49Å; F376-L403 HydrophobicContact CE2-CD2 3.71Å; F376-L403 HydrophobicContact CE2-CG 3.86Å; F376-L403 HydrophobicContact CG-CD1 3.62Å; F376-L403 HydrophobicContact CG-CD2 3.95Å; F376-L403 HydrophobicContact CG-CG 3.9Å; F376-L403 HydrophobicContact CZ-CD2 4.36Å; F376-L403 HydrophobicContact CZ-CG 4.01Å; F376-F410 HydrophobicContact CB-CE2 4.16Å; F376-F410 HydrophobicContact CB-CZ 4.01Å; F376-F410 HydrophobicContact CD2-CB 4.02Å; F376-F410 AromaticContact CD2-CD1 3.78Å; F376-F410 HydrophobicContact CD2-CD1 3.78Å; F376-F410 AromaticContact CD2-CD2 3.05Å; F376-F410 HydrophobicContact CD2-CD2 3.05Å; F376-F410 AromaticContact CD2-CE1 3.92Å; F376-F410 HydrophobicContact CD2-CE1 3.92Å; F376-F410 AromaticContact CD2-CE2 3.24Å; F376-F410 HydrophobicContact CD2-CE2 3.24Å; F376-F410 AromaticContact CD2-CG 3.33Å; F376-F410 HydrophobicContact CD2-CG 3.33Å; F376-F410 AromaticContact CD2-CZ 3.65Å; F376-F410 HydrophobicContact CD2-CZ 3.65Å; F376-F410 HydrophobicContact CE2-CB 3.64Å; F376-F410 HydrophobicContact CE2-CD1 4.29Å; F376-F410 AromaticContact CE2-CD2 3.16Å; F376-F410 HydrophobicContact CE2-CD2 3.16Å; F376-F410 AromaticContact CE2-CE2 3.81Å; F376-F410 HydrophobicContact CE2-CE2 3.81Å; F376-F410 AromaticContact CE2-CG 3.44Å; F376-F410 HydrophobicContact CE2-CG 3.44Å; F376-F410 VanDerWaalsContact CE2-CG 3.44Å; F376-F410 HydrophobicContact CG-CD2 4.19Å; F376-F410 AromaticContact CG-CE2 4Å; F376-F410 HydrophobicContact CG-CE2 4Å; F376-F410 HydrophobicContact CG-CZ 4.27Å; F376-F410 HydrophobicContact CZ-CD2 4.36Å; F376-F410 WeakPolarHBondContact O-CE2 3.34Å; F376-M479 HydrophobicContact CB-CE 4.35Å; F376-M479 HydrophobicContact CB-CG 4.29Å; F376-M479 HydrophobicContact CB-SD 3.93Å; F376-M479 HydrophobicContact CD2-SD 4.29Å; F376-M479 HydrophobicContact CG-SD 4.48Å
377Y87.8Confident88Confident0 Ų028.7 Ų28.70%016%0.16CC..Hα-helixtrans-67.6-46.2-173.2-177.2-110.3000111.4I373 W374 R375 L379 Y380 I381 F390 N391 D394 F395 K398I373-Y377 PolarHBondContact O-N 3.06Å; W374-Y377 PolarHBondContact O-N 3.32Å; R375-Y377 PolarHBondContact O-N 2.92Å; Y377-L379 VanDerWaalsContact C-N 3.3Å; Y377-L379 PolarHBondContact O-N 2.93Å; Y377-Y380 WeakPolarHBondContact O-CB 3.38Å; Y377-Y380 PolarHBondContact O-N 3.35Å; Y377-I381 HydrophobicContact CD1-CD1 4.12Å; Y377-I381 HydrophobicContact CD1-CG1 4.31Å; Y377-I381 HydrophobicContact CE1-CD1 3.53Å; Y377-I381 HydrophobicContact CE1-CG1 4.12Å; Y377-I381 HydrophobicContact CE2-CG2 4.02Å; Y377-I381 WeakPolarHBondContact O-CG1 3.47Å; Y377-I381 PolarHBondContact O-N 2.95Å; Y377-F390 AromaticContact CD1-CD2 3.78Å; Y377-F390 HydrophobicContact CD1-CD2 3.78Å; Y377-F390 AromaticContact CD1-CE2 3.64Å; Y377-F390 HydrophobicContact CD1-CE2 3.64Å; Y377-F390 AromaticContact CE1-CD2 3.52Å; Y377-F390 HydrophobicContact CE1-CD2 3.52Å; Y377-F390 AromaticContact CE1-CE2 3.67Å; Y377-F390 HydrophobicContact CE1-CE2 3.67Å; Y377-F390 HydrophobicContact CE1-CG 4.24Å; Y377-F390 HydrophobicContact CE1-CZ 4.47Å; Y377-N391 PolarHBondContact OH-O 3.23Å; Y377-D394 VanDerWaalsContact CE2-OD2 3.24Å; Y377-D394 WeakPolarHBondContact CE2-OD2 3.48Å; Y377-D394 WeakPolarHBondContact OH-CB 3.34Å; Y377-D394 PolarHBondContact OH-OD2 3.25Å; Y377-F395 HydrophobicContact CD1-CB 4.19Å; Y377-F395 AromaticContact CD1-CD2 3.49Å; Y377-F395 HydrophobicContact CD1-CD2 3.49Å; Y377-F395 VanDerWaalsContact CD1-CD2 3.49Å; Y377-F395 HydrophobicContact CD1-CE2 4.37Å; Y377-F395 HydrophobicContact CD1-CG 4.33Å; Y377-F395 HydrophobicContact CD2-CB 4.37Å; Y377-F395 HydrophobicContact CD2-CD2 4.14Å; Y377-F395 HydrophobicContact CE1-CB 3.97Å; Y377-F395 HydrophobicContact CE1-CD2 4.13Å; Y377-F395 VanDerWaalsContact CE2-CA 3.49Å; Y377-F395 HydrophobicContact CE2-CB 4.22Å; Y377-F395 HydrophobicContact CG-CB 4.35Å; Y377-F395 AromaticContact CG-CD2 3.46Å; Y377-F395 HydrophobicContact CG-CD2 3.46Å; Y377-F395 VanDerWaalsContact CG-CD2 3.46Å; Y377-F395 HydrophobicContact CG-CE2 4.19Å; Y377-F395 HydrophobicContact CG-CG 4.33Å; Y377-K398 HydrophobicContact CD2-CB 4.16Å; Y377-K398 HydrophobicContact CE2-CB 4.22Å; Y377-K398 HydrophobicContact CE2-CG 4.16Å
378L91.5Very high88.4Confident0 Ų029.6 Ų29.60%017%0.167CC..Hα-helixtrans-60.6-39.5-179.7-67.7174.3000112.3L36 I40 L44 F102 L344 W374 I381 R382 F390L36-L378 HydrophobicContact CB-CD1 4.31Å; L36-L378 HydrophobicContact CB-CD2 3.98Å; L36-L378 HydrophobicContact CD1-CD2 4.17Å; L36-L378 HydrophobicContact CD2-CD1 4.2Å; I40-L378 HydrophobicContact CB-CB 4.18Å; I40-L378 HydrophobicContact CD1-CB 3.97Å; I40-L378 VanDerWaalsContact CD1-O 3.28Å; I40-L378 WeakPolarHBondContact CD1-O 3.22Å; I40-L378 HydrophobicContact CG1-CB 4.14Å; I40-L378 WeakPolarHBondContact CG1-O 3.31Å; L44-L378 HydrophobicContact CD2-CB 4.04Å; L44-L378 HydrophobicContact CD2-CD1 4.19Å; F102-L378 HydrophobicContact CE1-CD1 4.16Å; L344-L378 HydrophobicContact CD2-CD2 3.73Å; W374-L378 WeakPolarHBondContact O-CB 3.45Å; W374-L378 WeakPolarHBondContact O-CG 3.46Å; W374-L378 PolarHBondContact O-N 2.96Å; L378-I381 CarbonylContact O-C 3.57Å; L378-R382 WeakPolarHBondContact O-CA 3.35Å; L378-R382 PolarHBondContact O-N 2.94Å; L378-F390 HydrophobicContact CD2-CD2 4.24Å
379L87.4Confident89.1Confident3 Ų328.4 Ų28.42%0.01616%0.158CC..Hα-helixtrans-72.7-31.6175.9-70.6163000112.2I40 L44 V48 R375 F376 Y377 I381 R382 F410 A414 F478I40-L379 HydrophobicContact CD1-CD2 3.73Å; I40-L379 HydrophobicContact CD1-CG 4.09Å; L44-L379 HydrophobicContact CD1-CD1 4.15Å; L44-L379 HydrophobicContact CD2-CD1 4.39Å; L44-L379 HydrophobicContact CD2-CG 4.11Å; L44-L379 HydrophobicContact CG-CD1 4.22Å; L44-L379 HydrophobicContact CG-CD2 4.19Å; L44-L379 HydrophobicContact CG-CG 4.16Å; V48-L379 HydrophobicContact CG2-CD1 3.51Å; V48-L379 HydrophobicContact CG2-CD2 3.74Å; V48-L379 HydrophobicContact CG2-CG 4.3Å; R375-L379 HydrophobicContact CB-CD1 4.41Å; R375-L379 VanDerWaalsContact O-CB 3.26Å; R375-L379 WeakPolarHBondContact O-CB 3.42Å; R375-L379 WeakPolarHBondContact O-CD1 3.34Å; R375-L379 VanDerWaalsContact O-CG 3.24Å; R375-L379 WeakPolarHBondContact O-CG 3.47Å; R375-L379 PolarHBondContact O-N 3.24Å; F376-L379 PolarHBondContact O-N 3.02Å; Y377-L379 VanDerWaalsContact C-N 3.3Å; Y377-L379 PolarHBondContact O-N 2.93Å; L379-I381 VanDerWaalsContact C-N 3.34Å; L379-R382 WeakPolarHBondContact O-CB 3.27Å; L379-R382 PolarHBondContact O-N 2.83Å; L379-F410 HydrophobicContact CB-CE2 4.45Å; L379-A414 HydrophobicContact CB-CB 4.07Å; L379-F478 HydrophobicContact CD1-CB 4.42Å; L379-F478 HydrophobicContact CD1-CD1 3.97Å
380Y84.7Confident89.4Confident21 Ų2128.2 Ų28.28%0.08216%0.157CC..Hα-helixtrans-67-34.9175-177.2-83.4000112.4F376 Y377 K398 E402 R413F376-Y380 HydrophobicContact CE2-CD2 4.48Å; F376-Y380 HydrophobicContact CZ-CD2 4.28Å; F376-Y380 VanDerWaalsContact O-CB 3.25Å; F376-Y380 WeakPolarHBondContact O-CB 3.18Å; F376-Y380 PolarHBondContact O-N 3.26Å; Y377-Y380 WeakPolarHBondContact O-CB 3.38Å; Y377-Y380 PolarHBondContact O-N 3.35Å; Y380-K398 HydrophobicContact CD1-CG 4.43Å; Y380-K398 HydrophobicContact CE1-CD 3.77Å; Y380-K398 HydrophobicContact CE1-CG 4Å; Y380-K398 WeakPolarHBondContact OH-CE 3.33Å; Y380-K398 PolarHBondContact OH-NZ 3.29Å; Y380-E402 HydrophobicContact CE2-CG 4.28Å; Y380-R413 HydrophobicContact CD2-CB 4.38Å; Y380-R413 VanDerWaalsContact CE2-CD 3.47Å; Y380-R413 HydrophobicContact CE2-CG 4.35Å; Y380-R413 VanDerWaalsContact CZ-CZ 3.49Å; Y380-R413 PolarHBondContact OH-NE 3.38Å; Y380-R413 PolarHBondContact OH-NH1 2.92Å; Y380-R413 PolarHBondContact OH-NH2 2.87Å; Y380-R413 VanDerWaalsContact OH-NH2 3.13Å
381I88.7Confident89.6Confident22 Ų2226.9 Ų26.911%0.11315%0.146CC..THydrogen-bonded Turntrans-105.227.7175.166159.2000112.9L344 Y377 L378 L379 P383 S388 S389 F390L344-I381 HydrophobicContact CD1-CD1 3.69Å; L344-I381 HydrophobicContact CD1-CG1 4.49Å; Y377-I381 HydrophobicContact CD1-CD1 4.12Å; Y377-I381 HydrophobicContact CD1-CG1 4.31Å; Y377-I381 HydrophobicContact CE1-CD1 3.53Å; Y377-I381 HydrophobicContact CE1-CG1 4.12Å; Y377-I381 HydrophobicContact CE2-CG2 4.02Å; Y377-I381 WeakPolarHBondContact O-CG1 3.47Å; Y377-I381 PolarHBondContact O-N 2.95Å; L378-I381 CarbonylContact O-C 3.57Å; L379-I381 VanDerWaalsContact C-N 3.34Å; I381-P383 WeakPolarHBondContact O-CD 3.33Å; I381-S388 VanDerWaalsContact O-CB 3.27Å; I381-S388 WeakPolarHBondContact O-CB 3.32Å; I381-S388 PolarHBondContact O-OG 2.94Å; I381-S389 WeakPolarHBondContact CD1-O 3.4Å; I381-F390 HydrophobicContact CD1-CB 4.47Å
382R90.5Very high89.4Confident20 Ų2028.6 Ų28.68%0.07515%0.149CC..  trans-57.2125.9-177.9-175.6-178.4179.1-98.70.1109.9I40 S45 S339 T341 L378 L379 E384 L416I40-R382 HydrophobicContact CD1-CB 4.24Å; I40-R382 HydrophobicContact CD1-CG 4.1Å; I40-R382 HydrophobicContact CG1-CB 4.39Å; I40-R382 HydrophobicContact CG1-CG 4.15Å; S45-R382 PolarHBondContact OG-NE 3.37Å; S45-R382 PolarHBondContact OG-NH2 2.8Å; S339-R382 PolarHBondContact OG-NH2 2.92Å; S339-R382 VanDerWaalsContact OG-NH2 3.12Å; T341-R382 HydrophobicContact CG2-CG 4.47Å; T341-R382 VanDerWaalsContact CG2-CZ 3.41Å; L378-R382 WeakPolarHBondContact O-CA 3.35Å; L378-R382 PolarHBondContact O-N 2.94Å; L379-R382 WeakPolarHBondContact O-CB 3.27Å; L379-R382 PolarHBondContact O-N 2.83Å; R382-E384 VanDerWaalsContact C-N 3.35Å; R382-E384 HydrophobicContact CB-CG 4.27Å; R382-E384 HydrophobicContact CG-CG 4.09Å; R382-E384 IonicContact CZ-OE1 2.79Å; R382-E384 IonicContact NH1-OE1 3.02Å; R382-E384 PolarHBondContact NH1-OE1 3.37Å; R382-E384 WeakPolarHBondContact O-CG 3.29Å; R382-E384 PolarHBondContact O-N 2.66Å; R382-L416 VanDerWaalsContact NH1-CD2 3.35Å
383P91.1Very high89.4Confident1 Ų133 Ų331%0.00618%0.176CC..  trans-77.780.4-176.329.8-33.6000111.4T341 E342 L344 I381T341-P383 WeakPolarHBondContact CA-O 3.5Å; T341-P383 WeakPolarHBondContact CB-O 3.41Å; E342-P383 HydrophobicContact CB-CB 4.02Å; E342-P383 PolarHBondContact N-O 2.73Å; E342-P383 VanDerWaalsContact O-CG 3.27Å; E342-P383 WeakPolarHBondContact O-CG 3.43Å; L344-P383 HydrophobicContact CB-CG 4.41Å; I381-P383 WeakPolarHBondContact O-CD 3.33Å
384E83.6Confident89.4Confident40 Ų4034.8 Ų34.819%0.18719%0.186CC..SBendtrans-83.6-49.7-173.6-47.6-155.2129.300113.4R382R382-E384 VanDerWaalsContact C-N 3.35Å; R382-E384 HydrophobicContact CB-CG 4.27Å; R382-E384 HydrophobicContact CG-CG 4.09Å; R382-E384 IonicContact CZ-OE1 2.79Å; R382-E384 IonicContact NH1-OE1 3.02Å; R382-E384 PolarHBondContact NH1-OE1 3.37Å; R382-E384 WeakPolarHBondContact O-CG 3.29Å; R382-E384 PolarHBondContact O-N 2.66Å
385T82Confident89.2Confident90 Ų9034.9 Ų34.955%0.55219%0.186SC*.SBendtrans-114.8-19.2-173.155.10000113.7
386Q88.4Confident88.8Confident140 Ų14035.8 Ų35.865%0.65419%0.194SC*.SBendtrans-148160.8175.458.517569.300109.5E342 S388E342-Q386 VanDerWaalsContact CB-C 3.45Å; Q386-S388 PolarHBondContact O-N 3.12Å
387D92.3Very high88.6Confident70 Ų7039.5 Ų39.537%0.37421%0.214SC..  trans-54.6140.8171.8-69.9-6.6000109.6K311 E342 Y343K311-D387 IonicContact NZ-OD1 3.15Å; K311-D387 PolarHBondContact NZ-OD1 2.89Å; K311-D387 VanDerWaalsContact NZ-OD1 3.1Å; E342-D387 WeakPolarHBondContact CB-OD1 3.35Å; Y343-D387 PolarHBondContact N-OD1 3.38Å; Y343-D387 VanDerWaalsContact O-CA 3.23Å; Y343-D387 WeakPolarHBondContact O-CA 3.47Å; Y343-D387 WeakPolarHBondContact O-CB 3.49Å
388S91.9Very high88.2Confident29 Ų2941.1 Ų41.120%0.20322%0.221CC..EExtended strand (participates in β ladder)trans-118.1158.4175-64.40000109.4Y343 L344 T345 I381 Q386Y343-S388 PolarHBondContact O-N 2.91Å; L344-S388 CarbonylContact C-O 3.57Å; L344-S388 WeakPolarHBondContact CA-O 3.44Å; T345-S388 PolarHBondContact N-O 3.23Å; T345-S388 PolarHBondContact OG1-O 3.42Å; I381-S388 VanDerWaalsContact O-CB 3.27Å; I381-S388 WeakPolarHBondContact O-CB 3.32Å; I381-S388 PolarHBondContact O-OG 2.94Å; Q386-S388 PolarHBondContact O-N 3.12Å
389S94.6Very high87.4Confident45 Ų4541.2 Ų41.232%0.31522%0.221SC..EExtended strand (participates in β ladder)trans-119.5133.4177.4-178.20000111.2T345 E347 I381T345-S389 WeakPolarHBondContact OG1-CA 3.25Å; T345-S389 VanDerWaalsContact OG1-CB 3.26Å; T345-S389 WeakPolarHBondContact OG1-CB 3.49Å; T345-S389 PolarHBondContact OG1-OG 3.03Å; E347-S389 PolarHBondContact N-OG 3Å; E347-S389 PolarHBondContact O-OG 2.84Å; I381-S389 WeakPolarHBondContact CD1-O 3.4Å
390F94.5Very high86.8Confident0 Ų043.2 Ų43.20%023%0.232CC..EExtended strand (participates in β ladder)trans-74.9123.9166.6-179.4-80.8000109.6L36 L344 T345 Y346 E347 W374 Y377 L378 I381 W392 F395L36-F390 HydrophobicContact CD1-CD2 3.91Å; L36-F390 HydrophobicContact CD1-CE2 3.83Å; L36-F390 HydrophobicContact CD1-CZ 4.43Å; L344-F390 HydrophobicContact CD1-CB 4.28Å; L344-F390 HydrophobicContact CD2-CB 4.44Å; T345-F390 PolarHBondContact O-N 2.97Å; Y346-F390 HydrophobicContact CD2-CB 4.28Å; Y346-F390 AromaticContact CD2-CD1 3.64Å; Y346-F390 HydrophobicContact CD2-CD1 3.64Å; Y346-F390 HydrophobicContact CD2-CE1 4.43Å; Y346-F390 HydrophobicContact CD2-CG 4.25Å; Y346-F390 AromaticContact CE2-CD1 3.57Å; Y346-F390 HydrophobicContact CE2-CD1 3.57Å; Y346-F390 AromaticContact CE2-CE1 3.93Å; Y346-F390 HydrophobicContact CE2-CE1 3.93Å; E347-F390 WeakPolarHBondContact CA-O 3.33Å; E347-F390 PolarHBondContact N-O 3.26Å; W374-F390 HydrophobicContact CE3-CE2 4.26Å; W374-F390 HydrophobicContact CH2-CZ 4.32Å; W374-F390 AromaticContact CZ3-CE2 3.69Å; W374-F390 HydrophobicContact CZ3-CE2 3.69Å; W374-F390 AromaticContact CZ3-CZ 3.64Å; W374-F390 HydrophobicContact CZ3-CZ 3.64Å; Y377-F390 AromaticContact CD1-CD2 3.78Å; Y377-F390 HydrophobicContact CD1-CD2 3.78Å; Y377-F390 AromaticContact CD1-CE2 3.64Å; Y377-F390 HydrophobicContact CD1-CE2 3.64Å; Y377-F390 AromaticContact CE1-CD2 3.52Å; Y377-F390 HydrophobicContact CE1-CD2 3.52Å; Y377-F390 AromaticContact CE1-CE2 3.67Å; Y377-F390 HydrophobicContact CE1-CE2 3.67Å; Y377-F390 HydrophobicContact CE1-CG 4.24Å; Y377-F390 HydrophobicContact CE1-CZ 4.47Å; L378-F390 HydrophobicContact CD2-CD2 4.24Å; I381-F390 HydrophobicContact CD1-CB 4.47Å; F390-W392 AromaticContact CE1-CD2 3.85Å; F390-W392 HydrophobicContact CE1-CD2 3.85Å; F390-W392 AromaticContact CE1-CE2 3.8Å; F390-W392 HydrophobicContact CE1-CE3 4.38Å; F390-W392 HydrophobicContact CE1-CG 4.05Å; F390-W392 HydrophobicContact CE1-CZ2 4.35Å; F390-W392 AromaticContact CE1-NE1 3.85Å; F390-W392 HydrophobicContact CZ-CD2 4.22Å; F390-W392 HydrophobicContact CZ-CE3 4.3Å; F390-W392 HydrophobicContact CZ-CZ3 4.5Å; F390-F395 HydrophobicContact CE2-CD2 4.09Å; F390-F395 HydrophobicContact CZ-CB 4.35Å; F390-F395 HydrophobicContact CZ-CD2 4.2Å; F390-F395 HydrophobicContact CZ-CG 4.36Å
391N92.3Very high86.1Confident50 Ų5043.9 Ų43.927%0.26724%0.24SC..  trans-130.8131.2175.9175.2-78.1000110.6E347 Y377 T393 D394 F395E347-N391 WeakPolarHBondContact OE1-CA 3.24Å; E347-N391 PolarHBondContact OE2-ND2 3.43Å; Y377-N391 PolarHBondContact OH-O 3.23Å; N391-T393 VanDerWaalsContact C-N 3.34Å; N391-T393 PolarHBondContact O-N 3.37Å; N391-T393 VanDerWaalsContact OD1-CA 3.3Å; N391-T393 WeakPolarHBondContact OD1-CA 3.28Å; N391-T393 WeakPolarHBondContact OD1-CB 3.26Å; N391-T393 PolarHBondContact OD1-N 3Å; N391-D394 HydrophobicContact CB-CB 4.11Å; N391-D394 PolarHBondContact O-N 3.45Å; N391-D394 PolarHBondContact OD1-N 2.97Å; N391-F395 WeakPolarHBondContact O-CB 3.44Å; N391-F395 PolarHBondContact O-N 2.63Å
392W90.3Very high85.2Confident51 Ų5143.5 Ų43.519%0.19324%0.238CC..Hα-helixtrans-65.6-34.3-177.8-78.5104.1000114.1Y346 E347 V359 I369 W374 F390 F395 A396Y346-W392 AromaticContact CE2-NE1 3.89Å; Y346-W392 AromaticContact CZ-NE1 3.73Å; Y346-W392 PolarHBondContact OH-NE1 2.78Å; E347-W392 PolarHBondContact OE1-N 3.46Å; V359-W392 HydrophobicContact CG2-CH2 4.45Å; V359-W392 HydrophobicContact CG2-CZ2 3.63Å; I369-W392 HydrophobicContact CD1-CZ3 4.31Å; W374-W392 AromaticContact CH2-CH2 3.47Å; W374-W392 HydrophobicContact CH2-CH2 3.47Å; W374-W392 VanDerWaalsContact CH2-CH2 3.47Å; W374-W392 HydrophobicContact CH2-CZ2 4.22Å; W374-W392 AromaticContact CH2-CZ3 3.94Å; W374-W392 HydrophobicContact CH2-CZ3 3.94Å; W374-W392 HydrophobicContact CZ2-CH2 4.16Å; W374-W392 HydrophobicContact CZ3-CH2 4.42Å; F390-W392 AromaticContact CE1-CD2 3.85Å; F390-W392 HydrophobicContact CE1-CD2 3.85Å; F390-W392 AromaticContact CE1-CE2 3.8Å; F390-W392 HydrophobicContact CE1-CE3 4.38Å; F390-W392 HydrophobicContact CE1-CG 4.05Å; F390-W392 HydrophobicContact CE1-CZ2 4.35Å; F390-W392 AromaticContact CE1-NE1 3.85Å; F390-W392 HydrophobicContact CZ-CD2 4.22Å; F390-W392 HydrophobicContact CZ-CE3 4.3Å; F390-W392 HydrophobicContact CZ-CZ3 4.5Å; W392-F395 HydrophobicContact CE3-CD1 4.17Å; W392-F395 HydrophobicContact CZ3-CD1 4.33Å; W392-F395 HydrophobicContact CZ3-CE1 4.47Å; W392-A396 PolarHBondContact O-N 3.12Å
393T88.3Confident84.1Confident97 Ų9743.4 Ų43.460%0.59524%0.238SC*.Hα-helixtrans-68.2-43.3177.5-57.80000110.5N391 L397N391-T393 VanDerWaalsContact C-N 3.34Å; N391-T393 PolarHBondContact O-N 3.37Å; N391-T393 VanDerWaalsContact OD1-CA 3.3Å; N391-T393 WeakPolarHBondContact OD1-CA 3.28Å; N391-T393 WeakPolarHBondContact OD1-CB 3.26Å; N391-T393 PolarHBondContact OD1-N 3Å; T393-L397 VanDerWaalsContact O-CB 3.26Å; T393-L397 WeakPolarHBondContact O-CB 3.39Å; T393-L397 PolarHBondContact O-N 3.42Å
394D86.6Confident82.6Confident52 Ų5246.2 Ų46.228%0.27826%0.258SS..Hα-helixtrans-69-39.4175.6-173.665.4000111.3Y377 N391 A396 L397 K398Y377-D394 VanDerWaalsContact CE2-OD2 3.24Å; Y377-D394 WeakPolarHBondContact CE2-OD2 3.48Å; Y377-D394 WeakPolarHBondContact OH-CB 3.34Å; Y377-D394 PolarHBondContact OH-OD2 3.25Å; N391-D394 HydrophobicContact CB-CB 4.11Å; N391-D394 PolarHBondContact O-N 3.45Å; N391-D394 PolarHBondContact OD1-N 2.97Å; D394-A396 PolarHBondContact O-N 3.22Å; D394-L397 PolarHBondContact O-N 2.92Å; D394-K398 WeakPolarHBondContact O-CB 3.44Å; D394-K398 VanDerWaalsContact O-CG 3.25Å; D394-K398 WeakPolarHBondContact O-CG 3.41Å; D394-K398 PolarHBondContact O-N 3.31Å; D394-K398 WeakPolarHBondContact OD1-CE 3.47Å
395F88.1Confident81.3Confident1 Ų149.6 Ų49.60%0.00428%0.278CS..Hα-helixtrans-52.1-56.3171.3175.7-90.5000111.4I369 I373 W374 Y377 F390 N391 W392 L397 K398 V399I369-F395 HydrophobicContact CD1-CE1 4.04Å; I369-F395 HydrophobicContact CD1-CZ 4.26Å; I369-F395 HydrophobicContact CG2-CZ 4.11Å; I373-F395 HydrophobicContact CG2-CE1 4.45Å; I373-F395 HydrophobicContact CG2-CE2 4.13Å; I373-F395 HydrophobicContact CG2-CZ 3.59Å; W374-F395 HydrophobicContact CE3-CE2 4.15Å; W374-F395 HydrophobicContact CZ3-CE2 4.38Å; Y377-F395 HydrophobicContact CD1-CB 4.19Å; Y377-F395 AromaticContact CD1-CD2 3.49Å; Y377-F395 HydrophobicContact CD1-CD2 3.49Å; Y377-F395 VanDerWaalsContact CD1-CD2 3.49Å; Y377-F395 HydrophobicContact CD1-CE2 4.37Å; Y377-F395 HydrophobicContact CD1-CG 4.33Å; Y377-F395 HydrophobicContact CD2-CB 4.37Å; Y377-F395 HydrophobicContact CD2-CD2 4.14Å; Y377-F395 HydrophobicContact CE1-CB 3.97Å; Y377-F395 HydrophobicContact CE1-CD2 4.13Å; Y377-F395 VanDerWaalsContact CE2-CA 3.49Å; Y377-F395 HydrophobicContact CE2-CB 4.22Å; Y377-F395 HydrophobicContact CG-CB 4.35Å; Y377-F395 AromaticContact CG-CD2 3.46Å; Y377-F395 HydrophobicContact CG-CD2 3.46Å; Y377-F395 VanDerWaalsContact CG-CD2 3.46Å; Y377-F395 HydrophobicContact CG-CE2 4.19Å; Y377-F395 HydrophobicContact CG-CG 4.33Å; F390-F395 HydrophobicContact CE2-CD2 4.09Å; F390-F395 HydrophobicContact CZ-CB 4.35Å; F390-F395 HydrophobicContact CZ-CD2 4.2Å; F390-F395 HydrophobicContact CZ-CG 4.36Å; N391-F395 WeakPolarHBondContact O-CB 3.44Å; N391-F395 PolarHBondContact O-N 2.63Å; W392-F395 HydrophobicContact CE3-CD1 4.17Å; W392-F395 HydrophobicContact CZ3-CD1 4.33Å; W392-F395 HydrophobicContact CZ3-CE1 4.47Å; F395-L397 VanDerWaalsContact C-N 3.34Å; F395-L397 PolarHBondContact O-N 3.49Å; F395-K398 PolarHBondContact O-N 3.3Å; F395-V399 HydrophobicContact CD2-CG2 4.45Å; F395-V399 HydrophobicContact CE1-CG2 4.34Å; F395-V399 HydrophobicContact CE2-CG2 4.21Å; F395-V399 HydrophobicContact CZ-CG2 4.15Å; F395-V399 WeakPolarHBondContact O-CB 3.39Å; F395-V399 WeakPolarHBondContact O-CG2 3.38Å; F395-V399 PolarHBondContact O-N 3.01Å
396A83.9Confident80.1Confident20 Ų2047.9 Ų47.917%0.16527%0.265CS..Hα-helixtrans-62.5-41.6-179.900000111.9W392 D394 N400W392-A396 PolarHBondContact O-N 3.12Å; D394-A396 PolarHBondContact O-N 3.22Å; A396-N400 WeakPolarHBondContact O-CB 3.33Å; A396-N400 VanDerWaalsContact O-CG 3.25Å; A396-N400 PolarHBondContact O-N 2.94Å; A396-N400 PolarHBondContact O-ND2 2.98Å
397L83Confident78.5Confident78 Ų7843.5 Ų43.541%0.40825%0.246SC..Hα-helixtrans-63.2-48.4179.1-175.9148.2000111.3T393 D394 F395 N400 S401T393-L397 VanDerWaalsContact O-CB 3.26Å; T393-L397 WeakPolarHBondContact O-CB 3.39Å; T393-L397 PolarHBondContact O-N 3.42Å; D394-L397 PolarHBondContact O-N 2.92Å; F395-L397 VanDerWaalsContact C-N 3.34Å; F395-L397 PolarHBondContact O-N 3.49Å; L397-N400 PolarHBondContact O-N 3.43Å; L397-S401 VanDerWaalsContact O-CB 3.25Å; L397-S401 WeakPolarHBondContact O-CB 3.15Å; L397-S401 PolarHBondContact O-N 3.03Å; L397-S401 PolarHBondContact O-OG 2.91Å
398K78.1Confident76.2Confident34 Ų3440.2 Ų40.215%0.14823%0.229CC..Hα-helixtrans-69.5-40.7-177.1-67.5-56.9176.7-171.20112.6F376 Y377 Y380 D394 F395 N400 E402F376-K398 HydrophobicContact CE1-CB 4.27Å; Y377-K398 HydrophobicContact CD2-CB 4.16Å; Y377-K398 HydrophobicContact CE2-CB 4.22Å; Y377-K398 HydrophobicContact CE2-CG 4.16Å; Y380-K398 HydrophobicContact CD1-CG 4.43Å; Y380-K398 HydrophobicContact CE1-CD 3.77Å; Y380-K398 HydrophobicContact CE1-CG 4Å; Y380-K398 WeakPolarHBondContact OH-CE 3.33Å; Y380-K398 PolarHBondContact OH-NZ 3.29Å; D394-K398 WeakPolarHBondContact O-CB 3.44Å; D394-K398 VanDerWaalsContact O-CG 3.25Å; D394-K398 WeakPolarHBondContact O-CG 3.41Å; D394-K398 PolarHBondContact O-N 3.31Å; D394-K398 WeakPolarHBondContact OD1-CE 3.47Å; F395-K398 PolarHBondContact O-N 3.3Å; K398-N400 VanDerWaalsContact C-N 3.35Å; K398-N400 PolarHBondContact O-N 3.49Å; K398-E402 HydrophobicContact CD-CG 4.13Å; K398-E402 IonicContact NZ-OE1 3.29Å; K398-E402 WeakPolarHBondContact O-CA 3.49Å; K398-E402 WeakPolarHBondContact O-CB 3.25Å; K398-E402 WeakPolarHBondContact O-CG 3.43Å; K398-E402 PolarHBondContact O-N 3.35Å
399V76.3Confident73.7Confident2 Ų239.6 Ų39.61%0.01222%0.223CC..Iπ-helixtrans-61.7-46.5174.8171.50000110.3I373 F376 F395 L403 S404 I521I373-V399 HydrophobicContact CG2-CB 4.39Å; I373-V399 HydrophobicContact CG2-CG1 3.9Å; I373-V399 HydrophobicContact CG2-CG2 3.55Å; F376-V399 HydrophobicContact CD1-CG2 3.91Å; F376-V399 HydrophobicContact CE1-CG2 3.95Å; F395-V399 HydrophobicContact CD2-CG2 4.45Å; F395-V399 HydrophobicContact CE1-CG2 4.34Å; F395-V399 HydrophobicContact CE2-CG2 4.21Å; F395-V399 HydrophobicContact CZ-CG2 4.15Å; F395-V399 WeakPolarHBondContact O-CB 3.39Å; F395-V399 WeakPolarHBondContact O-CG2 3.38Å; F395-V399 PolarHBondContact O-N 3.01Å; V399-L403 HydrophobicContact CG1-CD1 4.14Å; V399-L403 WeakPolarHBondContact O-CA 3.25Å; V399-L403 VanDerWaalsContact O-CB 3.25Å; V399-L403 WeakPolarHBondContact O-CB 3.42Å; V399-L403 PolarHBondContact O-N 3.41Å; V399-S404 PolarHBondContact O-N 2.94Å; V399-I521 HydrophobicContact CB-CD1 4.49Å; V399-I521 HydrophobicContact CG1-CD1 3.26Å
400N73.6Confident71.2Confident45 Ų4537.5 Ų37.524%0.24121%0.208CC..Iπ-helixtrans-70.3-42179.3-70.3-33.6000113.4A396 L397 K398 S404 N405A396-N400 WeakPolarHBondContact O-CB 3.33Å; A396-N400 VanDerWaalsContact O-CG 3.25Å; A396-N400 PolarHBondContact O-N 2.94Å; A396-N400 PolarHBondContact O-ND2 2.98Å; L397-N400 PolarHBondContact O-N 3.43Å; K398-N400 VanDerWaalsContact C-N 3.35Å; K398-N400 PolarHBondContact O-N 3.49Å; N400-S404 VanDerWaalsContact O-CB 3.27Å; N400-S404 WeakPolarHBondContact O-CB 3.27Å; N400-N405 PolarHBondContact O-N 3.35Å; N400-N405 PolarHBondContact O-ND2 2.88Å
401S70.9Confident68.8Low35 Ų3537.7 Ų37.725%0.24521%0.209CC..Iπ-helixtrans-80.7-32.6-175730000113.2L397 N405L397-S401 VanDerWaalsContact O-CB 3.25Å; L397-S401 WeakPolarHBondContact O-CB 3.15Å; L397-S401 PolarHBondContact O-N 3.03Å; L397-S401 PolarHBondContact O-OG 2.91Å; S401-N405 WeakPolarHBondContact O-CB 3.47Å
402E69.6Low66Low14 Ų1436.9 Ų36.97%0.06521%0.205CC..Iπ-helixtrans-99.7-45.9-176.3-49.1-62.1178.300111.5F376 Y380 K398 N406 L407 N409F376-E402 HydrophobicContact CE2-CB 4.3Å; F376-E402 HydrophobicContact CZ-CB 3.8Å; F376-E402 HydrophobicContact CZ-CG 4.38Å; Y380-E402 HydrophobicContact CE2-CG 4.28Å; K398-E402 HydrophobicContact CD-CG 4.13Å; K398-E402 IonicContact NZ-OE1 3.29Å; K398-E402 WeakPolarHBondContact O-CA 3.49Å; K398-E402 WeakPolarHBondContact O-CB 3.25Å; K398-E402 WeakPolarHBondContact O-CG 3.43Å; K398-E402 PolarHBondContact O-N 3.35Å; E402-N406 CarbonylContact O-C 3.56Å; E402-N406 WeakPolarHBondContact O-CA 3.38Å; E402-N406 PolarHBondContact O-N 3.05Å; E402-N406 VanDerWaalsContact O-N 3.11Å; E402-L407 WeakPolarHBondContact O-CA 3.21Å; E402-L407 PolarHBondContact O-N 3.46Å; E402-N409 VanDerWaalsContact CD-ND2 3.26Å; E402-N409 PolarHBondContact OE1-ND2 2.93Å; E402-N409 WeakPolarHBondContact OE2-CB 3.21Å; E402-N409 VanDerWaalsContact OE2-CG 3.23Å; E402-N409 PolarHBondContact OE2-ND2 3.46Å
403L66.8Low63.6Low17 Ų1740.6 Ų40.69%0.08922%0.219CC..Iπ-helixtrans-77.5-50.6179-65.4177.9000111.8I373 F376 V399 L407 M479I373-L403 HydrophobicContact CD1-CD1 3.6Å; F376-L403 HydrophobicContact CB-CD1 4.09Å; F376-L403 HydrophobicContact CD1-CD1 3.64Å; F376-L403 HydrophobicContact CD1-CG 3.97Å; F376-L403 HydrophobicContact CD2-CD1 4.02Å; F376-L403 HydrophobicContact CD2-CD2 3.46Å; F376-L403 VanDerWaalsContact CD2-CD2 3.46Å; F376-L403 HydrophobicContact CD2-CG 3.79Å; F376-L403 HydrophobicContact CE1-CD1 4.14Å; F376-L403 HydrophobicContact CE1-CG 4.03Å; F376-L403 HydrophobicContact CE2-CD1 4.49Å; F376-L403 HydrophobicContact CE2-CD2 3.71Å; F376-L403 HydrophobicContact CE2-CG 3.86Å; F376-L403 HydrophobicContact CG-CD1 3.62Å; F376-L403 HydrophobicContact CG-CD2 3.95Å; F376-L403 HydrophobicContact CG-CG 3.9Å; F376-L403 HydrophobicContact CZ-CD2 4.36Å; F376-L403 HydrophobicContact CZ-CG 4.01Å; V399-L403 HydrophobicContact CG1-CD1 4.14Å; V399-L403 WeakPolarHBondContact O-CA 3.25Å; V399-L403 VanDerWaalsContact O-CB 3.25Å; V399-L403 WeakPolarHBondContact O-CB 3.42Å; V399-L403 PolarHBondContact O-N 3.41Å; L403-L407 HydrophobicContact CD2-CD1 3.55Å; L403-M479 HydrophobicContact CD1-CE 3.86Å; L403-M479 HydrophobicContact CD2-CE 3.89Å; L403-M479 HydrophobicContact CD2-SD 3.73Å
404S60.3Low61.3Low60 Ų6036.1 Ų36.142%0.4219%0.191SC..Iπ-helixtrans-72.6-34.7-174.9-45.40000112.9V399 N400V399-S404 PolarHBondContact O-N 2.94Å; N400-S404 VanDerWaalsContact O-CB 3.27Å; N400-S404 WeakPolarHBondContact O-CB 3.27Å
405N55.4Low59.3Low112 Ų11234.4 Ų34.460%0.59918%0.181SC*.Hα-helixtrans-103.1-23.9-175.7-61.5-27.3000114.3N400 S401N400-N405 PolarHBondContact O-N 3.35Å; N400-N405 PolarHBondContact O-ND2 2.88Å; S401-N405 WeakPolarHBondContact O-CB 3.47Å
406N57.4Low57.4Low54 Ų5434.5 Ų34.529%0.28918%0.182SC..Hα-helixtrans-156.759.5-168.3-76.8-52.6000113.2E402 G408 N409E402-N406 CarbonylContact O-C 3.56Å; E402-N406 WeakPolarHBondContact O-CA 3.38Å; E402-N406 PolarHBondContact O-N 3.05Å; E402-N406 VanDerWaalsContact O-N 3.11Å; N406-G408 CarbonylContact O-C 3.53Å; N406-G408 WeakPolarHBondContact O-CA 3.43Å; N406-G408 PolarHBondContact O-N 3.06Å; N406-N409 PolarHBondContact O-N 3.33Å
407L54Low55.4Low47 Ų4736.2 Ų36.225%0.24619%0.188CC..THydrogen-bonded Turntrans-45.1-25.8-178.8-169.967000113E402 L403 N409 L475 I486E402-L407 WeakPolarHBondContact O-CA 3.21Å; E402-L407 PolarHBondContact O-N 3.46Å; L403-L407 HydrophobicContact CD2-CD1 3.55Å; L407-N409 PolarHBondContact O-N 2.92Å; L407-L475 HydrophobicContact CD2-CD2 4.19Å; L407-I486 HydrophobicContact CD2-CD1 4.5Å
408G44.3Very low53.6Low2 Ų232.7 Ų32.72%0.02117%0.17CC..Hα-helixtrans-50.8-42.7168.200000118.1N406 F410 T428N406-G408 CarbonylContact O-C 3.53Å; N406-G408 WeakPolarHBondContact O-CA 3.43Å; N406-G408 PolarHBondContact O-N 3.06Å; G408-F410 PolarHBondContact O-N 3.05Å; G408-T428 WeakPolarHBondContact O-CA 3.29Å; G408-T428 VanDerWaalsContact O-CB 3.24Å; G408-T428 WeakPolarHBondContact O-CB 3.45Å; G408-T428 PolarHBondContact O-N 2.68Å; G408-T428 PolarHBondContact O-OG1 2.98Å
409N39.6Very low52.1Low16 Ų1632 Ų329%0.08617%0.167CC..Hα-helixtrans-68.9-22.6-170.3-136.310.9000113.8E402 N406 L407 T428 R432E402-N409 VanDerWaalsContact CD-ND2 3.26Å; E402-N409 PolarHBondContact OE1-ND2 2.93Å; E402-N409 WeakPolarHBondContact OE2-CB 3.21Å; E402-N409 VanDerWaalsContact OE2-CG 3.23Å; E402-N409 PolarHBondContact OE2-ND2 3.46Å; N406-N409 PolarHBondContact O-N 3.33Å; L407-N409 PolarHBondContact O-N 2.92Å; N409-T428 VanDerWaalsContact CA-OG1 3.31Å; N409-T428 WeakPolarHBondContact CA-OG1 3.11Å; N409-T428 HydrophobicContact CB-CG2 4.17Å; N409-T428 WeakPolarHBondContact OD1-CG2 3.19Å; N409-R432 PolarHBondContact ND2-NH2 3.39Å; N409-R432 VanDerWaalsContact ND2-NH2 3.13Å; N409-R432 PolarHBondContact OD1-NH2 3.23Å
410F42.2Very low50.2Low0 Ų036.9 Ų36.90%019%0.19CC..Hα-helixtrans-62.7-47.6-179.6179.9-140.6000112.9F376 L379 G408 N412 R413 A414 L475 F478 M479F376-F410 HydrophobicContact CB-CE2 4.16Å; F376-F410 HydrophobicContact CB-CZ 4.01Å; F376-F410 HydrophobicContact CD2-CB 4.02Å; F376-F410 AromaticContact CD2-CD1 3.78Å; F376-F410 HydrophobicContact CD2-CD1 3.78Å; F376-F410 AromaticContact CD2-CD2 3.05Å; F376-F410 HydrophobicContact CD2-CD2 3.05Å; F376-F410 AromaticContact CD2-CE1 3.92Å; F376-F410 HydrophobicContact CD2-CE1 3.92Å; F376-F410 AromaticContact CD2-CE2 3.24Å; F376-F410 HydrophobicContact CD2-CE2 3.24Å; F376-F410 AromaticContact CD2-CG 3.33Å; F376-F410 HydrophobicContact CD2-CG 3.33Å; F376-F410 AromaticContact CD2-CZ 3.65Å; F376-F410 HydrophobicContact CD2-CZ 3.65Å; F376-F410 HydrophobicContact CE2-CB 3.64Å; F376-F410 HydrophobicContact CE2-CD1 4.29Å; F376-F410 AromaticContact CE2-CD2 3.16Å; F376-F410 HydrophobicContact CE2-CD2 3.16Å; F376-F410 AromaticContact CE2-CE2 3.81Å; F376-F410 HydrophobicContact CE2-CE2 3.81Å; F376-F410 AromaticContact CE2-CG 3.44Å; F376-F410 HydrophobicContact CE2-CG 3.44Å; F376-F410 VanDerWaalsContact CE2-CG 3.44Å; F376-F410 HydrophobicContact CG-CD2 4.19Å; F376-F410 AromaticContact CG-CE2 4Å; F376-F410 HydrophobicContact CG-CE2 4Å; F376-F410 HydrophobicContact CG-CZ 4.27Å; F376-F410 HydrophobicContact CZ-CD2 4.36Å; F376-F410 WeakPolarHBondContact O-CE2 3.34Å; L379-F410 HydrophobicContact CB-CE2 4.45Å; G408-F410 PolarHBondContact O-N 3.05Å; F410-N412 PolarHBondContact O-N 3.37Å; F410-R413 PolarHBondContact O-N 2.79Å; F410-R413 VanDerWaalsContact O-N 3.17Å; F410-A414 HydrophobicContact CE2-CB 4.35Å; F410-L475 HydrophobicContact CD1-CD1 3.76Å; F410-L475 HydrophobicContact CE1-CD1 3.91Å; F410-F478 HydrophobicContact CD1-CB 4.44Å; F410-F478 HydrophobicContact CE1-CB 3.3Å; F410-F478 AromaticContact CE1-CG 3.97Å; F410-F478 HydrophobicContact CE1-CG 3.97Å; F410-F478 HydrophobicContact CZ-CB 3.47Å; F410-F478 VanDerWaalsContact CZ-CB 3.47Å; F410-F478 HydrophobicContact CZ-CD1 4.18Å; F410-F478 HydrophobicContact CZ-CG 4.04Å; F410-M479 HydrophobicContact CD1-SD 3.99Å; F410-M479 HydrophobicContact CE1-CG 3.75Å; F410-M479 HydrophobicContact CE1-SD 3.63Å; F410-M479 HydrophobicContact CZ-CG 4.28Å; F410-M479 HydrophobicContact CZ-SD 4.38Å
411I44.1Very low48.3Very low4 Ų442.4 Ų42.42%0.02122%0.22CC..Hα-helixtrans-73-16.2-165.9-56.6171.2000111.7V427 L431 L474 L475I411-V427 HydrophobicContact CB-CB 3.77Å; I411-V427 HydrophobicContact CB-CG1 3.58Å; I411-V427 HydrophobicContact CB-CG2 4.39Å; I411-V427 HydrophobicContact CD1-CG1 3.53Å; I411-V427 HydrophobicContact CG1-CG1 4.1Å; I411-V427 HydrophobicContact CG2-CB 3.57Å; I411-V427 HydrophobicContact CG2-CG1 3.59Å; I411-V427 HydrophobicContact CG2-CG2 3.63Å; I411-L431 HydrophobicContact CD1-CD1 4.43Å; I411-L474 HydrophobicContact CD1-CB 4.37Å; I411-L474 HydrophobicContact CG2-CB 4.29Å; I411-L475 HydrophobicContact CD1-CB 4.38Å; I411-L475 HydrophobicContact CD1-CD1 4.35Å; I411-L475 HydrophobicContact CG1-CD1 4.46Å
412N33.2Very low46.5Very low33 Ų3345.9 Ų45.918%0.17624%0.235CC..THydrogen-bonded Turntrans-78.1-24.3174.2-85.111.1000114.4F410 A425 V427 T428F410-N412 PolarHBondContact O-N 3.37Å; N412-A425 VanDerWaalsContact ND2-C 3.32Å; N412-A425 WeakPolarHBondContact ND2-CA 3.47Å; N412-A425 PolarHBondContact ND2-O 2.84Å; N412-A425 VanDerWaalsContact OD1-C 3.23Å; N412-A425 PolarHBondContact OD1-O 3.34Å; N412-V427 PolarHBondContact OD1-N 3.46Å; N412-T428 WeakPolarHBondContact CB-OG1 3.45Å; N412-T428 WeakPolarHBondContact ND2-CB 3.26Å; N412-T428 PolarHBondContact ND2-OG1 3.49Å; N412-T428 PolarHBondContact OD1-N 3.1Å; N412-T428 VanDerWaalsContact OD1-N 3.07Å; N412-T428 PolarHBondContact OD1-OG1 2.84Å
413R39.7Very low45Very low130 Ų13048.4 Ų48.449%0.49124%0.244SC..THydrogen-bonded Turntrans-96.3-26.3-172.6-65-165.1-156.5-155.10.2114.7Y380 F410 Y415Y380-R413 HydrophobicContact CD2-CB 4.38Å; Y380-R413 VanDerWaalsContact CE2-CD 3.47Å; Y380-R413 HydrophobicContact CE2-CG 4.35Å; Y380-R413 VanDerWaalsContact CZ-CZ 3.49Å; Y380-R413 PolarHBondContact OH-NE 3.38Å; Y380-R413 PolarHBondContact OH-NH1 2.92Å; Y380-R413 PolarHBondContact OH-NH2 2.87Å; Y380-R413 VanDerWaalsContact OH-NH2 3.13Å; F410-R413 PolarHBondContact O-N 2.79Å; F410-R413 VanDerWaalsContact O-N 3.17Å; R413-Y415 PolarHBondContact O-N 2.72Å; R413-Y415 VanDerWaalsContact O-N 3.17Å
414A41Very low43.6Very low2 Ų254.5 Ų54.52%0.01727%0.265CS..  trans-84.719.8-173.300000114.4L379 F410 L416 F478L379-A414 HydrophobicContact CB-CB 4.07Å; F410-A414 HydrophobicContact CE2-CB 4.35Å; A414-L416 PolarHBondContact O-N 2.75Å; A414-F478 HydrophobicContact CB-CD1 3.44Å; A414-F478 VanDerWaalsContact CB-CD1 3.44Å; A414-F478 HydrophobicContact CB-CE1 3.14Å; A414-F478 HydrophobicContact CB-CZ 4.01Å; A414-F478 VanDerWaalsContact O-CE1 3.27Å; A414-F478 WeakPolarHBondContact O-CE1 3.37Å
415Y44.3Very low42.4Very low17 Ų1754.1 Ų54.17%0.06727%0.266CS..  trans-87.393.9-177.2-107.5-94.5000112.2R413 D417 M419R413-Y415 PolarHBondContact O-N 2.72Å; R413-Y415 VanDerWaalsContact O-N 3.17Å; Y415-D417 PolarHBondContact O-N 3.37Å; Y415-M419 HydrophobicContact CD1-CB 4.2Å; Y415-M419 HydrophobicContact CD1-SD 4.17Å; Y415-M419 HydrophobicContact CE1-CB 4.15Å; Y415-M419 HydrophobicContact CE1-CG 4.5Å; Y415-M419 HydrophobicContact CE1-SD 3.7Å
416L47.9Very low41.6Very low2 Ų256.7 Ų56.71%0.0127%0.267CS..  trans-39.6129169-62.4167.1000111.2S45 V48 F49 F308 R382 A414 N418 M419S45-L416 WeakPolarHBondContact O-CD1 3.41Å; V48-L416 HydrophobicContact CB-CD1 4.43Å; V48-L416 HydrophobicContact CG1-CD1 4.23Å; F49-L416 HydrophobicContact CB-CD1 3.97Å; F308-L416 HydrophobicContact CE1-CD1 3.95Å; F308-L416 HydrophobicContact CE1-CD2 4.46Å; F308-L416 HydrophobicContact CZ-CD1 4.34Å; R382-L416 VanDerWaalsContact NH1-CD2 3.35Å; A414-L416 PolarHBondContact O-N 2.75Å; L416-N418 PolarHBondContact O-N 3.15Å; L416-M419 PolarHBondContact O-N 3.47Å
417D41.1Very low41Very low57 Ų5754.3 Ų54.331%0.30526%0.255SS..THydrogen-bonded Turntrans-52.2-3179.6-103.2-31.9000116V229 Y415 R424V229-D417 WeakPolarHBondContact CG1-O 3.04Å; Y415-D417 PolarHBondContact O-N 3.37Å; D417-R424 IonicContact OD1-CZ 2.68Å; D417-R424 VanDerWaalsContact OD1-CZ 3.23Å; D417-R424 IonicContact OD1-NH1 3.52Å; D417-R424 PolarHBondContact OD1-NH1 2.84Å; D417-R424 VanDerWaalsContact OD1-NH1 3.13Å; D417-R424 IonicContact OD1-NH2 2.88Å; D417-R424 PolarHBondContact OD1-NH2 3.4Å
418N45.3Very low40.6Very low4 Ų452.3 Ų52.32%0.02124%0.244CC..THydrogen-bonded Turntrans-113.85.8-174.4-68-14.6000115.4V229 I338 S339 L416 E420V229-N418 VanDerWaalsContact CG1-OD1 3.29Å; V229-N418 WeakPolarHBondContact CG1-OD1 3.39Å; V229-N418 PolarHBondContact O-OD1 3.38Å; I338-N418 PolarHBondContact O-ND2 3.04Å; S339-N418 WeakPolarHBondContact CB-ND2 3.24Å; L416-N418 PolarHBondContact O-N 3.15Å; N418-E420 PolarHBondContact O-N 3.1Å
419M48.1Very low40.9Very low20 Ų2056.7 Ų56.710%0.09927%0.267CS..SBendtrans-85.5102.1170-68.9-162.3-17200109.8F49 Y52 Y415 L416 N421F49-M419 HydrophobicContact CD2-CE 3.75Å; F49-M419 HydrophobicContact CD2-CG 4Å; F49-M419 HydrophobicContact CE2-CG 4.02Å; Y52-M419 HydrophobicContact CD1-CE 3.54Å; Y52-M419 HydrophobicContact CD1-CG 4.24Å; Y52-M419 HydrophobicContact CD1-SD 3.46Å; Y52-M419 WeakPolarHBondContact CD1-SD 3.27Å; Y52-M419 HydrophobicContact CD2-CE 3.96Å; Y52-M419 HydrophobicContact CD2-SD 3.6Å; Y52-M419 HydrophobicContact CE1-CE 4.31Å; Y52-M419 HydrophobicContact CE1-CG 4.15Å; Y52-M419 HydrophobicContact CE1-SD 3.61Å; Y52-M419 HydrophobicContact CE2-SD 3.73Å; Y52-M419 HydrophobicContact CG-CE 3.32Å; Y52-M419 HydrophobicContact CG-SD 3.44Å; Y415-M419 HydrophobicContact CD1-CB 4.2Å; Y415-M419 HydrophobicContact CD1-SD 4.17Å; Y415-M419 HydrophobicContact CE1-CB 4.15Å; Y415-M419 HydrophobicContact CE1-CG 4.5Å; Y415-M419 HydrophobicContact CE1-SD 3.7Å; L416-M419 PolarHBondContact O-N 3.47Å; M419-N421 PolarHBondContact O-N 2.81Å
420E36.5Very low41.5Very low104 Ų10460 Ų6049%0.48628%0.278SS..THydrogen-bonded Turntrans-33.2101.7179-77.5172.2129.500113.1R19 N418 L422R19-E420 IonicContact CZ-OE2 3.8Å; R19-E420 VanDerWaalsContact CZ-OE2 3.29Å; R19-E420 IonicContact NH1-OE2 3.92Å; R19-E420 PolarHBondContact NH1-OE2 3.16Å; R19-E420 IonicContact NH2-OE1 3.88Å; R19-E420 IonicContact NH2-OE2 3.36Å; R19-E420 PolarHBondContact NH2-OE2 3.01Å; N418-E420 PolarHBondContact O-N 3.1Å; E420-L422 PolarHBondContact O-N 2.67Å; E420-L422 VanDerWaalsContact O-N 3.09Å
421N33.7Very low42.2Very low161 Ų16161.2 Ų61.286%0.86128%0.284SS*.THydrogen-bonded Turntrans62.49.9152-71.3-33000121.8M419M419-N421 PolarHBondContact O-N 2.81Å
422L31.4Very low43Very low108 Ų10866.8 Ų66.857%0.56531%0.305SS*.  trans-140.8121.8-176-84.4166000115.6E420E420-L422 PolarHBondContact O-N 2.67Å; E420-L422 VanDerWaalsContact O-N 3.09Å
423R39.9Very low44.3Very low66 Ų6669.9 Ų69.925%0.24932%0.321CS..  trans98.926.5151.7-55.4175.1-173.2-157-0.3120.5A425 R426 D499R423-A425 PolarHBondContact O-N 2.94Å; R423-R426 PolarHBondContact O-N 2.59Å; R423-D499 PolarHBondContact NH2-O 2.88Å
424R36.3Very low45.3Very low145 Ų14564.7 Ų64.755%0.54730%0.304SS..THydrogen-bonded Turntrans-53.5-15.5171.4-84-171.3-176.6161.421117.5D417D417-R424 IonicContact OD1-CZ 2.68Å; D417-R424 VanDerWaalsContact OD1-CZ 3.23Å; D417-R424 IonicContact OD1-NH1 3.52Å; D417-R424 PolarHBondContact OD1-NH1 2.84Å; D417-R424 VanDerWaalsContact OD1-NH1 3.13Å; D417-R424 IonicContact OD1-NH2 2.88Å; D417-R424 PolarHBondContact OD1-NH2 3.4Å
425A36Very low46.4Very low52 Ų5268.2 Ų68.243%0.4332%0.323SS..THydrogen-bonded Turntrans-124-13.9-17500000115.2N412 R423 I429N412-A425 VanDerWaalsContact ND2-C 3.32Å; N412-A425 WeakPolarHBondContact ND2-CA 3.47Å; N412-A425 PolarHBondContact ND2-O 2.84Å; N412-A425 VanDerWaalsContact OD1-C 3.23Å; N412-A425 PolarHBondContact OD1-O 3.34Å; R423-A425 PolarHBondContact O-N 2.94Å; A425-I429 HydrophobicContact CB-CD1 4.34Å; A425-I429 WeakPolarHBondContact O-CD1 3.49Å; A425-I429 WeakPolarHBondContact O-CG1 3.23Å
426R39Very low47.5Very low166 Ų16673.6 Ų73.663%0.62635%0.348SS*.Hα-helixtrans-82.8-35.9-160.3-82-179.3153.9176-4.8114.4R423 W430R423-R426 PolarHBondContact O-N 2.59Å; R426-W430 VanDerWaalsContact O-CB 3.25Å; R426-W430 WeakPolarHBondContact O-CB 3.42Å; R426-W430 PolarHBondContact O-N 3.35Å
427V44Very low48.2Very low5 Ų576.9 Ų76.93%0.0336%0.363CS..Hα-helixtrans-76-39.9-167.3-172.80000112.2I411 N412 W430 L431 L471 L474I411-V427 HydrophobicContact CB-CB 3.77Å; I411-V427 HydrophobicContact CB-CG1 3.58Å; I411-V427 HydrophobicContact CB-CG2 4.39Å; I411-V427 HydrophobicContact CD1-CG1 3.53Å; I411-V427 HydrophobicContact CG1-CG1 4.1Å; I411-V427 HydrophobicContact CG2-CB 3.57Å; I411-V427 HydrophobicContact CG2-CG1 3.59Å; I411-V427 HydrophobicContact CG2-CG2 3.63Å; N412-V427 PolarHBondContact OD1-N 3.46Å; V427-W430 PolarHBondContact O-N 3.25Å; V427-L431 HydrophobicContact CG1-CD1 4.29Å; V427-L431 PolarHBondContact O-N 3.02Å; V427-L471 HydrophobicContact CG1-CD2 4.21Å; V427-L474 HydrophobicContact CG1-CD1 4.26Å; V427-L474 HydrophobicContact CG2-CD1 3.73Å
428T45Very low49.2Very low4 Ų476.8 Ų76.83%0.02536%0.362CS..Hα-helixtrans-65.1-44.7173.4-570000112.6G408 N409 N412 W430 L431 R432G408-T428 WeakPolarHBondContact O-CA 3.29Å; G408-T428 VanDerWaalsContact O-CB 3.24Å; G408-T428 WeakPolarHBondContact O-CB 3.45Å; G408-T428 PolarHBondContact O-N 2.68Å; G408-T428 PolarHBondContact O-OG1 2.98Å; N409-T428 VanDerWaalsContact CA-OG1 3.31Å; N409-T428 WeakPolarHBondContact CA-OG1 3.11Å; N409-T428 HydrophobicContact CB-CG2 4.17Å; N409-T428 WeakPolarHBondContact OD1-CG2 3.19Å; N412-T428 WeakPolarHBondContact CB-OG1 3.45Å; N412-T428 WeakPolarHBondContact ND2-CB 3.26Å; N412-T428 PolarHBondContact ND2-OG1 3.49Å; N412-T428 PolarHBondContact OD1-N 3.1Å; N412-T428 VanDerWaalsContact OD1-N 3.07Å; N412-T428 PolarHBondContact OD1-OG1 2.84Å; T428-W430 PolarHBondContact O-N 3.49Å; T428-L431 PolarHBondContact O-N 3.44Å; T428-R432 HydrophobicContact CG2-CG 4.21Å; T428-R432 WeakPolarHBondContact O-CB 3.3Å; T428-R432 WeakPolarHBondContact O-CG 3.26Å; T428-R432 PolarHBondContact O-N 3.07Å
429I50.5Low50.2Low95 Ų9582.2 Ų82.249%0.48739%0.387SS..Hα-helixtrans-57.8-44177.3-69.2174.6000107.9A425 L433A425-I429 HydrophobicContact CB-CD1 4.34Å; A425-I429 WeakPolarHBondContact O-CD1 3.49Å; A425-I429 WeakPolarHBondContact O-CG1 3.23Å; I429-L433 HydrophobicContact CG2-CD1 3.61Å; I429-L433 HydrophobicContact CG2-CG 4.19Å; I429-L433 WeakPolarHBondContact O-CB 3.38Å; I429-L433 WeakPolarHBondContact O-CD1 3.4Å; I429-L433 WeakPolarHBondContact O-CG 3.46Å; I429-L433 PolarHBondContact O-N 3.49Å
430W53.1Low51.3Low85 Ų8584.8 Ų84.832%0.32241%0.407SS..Hα-helixtrans-67.5-45-178.1-143.781.9000113.6R426 V427 T428 L433 C434 A467 L471 F501R426-W430 VanDerWaalsContact O-CB 3.25Å; R426-W430 WeakPolarHBondContact O-CB 3.42Å; R426-W430 PolarHBondContact O-N 3.35Å; V427-W430 PolarHBondContact O-N 3.25Å; T428-W430 PolarHBondContact O-N 3.49Å; W430-L433 CarbonylContact O-C 3.47Å; W430-L433 WeakPolarHBondContact O-CB 3.44Å; W430-L433 PolarHBondContact O-N 2.98Å; W430-C434 VanDerWaalsContact CE3-SG 3.58Å; W430-C434 PolarHBondContact O-N 3.42Å; W430-C434 PolarHBondContact O-SG 2.79Å; W430-A467 HydrophobicContact CE3-CB 4.36Å; W430-A467 HydrophobicContact CH2-CB 3.41Å; W430-A467 VanDerWaalsContact CH2-CB 3.41Å; W430-A467 HydrophobicContact CZ3-CB 3.24Å; W430-L471 HydrophobicContact CD2-CD1 4.4Å; W430-L471 HydrophobicContact CE3-CD1 3.28Å; W430-L471 HydrophobicContact CE3-CD2 4Å; W430-L471 HydrophobicContact CE3-CG 3.76Å; W430-L471 HydrophobicContact CZ3-CD1 3.61Å; W430-L471 HydrophobicContact CZ3-CD2 4.28Å; W430-L471 HydrophobicContact CZ3-CG 3.74Å; W430-F501 AromaticContact CH2-CD2 3.44Å; W430-F501 HydrophobicContact CH2-CD2 3.44Å; W430-F501 VanDerWaalsContact CH2-CD2 3.44Å; W430-F501 AromaticContact CH2-CE2 3.33Å; W430-F501 HydrophobicContact CH2-CE2 3.33Å; W430-F501 HydrophobicContact CH2-CG 4.44Å; W430-F501 HydrophobicContact CH2-CZ 4.19Å; W430-F501 AromaticContact CZ2-CD2 3.56Å; W430-F501 HydrophobicContact CZ2-CD2 3.56Å; W430-F501 AromaticContact CZ2-CE2 3.87Å; W430-F501 HydrophobicContact CZ2-CE2 3.87Å; W430-F501 HydrophobicContact CZ2-CG 4.19Å; W430-F501 HydrophobicContact CZ3-CE2 4.41Å
431L56.1Low52.8Low25 Ų2581.3 Ų81.313%0.13139%0.394CS..Hα-helixtrans-69.5-36.9176.9-83.5165.9000113.1I411 V427 T428 L433 C434 N435 L471I411-L431 HydrophobicContact CD1-CD1 4.43Å; V427-L431 HydrophobicContact CG1-CD1 4.29Å; V427-L431 PolarHBondContact O-N 3.02Å; T428-L431 PolarHBondContact O-N 3.44Å; L431-L433 VanDerWaalsContact C-N 3.33Å; L431-C434 PolarHBondContact O-N 3.36Å; L431-N435 PolarHBondContact O-N 3.32Å; L431-L471 HydrophobicContact CD1-CD1 3.83Å; L431-L471 HydrophobicContact CD2-CD1 3.54Å; L431-L471 HydrophobicContact CG-CD1 3.35Å
432R60.5Low54.8Low121 Ų12178 Ų7846%0.45737%0.373SS..Hα-helixtrans-64.2-40170.6-72.6-173.5-165.6-1797111.3N409 T428 C434 N435 H436N409-R432 PolarHBondContact ND2-NH2 3.39Å; N409-R432 VanDerWaalsContact ND2-NH2 3.13Å; N409-R432 PolarHBondContact OD1-NH2 3.23Å; T428-R432 HydrophobicContact CG2-CG 4.21Å; T428-R432 WeakPolarHBondContact O-CB 3.3Å; T428-R432 WeakPolarHBondContact O-CG 3.26Å; T428-R432 PolarHBondContact O-N 3.07Å; R432-C434 VanDerWaalsContact C-N 3.35Å; R432-N435 PolarHBondContact O-N 2.81Å; R432-H436 VanDerWaalsContact O-CB 3.28Å; R432-H436 WeakPolarHBondContact O-CB 3.39Å; R432-H436 PolarHBondContact O-N 3.5Å
433L61.5Low56.4Low98 Ų9873.5 Ų73.551%0.51335%0.351SS..Hα-helixtrans-63-40.8173.6-76.2169.8000111.1I429 W430 L431 H436 F437I429-L433 HydrophobicContact CG2-CD1 3.61Å; I429-L433 HydrophobicContact CG2-CG 4.19Å; I429-L433 WeakPolarHBondContact O-CB 3.38Å; I429-L433 WeakPolarHBondContact O-CD1 3.4Å; I429-L433 WeakPolarHBondContact O-CG 3.46Å; I429-L433 PolarHBondContact O-N 3.49Å; W430-L433 CarbonylContact O-C 3.47Å; W430-L433 WeakPolarHBondContact O-CB 3.44Å; W430-L433 PolarHBondContact O-N 2.98Å; L431-L433 VanDerWaalsContact C-N 3.33Å; L433-H436 PolarHBondContact O-N 2.74Å; L433-F437 WeakPolarHBondContact O-CB 3.49Å; L433-F437 PolarHBondContact O-N 3.34Å
434C60Low58.1Low21 Ų2175.8 Ų75.814%0.14236%0.359CS..Hα-helixtrans-62.7-46.4174.3-70.10000111.9W430 L431 R432 F437 I438W430-C434 VanDerWaalsContact CE3-SG 3.58Å; W430-C434 PolarHBondContact O-N 3.42Å; W430-C434 PolarHBondContact O-SG 2.79Å; L431-C434 PolarHBondContact O-N 3.36Å; R432-C434 VanDerWaalsContact C-N 3.35Å; C434-F437 WeakPolarHBondContact O-CB 3.44Å; C434-F437 PolarHBondContact O-N 2.82Å; C434-I438 VanDerWaalsContact O-CG1 3.32Å; C434-I438 WeakPolarHBondContact O-CG1 3.43Å; C434-I438 PolarHBondContact O-N 3.25Å
435N64.2Low60.1Low77 Ų7772 Ų7241%0.41235%0.352SS..Hα-helixtrans-61.2-47.4175.8-80.6-11000111.3L431 R432 F437 I438 Q439L431-N435 PolarHBondContact O-N 3.32Å; R432-N435 PolarHBondContact O-N 2.81Å; N435-F437 VanDerWaalsContact C-N 3.32Å; N435-F437 PolarHBondContact O-N 2.96Å; N435-I438 PolarHBondContact O-N 3.3Å; N435-Q439 VanDerWaalsContact O-CB 3.3Å; N435-Q439 WeakPolarHBondContact O-CB 3.46Å; N435-Q439 PolarHBondContact O-N 3.4Å
436H66.8Low61.9Low129 Ų12970.7 Ų70.760%0.59734%0.338SS*.Hα-helixtrans-61.4-40.6176.3-176.576.9000111.9R432 L433 Q439 S440R432-H436 VanDerWaalsContact O-CB 3.28Å; R432-H436 WeakPolarHBondContact O-CB 3.39Å; R432-H436 PolarHBondContact O-N 3.5Å; L433-H436 PolarHBondContact O-N 2.74Å; H436-Q439 PolarHBondContact O-N 2.97Å; H436-S440 VanDerWaalsContact O-CB 3.25Å; H436-S440 WeakPolarHBondContact O-CB 3.43Å; H436-S440 PolarHBondContact O-N 3.46Å; H436-S440 PolarHBondContact O-OG 3.26Å
437F63Low63.6Low72 Ų7266 Ų6632%0.31633%0.327SS..Hα-helixtrans-63.2-46.7176.9173.4-102.8000112L433 C434 N435 S440 S441 L460 L463L433-F437 WeakPolarHBondContact O-CB 3.49Å; L433-F437 PolarHBondContact O-N 3.34Å; C434-F437 WeakPolarHBondContact O-CB 3.44Å; C434-F437 PolarHBondContact O-N 2.82Å; N435-F437 VanDerWaalsContact C-N 3.32Å; N435-F437 PolarHBondContact O-N 2.96Å; F437-S440 WeakPolarHBondContact CA-OG 3.48Å; F437-S440 PolarHBondContact O-OG 2.99Å; F437-S440 VanDerWaalsContact O-OG 3.13Å; F437-S441 WeakPolarHBondContact O-CB 3.16Å; F437-S441 PolarHBondContact O-N 3.38Å; F437-S441 PolarHBondContact O-OG 2.82Å; F437-L460 HydrophobicContact CE1-CD2 3.72Å; F437-L460 HydrophobicContact CE2-CD2 3.95Å; F437-L460 HydrophobicContact CZ-CD2 3.19Å; F437-L463 HydrophobicContact CE1-CD2 3.89Å; F437-L463 HydrophobicContact CZ-CD2 3.78Å
438I63.4Low65.4Low54 Ų5474.2 Ų74.228%0.27736%0.363SS..Hα-helixtrans-63.6-45.1176.7-68167.8000110.1C434 N435 S441 Q442 P443 W444 A464C434-I438 VanDerWaalsContact O-CG1 3.32Å; C434-I438 WeakPolarHBondContact O-CG1 3.43Å; C434-I438 PolarHBondContact O-N 3.25Å; N435-I438 PolarHBondContact O-N 3.3Å; I438-S441 PolarHBondContact O-N 3.25Å; I438-Q442 PolarHBondContact O-N 3.24Å; I438-P443 HydrophobicContact CG2-CG 4.28Å; I438-P443 VanDerWaalsContact O-CD 3.27Å; I438-P443 WeakPolarHBondContact O-CD 3.43Å; I438-W444 HydrophobicContact CG2-CZ3 3.99Å; I438-A464 HydrophobicContact CD1-CB 3.6Å; I438-A464 HydrophobicContact CG1-CB 3.92Å
439Q66.2Low67.1Low119 Ų11976.4 Ų76.456%0.55638%0.378SS*.Hα-helixtrans-65.4-43-178.4-164.566.127.700112.4N435 H436 Q442N435-Q439 VanDerWaalsContact O-CB 3.3Å; N435-Q439 WeakPolarHBondContact O-CB 3.46Å; N435-Q439 PolarHBondContact O-N 3.4Å; H436-Q439 PolarHBondContact O-N 2.97Å; Q439-Q442 WeakPolarHBondContact O-CG 3.34Å
440S70.1Confident68.8Low74 Ų7475 Ų7552%0.51738%0.377SS..Hα-helixtrans-72.1-32177.954.90000112.5H436 F437H436-S440 VanDerWaalsContact O-CB 3.25Å; H436-S440 WeakPolarHBondContact O-CB 3.43Å; H436-S440 PolarHBondContact O-N 3.46Å; H436-S440 PolarHBondContact O-OG 3.26Å; F437-S440 WeakPolarHBondContact CA-OG 3.48Å; F437-S440 PolarHBondContact O-OG 2.99Å; F437-S440 VanDerWaalsContact O-OG 3.13Å
441S68.7Low70.2Confident31 Ų3174.4 Ų74.422%0.21739%0.39CS..Hα-helixtrans-84.3-16.8-178.6-53.50000114.1F437 I438 L446F437-S441 WeakPolarHBondContact O-CB 3.16Å; F437-S441 PolarHBondContact O-N 3.38Å; F437-S441 PolarHBondContact O-OG 2.82Å; I438-S441 PolarHBondContact O-N 3.25Å; S441-L446 VanDerWaalsContact O-CD1 3.3Å; S441-L446 WeakPolarHBondContact O-CD1 3.23Å
442Q75.8Confident71.6Confident91 Ų9177.8 Ų77.843%0.42542%0.416SS..  trans42.756.7177.3-57.6-173.82.100114.3I438 Q439 W444 V445 L446I438-Q442 PolarHBondContact O-N 3.24Å; Q439-Q442 WeakPolarHBondContact O-CG 3.34Å; Q442-W444 HydrophobicContact CB-CZ2 4.09Å; Q442-W444 HydrophobicContact CG-CH2 4.33Å; Q442-W444 HydrophobicContact CG-CZ2 3.91Å; Q442-W444 PolarHBondContact O-N 3.33Å; Q442-W444 VanDerWaalsContact O-N 3.09Å; Q442-V445 HydrophobicContact CB-CB 4.2Å; Q442-V445 HydrophobicContact CB-CG2 3.98Å; Q442-V445 WeakPolarHBondContact O-CB 3.5Å; Q442-V445 PolarHBondContact O-N 2.84Å; Q442-L446 PolarHBondContact O-N 3.49Å
443P63.7Low72.7Confident13 Ų1375.4 Ų75.48%0.08441%0.41CS..Hα-helixtrans-59.4-26.9-175.322.8-32.9000113.5I438 V445 L446 V447 A457 I461I438-P443 HydrophobicContact CG2-CG 4.28Å; I438-P443 VanDerWaalsContact O-CD 3.27Å; I438-P443 WeakPolarHBondContact O-CD 3.43Å; P443-V445 PolarHBondContact O-N 2.86Å; P443-L446 PolarHBondContact O-N 3.26Å; P443-V447 WeakPolarHBondContact O-CB 3.28Å; P443-V447 PolarHBondContact O-N 2.91Å; P443-A457 HydrophobicContact CB-CB 4.45Å; P443-I461 HydrophobicContact CB-CD1 4.34Å; P443-I461 HydrophobicContact CB-CG1 4.04Å; P443-I461 HydrophobicContact CG-CG1 4.49Å
444W76.7Confident73.7Confident114 Ų11477.2 Ų77.243%0.43241%0.41SS..Hα-helixtrans-69.3-18.917560.388.4000114.1I438 Q442 K448I438-W444 HydrophobicContact CG2-CZ3 3.99Å; Q442-W444 HydrophobicContact CB-CZ2 4.09Å; Q442-W444 HydrophobicContact CG-CH2 4.33Å; Q442-W444 HydrophobicContact CG-CZ2 3.91Å; Q442-W444 PolarHBondContact O-N 3.33Å; Q442-W444 VanDerWaalsContact O-N 3.09Å; W444-K448 WeakPolarHBondContact O-CE 3.31Å
445V77.9Confident74.8Confident65 Ų6580.3 Ų80.339%0.39443%0.432SS..Hα-helixtrans-85.4-51.4170.8-179.10000109.1Q442 P443 V447 K448Q442-V445 HydrophobicContact CB-CB 4.2Å; Q442-V445 HydrophobicContact CB-CG2 3.98Å; Q442-V445 WeakPolarHBondContact O-CB 3.5Å; Q442-V445 PolarHBondContact O-N 2.84Å; P443-V445 PolarHBondContact O-N 2.86Å; V445-V447 PolarHBondContact O-N 3.36Å; V445-V447 VanDerWaalsContact O-N 3.17Å; V445-K448 PolarHBondContact O-N 3.26Å
446L74.4Confident75.6Confident25 Ų2583 Ų8313%0.13144%0.44CS..Hα-helixtrans-57-34-178.3-65177.4000113.2S441 Q442 P443 K448 S449 E453 A457 L460S441-L446 VanDerWaalsContact O-CD1 3.3Å; S441-L446 WeakPolarHBondContact O-CD1 3.23Å; Q442-L446 PolarHBondContact O-N 3.49Å; P443-L446 PolarHBondContact O-N 3.26Å; L446-K448 PolarHBondContact O-N 2.91Å; L446-S449 WeakPolarHBondContact O-CB 3.29Å; L446-S449 PolarHBondContact O-N 3.13Å; L446-E453 HydrophobicContact CB-CB 4.47Å; L446-E453 HydrophobicContact CD2-CB 4.36Å; L446-E453 HydrophobicContact CD2-CG 4.45Å; L446-A457 HydrophobicContact CB-CB 3.83Å; L446-L460 HydrophobicContact CD1-CD1 3.65Å
447V74.5Confident75.9Confident68 Ų6876.9 Ų76.941%0.41241%0.412SS..THydrogen-bonded Turntrans-65.7-20.2179.278.70000113.3P443 V445 R454 A457P443-V447 WeakPolarHBondContact O-CB 3.28Å; P443-V447 PolarHBondContact O-N 2.91Å; V445-V447 PolarHBondContact O-N 3.36Å; V445-V447 VanDerWaalsContact O-N 3.17Å; V447-R454 HydrophobicContact CG2-CG 4.43Å; V447-R454 WeakPolarHBondContact O-CD 3.27Å; V447-R454 WeakPolarHBondContact O-CG 3.36Å; V447-A457 HydrophobicContact CB-CB 4.23Å
448K81.1Confident76.5Confident177 Ų17776.2 Ų76.277%0.7742%0.419SS*.THydrogen-bonded Turntrans-91.9-0.6-179.7-59.1179-174.4176.70113.1W444 V445 L446W444-K448 WeakPolarHBondContact O-CE 3.31Å; V445-K448 PolarHBondContact O-N 3.26Å; L446-K448 PolarHBondContact O-N 2.91Å
449S81.3Confident77.2Confident51 Ų5175.7 Ų75.736%0.35743%0.427SS..SBendtrans-99.9-149.6-173.3-62.80000112.9L446 E453L446-S449 WeakPolarHBondContact O-CB 3.29Å; L446-S449 PolarHBondContact O-N 3.13Å; S449-E453 WeakPolarHBondContact CB-OE2 3.41Å; S449-E453 PolarHBondContact OG-OE2 3.41Å
450S86Confident77.6Confident65 Ų6571.2 Ų71.246%0.45541%0.407SS..  trans-61.9164179.5770000113.2S452 E453 R454S450-S452 PolarHBondContact O-N 3.28Å; S450-E453 PolarHBondContact O-N 3.17Å; S450-E453 PolarHBondContact OG-N 2.74Å; S450-R454 PolarHBondContact O-N 3.42Å
451A83.1Confident77.7Confident73 Ų7371.6 Ų71.660%0.60340%0.402SS*.Hα-helixtrans-59-35.6176.300000112.9R454 S455A451-R454 PolarHBondContact O-N 3.32Å; A451-S455 PolarHBondContact O-N 2.97Å; A451-S455 VanDerWaalsContact O-N 3.11Å
452S84Confident78.1Confident95 Ų9572.6 Ų72.666%0.66441%0.409SS*.Hα-helixtrans-65.1-44.8175.7-178.60000111.7S450 R454 S455 K456S450-S452 PolarHBondContact O-N 3.28Å; S452-R454 PolarHBondContact O-N 3.21Å; S452-S455 WeakPolarHBondContact O-CB 3.34Å; S452-S455 PolarHBondContact O-N 2.84Å; S452-K456 PolarHBondContact O-N 2.89Å
453E85.1Confident78.1Confident71 Ų7172 Ų7233%0.33241%0.409SS..Hα-helixtrans-68.2-34.6177.6-66-145.713200112.7L446 S449 S450 S455 K456 A457L446-E453 HydrophobicContact CB-CB 4.47Å; L446-E453 HydrophobicContact CD2-CB 4.36Å; L446-E453 HydrophobicContact CD2-CG 4.45Å; S449-E453 WeakPolarHBondContact CB-OE2 3.41Å; S449-E453 PolarHBondContact OG-OE2 3.41Å; S450-E453 PolarHBondContact O-N 3.17Å; S450-E453 PolarHBondContact OG-N 2.74Å; E453-S455 VanDerWaalsContact C-N 3.34Å; E453-S455 PolarHBondContact O-N 3.5Å; E453-K456 WeakPolarHBondContact O-CB 3.47Å; E453-K456 PolarHBondContact O-N 3.02Å; E453-A457 WeakPolarHBondContact O-CB 3.44Å; E453-A457 PolarHBondContact O-N 3.06Å
454R81.3Confident78.5Confident137 Ų13772 Ų7252%0.51741%0.41SS..Hα-helixtrans-59.9-42.9171.1-83.7-173.8-85.3168.4-5.2112.5V447 S450 A451 S452 K456 A457 A458V447-R454 HydrophobicContact CG2-CG 4.43Å; V447-R454 WeakPolarHBondContact O-CD 3.27Å; V447-R454 WeakPolarHBondContact O-CG 3.36Å; S450-R454 PolarHBondContact O-N 3.42Å; A451-R454 PolarHBondContact O-N 3.32Å; S452-R454 PolarHBondContact O-N 3.21Å; R454-K456 VanDerWaalsContact C-N 3.34Å; R454-A457 PolarHBondContact O-N 3.28Å; R454-A458 PolarHBondContact O-N 2.96Å
455S83.7Confident78.3Confident86 Ų8668.3 Ų68.360%0.60140%0.399SS*.Hα-helixtrans-62.9-42174.7-171.50000111.5A451 S452 E453 A458 G459A451-S455 PolarHBondContact O-N 2.97Å; A451-S455 VanDerWaalsContact O-N 3.11Å; S452-S455 WeakPolarHBondContact O-CB 3.34Å; S452-S455 PolarHBondContact O-N 2.84Å; E453-S455 VanDerWaalsContact C-N 3.34Å; E453-S455 PolarHBondContact O-N 3.5Å; S455-A458 PolarHBondContact O-N 3.4Å; S455-G459 PolarHBondContact O-N 2.79Å
456K81.9Confident78.4Confident134 Ų13465.4 Ų65.458%0.58338%0.381SS*.Hα-helixtrans-61.3-45.8174.4-165.8178.3-178.2-176.40111.7S452 E453 R454 A458 G459 L460S452-K456 PolarHBondContact O-N 2.89Å; E453-K456 WeakPolarHBondContact O-CB 3.47Å; E453-K456 PolarHBondContact O-N 3.02Å; R454-K456 VanDerWaalsContact C-N 3.34Å; K456-A458 VanDerWaalsContact C-N 3.32Å; K456-A458 PolarHBondContact O-N 2.79Å; K456-G459 PolarHBondContact O-N 3.41Å; K456-L460 HydrophobicContact CG-CD1 4.45Å; K456-L460 VanDerWaalsContact O-CG 3.28Å; K456-L460 WeakPolarHBondContact O-CG 3.37Å; K456-L460 PolarHBondContact O-N 3.46Å
457A72.8Confident78.3Confident0 Ų064.3 Ų64.30%038%0.376CS..Hα-helixtrans-57.7-44175.600000111.7P443 L446 V447 E453 R454 G459 L460 I461P443-A457 HydrophobicContact CB-CB 4.45Å; L446-A457 HydrophobicContact CB-CB 3.83Å; V447-A457 HydrophobicContact CB-CB 4.23Å; E453-A457 WeakPolarHBondContact O-CB 3.44Å; E453-A457 PolarHBondContact O-N 3.06Å; R454-A457 PolarHBondContact O-N 3.28Å; A457-G459 PolarHBondContact O-N 3.26Å; A457-L460 PolarHBondContact O-N 2.97Å; A457-I461 VanDerWaalsContact O-CG1 3.28Å; A457-I461 WeakPolarHBondContact O-CG1 3.27Å; A457-I461 PolarHBondContact O-N 3.41Å
458A75.6Confident78.3Confident58 Ų5864.7 Ų64.748%0.47938%0.375SS..Hα-helixtrans-61.4-42.1176.500000112.2R454 S455 K456 I461 S462R454-A458 PolarHBondContact O-N 2.96Å; S455-A458 PolarHBondContact O-N 3.4Å; K456-A458 VanDerWaalsContact C-N 3.32Å; K456-A458 PolarHBondContact O-N 2.79Å; A458-I461 PolarHBondContact O-N 3Å; A458-S462 VanDerWaalsContact O-CB 3.29Å; A458-S462 WeakPolarHBondContact O-CB 3.25Å; A458-S462 PolarHBondContact O-N 2.95Å
459G78.2Confident78.2Confident42 Ų4256.8 Ų56.843%0.43334%0.343SS..Hα-helixtrans-62-43.2174.600000113.1S455 K456 A457 S462 L463S455-G459 PolarHBondContact O-N 2.79Å; K456-G459 PolarHBondContact O-N 3.41Å; A457-G459 PolarHBondContact O-N 3.26Å; G459-S462 PolarHBondContact O-N 3.33Å; G459-L463 PolarHBondContact O-N 3.47Å
460L74.2Confident77.9Confident25 Ų2555.2 Ų55.213%0.13133%0.331CS..Hα-helixtrans-63.6-45.7177.4-66.2168.5000112F437 L446 K456 A457 L463 A464F437-L460 HydrophobicContact CE1-CD2 3.72Å; F437-L460 HydrophobicContact CE2-CD2 3.95Å; F437-L460 HydrophobicContact CZ-CD2 3.19Å; L446-L460 HydrophobicContact CD1-CD1 3.65Å; K456-L460 HydrophobicContact CG-CD1 4.45Å; K456-L460 VanDerWaalsContact O-CG 3.28Å; K456-L460 WeakPolarHBondContact O-CG 3.37Å; K456-L460 PolarHBondContact O-N 3.46Å; A457-L460 PolarHBondContact O-N 2.97Å; L460-L463 PolarHBondContact O-N 2.93Å; L460-A464 PolarHBondContact O-N 3.45Å
461I72.5Confident77.2Confident82 Ų8252.9 Ų52.942%0.42131%0.313SS..Hα-helixtrans-62.5-46.1176.3-67.6165.6000109.7P443 A457 A458 L463 A464 V465P443-I461 HydrophobicContact CB-CD1 4.34Å; P443-I461 HydrophobicContact CB-CG1 4.04Å; P443-I461 HydrophobicContact CG-CG1 4.49Å; A457-I461 VanDerWaalsContact O-CG1 3.28Å; A457-I461 WeakPolarHBondContact O-CG1 3.27Å; A457-I461 PolarHBondContact O-N 3.41Å; A458-I461 PolarHBondContact O-N 3Å; I461-L463 VanDerWaalsContact C-N 3.3Å; I461-L463 PolarHBondContact O-N 3.04Å; I461-A464 PolarHBondContact O-N 3.39Å; I461-A464 VanDerWaalsContact O-N 3.14Å; I461-V465 HydrophobicContact CG2-CG2 4.15Å; I461-V465 WeakPolarHBondContact O-CG2 3.14Å; I461-V465 PolarHBondContact O-N 2.97Å
462S75.8Confident77.1Confident52 Ų5249.7 Ų49.736%0.36429%0.286SS..Hα-helixtrans-57.2-42.9177.7-177.80000112.1A458 G459 N466A458-S462 VanDerWaalsContact O-CB 3.29Å; A458-S462 WeakPolarHBondContact O-CB 3.25Å; A458-S462 PolarHBondContact O-N 2.95Å; G459-S462 PolarHBondContact O-N 3.33Å; S462-N466 WeakPolarHBondContact O-CB 3.41Å; S462-N466 PolarHBondContact O-N 2.79Å; S462-N466 PolarHBondContact O-ND2 3.13Å
463L76.2Confident77Confident80 Ų8045.3 Ų45.342%0.41926%0.255SS..Hα-helixtrans-64.4-43.7176.2-175.264.3000112F437 G459 L460 I461 N466 A467 F501F437-L463 HydrophobicContact CE1-CD2 3.89Å; F437-L463 HydrophobicContact CZ-CD2 3.78Å; G459-L463 PolarHBondContact O-N 3.47Å; L460-L463 PolarHBondContact O-N 2.93Å; I461-L463 VanDerWaalsContact C-N 3.3Å; I461-L463 PolarHBondContact O-N 3.04Å; L463-N466 PolarHBondContact O-N 2.7Å; L463-A467 VanDerWaalsContact O-CB 3.31Å; L463-A467 WeakPolarHBondContact O-CB 3.45Å; L463-A467 PolarHBondContact O-N 3.1Å; L463-F501 HydrophobicContact CD1-CE1 3.72Å; L463-F501 HydrophobicContact CD1-CZ 3.88Å
464A71.3Confident76.6Confident13 Ų1342.6 Ų42.611%0.10724%0.243CC..Hα-helixtrans-63-43178.100000112.8I438 L460 I461 A467 I468I438-A464 HydrophobicContact CD1-CB 3.6Å; I438-A464 HydrophobicContact CG1-CB 3.92Å; L460-A464 PolarHBondContact O-N 3.45Å; I461-A464 PolarHBondContact O-N 3.39Å; I461-A464 VanDerWaalsContact O-N 3.14Å; A464-A467 VanDerWaalsContact O-CB 3.29Å; A464-A467 WeakPolarHBondContact O-CB 3.34Å; A464-A467 PolarHBondContact O-N 3.36Å; A464-I468 WeakPolarHBondContact O-CG1 3.32Å; A464-I468 PolarHBondContact O-N 3.44Å; A464-I468 VanDerWaalsContact O-N 3.13Å
465V74.2Confident76.4Confident35 Ų3536.2 Ų36.221%0.21222%0.219CC..Hα-helixtrans-72.1-37.9179-172.70000110.6I461 A467 I468 A469 L490 L505I461-V465 HydrophobicContact CG2-CG2 4.15Å; I461-V465 WeakPolarHBondContact O-CG2 3.14Å; I461-V465 PolarHBondContact O-N 2.97Å; V465-A467 VanDerWaalsContact C-N 3.29Å; V465-A467 PolarHBondContact O-N 3.28Å; V465-I468 PolarHBondContact O-N 3.32Å; V465-A469 PolarHBondContact O-N 3.02Å; V465-L490 HydrophobicContact CG1-CD2 3.43Å; V465-L490 VanDerWaalsContact CG1-CD2 3.43Å; V465-L505 HydrophobicContact CB-CD1 4.19Å; V465-L505 HydrophobicContact CG1-CD1 3.34Å
466N78.7Confident76.5Confident4 Ų433.3 Ų33.32%0.02120%0.196CC..Hα-helixtrans-63.3-35.1171.2-87.2-81.6000112.3S462 L463 A469 V470 F501 V503 V504 L505S462-N466 WeakPolarHBondContact O-CB 3.41Å; S462-N466 PolarHBondContact O-N 2.79Å; S462-N466 PolarHBondContact O-ND2 3.13Å; L463-N466 PolarHBondContact O-N 2.7Å; N466-A469 PolarHBondContact O-N 3.01Å; N466-V470 WeakPolarHBondContact O-CB 3.35Å; N466-V470 VanDerWaalsContact O-CG2 3.32Å; N466-V470 WeakPolarHBondContact O-CG2 3.25Å; N466-V470 PolarHBondContact O-N 3.33Å; N466-F501 HydrophobicContact CB-CZ 3.94Å; N466-V503 WeakPolarHBondContact OD1-CA 3.47Å; N466-V504 PolarHBondContact OD1-N 2.84Å; N466-L505 PolarHBondContact ND2-O 2.84Å; N466-L505 VanDerWaalsContact ND2-O 3.14Å; N466-L505 PolarHBondContact OD1-N 3.23Å
467A73.2Confident76.7Confident3 Ų327.1 Ų27.13%0.02517%0.17CC..Hα-helixtrans-58.2-46.5171.800000112.1W430 L463 A464 V465 V470 L471W430-A467 HydrophobicContact CE3-CB 4.36Å; W430-A467 HydrophobicContact CH2-CB 3.41Å; W430-A467 VanDerWaalsContact CH2-CB 3.41Å; W430-A467 HydrophobicContact CZ3-CB 3.24Å; L463-A467 VanDerWaalsContact O-CB 3.31Å; L463-A467 WeakPolarHBondContact O-CB 3.45Å; L463-A467 PolarHBondContact O-N 3.1Å; A464-A467 VanDerWaalsContact O-CB 3.29Å; A464-A467 WeakPolarHBondContact O-CB 3.34Å; A464-A467 PolarHBondContact O-N 3.36Å; V465-A467 VanDerWaalsContact C-N 3.29Å; V465-A467 PolarHBondContact O-N 3.28Å; A467-V470 PolarHBondContact O-N 2.83Å; A467-L471 WeakPolarHBondContact O-CB 3.33Å; A467-L471 VanDerWaalsContact O-CG 3.29Å; A467-L471 WeakPolarHBondContact O-CG 3.25Å; A467-L471 PolarHBondContact O-N 3.15Å; A467-L471 VanDerWaalsContact O-N 3.11Å
468I74.5Confident77.2Confident76 Ų7627.4 Ų27.439%0.3917%0.171SC..Hα-helixtrans-62.3-45.8174.4-61.3167.3000110.2A464 V465 V470 L471 E472 I486 L490A464-I468 WeakPolarHBondContact O-CG1 3.32Å; A464-I468 PolarHBondContact O-N 3.44Å; A464-I468 VanDerWaalsContact O-N 3.13Å; V465-I468 PolarHBondContact O-N 3.32Å; I468-V470 VanDerWaalsContact C-N 3.33Å; I468-V470 PolarHBondContact O-N 2.84Å; I468-L471 PolarHBondContact O-N 3.27Å; I468-E472 WeakPolarHBondContact O-CB 3.26Å; I468-E472 PolarHBondContact O-N 2.89Å; I468-I486 HydrophobicContact CG2-CG2 3.71Å; I468-L490 HydrophobicContact CG2-CD1 4.06Å
469A78Confident77.7Confident11 Ų1124.9 Ų24.99%0.09115%0.149CC..Hα-helixtrans-60-39.7-179.900000113V465 N466 P473 L490 V504 L505V465-A469 PolarHBondContact O-N 3.02Å; N466-A469 PolarHBondContact O-N 3.01Å; A469-P473 WeakPolarHBondContact O-CD 3.4Å; A469-L490 HydrophobicContact CB-CD1 3.88Å; A469-V504 HydrophobicContact CB-CB 4.06Å; A469-V504 HydrophobicContact CB-CG1 4.27Å; A469-V504 HydrophobicContact CB-CG2 4.44Å; A469-L505 HydrophobicContact CB-CD1 4.21Å; A469-L505 HydrophobicContact CB-CG 4.12Å
470V75.6Confident78.3Confident17 Ų1723.2 Ų23.210%0.10313%0.131CC..Hα-helixtrans-74.1-28.8178.9171.20000112.3N466 A467 I468 F501 K502 V504N466-V470 WeakPolarHBondContact O-CB 3.35Å; N466-V470 VanDerWaalsContact O-CG2 3.32Å; N466-V470 WeakPolarHBondContact O-CG2 3.25Å; N466-V470 PolarHBondContact O-N 3.33Å; A467-V470 PolarHBondContact O-N 2.83Å; I468-V470 VanDerWaalsContact C-N 3.33Å; I468-V470 PolarHBondContact O-N 2.84Å; V470-F501 HydrophobicContact CB-CD2 3.97Å; V470-F501 HydrophobicContact CB-CE2 3.95Å; V470-F501 HydrophobicContact CG1-CD2 3.89Å; V470-F501 HydrophobicContact CG1-CE2 4.38Å; V470-F501 HydrophobicContact CG2-CD2 3.78Å; V470-F501 HydrophobicContact CG2-CE2 3.65Å; V470-K502 WeakPolarHBondContact CG2-O 3.39Å; V470-V504 HydrophobicContact CG2-CG2 3.8Å
471L71.5Confident79Confident16 Ų1625.9 Ų25.98%0.08414%0.142CC..Hα-helixtrans-93.4-22.3-177.6-68.3-176.9000114.6V427 W430 L431 A467 I468 P473 L474V427-L471 HydrophobicContact CG1-CD2 4.21Å; W430-L471 HydrophobicContact CD2-CD1 4.4Å; W430-L471 HydrophobicContact CE3-CD1 3.28Å; W430-L471 HydrophobicContact CE3-CD2 4Å; W430-L471 HydrophobicContact CE3-CG 3.76Å; W430-L471 HydrophobicContact CZ3-CD1 3.61Å; W430-L471 HydrophobicContact CZ3-CD2 4.28Å; W430-L471 HydrophobicContact CZ3-CG 3.74Å; L431-L471 HydrophobicContact CD1-CD1 3.83Å; L431-L471 HydrophobicContact CD2-CD1 3.54Å; L431-L471 HydrophobicContact CG-CD1 3.35Å; A467-L471 WeakPolarHBondContact O-CB 3.33Å; A467-L471 VanDerWaalsContact O-CG 3.29Å; A467-L471 WeakPolarHBondContact O-CG 3.25Å; A467-L471 PolarHBondContact O-N 3.15Å; A467-L471 VanDerWaalsContact O-N 3.11Å; I468-L471 PolarHBondContact O-N 3.27Å; L471-P473 VanDerWaalsContact C-N 3.28Å; L471-L474 HydrophobicContact CD2-CD1 3.6Å; L471-L474 VanDerWaalsContact O-CB 3.28Å; L471-L474 WeakPolarHBondContact O-CB 3.49Å; L471-L474 PolarHBondContact O-N 3.37Å
472E80.7Confident79.5Confident7 Ų722.8 Ų22.83%0.03313%0.128CC..Hα-helixtrans-48.8-43.3177.2178.3-77.5157.800113.2I468 L474 L475 Q476 S483 I486 R487 S495I468-E472 WeakPolarHBondContact O-CB 3.26Å; I468-E472 PolarHBondContact O-N 2.89Å; E472-L474 PolarHBondContact O-N 3.44Å; E472-L474 VanDerWaalsContact O-N 3.13Å; E472-L475 WeakPolarHBondContact O-CB 3.39Å; E472-L475 PolarHBondContact O-N 3.26Å; E472-Q476 PolarHBondContact O-N 3.22Å; E472-S483 VanDerWaalsContact OE1-C 3.3Å; E472-S483 WeakPolarHBondContact OE1-CA 3.42Å; E472-S483 WeakPolarHBondContact OE1-CB 3.45Å; E472-S483 VanDerWaalsContact OE1-O 3.07Å; E472-S483 PolarHBondContact OE1-OG 2.8Å; E472-I486 HydrophobicContact CB-CG2 4Å; E472-I486 HydrophobicContact CG-CB 3.96Å; E472-I486 HydrophobicContact CG-CG2 3.73Å; E472-R487 VanDerWaalsContact CD-CG 3.48Å; E472-R487 HydrophobicContact CG-CG 4.03Å; E472-R487 WeakPolarHBondContact OE1-CG 3.4Å; E472-R487 IonicContact OE1-NE 3.9Å; E472-R487 PolarHBondContact OE1-NE 3.48Å; E472-S495 PolarHBondContact OE1-OG 2.83Å; E472-S495 WeakPolarHBondContact OE2-CB 3.44Å; E472-S495 PolarHBondContact OE2-OG 3.25Å
473P81.9Confident79.9Confident3 Ų320.3 Ų20.32%0.01911%0.11CC..Hα-helixtrans-60.8-26.5178.3-25.835.3000113.2L55 A469 L471 L475 P477 E496 L497L55-P473 WeakPolarHBondContact CD1-O 3.38Å; A469-P473 WeakPolarHBondContact O-CD 3.4Å; L471-P473 VanDerWaalsContact C-N 3.28Å; P473-L475 VanDerWaalsContact C-N 3.28Å; P473-L475 PolarHBondContact O-N 3.09Å; P473-P477 WeakPolarHBondContact O-CD 3.5Å; P473-E496 WeakPolarHBondContact CG-O 3.16Å; P473-L497 HydrophobicContact CB-CD1 4.21Å
474L76.1Confident80.4Confident13 Ų1321.3 Ų21.37%0.06811%0.111CC..Hα-helixtrans-74.1-20.7176.1-67162.3000112.7I411 V427 L471 E472 F478 L497I411-L474 HydrophobicContact CD1-CB 4.37Å; I411-L474 HydrophobicContact CG2-CB 4.29Å; V427-L474 HydrophobicContact CG1-CD1 4.26Å; V427-L474 HydrophobicContact CG2-CD1 3.73Å; L471-L474 HydrophobicContact CD2-CD1 3.6Å; L471-L474 VanDerWaalsContact O-CB 3.28Å; L471-L474 WeakPolarHBondContact O-CB 3.49Å; L471-L474 PolarHBondContact O-N 3.37Å; E472-L474 PolarHBondContact O-N 3.44Å; E472-L474 VanDerWaalsContact O-N 3.13Å; L474-F478 VanDerWaalsContact O-CD2 3.23Å; L474-F478 WeakPolarHBondContact O-CD2 3.25Å; L474-F478 VanDerWaalsContact O-CE2 3.31Å; L474-F478 WeakPolarHBondContact O-CE2 3.47Å; L474-L497 HydrophobicContact CD2-CD1 3.4Å; L474-L497 VanDerWaalsContact CD2-CD1 3.4Å; L474-L497 HydrophobicContact CG-CD1 3.63Å
475L78.7Confident81Confident3 Ų322.5 Ų22.52%0.01612%0.121CC..Hα-helixtrans-84.4-30.2176.4-173.564.8000111.8L407 F410 I411 E472 P473 F478 M479 T482 I486L407-L475 HydrophobicContact CD2-CD2 4.19Å; F410-L475 HydrophobicContact CD1-CD1 3.76Å; F410-L475 HydrophobicContact CE1-CD1 3.91Å; I411-L475 HydrophobicContact CD1-CB 4.38Å; I411-L475 HydrophobicContact CD1-CD1 4.35Å; I411-L475 HydrophobicContact CG1-CD1 4.46Å; E472-L475 WeakPolarHBondContact O-CB 3.39Å; E472-L475 PolarHBondContact O-N 3.26Å; P473-L475 VanDerWaalsContact C-N 3.28Å; P473-L475 PolarHBondContact O-N 3.09Å; L475-F478 PolarHBondContact O-N 2.94Å; L475-M479 HydrophobicContact CD1-CB 4.07Å; L475-M479 HydrophobicContact CD1-CG 4.27Å; L475-M479 HydrophobicContact CD1-SD 3.94Å; L475-M479 HydrophobicContact CG-CB 4.09Å; L475-M479 PolarHBondContact O-N 3.43Å; L475-T482 HydrophobicContact CD2-CG2 3.94Å; L475-I486 HydrophobicContact CD2-CD1 3.79Å
476Q84.9Confident81.2Confident26 Ų2621.2 Ų21.212%0.12111%0.113CC..THydrogen-bonded Turntrans-53.1-40.6-173.5-172.8-85.3-6.900114.9L55 E472 F478 P480 S483L55-Q476 HydrophobicContact CD1-CB 4.38Å; E472-Q476 PolarHBondContact O-N 3.22Å; Q476-F478 PolarHBondContact O-N 3.13Å; Q476-P480 WeakPolarHBondContact O-CA 3.32Å; Q476-S483 VanDerWaalsContact CB-OG 3.25Å; Q476-S483 WeakPolarHBondContact CB-OG 3.31Å; Q476-S483 WeakPolarHBondContact CG-OG 3.24Å
477P85.7Confident81.5Confident4 Ų423.9 Ų23.93%0.02612%0.123CC..THydrogen-bonded Turntrans-61.9-28176.6-28.438.6000113.7V48 R51 L55 R375 P473V48-P477 HydrophobicContact CG1-CB 4.06Å; V48-P477 WeakPolarHBondContact CG2-O 3.42Å; R51-P477 HydrophobicContact CB-CB 3.91Å; R51-P477 HydrophobicContact CB-CG 4.17Å; L55-P477 HydrophobicContact CD1-CG 3.78Å; R375-P477 PolarHBondContact NH2-O 3.31Å; P473-P477 WeakPolarHBondContact O-CD 3.5Å
478F84.1Confident82Confident6 Ų628.1 Ų28.13%0.02615%0.152CC..THydrogen-bonded Turntrans-99.7-45-170.7-56.4-82.3000112.6V48 R375 L379 F410 A414 L474 L475 Q476V48-F478 HydrophobicContact CG1-CD1 3.97Å; V48-F478 HydrophobicContact CG1-CE1 3.48Å; V48-F478 VanDerWaalsContact CG1-CE1 3.48Å; V48-F478 HydrophobicContact CG1-CZ 3.92Å; V48-F478 HydrophobicContact CG2-CD1 4.23Å; V48-F478 HydrophobicContact CG2-CE1 4.49Å; R375-F478 WeakPolarHBondContact CB-O 3.2Å; R375-F478 PolarHBondContact NE-O 3.24Å; L379-F478 HydrophobicContact CD1-CB 4.42Å; L379-F478 HydrophobicContact CD1-CD1 3.97Å; F410-F478 HydrophobicContact CD1-CB 4.44Å; F410-F478 HydrophobicContact CE1-CB 3.3Å; F410-F478 AromaticContact CE1-CG 3.97Å; F410-F478 HydrophobicContact CE1-CG 3.97Å; F410-F478 HydrophobicContact CZ-CB 3.47Å; F410-F478 VanDerWaalsContact CZ-CB 3.47Å; F410-F478 HydrophobicContact CZ-CD1 4.18Å; F410-F478 HydrophobicContact CZ-CG 4.04Å; A414-F478 HydrophobicContact CB-CD1 3.44Å; A414-F478 VanDerWaalsContact CB-CD1 3.44Å; A414-F478 HydrophobicContact CB-CE1 3.14Å; A414-F478 HydrophobicContact CB-CZ 4.01Å; A414-F478 VanDerWaalsContact O-CE1 3.27Å; A414-F478 WeakPolarHBondContact O-CE1 3.37Å; L474-F478 VanDerWaalsContact O-CD2 3.23Å; L474-F478 WeakPolarHBondContact O-CD2 3.25Å; L474-F478 VanDerWaalsContact O-CE2 3.31Å; L474-F478 WeakPolarHBondContact O-CE2 3.47Å; L475-F478 PolarHBondContact O-N 2.94Å; Q476-F478 PolarHBondContact O-N 3.13Å
479M85.6Confident82.3Confident4 Ų426 Ų262%0.0214%0.14CC..  trans-133.374.3-177-65.2174.57700109.6D372 I373 F376 L403 F410 L475 E481 T482 S483D372-M479 HydrophobicContact CB-CB 4.1Å; D372-M479 HydrophobicContact CB-CE 3.98Å; D372-M479 HydrophobicContact CB-CG 4.19Å; D372-M479 VanDerWaalsContact CG-CA 3.49Å; D372-M479 VanDerWaalsContact OD2-CA 3.32Å; D372-M479 WeakPolarHBondContact OD2-CA 3.38Å; D372-M479 WeakPolarHBondContact OD2-CB 3.34Å; I373-M479 HydrophobicContact CD1-CE 4.33Å; F376-M479 HydrophobicContact CB-CE 4.35Å; F376-M479 HydrophobicContact CB-CG 4.29Å; F376-M479 HydrophobicContact CB-SD 3.93Å; F376-M479 HydrophobicContact CD2-SD 4.29Å; F376-M479 HydrophobicContact CG-SD 4.48Å; L403-M479 HydrophobicContact CD1-CE 3.86Å; L403-M479 HydrophobicContact CD2-CE 3.89Å; L403-M479 HydrophobicContact CD2-SD 3.73Å; F410-M479 HydrophobicContact CD1-SD 3.99Å; F410-M479 HydrophobicContact CE1-CG 3.75Å; F410-M479 HydrophobicContact CE1-SD 3.63Å; F410-M479 HydrophobicContact CZ-CG 4.28Å; F410-M479 HydrophobicContact CZ-SD 4.38Å; L475-M479 HydrophobicContact CD1-CB 4.07Å; L475-M479 HydrophobicContact CD1-CG 4.27Å; L475-M479 HydrophobicContact CD1-SD 3.94Å; L475-M479 HydrophobicContact CG-CB 4.09Å; L475-M479 PolarHBondContact O-N 3.43Å; M479-E481 PolarHBondContact O-N 2.9Å; M479-T482 HydrophobicContact CE-CG2 4.33Å; M479-T482 WeakPolarHBondContact CE-OG1 3.29Å; M479-T482 PolarHBondContact O-N 2.71Å; M479-S483 WeakPolarHBondContact O-CB 3.47Å; M479-S483 PolarHBondContact O-N 2.99Å
480P90.4Very high82.5Confident7 Ų726.1 Ų26.15%0.04514%0.14CC..Hα-helixtrans-62.6-36-171.622.7-35000114.4N103 D372 Q476 K484N103-P480 HydrophobicContact CB-CG 4.06Å; N103-P480 WeakPolarHBondContact ND2-CG 3.27Å; D372-P480 VanDerWaalsContact OD1-CD 3.29Å; D372-P480 WeakPolarHBondContact OD1-CD 3.32Å; Q476-P480 WeakPolarHBondContact O-CA 3.32Å; P480-K484 WeakPolarHBondContact O-CB 3.07Å; P480-K484 PolarHBondContact O-N 3.19Å
481E89.7Confident83Confident81 Ų8130 Ų3038%0.37916%0.16SC..Hα-helixtrans-73.9-37.1179.4-69.3-54.4128.600111.5N103 D372 M479 K484 A485N103-E481 PolarHBondContact ND2-OE1 2.57Å; D372-E481 PolarHBondContact OD2-N 3.11Å; D372-E481 VanDerWaalsContact OD2-N 3.1Å; M479-E481 PolarHBondContact O-N 2.9Å; E481-K484 WeakPolarHBondContact O-CB 3.43Å; E481-K484 PolarHBondContact O-N 3.24Å; E481-A485 WeakPolarHBondContact O-CB 3.49Å; E481-A485 PolarHBondContact O-N 2.62Å
482T83Confident83.6Confident18 Ų1830.9 Ų30.911%0.1117%0.166CC..Hα-helixtrans-64.4-44.7174.5-52.20000110.8D372 L475 M479 K484 A485 I486D372-T482 WeakPolarHBondContact OD2-CB 3.33Å; D372-T482 PolarHBondContact OD2-N 3.13Å; D372-T482 PolarHBondContact OD2-OG1 3.43Å; L475-T482 HydrophobicContact CD2-CG2 3.94Å; M479-T482 HydrophobicContact CE-CG2 4.33Å; M479-T482 WeakPolarHBondContact CE-OG1 3.29Å; M479-T482 PolarHBondContact O-N 2.71Å; T482-K484 VanDerWaalsContact C-N 3.35Å; T482-K484 PolarHBondContact O-N 3.44Å; T482-A485 WeakPolarHBondContact O-CB 2.9Å; T482-A485 PolarHBondContact O-N 3.17Å; T482-I486 HydrophobicContact CG2-CD1 4.43Å; T482-I486 WeakPolarHBondContact O-CG1 3.47Å; T482-I486 PolarHBondContact O-N 3.11Å
483S83.8Confident83.5Confident0 Ų039.6 Ų39.60%021%0.206CC..Hα-helixtrans-56.8-47.7172.9137.40000111.3E472 Q476 M479 A485 I486 R487E472-S483 VanDerWaalsContact OE1-C 3.3Å; E472-S483 WeakPolarHBondContact OE1-CA 3.42Å; E472-S483 WeakPolarHBondContact OE1-CB 3.45Å; E472-S483 VanDerWaalsContact OE1-O 3.07Å; E472-S483 PolarHBondContact OE1-OG 2.8Å; Q476-S483 VanDerWaalsContact CB-OG 3.25Å; Q476-S483 WeakPolarHBondContact CB-OG 3.31Å; Q476-S483 WeakPolarHBondContact CG-OG 3.24Å; M479-S483 WeakPolarHBondContact O-CB 3.47Å; M479-S483 PolarHBondContact O-N 2.99Å; S483-A485 PolarHBondContact O-N 3.17Å; S483-I486 WeakPolarHBondContact O-CB 3.34Å; S483-I486 PolarHBondContact O-N 3.48Å; S483-R487 PolarHBondContact O-N 2.7Å
484K87.6Confident83.2Confident101 Ų10142.8 Ų42.844%0.43923%0.229SC..Hα-helixtrans-61.9-40.6176-175.2-177.7176.9-173.90112.6P480 E481 T482 R487 S488P480-K484 WeakPolarHBondContact O-CB 3.07Å; P480-K484 PolarHBondContact O-N 3.19Å; E481-K484 WeakPolarHBondContact O-CB 3.43Å; E481-K484 PolarHBondContact O-N 3.24Å; T482-K484 VanDerWaalsContact C-N 3.35Å; T482-K484 PolarHBondContact O-N 3.44Å; K484-R487 PolarHBondContact O-N 3.19Å; K484-S488 PolarHBondContact O-N 3.47Å
485A82.3Confident83Confident38 Ų3843.2 Ų43.231%0.31423%0.233SC..Hα-helixtrans-61.1-46.3174.900000111E481 T482 S483 R487 S488 Q489 L517E481-A485 WeakPolarHBondContact O-CB 3.49Å; E481-A485 PolarHBondContact O-N 2.62Å; T482-A485 WeakPolarHBondContact O-CB 2.9Å; T482-A485 PolarHBondContact O-N 3.17Å; S483-A485 PolarHBondContact O-N 3.17Å; A485-R487 VanDerWaalsContact C-N 3.35Å; A485-R487 PolarHBondContact O-N 3.13Å; A485-S488 PolarHBondContact O-N 3.06Å; A485-Q489 WeakPolarHBondContact O-CG 3.38Å; A485-Q489 PolarHBondContact O-N 3.06Å; A485-L517 HydrophobicContact CB-CD2 4.11Å
486I78.7Confident82.8Confident8 Ų848.6 Ų48.64%0.04126%0.258CS..Hα-helixtrans-56.9-48.5174.8-67.3166.6000110.5L407 I468 E472 L475 T482 S483 S488 Q489 L490 L517L407-I486 HydrophobicContact CD2-CD1 4.5Å; I468-I486 HydrophobicContact CG2-CG2 3.71Å; E472-I486 HydrophobicContact CB-CG2 4Å; E472-I486 HydrophobicContact CG-CB 3.96Å; E472-I486 HydrophobicContact CG-CG2 3.73Å; L475-I486 HydrophobicContact CD2-CD1 3.79Å; T482-I486 HydrophobicContact CG2-CD1 4.43Å; T482-I486 WeakPolarHBondContact O-CG1 3.47Å; T482-I486 PolarHBondContact O-N 3.11Å; S483-I486 WeakPolarHBondContact O-CB 3.34Å; S483-I486 PolarHBondContact O-N 3.48Å; I486-S488 VanDerWaalsContact C-N 3.33Å; I486-S488 PolarHBondContact O-N 3Å; I486-Q489 PolarHBondContact O-N 3.38Å; I486-Q489 VanDerWaalsContact O-N 3.15Å; I486-L490 HydrophobicContact CG2-CD1 3.78Å; I486-L490 HydrophobicContact CG2-CG 4.15Å; I486-L490 WeakPolarHBondContact O-CB 3.49Å; I486-L490 WeakPolarHBondContact O-CG 3.4Å; I486-L490 PolarHBondContact O-N 3.11Å; I486-L517 HydrophobicContact CD1-CD1 4.05Å; I486-L517 HydrophobicContact CG1-CD1 3.64Å; I486-L517 HydrophobicContact CG1-CD2 3.67Å; I486-L517 HydrophobicContact CG1-CG 4.32Å
487R85.5Confident82.3Confident60 Ų6049 Ų4923%0.22626%0.261CS..Hα-helixtrans-59.7-42178-80-168-74.3156.2-1.5113.5E472 S483 K484 A485 Q489 L490 N491 V492 E493 S495E472-R487 VanDerWaalsContact CD-CG 3.48Å; E472-R487 HydrophobicContact CG-CG 4.03Å; E472-R487 WeakPolarHBondContact OE1-CG 3.4Å; E472-R487 IonicContact OE1-NE 3.9Å; E472-R487 PolarHBondContact OE1-NE 3.48Å; S483-R487 PolarHBondContact O-N 2.7Å; K484-R487 PolarHBondContact O-N 3.19Å; A485-R487 VanDerWaalsContact C-N 3.35Å; A485-R487 PolarHBondContact O-N 3.13Å; R487-Q489 VanDerWaalsContact C-N 3.32Å; R487-Q489 PolarHBondContact O-N 2.97Å; R487-L490 CarbonylContact O-C 3.53Å; R487-L490 PolarHBondContact O-N 3.35Å; R487-N491 PolarHBondContact O-N 3.22Å; R487-V492 PolarHBondContact O-N 3.15Å; R487-V492 VanDerWaalsContact O-N 3.08Å; R487-E493 PolarHBondContact NH1-O 3.17Å; R487-S495 WeakPolarHBondContact CD-OG 3.36Å; R487-S495 PolarHBondContact NE-OG 3.49Å
488S84.7Confident81.5Confident91 Ų9151 Ų5164%0.63627%0.27SS*.Hα-helixtrans-62.5-40.6176.1-169.60000111.6K484 A485 I486 N491K484-S488 PolarHBondContact O-N 3.47Å; A485-S488 PolarHBondContact O-N 3.06Å; I486-S488 VanDerWaalsContact C-N 3.33Å; I486-S488 PolarHBondContact O-N 3Å; S488-N491 PolarHBondContact O-N 3.02Å
489Q80.8Confident80.7Confident32 Ų3256.7 Ų56.715%0.1530%0.301CS..Hα-helixtrans-70.1-35176.8-65.3-171.425.600112.1A485 I486 R487 N491 G512 Q513 G515A485-Q489 WeakPolarHBondContact O-CG 3.38Å; A485-Q489 PolarHBondContact O-N 3.06Å; I486-Q489 PolarHBondContact O-N 3.38Å; I486-Q489 VanDerWaalsContact O-N 3.15Å; R487-Q489 VanDerWaalsContact C-N 3.32Å; R487-Q489 PolarHBondContact O-N 2.97Å; Q489-N491 VanDerWaalsContact C-N 3.27Å; Q489-N491 PolarHBondContact O-N 3.43Å; Q489-G512 WeakPolarHBondContact O-CA 3.36Å; Q489-G512 PolarHBondContact O-N 3.34Å; Q489-Q513 WeakPolarHBondContact CG-O 3.34Å; Q489-G515 PolarHBondContact NE2-O 2.85Å; Q489-G515 PolarHBondContact OE1-O 2.97Å
490L81.1Confident79.9Confident14 Ų1459.9 Ų59.97%0.07332%0.323CS..Hα-helixtrans-78.3-11.9175.1-65.6-177.9000113.4V465 I468 A469 I486 R487 V492 L505 H509V465-L490 HydrophobicContact CG1-CD2 3.43Å; V465-L490 VanDerWaalsContact CG1-CD2 3.43Å; I468-L490 HydrophobicContact CG2-CD1 4.06Å; A469-L490 HydrophobicContact CB-CD1 3.88Å; I486-L490 HydrophobicContact CG2-CD1 3.78Å; I486-L490 HydrophobicContact CG2-CG 4.15Å; I486-L490 WeakPolarHBondContact O-CB 3.49Å; I486-L490 WeakPolarHBondContact O-CG 3.4Å; I486-L490 PolarHBondContact O-N 3.11Å; R487-L490 CarbonylContact O-C 3.53Å; R487-L490 PolarHBondContact O-N 3.35Å; L490-V492 HydrophobicContact CB-CG2 3.81Å; L490-L505 HydrophobicContact CD2-CD1 4.31Å; L490-H509 PolarHBondContact O-NE2 3.14Å
491N86.8Confident78.8Confident98 Ų9863.6 Ų63.652%0.52434%0.339SS..THydrogen-bonded Turntrans55.952.9-172.9-168.629.7000112.2R487 S488 Q489 H509 V510R487-N491 PolarHBondContact O-N 3.22Å; S488-N491 PolarHBondContact O-N 3.02Å; Q489-N491 VanDerWaalsContact C-N 3.27Å; Q489-N491 PolarHBondContact O-N 3.43Å; N491-H509 PolarHBondContact O-CE1 2.99Å; N491-H509 VanDerWaalsContact O-CE1 3.23Å; N491-H509 PolarHBondContact O-NE2 3.43Å; N491-V510 WeakPolarHBondContact CB-O 3.38Å; N491-V510 PolarHBondContact ND2-O 3Å
492V83.4Confident78.2Confident35 Ų3565 Ų6521%0.21234%0.343CS..  trans-121.8132.3179.5-174.20000110.1R487 L490 L505R487-V492 PolarHBondContact O-N 3.15Å; R487-V492 VanDerWaalsContact O-N 3.08Å; L490-V492 HydrophobicContact CB-CG2 3.81Å; V492-L505 HydrophobicContact CG2-CD2 3.54Å
493E78.7Confident78.1Confident189 Ų18968.6 Ų68.688%0.88337%0.366SS*.SBendtrans-78.6-41.9-174.1-66.8-173.3163.400113.8R487R487-E493 PolarHBondContact NH1-O 3.17Å
494S75.4Confident77.9Confident71 Ų7171 Ų7150%0.49738%0.38SS..  trans-120.5143.4-173.560.80000113.4
495S72.8Confident77.7Confident22 Ų2266.8 Ų66.815%0.15436%0.362CS..  trans-92.2114.3165.2-60.80000107.9E472 R487E472-S495 PolarHBondContact OE1-OG 2.83Å; E472-S495 WeakPolarHBondContact OE2-CB 3.44Å; E472-S495 PolarHBondContact OE2-OG 3.25Å; R487-S495 WeakPolarHBondContact CD-OG 3.36Å; R487-S495 PolarHBondContact NE-OG 3.49Å
496E74.7Confident78Confident115 Ų11572.3 Ų72.354%0.53738%0.379SS..  trans-116.9128170.4-75.2-172.5-174.400109.9P473 H498P473-E496 WeakPolarHBondContact CG-O 3.16Å; E496-H498 PolarHBondContact O-N 3.18Å; E496-H498 IonicContact OE2-CE1 3.36Å; E496-H498 PolarHBondContact OE2-CE1 2.99Å
497L74.3Confident78.4Confident36 Ų3678 Ų7819%0.18842%0.416CS..  trans-79.9108.3174-166.774.2000109.5Y52 L55 P473 L474Y52-L497 HydrophobicContact CE2-CD2 4.23Å; L55-L497 HydrophobicContact CB-CB 4.36Å; P473-L497 HydrophobicContact CB-CD1 4.21Å; L474-L497 HydrophobicContact CD2-CD1 3.4Å; L474-L497 VanDerWaalsContact CD2-CD1 3.4Å; L474-L497 HydrophobicContact CG-CD1 3.63Å
498H68.9Low78.5Confident44 Ų4478.8 Ų78.820%0.20444%0.444CS..  trans-90.6142.1177.1-60.6-51.5000112.4E496 S500E496-H498 PolarHBondContact O-N 3.18Å; E496-H498 IonicContact OE2-CE1 3.36Å; E496-H498 PolarHBondContact OE2-CE1 2.99Å; H498-S500 VanDerWaalsContact C-N 3.25Å; H498-S500 WeakPolarHBondContact CB-O 3.4Å; H498-S500 PolarHBondContact O-N 3.17Å
499D67.5Low78.7Confident127 Ų12778 Ų7868%0.67943%0.43SS*.SBendtrans-69-25.8176.1-68.8-38.4000112.7R423R423-D499 PolarHBondContact NH2-O 2.88Å
500S68Low79Confident71 Ų7181.7 Ų81.750%0.49745%0.454SS..SBendtrans-132160.4-179.960.70000112.3H498 K502H498-S500 VanDerWaalsContact C-N 3.25Å; H498-S500 WeakPolarHBondContact CB-O 3.4Å; H498-S500 PolarHBondContact O-N 3.17Å; S500-K502 PolarHBondContact O-N 2.82Å
501F68.2Low78.8Confident84 Ų8484.7 Ų84.737%0.36847%0.47SS..  trans-65.7123.9174.6-173.4-104.1000110.1W430 L463 N466 V470W430-F501 AromaticContact CH2-CD2 3.44Å; W430-F501 HydrophobicContact CH2-CD2 3.44Å; W430-F501 VanDerWaalsContact CH2-CD2 3.44Å; W430-F501 AromaticContact CH2-CE2 3.33Å; W430-F501 HydrophobicContact CH2-CE2 3.33Å; W430-F501 HydrophobicContact CH2-CG 4.44Å; W430-F501 HydrophobicContact CH2-CZ 4.19Å; W430-F501 AromaticContact CZ2-CD2 3.56Å; W430-F501 HydrophobicContact CZ2-CD2 3.56Å; W430-F501 AromaticContact CZ2-CE2 3.87Å; W430-F501 HydrophobicContact CZ2-CE2 3.87Å; W430-F501 HydrophobicContact CZ2-CG 4.19Å; W430-F501 HydrophobicContact CZ3-CE2 4.41Å; L463-F501 HydrophobicContact CD1-CE1 3.72Å; L463-F501 HydrophobicContact CD1-CZ 3.88Å; N466-F501 HydrophobicContact CB-CZ 3.94Å; V470-F501 HydrophobicContact CB-CD2 3.97Å; V470-F501 HydrophobicContact CB-CE2 3.95Å; V470-F501 HydrophobicContact CG1-CD2 3.89Å; V470-F501 HydrophobicContact CG1-CE2 4.38Å; V470-F501 HydrophobicContact CG2-CD2 3.78Å; V470-F501 HydrophobicContact CG2-CE2 3.65Å
502K76.2Confident78.2Confident110 Ų11081.4 Ų81.448%0.47846%0.459SS..  trans-126.1150.4178.2-70.9-174177.9179.60110V470 S500 V504V470-K502 WeakPolarHBondContact CG2-O 3.39Å; S500-K502 PolarHBondContact O-N 2.82Å; K502-V504 PolarHBondContact O-N 2.88Å; K502-V504 VanDerWaalsContact O-N 3.15Å
503V80.4Confident77.7Confident95 Ų9588.4 Ų88.458%0.57649%0.489SS*.  trans-75.7102.3168.9-179.30000107.7N466 L505N466-V503 WeakPolarHBondContact OD1-CA 3.47Å; V503-L505 WeakPolarHBondContact CG1-O 3.33Å
504V80.8Confident77.1Confident51 Ų5184.2 Ų84.231%0.30948%0.476SS..  trans-82.1-44.1176.2-179.10000109.6N466 A469 V470 K502N466-V504 PolarHBondContact OD1-N 2.84Å; A469-V504 HydrophobicContact CB-CB 4.06Å; A469-V504 HydrophobicContact CB-CG1 4.27Å; A469-V504 HydrophobicContact CB-CG2 4.44Å; V470-V504 HydrophobicContact CG2-CG2 3.8Å; K502-V504 PolarHBondContact O-N 2.88Å; K502-V504 VanDerWaalsContact O-N 3.15Å
505L83.2Confident76.3Confident11 Ų1182.7 Ų82.76%0.05847%0.472CS..SBendtrans-96.699.9-178.9-50179.1000109.4V465 N466 A469 L490 V492 V503 H509V465-L505 HydrophobicContact CB-CD1 4.19Å; V465-L505 HydrophobicContact CG1-CD1 3.34Å; N466-L505 PolarHBondContact ND2-O 2.84Å; N466-L505 VanDerWaalsContact ND2-O 3.14Å; N466-L505 PolarHBondContact OD1-N 3.23Å; A469-L505 HydrophobicContact CB-CD1 4.21Å; A469-L505 HydrophobicContact CB-CG 4.12Å; L490-L505 HydrophobicContact CD2-CD1 4.31Å; V492-L505 HydrophobicContact CG2-CD2 3.54Å; V503-L505 WeakPolarHBondContact CG1-O 3.33Å; L505-H509 HydrophobicContact CB-CB 4.48Å
506K89Confident75.8Confident155 Ų15586.7 Ų86.767%0.67450%0.498SS*.  trans-69.8154.8179.2-66.8-180-177.31750111.3G508 H509K506-G508 PolarHBondContact O-N 3.18Å; K506-H509 WeakPolarHBondContact O-CB 3.26Å; K506-H509 PolarHBondContact O-N 2.76Å
507P86.5Confident75Confident126 Ų12684.8 Ų84.882%0.81849%0.492SS*.THydrogen-bonded Turntrans-51.3133.1170.4-25.734.8000111.5
508G88.3Confident73.9Confident78 Ų7885 Ų8580%0.80450%0.498SS*.THydrogen-bonded Turntrans91.1-6.3-17500000115K506K506-G508 PolarHBondContact O-N 3.18Å
509H88.1Confident72.7Confident75 Ų7589.2 Ų89.235%0.34752%0.522SS..  trans-61.6135.2172.4-17578000111.6L490 N491 L505 K506L490-H509 PolarHBondContact O-NE2 3.14Å; N491-H509 PolarHBondContact O-CE1 2.99Å; N491-H509 VanDerWaalsContact O-CE1 3.23Å; N491-H509 PolarHBondContact O-NE2 3.43Å; L505-H509 HydrophobicContact CB-CB 4.48Å; K506-H509 WeakPolarHBondContact O-CB 3.26Å; K506-H509 PolarHBondContact O-N 2.76Å
510V87.2Confident71.5Confident108 Ų10886.4 Ų86.466%0.65551%0.511SS*.  trans-103.3112178.5-176.70000108.7N491N491-V510 WeakPolarHBondContact CB-O 3.38Å; N491-V510 PolarHBondContact ND2-O 3Å
511I76.8Confident70.3Confident78 Ų7884 Ų8440%0.449%0.492SS..  trans-71.3158.4173.563.4172.7000110.8V514I511-V514 HydrophobicContact CD1-CG2 3.98Å
512G74.1Confident68.7Low29 Ų2983.1 Ų83.130%0.29950%0.496SS..  trans-76.6-169.1173.700000112.8Q489 V514Q489-G512 WeakPolarHBondContact O-CA 3.36Å; Q489-G512 PolarHBondContact O-N 3.34Å; G512-V514 PolarHBondContact O-N 3.4Å
513Q73.2Confident66.7Low182 Ų18283.9 Ų83.985%0.8550%0.501SS*.  trans-73.8117175.4-173.1175500110.2Q489Q489-Q513 WeakPolarHBondContact CG-O 3.34Å
514V66.5Low64.6Low100 Ų10082.9 Ų82.961%0.60649%0.489SS*.  trans-78.5132.8177.4-177.50000109.7I511 G512I511-V514 HydrophobicContact CD1-CG2 3.98Å; G512-V514 PolarHBondContact O-N 3.4Å
515G58.3Low62.5Low39 Ų3982.1 Ų82.140%0.40248%0.482SS..  trans-141.9166.2177.700000111.4Q489 L517Q489-G515 PolarHBondContact NE2-O 2.85Å; Q489-G515 PolarHBondContact OE1-O 2.97Å; G515-L517 PolarHBondContact O-N 2.99Å
516C61.7Low60.2Low106 Ų10685.8 Ų85.872%0.71650%0.501SS*.  trans-59.3126.2177.1-70.40000110.7
517L57.7Low57.5Low76 Ų7686.2 Ų86.240%0.39850%0.499SS..SBendtrans-78.1-29.5179.1-67.8171.1000112.5A485 I486 G515A485-L517 HydrophobicContact CB-CD2 4.11Å; I486-L517 HydrophobicContact CD1-CD1 4.05Å; I486-L517 HydrophobicContact CG1-CD1 3.64Å; I486-L517 HydrophobicContact CG1-CD2 3.67Å; I486-L517 HydrophobicContact CG1-CG 4.32Å; G515-L517 PolarHBondContact O-N 2.99Å
518A50.9Low55.2Low39 Ų3982 Ų8232%0.32247%0.467SS..SBendtrans-123110.516800000106.2
519D45Very low52.7Low133 Ų13379.7 Ų79.771%0.71144%0.437SS*.  trans-55.3132.2157.8-100.4-33000106.4I521D519-I521 PolarHBondContact O-N 3.35Å
520P42.2Very low50.2Low69 Ų6982.1 Ų82.145%0.44845%0.448SS..  trans-54.9115.4179.7-19.829.2000107.6C522 E523P520-C522 HydrophobicContact CB-CB 4.12Å; P520-C522 PolarHBondContact O-N 3.38Å; P520-E523 PolarHBondContact O-N 2.88Å
521I42.5Very low47.7Very low19 Ų1982.7 Ų82.710%0.09744%0.442CS..Hα-helixtrans-52.5-18.5170.5-75.3156.3000109.9I373 V399 D519 E523 F524 F525I373-I521 HydrophobicContact CD1-CD1 4.3Å; I373-I521 HydrophobicContact CG1-CD1 4.16Å; I373-I521 HydrophobicContact CG2-CD1 3.84Å; V399-I521 HydrophobicContact CB-CD1 4.49Å; V399-I521 HydrophobicContact CG1-CD1 3.26Å; D519-I521 PolarHBondContact O-N 3.35Å; I521-E523 PolarHBondContact O-N 2.9Å; I521-F524 PolarHBondContact O-N 2.97Å; I521-F525 HydrophobicContact CG2-CB 4.07Å; I521-F525 HydrophobicContact CG2-CD2 4.2Å; I521-F525 WeakPolarHBondContact O-CB 3.39Å; I521-F525 PolarHBondContact O-N 3.33Å
522C35.2Very low45.7Very low67 Ų6785.6 Ų85.645%0.45345%0.452SS..Hα-helixtrans-50.6-45.3167.2-70.30000115.2P520 L526P520-C522 HydrophobicContact CB-CB 4.12Å; P520-C522 PolarHBondContact O-N 3.38Å; C522-L526 WeakPolarHBondContact O-CB 3.29Å; C522-L526 VanDerWaalsContact O-CD1 3.29Å; C522-L526 WeakPolarHBondContact O-CD1 3.28Å; C522-L526 VanDerWaalsContact O-CG 3.26Å; C522-L526 WeakPolarHBondContact O-CG 3.32Å; C522-L526 PolarHBondContact O-N 3.44Å
523E33.6Very low43.8Very low125 Ų12590 Ų9058%0.58447%0.465SS*.Hα-helixtrans-75.3-34.9176.7-103.7-153.6-162.800111.7P520 I521 R527P520-E523 PolarHBondContact O-N 2.88Å; I521-E523 PolarHBondContact O-N 2.9Å; E523-R527 WeakPolarHBondContact O-CG 3.31Å; E523-R527 PolarHBondContact O-N 2.9Å; E523-R527 IonicContact OE2-NE 3.62Å; E523-R527 IonicContact OE2-NH2 3.84Å
524F35.5Very low41.9Very low74 Ų7485 Ų8533%0.32545%0.45SS..Hα-helixtrans-74.6-40.5-176.4-162.3-89.2000112.9T367 S368 I521 L526 R527 F528T367-F524 WeakPolarHBondContact O-CE1 3.39Å; S368-F524 WeakPolarHBondContact O-CE1 3.47Å; I521-F524 PolarHBondContact O-N 2.97Å; F524-L526 VanDerWaalsContact C-N 3.33Å; F524-R527 CarbonylContact O-C 3.57Å; F524-R527 PolarHBondContact O-N 3.14Å; F524-F528 HydrophobicContact CE1-CB 4.36Å; F524-F528 VanDerWaalsContact O-CB 3.27Å; F524-F528 WeakPolarHBondContact O-CB 3.25Å; F524-F528 PolarHBondContact O-N 3.01Å
525F36.5Very low40Very low36 Ų3686 Ų8616%0.15845%0.451CS..Hα-helixtrans-68.2-33.9176.9-152.4-94.3000111I521 L529 L554I521-F525 HydrophobicContact CG2-CB 4.07Å; I521-F525 HydrophobicContact CG2-CD2 4.2Å; I521-F525 WeakPolarHBondContact O-CB 3.39Å; I521-F525 PolarHBondContact O-N 3.33Å; F525-L529 HydrophobicContact CD1-CD1 3.72Å; F525-L529 HydrophobicContact CD1-CG 4.5Å; F525-L529 HydrophobicContact CE1-CD1 3.94Å; F525-L529 VanDerWaalsContact O-CB 3.31Å; F525-L529 WeakPolarHBondContact O-CB 3.39Å; F525-L529 WeakPolarHBondContact O-CD1 3.22Å; F525-L529 WeakPolarHBondContact O-CG 3.42Å; F525-L529 PolarHBondContact O-N 2.91Å; F525-L554 HydrophobicContact CD1-CD1 4.43Å; F525-L554 HydrophobicContact CE1-CD1 3.75Å
526L34.4Very low38.6Very low88 Ų8892.5 Ų92.546%0.46147%0.468SS..Hα-helixtrans-66.3-41.8169.6-76.1169.5000111.7C522 F524 H530C522-L526 WeakPolarHBondContact O-CB 3.29Å; C522-L526 VanDerWaalsContact O-CD1 3.29Å; C522-L526 WeakPolarHBondContact O-CD1 3.28Å; C522-L526 VanDerWaalsContact O-CG 3.26Å; C522-L526 WeakPolarHBondContact O-CG 3.32Å; C522-L526 PolarHBondContact O-N 3.44Å; F524-L526 VanDerWaalsContact C-N 3.33Å; L526-H530 WeakPolarHBondContact O-CB 3.07Å; L526-H530 PolarHBondContact O-CD2 2.91Å; L526-H530 PolarHBondContact O-N 2.82Å
527R34.1Very low37.1Very low164 Ų16495.1 Ų95.162%0.61947%0.472SS*.Hα-helixtrans-69.1-35173.8-74.2179.3-168.9-129.86.7113.1E523 F524 H530 F531E523-R527 WeakPolarHBondContact O-CG 3.31Å; E523-R527 PolarHBondContact O-N 2.9Å; E523-R527 IonicContact OE2-NE 3.62Å; E523-R527 IonicContact OE2-NH2 3.84Å; F524-R527 CarbonylContact O-C 3.57Å; F524-R527 PolarHBondContact O-N 3.14Å; R527-H530 CarbonylContact O-C 3.41Å; R527-H530 WeakPolarHBondContact O-CB 3.29Å; R527-H530 PolarHBondContact O-N 3.3Å; R527-F531 VanDerWaalsContact O-CB 3.3Å; R527-F531 WeakPolarHBondContact O-CB 3.4Å; R527-F531 PolarHBondContact O-N 2.84Å
528F37Very low35.6Very low36 Ų3699.4 Ų99.416%0.15849%0.493CS..Hα-helixtrans-69.2-40.8176.6-175.1-106.2000111.3T367 F524 F531 F532T367-F528 VanDerWaalsContact CA-CE2 3.44Å; T367-F528 HydrophobicContact CG2-CZ 4.16Å; T367-F528 VanDerWaalsContact O-CD2 3.28Å; T367-F528 WeakPolarHBondContact O-CD2 3.47Å; T367-F528 WeakPolarHBondContact O-CE2 3.44Å; F524-F528 HydrophobicContact CE1-CB 4.36Å; F524-F528 VanDerWaalsContact O-CB 3.27Å; F524-F528 WeakPolarHBondContact O-CB 3.25Å; F524-F528 PolarHBondContact O-N 3.01Å; F528-F531 PolarHBondContact O-N 3.26Å; F528-F532 HydrophobicContact CD1-CD2 4.41Å; F528-F532 AromaticContact CE1-CD2 3.97Å; F528-F532 HydrophobicContact CE1-CD2 3.97Å; F528-F532 AromaticContact CE1-CE2 3.91Å; F528-F532 HydrophobicContact CE1-CE2 3.91Å; F528-F532 HydrophobicContact CE2-CD2 4.04Å; F528-F532 AromaticContact CE2-CE2 3.78Å; F528-F532 HydrophobicContact CE2-CE2 3.78Å; F528-F532 AromaticContact CZ-CD2 3.78Å; F528-F532 HydrophobicContact CZ-CD2 3.78Å; F528-F532 AromaticContact CZ-CE2 3.36Å; F528-F532 HydrophobicContact CZ-CE2 3.36Å; F528-F532 HydrophobicContact CZ-CZ 4.43Å; F528-F532 PolarHBondContact O-N 3.29Å
529L36.2Very low34.4Very low31 Ų31105.5 Ų105.516%0.16252%0.52CS..Hα-helixtrans-62.7-39.9168.7-85.1157.9000111.9F525 Q533 F547F525-L529 HydrophobicContact CD1-CD1 3.72Å; F525-L529 HydrophobicContact CD1-CG 4.5Å; F525-L529 HydrophobicContact CE1-CD1 3.94Å; F525-L529 VanDerWaalsContact O-CB 3.31Å; F525-L529 WeakPolarHBondContact O-CB 3.39Å; F525-L529 WeakPolarHBondContact O-CD1 3.22Å; F525-L529 WeakPolarHBondContact O-CG 3.42Å; F525-L529 PolarHBondContact O-N 2.91Å; L529-Q533 WeakPolarHBondContact O-CG 3.44Å; L529-Q533 PolarHBondContact O-N 3.35Å; L529-F547 HydrophobicContact CD2-CE1 4.35Å
530H35.9Very low33.5Very low126 Ų126110.7 Ų110.758%0.58353%0.53SS*.Hα-helixtrans-68-34.6172.6-92.7-133.9000113L526 R527 Q533 S534L526-H530 WeakPolarHBondContact O-CB 3.07Å; L526-H530 PolarHBondContact O-CD2 2.91Å; L526-H530 PolarHBondContact O-N 2.82Å; R527-H530 CarbonylContact O-C 3.41Å; R527-H530 WeakPolarHBondContact O-CB 3.29Å; R527-H530 PolarHBondContact O-N 3.3Å; H530-Q533 PolarHBondContact CD2-OE1 3.42Å; H530-Q533 CarbonylContact O-C 3.59Å; H530-Q533 WeakPolarHBondContact O-CB 3.18Å; H530-Q533 PolarHBondContact O-N 3.26Å; H530-S534 WeakPolarHBondContact O-CB 3.34Å; H530-S534 PolarHBondContact O-N 2.94Å
531F33.4Very low32.7Very low120 Ų120116.9 Ų116.953%0.52655%0.549SS..Hα-helixtrans-68.2-42.3177.3-173.9-104.5000110.6R527 F528 Q533 S534 L535R527-F531 VanDerWaalsContact O-CB 3.3Å; R527-F531 WeakPolarHBondContact O-CB 3.4Å; R527-F531 PolarHBondContact O-N 2.84Å; F528-F531 PolarHBondContact O-N 3.26Å; F531-Q533 VanDerWaalsContact C-N 3.32Å; F531-Q533 PolarHBondContact O-N 3.29Å; F531-S534 WeakPolarHBondContact CA-OG 3.22Å; F531-S534 PolarHBondContact O-N 3.48Å; F531-S534 PolarHBondContact O-OG 3.21Å; F531-L535 HydrophobicContact CD1-CD1 4.42Å; F531-L535 HydrophobicContact CE1-CD1 3.89Å; F531-L535 HydrophobicContact CZ-CD1 4.22Å; F531-L535 PolarHBondContact O-N 3.45Å; F531-L535 VanDerWaalsContact O-N 3.16Å
532F34.8Very low32.1Very low139 Ų139121.8 Ų121.861%0.6158%0.584SS**Hα-helixtrans-65.9-29.7170.1-99.6-91.9000113.4F528 S534F528-F532 HydrophobicContact CD1-CD2 4.41Å; F528-F532 AromaticContact CE1-CD2 3.97Å; F528-F532 HydrophobicContact CE1-CD2 3.97Å; F528-F532 AromaticContact CE1-CE2 3.91Å; F528-F532 HydrophobicContact CE1-CE2 3.91Å; F528-F532 HydrophobicContact CE2-CD2 4.04Å; F528-F532 AromaticContact CE2-CE2 3.78Å; F528-F532 HydrophobicContact CE2-CE2 3.78Å; F528-F532 AromaticContact CZ-CD2 3.78Å; F528-F532 HydrophobicContact CZ-CD2 3.78Å; F528-F532 AromaticContact CZ-CE2 3.36Å; F528-F532 HydrophobicContact CZ-CE2 3.36Å; F528-F532 HydrophobicContact CZ-CZ 4.43Å; F528-F532 PolarHBondContact O-N 3.29Å; F532-S534 VanDerWaalsContact C-N 3.33Å
533Q35.9Very low31.8Very low121 Ų121125.4 Ų125.457%0.56560%0.598SS**Hα-helixtrans-70.2-28.2168.2-79174.3-20.900113L529 H530 F531L529-Q533 WeakPolarHBondContact O-CG 3.44Å; L529-Q533 PolarHBondContact O-N 3.35Å; H530-Q533 PolarHBondContact CD2-OE1 3.42Å; H530-Q533 CarbonylContact O-C 3.59Å; H530-Q533 WeakPolarHBondContact O-CB 3.18Å; H530-Q533 PolarHBondContact O-N 3.26Å; F531-Q533 VanDerWaalsContact C-N 3.32Å; F531-Q533 PolarHBondContact O-N 3.29Å
534S31.8Very low31.6Very low77 Ų77123 Ų12354%0.53860%0.599SS.*Hα-helixtrans-85.8-21.1-175.373.90000114.4H530 F531 F532 K536H530-S534 WeakPolarHBondContact O-CB 3.34Å; H530-S534 PolarHBondContact O-N 2.94Å; F531-S534 WeakPolarHBondContact CA-OG 3.22Å; F531-S534 PolarHBondContact O-N 3.48Å; F531-S534 PolarHBondContact O-OG 3.21Å; F532-S534 VanDerWaalsContact C-N 3.33Å; S534-K536 PolarHBondContact O-N 3.07Å
535L27.7Very low31.7Very low122 Ų122128.2 Ų128.264%0.63962%0.622SS**SBendtrans-78.175.3167.3-87.7156000110F531F531-L535 HydrophobicContact CD1-CD1 4.42Å; F531-L535 HydrophobicContact CE1-CD1 3.89Å; F531-L535 HydrophobicContact CZ-CD1 4.22Å; F531-L535 PolarHBondContact O-N 3.45Å; F531-L535 VanDerWaalsContact O-N 3.16Å
536K29.4Very low31.9Very low174 Ų174133.3 Ų133.376%0.75765%0.65SS**  trans-55.8140.1170.2-101-177179.6179.60111.9S534S534-K536 PolarHBondContact O-N 3.07Å
537M28.8Very low32Very low161 Ų161134.7 Ų134.779%0.79365%0.653SS**SBendtrans61.789.7143.9-57.7-152.1-4000117.5
538I27.4Very low32.2Very low166 Ų166132.1 Ų132.185%0.85166%0.655SS**SBend175.3130.2127.6-84147.8000104.2
539L25.8Very low32.6Very low168 Ų168134.9 Ų134.988%0.8867%0.668SS**  trans87.639.3-178.4-118.580.1000119K541L539-K541 VanDerWaalsContact C-N 3.26Å; L539-K541 PolarHBondContact O-N 3.41Å; L539-K541 VanDerWaalsContact O-N 3.12Å
540W24.5Very low32.9Very low241 Ų241135.9 Ų135.991%0.91367%0.673SS**THydrogen-bonded Turntrans-79.440.4169.5-162.9-86.8000114.3
541K26.1Very low33.2Very low199 Ų199133.6 Ų133.687%0.86566%0.662SS**THydrogen-bonded Turntrans-122.72.1-175.7-87.1-169.4177.2-177.20118.6L539L539-K541 VanDerWaalsContact C-N 3.26Å; L539-K541 PolarHBondContact O-N 3.41Å; L539-K541 VanDerWaalsContact O-N 3.12Å
542C30.9Very low34Very low123 Ų123133.4 Ų133.483%0.83166%0.658SS**SBendtrans-131.2-4-177.6-670000118
543I29Very low34.6Very low143 Ų143131.5 Ų131.573%0.73365%0.654SS**  trans-137.767.5-177.1-47.4177.3000110.9
544A27.7Very low34.9Very low74 Ų74128.2 Ų128.261%0.61264%0.64SS**  trans-139.777178.700000111.3
545K38.2Very low35.6Very low184 Ų184128.7 Ų128.780%0.864%0.636SS**SBendtrans-154.1-32.3153.2-111.9173.1-177.4-178.60112.5
546D41.1Very low37Very low142 Ų142125.7 Ų125.776%0.75962%0.619SS**Hα-helixtrans-87.5-22-177-57.5-40.7000114.7V548D546-V548 PolarHBondContact O-N 3.02Å
547F37.3Very low37.9Very low118 Ų118122.2 Ų122.252%0.51861%0.608SS.*Hα-helixtrans-74.3-23.5-176.7-124.4-95.2000114.1L529 M550 H551L529-F547 HydrophobicContact CD2-CE1 4.35Å; F547-M550 HydrophobicContact CD1-CE 3.8Å; F547-M550 HydrophobicContact CD2-CE 4.07Å; F547-M550 HydrophobicContact CE1-CE 3.5Å; F547-M550 VanDerWaalsContact CE1-CE 3.5Å; F547-M550 HydrophobicContact CE2-CE 3.79Å; F547-M550 HydrophobicContact CG-CE 4.08Å; F547-M550 HydrophobicContact CZ-CE 3.5Å; F547-H551 PolarHBondContact O-N 3.26Å
548V38.1Very low38.7Very low109 Ų109116.9 Ų116.966%0.66159%0.589SS**Hα-helixtrans-75.3-37.6-177.7177.90000111.6D546 H551 R552D546-V548 PolarHBondContact O-N 3.02Å; V548-H551 PolarHBondContact O-N 2.73Å; V548-R552 PolarHBondContact O-N 3.13Å
549E45.4Very low40Very low94 Ų94111.4 Ų111.444%0.43957%0.569SS.*Hα-helixtrans-73.7-34.2178.7-159.262-155.100111.5R552 L553E549-R552 PolarHBondContact O-N 3.04Å; E549-R552 IonicContact OE1-CZ 3.01Å; E549-R552 IonicContact OE1-NE 3.22Å; E549-R552 PolarHBondContact OE1-NE 2.92Å; E549-R552 IonicContact OE1-NH2 3.31Å; E549-R552 PolarHBondContact OE1-NH2 3.29Å; E549-R552 IonicContact OE2-NE 2.71Å; E549-L553 HydrophobicContact CG-CD1 4.42Å; E549-L553 PolarHBondContact O-N 2.93Å
550M41.9Very low41.6Very low52 Ų52108.7 Ų108.726%0.25655%0.547SS..Hα-helixtrans-63.4-41.8173.8-172.2178.267.100112.1F547 R552 L553 L554F547-M550 HydrophobicContact CD1-CE 3.8Å; F547-M550 HydrophobicContact CD2-CE 4.07Å; F547-M550 HydrophobicContact CE1-CE 3.5Å; F547-M550 VanDerWaalsContact CE1-CE 3.5Å; F547-M550 HydrophobicContact CE2-CE 3.79Å; F547-M550 HydrophobicContact CG-CE 4.08Å; F547-M550 HydrophobicContact CZ-CE 3.5Å; M550-R552 PolarHBondContact O-N 3.13Å; M550-L553 PolarHBondContact O-N 2.9Å; M550-L554 HydrophobicContact CG-CD1 3.89Å; M550-L554 WeakPolarHBondContact O-CB 3.17Å; M550-L554 WeakPolarHBondContact O-CG 3.42Å; M550-L554 PolarHBondContact O-N 3.17Å
551H42.3Very low42.8Very low78 Ų78101.3 Ų101.336%0.36153%0.529SS..Hα-helixtrans-63.3-40.7176.2-171.267.3000112.1F547 V548 L555F547-H551 PolarHBondContact O-N 3.26Å; V548-H551 PolarHBondContact O-N 2.73Å; H551-L555 WeakPolarHBondContact NE2-CD1 3.33Å; H551-L555 WeakPolarHBondContact O-CB 3.09Å; H551-L555 WeakPolarHBondContact O-CG 3.13Å; H551-L555 PolarHBondContact O-N 3.13Å; H551-L555 VanDerWaalsContact O-N 3.1Å
552R49.2Very low43.8Very low117 Ų11794.9 Ų94.944%0.44251%0.512SS..Hα-helixtrans-64.8-44.1177-163.1-179.376.576.56.5112V548 E549 M550 E556V548-R552 PolarHBondContact O-N 3.13Å; E549-R552 PolarHBondContact O-N 3.04Å; E549-R552 IonicContact OE1-CZ 3.01Å; E549-R552 IonicContact OE1-NE 3.22Å; E549-R552 PolarHBondContact OE1-NE 2.92Å; E549-R552 IonicContact OE1-NH2 3.31Å; E549-R552 PolarHBondContact OE1-NH2 3.29Å; E549-R552 IonicContact OE2-NE 2.71Å; M550-R552 PolarHBondContact O-N 3.13Å; R552-E556 IonicContact CZ-OE1 3.93Å; R552-E556 IonicContact NH1-OE1 2.86Å; R552-E556 PolarHBondContact NH1-OE1 3.01Å; R552-E556 WeakPolarHBondContact O-CB 3.37Å; R552-E556 PolarHBondContact O-N 3.42Å
553L47.9Very low44.8Very low98 Ų9895.8 Ų95.851%0.51350%0.504SS..Hα-helixtrans-68.6-38.5179.4-78164.6000113E549 M550 E556 L557E549-L553 HydrophobicContact CG-CD1 4.42Å; E549-L553 PolarHBondContact O-N 2.93Å; M550-L553 PolarHBondContact O-N 2.9Å; L553-E556 PolarHBondContact O-N 3.29Å; L553-L557 WeakPolarHBondContact O-CB 3.26Å; L553-L557 PolarHBondContact O-N 3Å
554L43.3Very low45.8Very low52 Ų5295.8 Ų95.827%0.27250%0.501SS..Hα-helixtrans-68.7-40.4177.3-81.5163.5000112.5F525 M550 L557 A558F525-L554 HydrophobicContact CD1-CD1 4.43Å; F525-L554 HydrophobicContact CE1-CD1 3.75Å; M550-L554 HydrophobicContact CG-CD1 3.89Å; M550-L554 WeakPolarHBondContact O-CB 3.17Å; M550-L554 WeakPolarHBondContact O-CG 3.42Å; M550-L554 PolarHBondContact O-N 3.17Å; L554-L557 PolarHBondContact O-N 2.88Å; L554-A558 WeakPolarHBondContact O-CB 3.37Å; L554-A558 PolarHBondContact O-N 3.37Å
555L46.1Very low46.5Very low87 Ų8795.3 Ų95.346%0.45550%0.497SS..Hα-helixtrans-64.5-42173.2-76.2170.7000111.7H551 L557 A559H551-L555 WeakPolarHBondContact NE2-CD1 3.33Å; H551-L555 WeakPolarHBondContact O-CB 3.09Å; H551-L555 WeakPolarHBondContact O-CG 3.13Å; H551-L555 PolarHBondContact O-N 3.13Å; H551-L555 VanDerWaalsContact O-N 3.1Å; L555-L557 VanDerWaalsContact C-N 3.33Å; L555-L557 PolarHBondContact O-N 2.98Å; L555-A559 VanDerWaalsContact O-CB 3.25Å; L555-A559 WeakPolarHBondContact O-CB 3.33Å; L555-A559 PolarHBondContact O-N 2.96Å
556E56.6Low46.7Very low60 Ų6091.4 Ų91.428%0.2849%0.485SS..Hα-helixtrans-63.5-37.4174.6-84.5-167.4-147.800112.7R552 L553 R560R552-E556 IonicContact CZ-OE1 3.93Å; R552-E556 IonicContact NH1-OE1 2.86Å; R552-E556 PolarHBondContact NH1-OE1 3.01Å; R552-E556 WeakPolarHBondContact O-CB 3.37Å; R552-E556 PolarHBondContact O-N 3.42Å; L553-E556 PolarHBondContact O-N 3.29Å; E556-R560 WeakPolarHBondContact O-CD 3.5Å; E556-R560 WeakPolarHBondContact O-CG 3.34Å; E556-R560 PolarHBondContact O-N 2.87Å; E556-R560 VanDerWaalsContact O-N 3.17Å; E556-R560 IonicContact OE2-CZ 3.89Å; E556-R560 IonicContact OE2-NE 3.26Å; E556-R560 IonicContact OE2-NH2 2.82Å; E556-R560 PolarHBondContact OE2-NH2 2.95Å
557L48.9Very low46.9Very low101 Ų10187.7 Ų87.753%0.52947%0.474SS..Hα-helixtrans-70.1-49.1179.2-160.178.2000110.6L553 L554 L555 A559 R560 T561L553-L557 WeakPolarHBondContact O-CB 3.26Å; L553-L557 PolarHBondContact O-N 3Å; L554-L557 PolarHBondContact O-N 2.88Å; L555-L557 VanDerWaalsContact C-N 3.33Å; L555-L557 PolarHBondContact O-N 2.98Å; L557-A559 VanDerWaalsContact C-N 3.33Å; L557-A559 PolarHBondContact O-N 3.04Å; L557-R560 PolarHBondContact O-N 2.94Å; L557-R560 VanDerWaalsContact O-N 3.15Å; L557-T561 PolarHBondContact O-N 2.52Å; L557-T561 PolarHBondContact O-OG1 3.4Å
558A45.2Very low47.1Very low48 Ų4885.7 Ų85.740%0.39747%0.474SS..Hα-helixtrans-60.2-40.7177.900000112.3L554 T561 A562L554-A558 WeakPolarHBondContact O-CB 3.37Å; L554-A558 PolarHBondContact O-N 3.37Å; A558-T561 PolarHBondContact O-N 3.44Å; A558-A562 WeakPolarHBondContact O-CB 2.99Å; A558-A562 PolarHBondContact O-N 3.47Å
559A55Low47.1Very low52 Ų5283.5 Ų83.543%0.4346%0.464SS..Hα-helixtrans-63.8-39.7175.600000112.5L555 L557 Q563L555-A559 VanDerWaalsContact O-CB 3.25Å; L555-A559 WeakPolarHBondContact O-CB 3.33Å; L555-A559 PolarHBondContact O-N 2.96Å; L557-A559 VanDerWaalsContact C-N 3.33Å; L557-A559 PolarHBondContact O-N 3.04Å; A559-Q563 WeakPolarHBondContact O-CB 3.22Å; A559-Q563 WeakPolarHBondContact O-CG 3.43Å; A559-Q563 PolarHBondContact O-N 2.88Å
560R59.4Low46.8Very low111 Ų11185.9 Ų85.942%0.41947%0.472SS..Hα-helixtrans-68.1-40.7177.2-72167.4-160.3-121.33.6112E556 L557 Q563 Q564 K714E556-R560 WeakPolarHBondContact O-CD 3.5Å; E556-R560 WeakPolarHBondContact O-CG 3.34Å; E556-R560 PolarHBondContact O-N 2.87Å; E556-R560 VanDerWaalsContact O-N 3.17Å; E556-R560 IonicContact OE2-CZ 3.89Å; E556-R560 IonicContact OE2-NE 3.26Å; E556-R560 IonicContact OE2-NH2 2.82Å; E556-R560 PolarHBondContact OE2-NH2 2.95Å; L557-R560 PolarHBondContact O-N 2.94Å; L557-R560 VanDerWaalsContact O-N 3.15Å; R560-Q563 PolarHBondContact O-N 2.92Å; R560-Q564 WeakPolarHBondContact O-CG 3.02Å; R560-Q564 PolarHBondContact O-N 2.84Å; R560-K714 VanDerWaalsContact NH1-NZ 3.15Å
561T49.9Very low46.5Very low86 Ų8686.7 Ų86.753%0.52849%0.488SS..Hα-helixtrans-68.4-39.7178.9-35.70000111.3L557 A558 Q564 A565L557-T561 PolarHBondContact O-N 2.52Å; L557-T561 PolarHBondContact O-OG1 3.4Å; A558-T561 PolarHBondContact O-N 3.44Å; T561-Q564 PolarHBondContact O-N 2.97Å; T561-A565 PolarHBondContact O-N 3.19Å
562A46.7Very low46.2Very low63 Ų6391.5 Ų91.552%0.52151%0.51SS..Hα-helixtrans-65.3-40.4174.500000112.4A558 A565 L566A558-A562 WeakPolarHBondContact O-CB 2.99Å; A558-A562 PolarHBondContact O-N 3.47Å; A562-A565 PolarHBondContact O-N 2.87Å; A562-L566 WeakPolarHBondContact O-CB 3.22Å; A562-L566 PolarHBondContact O-N 2.82Å
563Q51.4Low45.3Very low142 Ų14291.8 Ų91.866%0.66453%0.525SS*.Hα-helixtrans-66.3-37.5175-79.7-179.4-13.800112.8A559 R560 L566 A567A559-Q563 WeakPolarHBondContact O-CB 3.22Å; A559-Q563 WeakPolarHBondContact O-CG 3.43Å; A559-Q563 PolarHBondContact O-N 2.88Å; R560-Q563 PolarHBondContact O-N 2.92Å; Q563-L566 PolarHBondContact O-N 3.46Å; Q563-A567 WeakPolarHBondContact O-CB 3.45Å; Q563-A567 PolarHBondContact O-N 3.02Å
564Q49.6Very low44.4Very low144 Ų14492.6 Ų92.667%0.67353%0.534SS*.Hα-helixtrans-68.3-37.7176.7-78.6178.4-26.700112.7R560 T561 S568R560-Q564 WeakPolarHBondContact O-CG 3.02Å; R560-Q564 PolarHBondContact O-N 2.84Å; T561-Q564 PolarHBondContact O-N 2.97Å; Q564-S568 PolarHBondContact O-N 2.94Å; Q564-S568 PolarHBondContact O-OG 3.19Å; Q564-S568 VanDerWaalsContact O-OG 3.13Å
565A42.2Very low43.7Very low63 Ų6398.1 Ų98.152%0.52156%0.563SS.*Hα-helixtrans-69.5-32.9174.600000112.9T561 A562 S568T561-A565 PolarHBondContact O-N 3.19Å; A562-A565 PolarHBondContact O-N 2.87Å; A565-S568 PolarHBondContact O-OG 3.47Å
566L42.9Very low42.7Very low103 Ų10399 Ų9954%0.53958%0.576SS.*Hα-helixtrans-74.7-36.2176.9-146.482.4000112A562 Q563 S569 K570A562-L566 WeakPolarHBondContact O-CB 3.22Å; A562-L566 PolarHBondContact O-N 2.82Å; Q563-L566 PolarHBondContact O-N 3.46Å; L566-S569 PolarHBondContact O-N 2.97Å; L566-S569 PolarHBondContact O-OG 3.28Å; L566-K570 PolarHBondContact O-N 3.11Å
567A46.1Very low41.2Very low64 Ų64105.3 Ų105.353%0.52961%0.606SS.*Hα-helixtrans-69.1-34.6179.500000113Q563Q563-A567 WeakPolarHBondContact O-CB 3.45Å; Q563-A567 PolarHBondContact O-N 3.02Å
568S41.2Very low40.2Very low75 Ų75110 Ų11052%0.52463%0.625SS.*Hα-helixtrans-70.8-31.9174.447.80000112.8Q564 A565Q564-S568 PolarHBondContact O-N 2.94Å; Q564-S568 PolarHBondContact O-OG 3.19Å; Q564-S568 VanDerWaalsContact O-OG 3.13Å; A565-S568 PolarHBondContact O-OG 3.47Å
569S38.5Very low39.2Very low64 Ų64117 Ų11745%0.44865%0.647SS.*Hα-helixtrans-76.2-26.1177.575.60000114.7L566L566-S569 PolarHBondContact O-N 2.97Å; L566-S569 PolarHBondContact O-OG 3.28Å
570K38Very low37.8Very low143 Ų143120.6 Ų120.662%0.62266%0.663SS**Hα-helixtrans-85.6-16.3179.2-76.7-176.5175.6-177.90113.8L566 T574L566-K570 PolarHBondContact O-N 3.11Å; K570-T574 PolarHBondContact O-OG1 3.41Å
571A37.2Very low36.3Very low70 Ų70125.6 Ų125.658%0.57969%0.688SS**SBendtrans-78.2-19179.300000113.6
572E34.3Very low35.1Very low178 Ų178126.2 Ų126.283%0.83270%0.702SS**SBendtrans-95.8-5.6-176-77.5-176.1155.900115.1
573V31.3Very low34Very low123 Ų123132.9 Ų132.975%0.74572%0.719SS**SBendtrans-110.5-2.7-173.1-178.60000114
574T28.8Very low32.7Very low116 Ų116131.5 Ų131.571%0.71272%0.723SS**SBendtrans-114.726.8-170.5-3.90000115.9K570K570-T574 PolarHBondContact O-OG1 3.41Å
575L27.8Very low31.4Very low168 Ų168129.8 Ų129.888%0.8873%0.726SS**  trans-137.665.6179.1-77.5165000112.2
576S24.9Very low30.7Very low105 Ų105136.5 Ų136.573%0.73474%0.744SS**  trans-154.267.4163.466.60000112
577E26Very low29.7Very low193 Ų193138 Ų13890%0.90276%0.757SS**  trans-164.6143.9154.3-109158.7-160.500110.5
578E28.2Very low28.8Very low198 Ų198144.5 Ų144.593%0.92577%0.774SS**  trans81.8112.8179.8-59.6-165.3144.300120.7
579K24.7Very low28.1Very low197 Ų197149.7 Ų149.786%0.85779%0.789SS**  trans-93.3159.8172-75.1175.7169.31730111.4
580T24.1Very low27.6Very low127 Ų127156.1 Ų156.178%0.77981%0.812SS**  trans97.698.3150690000119.8
581K28.1Very low27.3Very low215 Ų215153.4 Ų153.494%0.93582%0.816SS**  179.7145106.6-95.8174.1-177.6175.30111.5
582A24.6Very low26.9Very low99 Ų99153.6 Ų153.682%0.81883%0.825SS**  trans-90.2141.3-167.500000114.5
583K23.6Very low26.7Very low204 Ų204154.5 Ų154.589%0.88783%0.829SS**  trans179.6163.2136.1-106.1-178.7-179.2-179.30111.4
584P24.3Very low26.8Very low113 Ų113157.1 Ų157.173%0.73483%0.834SS**  -103.9164-110.439.1-34.3000116.1
585S23.2Very low27.7Very low107 Ų107155.9 Ų155.975%0.74883%0.825SS**  trans-19115.5174.359.70000118.2
586K26.1Very low28.8Very low205 Ų205151.3 Ų151.389%0.89181%0.812SS**  trans-127.3110.4139.2-81.5-171.7178179.80109.1K588K586-K588 PolarHBondContact O-N 3.34Å
587T22.1Very low30.8Very low134 Ų134149.5 Ų149.582%0.82279%0.794SS**  trans-54.8119170.7-30.40000109.6
588K27.5Very low33.5Very low201 Ų201142.6 Ų142.687%0.87476%0.763SS**  trans-125.8111.6157.7-88.9-170.5175-175.60108.4K586K586-K588 PolarHBondContact O-N 3.34Å
589Q27.7Very low36.5Very low183 Ų183133.3 Ų133.386%0.85572%0.72SS**  trans-59.5128.3168.3-71.8161.9-27.800109.2A591Q589-A591 PolarHBondContact O-N 2.99Å
590H27.7Very low39.6Very low199 Ų199124.6 Ų124.692%0.92168%0.683SS**  trans-8797158.1-88.9-59000107.9
591A30.6Very low42.9Very low86 Ų86120.4 Ų120.471%0.71165%0.653SS**  trans-86130.2160.500000107.9Q589Q589-A591 PolarHBondContact O-N 2.99Å
592G28.6Very low46.1Very low74 Ų74110.4 Ų110.476%0.76361%0.61SS**  trans-63.1133165.900000109.3E594G592-E594 VanDerWaalsContact C-N 3.33Å; G592-E594 PolarHBondContact O-N 3.28Å
593E31.5Very low49.5Very low198 Ų198106.6 Ų106.693%0.92558%0.576SS**  trans-70.488.8177.3-81-179.315200110.2
594E33Very low53Low178 Ų17897 Ų9783%0.83253%0.534SS*.  trans-56.8135.5144.6-92-178.8147.300108.3G592 A596G592-E594 VanDerWaalsContact C-N 3.33Å; G592-E594 PolarHBondContact O-N 3.28Å; E594-A596 PolarHBondContact O-N 2.93Å
595V46.8Very low56.4Low89 Ų8994.3 Ų94.354%0.53951%0.509SS..  trans-66.890171.3-177.90000107.3L597V595-L597 PolarHBondContact O-N 3.48Å
596A52.3Low60Low72 Ų7289.3 Ų89.360%0.59548%0.475SS*.  trans-57.3126.6177.600000109.5E594 D598E594-A596 PolarHBondContact O-N 2.93Å; A596-D598 PolarHBondContact O-N 3.17Å
597L66.5Low63.4Low67 Ų6779.6 Ų79.635%0.35143%0.433SS..  trans-67.493.8174.8-78.1161.8000109.5V595 A720 K736V595-L597 PolarHBondContact O-N 3.48Å; L597-A720 HydrophobicContact CD2-CB 3.72Å; L597-A720 WeakPolarHBondContact CD2-O 3.25Å; L597-K736 PolarHBondContact O-NZ 3.45Å
598D82.3Confident67Low48 Ų4875.1 Ų75.126%0.25740%0.403SS..  trans-126.6113.1-174.1-176.25000111.2A596 S600 R601A596-D598 PolarHBondContact O-N 3.17Å; D598-S600 PolarHBondContact O-N 2.9Å; D598-S600 WeakPolarHBondContact OD1-CB 3.49Å; D598-S600 PolarHBondContact OD1-N 3Å; D598-S600 PolarHBondContact OD1-OG 3.09Å; D598-S600 PolarHBondContact OD2-OG 3.42Å; D598-R601 HydrophobicContact CB-CG 4.39Å
599F90.7Very high70.3Confident4 Ų465.5 Ų65.52%0.01836%0.362CS..G310 helixtrans-65-28177.5-178.6-90000112.3R601 L602 V604 C700 Y703 V721 L725 F735 L740F599-R601 PolarHBondContact O-N 3.01Å; F599-L602 HydrophobicContact CD2-CD1 4.17Å; F599-L602 HydrophobicContact CE2-CD1 4.27Å; F599-L602 WeakPolarHBondContact O-CB 3.33Å; F599-L602 PolarHBondContact O-N 3.38Å; F599-V604 HydrophobicContact CE2-CG2 4.26Å; F599-V604 HydrophobicContact CZ-CB 4.28Å; F599-V604 HydrophobicContact CZ-CG2 3.79Å; F599-C700 HydrophobicContact CB-CB 4.43Å; F599-C700 HydrophobicContact CD1-CB 3.55Å; F599-C700 HydrophobicContact CE1-CB 3.95Å; F599-C700 HydrophobicContact CG-CB 4.02Å; F599-Y703 HydrophobicContact CB-CG 4.3Å; F599-V721 HydrophobicContact CD2-CG1 4.24Å; F599-L725 HydrophobicContact CD2-CD2 4.14Å; F599-L725 HydrophobicContact CE2-CD2 3.9Å; F599-F735 HydrophobicContact CB-CD1 3.61Å; F599-F735 HydrophobicContact CB-CE1 3.65Å; F599-F735 HydrophobicContact CB-CG 4.06Å; F599-F735 HydrophobicContact CB-CZ 4.17Å; F599-F735 HydrophobicContact CD2-CB 4.14Å; F599-F735 HydrophobicContact CD2-CD1 4.44Å; F599-F735 HydrophobicContact CD2-CD2 4.3Å; F599-F735 HydrophobicContact CD2-CG 4.05Å; F599-F735 HydrophobicContact CG-CD1 4.29Å; F599-F735 HydrophobicContact CG-CG 4.35Å; F599-L740 HydrophobicContact CD2-CD2 4.33Å; F599-L740 HydrophobicContact CE1-CD2 3.98Å; F599-L740 HydrophobicContact CE2-CD1 4.12Å; F599-L740 HydrophobicContact CE2-CD2 3.76Å; F599-L740 HydrophobicContact CZ-CD1 4.1Å; F599-L740 HydrophobicContact CZ-CD2 3.56Å; F599-L740 HydrophobicContact CZ-CG 4.47Å
600S90.4Very high73.6Confident14 Ų1460.9 Ų60.910%0.09834%0.339CS..G310 helixtrans-61.5-17.4-174.881.80000114.1D598 L602 Y703 I706 P707D598-S600 PolarHBondContact O-N 2.9Å; D598-S600 WeakPolarHBondContact OD1-CB 3.49Å; D598-S600 PolarHBondContact OD1-N 3Å; D598-S600 PolarHBondContact OD1-OG 3.09Å; D598-S600 PolarHBondContact OD2-OG 3.42Å; S600-L602 VanDerWaalsContact C-N 3.33Å; S600-Y703 WeakPolarHBondContact CB-O 3.49Å; S600-I706 CarbonylContact O-C 3.56Å; S600-P707 WeakPolarHBondContact O-CA 3.48Å
601R93.1Very high76.9Confident39 Ų3954.4 Ų54.415%0.14731%0.313CS..G310 helixtrans-76.5-20177-60.4175.866.7-164.2-1.9112.7D598 F599 N659 E708 V717D598-R601 HydrophobicContact CB-CG 4.39Å; F599-R601 PolarHBondContact O-N 3.01Å; R601-N659 PolarHBondContact O-ND2 3.38Å; R601-E708 IonicContact CZ-OE1 3.1Å; R601-E708 IonicContact NE-OE1 2.67Å; R601-E708 PolarHBondContact NE-OE1 3.36Å; R601-E708 IonicContact NH2-OE1 2.78Å; R601-E708 PolarHBondContact NH2-OE1 3.29Å; R601-E708 IonicContact NH2-OE2 3.78Å; R601-E708 PolarHBondContact O-N 2.89Å; R601-E708 VanDerWaalsContact O-N 3.13Å; R601-V717 HydrophobicContact CB-CG1 4.19Å; R601-V717 VanDerWaalsContact CZ-CG2 3.49Å
602L94.5Very high80Confident5 Ų550.7 Ų50.73%0.02628%0.282CS..SBendtrans-82.8136.5179.1-57.2-170.3000110.7F599 S600 V604 L657 L711 V717 W718 V721F599-L602 HydrophobicContact CD2-CD1 4.17Å; F599-L602 HydrophobicContact CE2-CD1 4.27Å; F599-L602 WeakPolarHBondContact O-CB 3.33Å; F599-L602 PolarHBondContact O-N 3.38Å; S600-L602 VanDerWaalsContact C-N 3.33Å; L602-V604 HydrophobicContact CB-CG2 3.82Å; L602-V604 PolarHBondContact O-N 3.43Å; L602-L657 HydrophobicContact CB-CD1 3.86Å; L602-L657 HydrophobicContact CD1-CD1 4.38Å; L602-L657 HydrophobicContact CD2-CD1 4.26Å; L602-L657 HydrophobicContact CG-CD1 4.39Å; L602-L711 HydrophobicContact CD2-CD1 3.59Å; L602-L711 HydrophobicContact CD2-CD2 4.4Å; L602-V717 HydrophobicContact CD2-CG1 4.36Å; L602-W718 HydrophobicContact CD1-CE3 3.84Å; L602-W718 HydrophobicContact CD1-CZ3 3.87Å; L602-W718 HydrophobicContact CD2-CE3 4.41Å; L602-V721 HydrophobicContact CD1-CB 4.27Å; L602-V721 HydrophobicContact CD1-CG1 3.61Å; L602-V721 HydrophobicContact CG-CG1 4.45Å
603D96Very high83.2Confident18 Ų1852.9 Ų52.910%0.09627%0.268CS..  trans-93.788.2171.9-174.611.3000108.2R605 C658 N659 P707D603-R605 WeakPolarHBondContact OD1-CG 3.27Å; D603-R605 IonicContact OD1-CZ 3.33Å; D603-R605 IonicContact OD1-NE 2.68Å; D603-R605 PolarHBondContact OD1-NE 2.76Å; D603-R605 IonicContact OD1-NH2 2.8Å; D603-R605 PolarHBondContact OD1-NH2 3.38Å; D603-R605 IonicContact OD2-CZ 3.32Å; D603-R605 IonicContact OD2-NE 2.72Å; D603-R605 PolarHBondContact OD2-NE 3.45Å; D603-R605 IonicContact OD2-NH2 2.72Å; D603-R605 PolarHBondContact OD2-NH2 2.82Å; D603-C658 HydrophobicContact CB-CB 4.32Å; D603-C658 PolarHBondContact O-N 2.81Å; D603-N659 HydrophobicContact CB-CB 3.58Å; D603-N659 VanDerWaalsContact CB-CG 3.46Å; D603-N659 PolarHBondContact N-ND2 3.24Å; D603-N659 VanDerWaalsContact N-ND2 3.18Å; D603-N659 PolarHBondContact N-OD1 2.92Å; D603-N659 VanDerWaalsContact N-OD1 3.08Å; D603-P707 HydrophobicContact CB-CB 3.72Å; D603-P707 HydrophobicContact CB-CG 4.41Å
604V97Very high86.3Confident3 Ų349.9 Ų49.92%0.01825%0.252CS..EExtended strand (participates in β ladder)trans-103123.7-179.9-170.70000108.9F599 L602 V655 L656 L657 L675 V698F599-V604 HydrophobicContact CE2-CG2 4.26Å; F599-V604 HydrophobicContact CZ-CB 4.28Å; F599-V604 HydrophobicContact CZ-CG2 3.79Å; L602-V604 HydrophobicContact CB-CG2 3.82Å; L602-V604 PolarHBondContact O-N 3.43Å; V604-V655 HydrophobicContact CG1-CG1 3.36Å; V604-L656 CarbonylContact C-O 3.51Å; V604-L656 VanDerWaalsContact CA-O 3.29Å; V604-L656 WeakPolarHBondContact CA-O 3.43Å; V604-L657 HydrophobicContact CG2-CD1 4.02Å; V604-L675 HydrophobicContact CG1-CD1 3.93Å; V604-V698 HydrophobicContact CB-CB 4.01Å; V604-V698 HydrophobicContact CG1-CB 3.73Å; V604-V698 HydrophobicContact CG1-CG1 4.16Å; V604-V698 HydrophobicContact CG1-CG2 4.07Å; V604-V698 PolarHBondContact O-N 2.71Å
605R97.1Very high89.3Confident56 Ų5641.8 Ų41.821%0.21121%0.214CC..EExtended strand (participates in β ladder)trans-132.8155.6-176.4-56.3-170.3-164.9167.86.5112.2D603 E630 L656 D696D603-R605 WeakPolarHBondContact OD1-CG 3.27Å; D603-R605 IonicContact OD1-CZ 3.33Å; D603-R605 IonicContact OD1-NE 2.68Å; D603-R605 PolarHBondContact OD1-NE 2.76Å; D603-R605 IonicContact OD1-NH2 2.8Å; D603-R605 PolarHBondContact OD1-NH2 3.38Å; D603-R605 IonicContact OD2-CZ 3.32Å; D603-R605 IonicContact OD2-NE 2.72Å; D603-R605 PolarHBondContact OD2-NE 3.45Å; D603-R605 IonicContact OD2-NH2 2.72Å; D603-R605 PolarHBondContact OD2-NH2 2.82Å; R605-E630 IonicContact NH1-OE1 3.22Å; R605-E630 PolarHBondContact NH1-OE1 2.92Å; R605-L656 PolarHBondContact N-O 3.23Å; R605-L656 PolarHBondContact O-N 3.23Å; R605-D696 CarbonylContact C-O 3.56Å; R605-D696 VanDerWaalsContact CA-O 3.28Å; R605-D696 WeakPolarHBondContact CA-O 3.2Å
606V97.9Very high91.4Very high3 Ų342.1 Ų42.12%0.01822%0.218CC..EExtended strand (participates in β ladder)trans-71.9133.4162.7179.70000109P688 P694 G695 D696 V698 V742V606-P688 HydrophobicContact CB-CB 4.43Å; V606-P688 HydrophobicContact CG1-CB 3.91Å; V606-P688 HydrophobicContact CG1-CG 3.81Å; V606-P688 HydrophobicContact CG2-CB 3.67Å; V606-P688 HydrophobicContact CG2-CG 4.48Å; V606-P694 WeakPolarHBondContact O-CA 3.44Å; V606-G695 PolarHBondContact O-N 2.79Å; V606-D696 HydrophobicContact CB-CB 4.15Å; V606-D696 HydrophobicContact CG2-CB 4.04Å; V606-D696 PolarHBondContact N-O 3.08Å; V606-V698 HydrophobicContact CG2-CG2 4.22Å; V606-V742 HydrophobicContact CG2-CG2 3.6Å
607G97.2Very high93.3Very high1 Ų144.4 Ų44.41%0.0122%0.22CC..EExtended strand (participates in β ladder)trans-132.9164172.800000112.3D627 P653 A654G607-D627 CarbonylContact C-O 3.52Å; G607-D627 WeakPolarHBondContact CA-O 3.47Å; G607-P653 CarbonylContact O-C 3.52Å; G607-P653 WeakPolarHBondContact O-CA 3.34Å; G607-A654 PolarHBondContact N-O 2.9Å; G607-A654 PolarHBondContact O-N 2.95Å
608L97.6Very high94.4Very high39 Ų3941.7 Ų41.720%0.20421%0.207CC..EExtended strand (participates in β ladder)trans-117.2114.8175.9-179.670.4000108.9K610 V626 D627 P653 P694L608-K610 PolarHBondContact O-N 2.84Å; L608-V626 WeakPolarHBondContact O-CA 3.47Å; L608-D627 HydrophobicContact CB-CB 4.42Å; L608-D627 PolarHBondContact N-O 2.91Å; L608-D627 PolarHBondContact O-N 3.15Å; L608-P653 HydrophobicContact CD1-CG 4.33Å; L608-P694 HydrophobicContact CB-CG 3.76Å
609I97.6Very high94.8Very high0 Ų046.5 Ų46.50%023%0.233CC..EExtended strand (participates in β ladder)trans-69.898.2171.7-55.3175.8000107A612 E624 V626 M649 N651 R652 A654 I685I609-A612 HydrophobicContact CG2-CB 4.31Å; I609-E624 HydrophobicContact CG2-CB 4.2Å; I609-E624 HydrophobicContact CG2-CG 4.21Å; I609-V626 HydrophobicContact CG1-CG1 4.44Å; I609-V626 HydrophobicContact CG1-CG2 4.12Å; I609-M649 HydrophobicContact CD1-CE 4.02Å; I609-M649 VanDerWaalsContact CG2-O 3.24Å; I609-M649 WeakPolarHBondContact CG2-O 3.44Å; I609-N651 CarbonylContact O-C 3.58Å; I609-N651 WeakPolarHBondContact O-CA 3.13Å; I609-N651 PolarHBondContact O-N 3.04Å; I609-R652 PolarHBondContact N-O 3.22Å; I609-R652 PolarHBondContact O-N 3.43Å; I609-A654 HydrophobicContact CD1-CB 4.12Å; I609-A654 HydrophobicContact CG1-CB 4.27Å; I609-I685 HydrophobicContact CD1-CD1 4.28Å
610K96.3Very high94.9Very high86 Ų8649 Ų4937%0.37425%0.251SS..EExtended strand (participates in β ladder)trans-69.2-45.5-178.3-73.7-178.1169.31610110.9L608 E625 D627 P633L608-K610 PolarHBondContact O-N 2.84Å; K610-E625 WeakPolarHBondContact CB-O 3.08Å; K610-E625 PolarHBondContact N-O 2.52Å; K610-D627 HydrophobicContact CD-CB 4.23Å; K610-D627 VanDerWaalsContact CE-OD2 3.28Å; K610-D627 WeakPolarHBondContact CE-OD2 3.08Å; K610-D627 HydrophobicContact CG-CB 4.42Å; K610-D627 IonicContact NZ-OD2 2.81Å; K610-D627 PolarHBondContact NZ-OD2 2.89Å; K610-P633 HydrophobicContact CD-CG 4.1Å
611T96.8Very high95.2Very high62 Ų6249.6 Ų49.638%0.3825%0.253SS..EExtended strand (participates in β ladder)trans-143.1146.7177.464.10000110.2E624 E625T611-E624 CarbonylContact O-C 3.53Å; T611-E624 VanDerWaalsContact O-CA 3.27Å; T611-E624 WeakPolarHBondContact O-CA 3.48Å; T611-E625 PolarHBondContact O-N 3.13Å
612A96.9Very high95.4Very high8 Ų848 Ų487%0.06625%0.247CC..EExtended strand (participates in β ladder)trans-130.7136.4168.200000109.7I609 E624 V646 M649 Q650I609-A612 HydrophobicContact CG2-CB 4.31Å; A612-E624 HydrophobicContact CB-CG 4.03Å; A612-V646 WeakPolarHBondContact O-CG2 3.32Å; A612-M649 HydrophobicContact CB-CB 3.56Å; A612-M649 HydrophobicContact CB-CG 4.4Å; A612-Q650 PolarHBondContact O-NE2 3.2Å
613R96.2Very high95.5Very high120 Ų12047.7 Ų47.745%0.45325%0.245SC..EExtended strand (participates in β ladder)trans-137.5152.6175.664.6-174.6179.8-80.33.3109.9Y622 V623R613-Y622 CarbonylContact O-C 3.54Å; R613-Y622 WeakPolarHBondContact O-CA 3.32Å; R613-V623 HydrophobicContact CG-CB 4.04Å; R613-V623 PolarHBondContact N-O 3.41Å; R613-V623 PolarHBondContact O-N 2.99Å
614K95.9Very high95.6Very high136 Ų13646.9 Ų46.959%0.59124%0.241SC*.EExtended strand (participates in β ladder)trans-61.6142.3174.1-69.3-171.2177-171.40110.4Y622K614-Y622 HydrophobicContact CG-CD1 4.3Å; K614-Y622 HydrophobicContact CG-CE1 3.98Å
615H95.3Very high95.7Very high7 Ų749 Ų493%0.03225%0.251CS..EExtended strand (participates in β ladder)trans-65.6134.7175.4-171.4-70.6000109.7D617 A618 L621 V623 M665 R666 I668H615-D617 VanDerWaalsContact C-N 3.29Å; H615-D617 PolarHBondContact ND1-N 3.16Å; H615-D617 PolarHBondContact O-N 3.48Å; H615-A618 HydrophobicContact CB-CB 4.07Å; H615-A618 PolarHBondContact ND1-N 3Å; H615-A618 PolarHBondContact O-N 3.46Å; H615-L621 HydrophobicContact CB-CB 3.72Å; H615-L621 WeakPolarHBondContact CB-O 3.47Å; H615-L621 PolarHBondContact N-O 3.29Å; H615-V623 HydrophobicContact CB-CG2 3.96Å; H615-M665 PolarHBondContact NE2-O 2.9Å; H615-R666 VanDerWaalsContact CE1-CB 3.47Å; H615-R666 WeakPolarHBondContact CE1-CB 3.45Å; H615-R666 PolarHBondContact CE1-O 3.15Å; H615-R666 VanDerWaalsContact CE1-O 3.32Å; H615-I668 WeakPolarHBondContact NE2-CD1 2.97Å; H615-I668 WeakPolarHBondContact NE2-CG1 3.37Å
616P91.9Very high95.7Very high96 Ų9646.4 Ų46.462%0.62324%0.241SC*.THydrogen-bonded Turntrans-61.7-37.5-174.923.2-34000112.9I668P616-I668 HydrophobicContact CG-CD1 4.31Å
617D92.3Very high95.7Very high121 Ų12147.6 Ų47.665%0.64725%0.247SC*.THydrogen-bonded Turntrans-11018.7-176.1-51-53.9000113.8H615H615-D617 VanDerWaalsContact C-N 3.29Å; H615-D617 PolarHBondContact ND1-N 3.16Å; H615-D617 PolarHBondContact O-N 3.48Å
618A90.1Very high95.6Very high10 Ų1047.6 Ų47.68%0.08325%0.247CC..EExtended strand (participates in β ladder)trans-154.8118.8179.800000113.8H615 S620 L621 R666H615-A618 HydrophobicContact CB-CB 4.07Å; H615-A618 PolarHBondContact ND1-N 3Å; H615-A618 PolarHBondContact O-N 3.46Å; A618-S620 VanDerWaalsContact C-N 3.28Å; A618-S620 PolarHBondContact O-N 2.79Å; A618-L621 HydrophobicContact CB-CB 4.09Å; A618-L621 HydrophobicContact CB-CD1 3.74Å; A618-L621 HydrophobicContact CB-CG 3.92Å; A618-L621 PolarHBondContact O-N 3.27Å; A618-R666 HydrophobicContact CB-CG 4.07Å
619D90.7Very high95.4Very high149 Ų14947.9 Ų47.980%0.79726%0.26SS*.EExtended strand (participates in β ladder)trans-70.5-21.7-174.7-58.3-34000114.2V641D619-V641 WeakPolarHBondContact O-CG1 3.47Å
620S92.5Very high95.2Very high57 Ų5751.3 Ų51.340%0.39928%0.276SS..EExtended strand (participates in β ladder)trans-100.52.7-17667.90000114.2A618 G639 V641A618-S620 VanDerWaalsContact C-N 3.28Å; A618-S620 PolarHBondContact O-N 2.79Å; S620-G639 CarbonylContact O-C 3.59Å; S620-G639 WeakPolarHBondContact O-CA 3.25Å; S620-V641 VanDerWaalsContact C-CG2 3.42Å
621L96Very high94.6Very high25 Ų2551.4 Ų51.413%0.13130%0.301CS..EExtended strand (participates in β ladder)trans-117.9139.3-172.6-59.6-179.6000112.7H615 A618 I637 S638 V641 M665 R666H615-L621 HydrophobicContact CB-CB 3.72Å; H615-L621 WeakPolarHBondContact CB-O 3.47Å; H615-L621 PolarHBondContact N-O 3.29Å; A618-L621 HydrophobicContact CB-CB 4.09Å; A618-L621 HydrophobicContact CB-CD1 3.74Å; A618-L621 HydrophobicContact CB-CG 3.92Å; A618-L621 PolarHBondContact O-N 3.27Å; L621-I637 HydrophobicContact CB-CG2 4.09Å; L621-I637 HydrophobicContact CD1-CG2 3.9Å; L621-I637 HydrophobicContact CD2-CG2 4.26Å; L621-I637 HydrophobicContact CG-CG2 4.31Å; L621-S638 CarbonylContact C-O 3.58Å; L621-S638 VanDerWaalsContact CA-O 3.26Å; L621-S638 WeakPolarHBondContact CA-O 3.46Å; L621-V641 WeakPolarHBondContact O-CG2 3.27Å; L621-M665 HydrophobicContact CD1-CB 4.38Å; L621-R666 HydrophobicContact CD1-CG 4.35Å
622Y97.3Very high94.5Very high5 Ų556.4 Ų56.42%0.0232%0.318CS..EExtended strand (participates in β ladder)trans-96.4150.5162.8-72.4-54.7000110.9R613 K614 I637 S638 L640 V641 I644 V646 M649R613-Y622 CarbonylContact O-C 3.54Å; R613-Y622 WeakPolarHBondContact O-CA 3.32Å; K614-Y622 HydrophobicContact CG-CD1 4.3Å; K614-Y622 HydrophobicContact CG-CE1 3.98Å; Y622-I637 WeakPolarHBondContact O-CA 3.36Å; Y622-S638 PolarHBondContact N-O 3.35Å; Y622-S638 PolarHBondContact O-N 2.85Å; Y622-L640 HydrophobicContact CD2-CB 3.99Å; Y622-L640 HydrophobicContact CE2-CB 4.24Å; Y622-V641 HydrophobicContact CD1-CG2 3.76Å; Y622-V641 HydrophobicContact CD2-CG2 3.85Å; Y622-V641 HydrophobicContact CE1-CG2 3.79Å; Y622-V641 VanDerWaalsContact CE2-CA 3.47Å; Y622-V641 HydrophobicContact CE2-CB 4.25Å; Y622-V641 HydrophobicContact CE2-CG2 3.89Å; Y622-V641 HydrophobicContact CG-CG2 3.78Å; Y622-I644 WeakPolarHBondContact CE2-O 2.87Å; Y622-I644 PolarHBondContact OH-O 3Å; Y622-V646 HydrophobicContact CE1-CB 3.89Å; Y622-V646 HydrophobicContact CE1-CG2 3.87Å; Y622-V646 PolarHBondContact OH-N 2.95Å; Y622-M649 HydrophobicContact CD2-CE 4.12Å; Y622-M649 HydrophobicContact CD2-CG 4.3Å; Y622-M649 HydrophobicContact CE2-CG 3.98Å
623V97.4Very high94.4Very high0 Ų058.3 Ų58.30%033%0.329CS..EExtended strand (participates in β ladder)trans-110.3115.1165.6-173.40000107.2R613 H615 T635 I637 I668R613-V623 HydrophobicContact CG-CB 4.04Å; R613-V623 PolarHBondContact N-O 3.41Å; R613-V623 PolarHBondContact O-N 2.99Å; H615-V623 HydrophobicContact CB-CG2 3.96Å; V623-T635 HydrophobicContact CG1-CG2 3.87Å; V623-I637 HydrophobicContact CB-CD1 4.01Å; V623-I637 HydrophobicContact CG1-CD1 3.89Å; V623-I637 HydrophobicContact CG2-CD1 3.7Å; V623-I668 HydrophobicContact CG1-CD1 4.47Å; V623-I668 HydrophobicContact CG1-CG2 4.49Å; V623-I668 HydrophobicContact CG2-CD1 3.77Å
624E98Very high94.5Very high0 Ų054.5 Ų54.50%032%0.315CS..EExtended strand (participates in β ladder)trans-113.8140-172.7-61.5148174.900110.3I609 T611 A612 V626 T635 V636 S638 M649I609-E624 HydrophobicContact CG2-CB 4.2Å; I609-E624 HydrophobicContact CG2-CG 4.21Å; T611-E624 CarbonylContact O-C 3.53Å; T611-E624 VanDerWaalsContact O-CA 3.27Å; T611-E624 WeakPolarHBondContact O-CA 3.48Å; A612-E624 HydrophobicContact CB-CG 4.03Å; E624-V626 HydrophobicContact CB-CG2 3.8Å; E624-T635 CarbonylContact O-C 3.56Å; E624-T635 WeakPolarHBondContact O-CA 3.28Å; E624-V636 HydrophobicContact CB-CB 4.24Å; E624-V636 WeakPolarHBondContact CB-O 3.46Å; E624-V636 PolarHBondContact N-O 3.1Å; E624-V636 PolarHBondContact O-N 2.72Å; E624-V636 WeakPolarHBondContact OE2-CB 3.5Å; E624-V636 WeakPolarHBondContact OE2-CG1 3.36Å; E624-S638 WeakPolarHBondContact OE1-CB 3.44Å; E624-S638 PolarHBondContact OE1-OG 3.22Å; E624-M649 HydrophobicContact CG-CE 4.35Å; E624-M649 WeakPolarHBondContact OE1-CE 3.49Å
625E97.9Very high94.5Very high49 Ų4949.6 Ų49.623%0.22930%0.296CS..EExtended strand (participates in β ladder)trans-102107.1166.2-67.6-63.6138.800108.1K610 T611 P633 T635K610-E625 WeakPolarHBondContact CB-O 3.08Å; K610-E625 PolarHBondContact N-O 2.52Å; T611-E625 PolarHBondContact O-N 3.13Å; E625-P633 HydrophobicContact CB-CB 4.31Å; E625-T635 PolarHBondContact OE1-OG1 2.77Å; E625-T635 VanDerWaalsContact OE1-OG1 3.11Å
626V97.9Very high94.7Very high0 Ų049.2 Ų49.20%030%0.295CS..EExtended strand (participates in β ladder)trans-112.1119.7-171.6-168.90000110.3L608 I609 E624 V628 P633 R634 V636 L656L608-V626 WeakPolarHBondContact O-CA 3.47Å; I609-V626 HydrophobicContact CG1-CG1 4.44Å; I609-V626 HydrophobicContact CG1-CG2 4.12Å; E624-V626 HydrophobicContact CB-CG2 3.8Å; V626-V628 HydrophobicContact CG1-CG1 4.01Å; V626-P633 CarbonylContact O-C 3.47Å; V626-P633 WeakPolarHBondContact O-CA 3.21Å; V626-R634 PolarHBondContact N-O 2.89Å; V626-R634 PolarHBondContact O-N 3.45Å; V626-V636 HydrophobicContact CB-CG2 4.07Å; V626-V636 HydrophobicContact CG2-CB 3.92Å; V626-V636 HydrophobicContact CG2-CG2 3.65Å; V626-L656 HydrophobicContact CG1-CD1 4.12Å; V626-L656 HydrophobicContact CG1-CD2 3.96Å; V626-L656 HydrophobicContact CG1-CG 3.93Å
627D97.8Very high94.9Very high29 Ų2945.1 Ų45.116%0.15527%0.267CS..EExtended strand (participates in β ladder)trans-79.5118.1170.9-168.3-21.5000109.4G607 L608 K610 G629 P694G607-D627 CarbonylContact C-O 3.52Å; G607-D627 WeakPolarHBondContact CA-O 3.47Å; L608-D627 HydrophobicContact CB-CB 4.42Å; L608-D627 PolarHBondContact N-O 2.91Å; L608-D627 PolarHBondContact O-N 3.15Å; K610-D627 HydrophobicContact CD-CB 4.23Å; K610-D627 VanDerWaalsContact CE-OD2 3.28Å; K610-D627 WeakPolarHBondContact CE-OD2 3.08Å; K610-D627 HydrophobicContact CG-CB 4.42Å; K610-D627 IonicContact NZ-OD2 2.81Å; K610-D627 PolarHBondContact NZ-OD2 2.89Å; D627-G629 PolarHBondContact OD1-N 2.88Å; D627-P694 HydrophobicContact CB-CB 4.26Å; D627-P694 HydrophobicContact CB-CG 4.42Å
628V96.4Very high95.1Very high0 Ų040 Ų400%024%0.241CC..  trans-115.426.1179.8-64.10000111.8V626 E630 R634 L656 G695V626-V628 HydrophobicContact CG1-CG1 4.01Å; V628-E630 HydrophobicContact CG2-CB 4.39Å; V628-E630 HydrophobicContact CG2-CG 4.02Å; V628-R634 HydrophobicContact CG2-CG 4.07Å; V628-L656 HydrophobicContact CG1-CB 4.25Å; V628-L656 HydrophobicContact CG1-CG 3.99Å; V628-G695 WeakPolarHBondContact O-CA 3.3Å
629G93.3Very high95.3Very high46 Ų4641.4 Ų41.447%0.47426%0.257SS..SBendtrans76.523.4-178.200000113.7D627 P694D627-G629 PolarHBondContact OD1-N 2.88Å; G629-P694 WeakPolarHBondContact CA-O 3.13Å
630E92.4Very high95.5Very high71 Ų7134.8 Ų34.833%0.33222%0.221SC..SBendtrans-105.1164.4176.3-69.2177.3178.200110.3R605 V628 K632 R634R605-E630 IonicContact NH1-OE1 3.22Å; R605-E630 PolarHBondContact NH1-OE1 2.92Å; V628-E630 HydrophobicContact CG2-CB 4.39Å; V628-E630 HydrophobicContact CG2-CG 4.02Å; E630-K632 PolarHBondContact O-N 2.84Å; E630-R634 IonicContact OE1-CZ 3.7Å; E630-R634 IonicContact OE1-NE 3.32Å; E630-R634 IonicContact OE1-NH2 3.39Å; E630-R634 PolarHBondContact OE1-NH2 3.26Å; E630-R634 IonicContact OE2-CZ 3.76Å; E630-R634 IonicContact OE2-NE 2.75Å; E630-R634 PolarHBondContact OE2-NE 2.87Å; E630-R634 IonicContact OE2-NH2 3.77Å; E630-R634 PolarHBondContact OE2-NH2 3.09Å
631G84.8Confident95.6Very high88 Ų8833 Ų3391%0.90721%0.208SC*.SBendtrans-62.8-13.2-178.400000114.7
632K92.9Very high95.4Very high168 Ų16837.6 Ų37.673%0.7323%0.233SC*.SBendtrans-141.4145.2173.5-65.4-176-179.1-179.80109.7E630E630-K632 PolarHBondContact O-N 2.84Å
633P95.6Very high95.1Very high48 Ų4841.9 Ų41.931%0.31225%0.251SS..PPolyproline II helixtrans-57.4149167.9-21.333.4000111.3K610 E625 V626K610-P633 HydrophobicContact CD-CG 4.1Å; E625-P633 HydrophobicContact CB-CB 4.31Å; V626-P633 CarbonylContact O-C 3.47Å; V626-P633 WeakPolarHBondContact O-CA 3.21Å
634R97.3Very high94.9Very high39 Ų3942.2 Ų42.215%0.14725%0.253CS..EExtended strand (participates in β ladder)trans-92.8142.9170.8-70.1-171.3-178.9-162.610.7109.8V626 V628 E630 C658 Q671V626-R634 PolarHBondContact N-O 2.89Å; V626-R634 PolarHBondContact O-N 3.45Å; V628-R634 HydrophobicContact CG2-CG 4.07Å; E630-R634 IonicContact OE1-CZ 3.7Å; E630-R634 IonicContact OE1-NE 3.32Å; E630-R634 IonicContact OE1-NH2 3.39Å; E630-R634 PolarHBondContact OE1-NH2 3.26Å; E630-R634 IonicContact OE2-CZ 3.76Å; E630-R634 IonicContact OE2-NE 2.75Å; E630-R634 PolarHBondContact OE2-NE 2.87Å; E630-R634 IonicContact OE2-NH2 3.77Å; E630-R634 PolarHBondContact OE2-NH2 3.09Å; R634-C658 PolarHBondContact NH1-O 2.98Å; R634-Q671 HydrophobicContact CB-CB 4.17Å; R634-Q671 HydrophobicContact CG-CB 4.38Å; R634-Q671 PolarHBondContact NH1-O 3.01Å
635T97.9Very high94.8Very high33 Ų3345 Ų4520%0.20227%0.271CS..EExtended strand (participates in β ladder)trans-78.5125.6167.6-55.90000109.3V623 E624 E625 I637 I668 Q671V623-T635 HydrophobicContact CG1-CG2 3.87Å; E624-T635 CarbonylContact O-C 3.56Å; E624-T635 WeakPolarHBondContact O-CA 3.28Å; E625-T635 PolarHBondContact OE1-OG1 2.77Å; E625-T635 VanDerWaalsContact OE1-OG1 3.11Å; T635-I637 HydrophobicContact CG2-CD1 4.42Å; T635-I668 HydrophobicContact CG2-CG2 3.91Å; T635-Q671 PolarHBondContact O-N 2.78Å
636V97.8Very high94.6Very high0 Ų045.4 Ų45.40%028%0.277CS..EExtended strand (participates in β ladder)trans-124.1135178.9-176.20000109.4E624 V626 A672 V674E624-V636 HydrophobicContact CB-CB 4.24Å; E624-V636 WeakPolarHBondContact CB-O 3.46Å; E624-V636 PolarHBondContact N-O 3.1Å; E624-V636 PolarHBondContact O-N 2.72Å; E624-V636 WeakPolarHBondContact OE2-CB 3.5Å; E624-V636 WeakPolarHBondContact OE2-CG1 3.36Å; V626-V636 HydrophobicContact CB-CG2 4.07Å; V626-V636 HydrophobicContact CG2-CB 3.92Å; V626-V636 HydrophobicContact CG2-CG2 3.65Å; V636-A672 HydrophobicContact CG2-CB 3.83Å; V636-V674 HydrophobicContact CG1-CG2 4.01Å
637I97.4Very high94.5Very high10 Ų1050.6 Ų50.65%0.05131%0.305CS..EExtended strand (participates in β ladder)trans-109.7123.2176.3-53-57.7000108.9L621 Y622 V623 T635 M665 I668 S670L621-I637 HydrophobicContact CB-CG2 4.09Å; L621-I637 HydrophobicContact CD1-CG2 3.9Å; L621-I637 HydrophobicContact CD2-CG2 4.26Å; L621-I637 HydrophobicContact CG-CG2 4.31Å; Y622-I637 WeakPolarHBondContact O-CA 3.36Å; V623-I637 HydrophobicContact CB-CD1 4.01Å; V623-I637 HydrophobicContact CG1-CD1 3.89Å; V623-I637 HydrophobicContact CG2-CD1 3.7Å; T635-I637 HydrophobicContact CG2-CD1 4.42Å; I637-M665 HydrophobicContact CB-CB 4.33Å; I637-M665 HydrophobicContact CB-SD 3.85Å; I637-M665 HydrophobicContact CG1-CB 4.46Å; I637-M665 HydrophobicContact CG2-CB 3.91Å; I637-M665 HydrophobicContact CG2-CG 4.38Å; I637-M665 HydrophobicContact CG2-SD 3.68Å; I637-I668 HydrophobicContact CD1-CB 4.09Å; I637-I668 HydrophobicContact CD1-CG2 3.79Å; I637-I668 HydrophobicContact CG1-CG2 4.37Å; I637-S670 PolarHBondContact N-OG 3.21Å
638S95.3Very high94.3Very high12 Ų1254.1 Ų54.18%0.08432%0.32CS..EExtended strand (participates in β ladder)trans-127.3148.2-17881.30000112.2L621 Y622 E624 L640L621-S638 CarbonylContact C-O 3.58Å; L621-S638 VanDerWaalsContact CA-O 3.26Å; L621-S638 WeakPolarHBondContact CA-O 3.46Å; Y622-S638 PolarHBondContact N-O 3.35Å; Y622-S638 PolarHBondContact O-N 2.85Å; E624-S638 WeakPolarHBondContact OE1-CB 3.44Å; E624-S638 PolarHBondContact OE1-OG 3.22Å; S638-L640 PolarHBondContact O-N 2.88Å
639G94.1Very high94.3Very high41 Ų4154.1 Ų54.142%0.42332%0.32SS..SBendtrans-84.229.9176.100000114.4S620S620-G639 CarbonylContact O-C 3.59Å; S620-G639 WeakPolarHBondContact O-CA 3.25Å
640L94.5Very high94.3Very high10 Ų1055.5 Ų55.55%0.05231%0.314CS..  trans-90-1.8-166.6-64.6173000114.7Y622 S638 N642 F643 I644 M649 V683 I685Y622-L640 HydrophobicContact CD2-CB 3.99Å; Y622-L640 HydrophobicContact CE2-CB 4.24Å; S638-L640 PolarHBondContact O-N 2.88Å; L640-N642 VanDerWaalsContact C-N 3.26Å; L640-N642 PolarHBondContact O-N 2.87Å; L640-F643 PolarHBondContact O-N 2.84Å; L640-I644 HydrophobicContact CD1-CD1 4.33Å; L640-I644 HydrophobicContact CD2-CD1 4.22Å; L640-I644 PolarHBondContact O-N 2.84Å; L640-M649 HydrophobicContact CB-CE 4.43Å; L640-M649 HydrophobicContact CD1-CE 3.73Å; L640-M649 HydrophobicContact CD1-SD 4.22Å; L640-V683 HydrophobicContact CD2-CB 4.43Å; L640-V683 HydrophobicContact CD2-CG1 3.57Å; L640-I685 HydrophobicContact CD1-CD1 4.09Å; L640-I685 HydrophobicContact CD1-CG1 4.12Å
641V94.8Very high94.5Very high20 Ų2057.6 Ų57.612%0.12133%0.328CS..THydrogen-bonded Turntrans-56.7-38-174.3-179.90000113.3D619 S620 L621 Y622 F643D619-V641 WeakPolarHBondContact O-CG1 3.47Å; S620-V641 VanDerWaalsContact C-CG2 3.42Å; L621-V641 WeakPolarHBondContact O-CG2 3.27Å; Y622-V641 HydrophobicContact CD1-CG2 3.76Å; Y622-V641 HydrophobicContact CD2-CG2 3.85Å; Y622-V641 HydrophobicContact CE1-CG2 3.79Å; Y622-V641 VanDerWaalsContact CE2-CA 3.47Å; Y622-V641 HydrophobicContact CE2-CB 4.25Å; Y622-V641 HydrophobicContact CE2-CG2 3.89Å; Y622-V641 HydrophobicContact CG-CG2 3.78Å; V641-F643 VanDerWaalsContact C-N 3.3Å; V641-F643 PolarHBondContact O-N 2.82Å
642N92Very high95Very high121 Ų12155.2 Ų55.265%0.64729%0.291SS*.THydrogen-bonded Turntrans-83.9-4.7-177.8-65.2-27.3000113.7L640L640-N642 VanDerWaalsContact C-N 3.26Å; L640-N642 PolarHBondContact O-N 2.87Å
643F92.6Very high95.2Very high94 Ų9450.3 Ų50.341%0.41228%0.277SS..THydrogen-bonded Turntrans-120.4-37.2-172.2-57-73.1000112.6L640 V641 V683L640-F643 PolarHBondContact O-N 2.84Å; V641-F643 VanDerWaalsContact C-N 3.3Å; V641-F643 PolarHBondContact O-N 2.82Å; F643-V683 HydrophobicContact CB-CB 3.89Å; F643-V683 HydrophobicContact CB-CG2 4.36Å; F643-V683 HydrophobicContact CD1-CB 4.1Å; F643-V683 HydrophobicContact CD1-CG2 3.72Å; F643-V683 HydrophobicContact CD2-CB 4.17Å; F643-V683 HydrophobicContact CD2-CG2 3.81Å; F643-V683 HydrophobicContact CE1-CG2 3.87Å; F643-V683 HydrophobicContact CE2-CG2 3.96Å; F643-V683 HydrophobicContact CG-CB 3.79Å; F643-V683 HydrophobicContact CG-CG2 3.69Å; F643-V683 HydrophobicContact CZ-CG2 3.98Å
644I93.1Very high95.2Very high7 Ų748 Ų484%0.03626%0.262CS..SBendtrans-127.1118.2-174.3-53.1-178.3000109.3Y622 L640 Q648 M649 I685Y622-I644 WeakPolarHBondContact CE2-O 2.87Å; Y622-I644 PolarHBondContact OH-O 3Å; L640-I644 HydrophobicContact CD1-CD1 4.33Å; L640-I644 HydrophobicContact CD2-CD1 4.22Å; L640-I644 PolarHBondContact O-N 2.84Å; I644-Q648 HydrophobicContact CG2-CB 3.83Å; I644-M649 HydrophobicContact CB-CG 4.48Å; I644-M649 HydrophobicContact CB-SD 3.96Å; I644-M649 HydrophobicContact CD1-SD 4.33Å; I644-M649 HydrophobicContact CG2-CG 3.94Å; I644-M649 HydrophobicContact CG2-SD 3.6Å; I644-I685 HydrophobicContact CD1-CD1 3.72Å; I644-I685 HydrophobicContact CD1-CG1 3.62Å
645P95Very high95.3Very high58 Ų5846.2 Ų46.238%0.37726%0.255SS..  trans-55.8143.3173.1-27.136.6000112.4D647 Q648 M649P645-D647 WeakPolarHBondContact CB-OD1 3.47Å; P645-D647 PolarHBondContact O-N 3.23Å; P645-Q648 HydrophobicContact CB-CG 4.35Å; P645-Q648 WeakPolarHBondContact O-CB 3.21Å; P645-Q648 PolarHBondContact O-N 3.16Å; P645-M649 PolarHBondContact O-N 2.86Å
646V94.7Very high95.3Very high58 Ų5844.6 Ų44.635%0.35225%0.246SC..G310 helixtrans-61.6-29-173.167.90000113.3A612 Y622 Q648 M649 Q650A612-V646 WeakPolarHBondContact O-CG2 3.32Å; Y622-V646 HydrophobicContact CE1-CB 3.89Å; Y622-V646 HydrophobicContact CE1-CG2 3.87Å; Y622-V646 PolarHBondContact OH-N 2.95Å; V646-Q648 VanDerWaalsContact C-N 3.34Å; V646-M649 WeakPolarHBondContact O-CB 3.49Å; V646-M649 PolarHBondContact O-N 3.11Å; V646-Q650 WeakPolarHBondContact O-CG 3.33Å; V646-Q650 PolarHBondContact O-N 3.38Å; V646-Q650 PolarHBondContact O-NE2 3.47Å
647D94.4Very high95.3Very high110 Ų11044.6 Ų44.659%0.58825%0.246SC*.G310 helixtrans-65.8-36.1174.255.9-63.4000111.8P645 M649 Q650P645-D647 WeakPolarHBondContact CB-OD1 3.47Å; P645-D647 PolarHBondContact O-N 3.23Å; D647-M649 PolarHBondContact O-N 3.48Å; D647-Q650 PolarHBondContact O-N 3.24Å
648Q94.2Very high95.2Very high103 Ų10344.3 Ų44.348%0.48124%0.244SC..G310 helixtrans-78.7-3175.1-59.3-176.921.100113.4I644 P645 V646 R652I644-Q648 HydrophobicContact CG2-CB 3.83Å; P645-Q648 HydrophobicContact CB-CG 4.35Å; P645-Q648 WeakPolarHBondContact O-CB 3.21Å; P645-Q648 PolarHBondContact O-N 3.16Å; V646-Q648 VanDerWaalsContact C-N 3.34Å; Q648-R652 WeakPolarHBondContact O-CD 3.43Å; Q648-R652 PolarHBondContact O-NH1 3.48Å; Q648-R652 VanDerWaalsContact O-NH1 3.09Å
649M95.5Very high95.3Very high0 Ų043.8 Ų43.80%024%0.241CC..G310 helixtrans-95.3-21.4172.9-63-68.7-70.700111.9I609 A612 Y622 E624 L640 I644 P645 V646 D647 I685I609-M649 HydrophobicContact CD1-CE 4.02Å; I609-M649 VanDerWaalsContact CG2-O 3.24Å; I609-M649 WeakPolarHBondContact CG2-O 3.44Å; A612-M649 HydrophobicContact CB-CB 3.56Å; A612-M649 HydrophobicContact CB-CG 4.4Å; Y622-M649 HydrophobicContact CD2-CE 4.12Å; Y622-M649 HydrophobicContact CD2-CG 4.3Å; Y622-M649 HydrophobicContact CE2-CG 3.98Å; E624-M649 HydrophobicContact CG-CE 4.35Å; E624-M649 WeakPolarHBondContact OE1-CE 3.49Å; L640-M649 HydrophobicContact CB-CE 4.43Å; L640-M649 HydrophobicContact CD1-CE 3.73Å; L640-M649 HydrophobicContact CD1-SD 4.22Å; I644-M649 HydrophobicContact CB-CG 4.48Å; I644-M649 HydrophobicContact CB-SD 3.96Å; I644-M649 HydrophobicContact CD1-SD 4.33Å; I644-M649 HydrophobicContact CG2-CG 3.94Å; I644-M649 HydrophobicContact CG2-SD 3.6Å; P645-M649 PolarHBondContact O-N 2.86Å; V646-M649 WeakPolarHBondContact O-CB 3.49Å; V646-M649 PolarHBondContact O-N 3.11Å; D647-M649 PolarHBondContact O-N 3.48Å; M649-I685 HydrophobicContact CE-CD1 4.12Å; M649-I685 HydrophobicContact SD-CD1 3.61Å
650Q94.6Very high95.2Very high74 Ų7444 Ų4435%0.34623%0.232SC..THydrogen-bonded Turntrans-72.1136.3-176.1-54.9-52-50.900111.2A612 V646 D647 R652A612-Q650 PolarHBondContact O-NE2 3.2Å; V646-Q650 WeakPolarHBondContact O-CG 3.33Å; V646-Q650 PolarHBondContact O-N 3.38Å; V646-Q650 PolarHBondContact O-NE2 3.47Å; D647-Q650 PolarHBondContact O-N 3.24Å; Q650-R652 PolarHBondContact O-N 3.3Å; Q650-R652 VanDerWaalsContact O-N 3.16Å
651N95.5Very high95.2Very high115 Ų11549.5 Ų49.562%0.61526%0.255SS*.THydrogen-bonded Turntrans5137.6176.6-162.138.2000113.5I609I609-N651 CarbonylContact O-C 3.58Å; I609-N651 WeakPolarHBondContact O-CA 3.13Å; I609-N651 PolarHBondContact O-N 3.04Å
652R95.4Very high95.2Very high38 Ų3850.7 Ų50.714%0.14326%0.263CS..EExtended strand (participates in β ladder)trans-101.2125.2-173179.8159.8-178.1172.66.6111.8I609 Q648 Q650I609-R652 PolarHBondContact N-O 3.22Å; I609-R652 PolarHBondContact O-N 3.43Å; Q648-R652 WeakPolarHBondContact O-CD 3.43Å; Q648-R652 PolarHBondContact O-NH1 3.48Å; Q648-R652 VanDerWaalsContact O-NH1 3.09Å; Q650-R652 PolarHBondContact O-N 3.3Å; Q650-R652 VanDerWaalsContact O-N 3.16Å
653P96.7Very high95.2Very high65 Ų6548.7 Ų48.742%0.42226%0.255SS..EExtended strand (participates in β ladder)trans-63.4139.2166.4-21.233.6000111.1G607 L608 P688G607-P653 CarbonylContact O-C 3.52Å; G607-P653 WeakPolarHBondContact O-CA 3.34Å; L608-P653 HydrophobicContact CD1-CG 4.33Å; P653-P688 HydrophobicContact CB-CG 3.66Å
654A97.5Very high95.2Very high0 Ų051.4 Ų51.40%027%0.267CS..EExtended strand (participates in β ladder)trans-148.1163.7-179.800000110.8G607 I609 L656 V674 I685G607-A654 PolarHBondContact N-O 2.9Å; G607-A654 PolarHBondContact O-N 2.95Å; I609-A654 HydrophobicContact CD1-CB 4.12Å; I609-A654 HydrophobicContact CG1-CB 4.27Å; A654-L656 HydrophobicContact CB-CD2 3.92Å; A654-L656 VanDerWaalsContact O-CD2 3.25Å; A654-L656 WeakPolarHBondContact O-CD2 3.31Å; A654-V674 HydrophobicContact CB-CG1 4.23Å; A654-I685 HydrophobicContact CB-CG2 3.63Å
655V98.1Very high95Very high1 Ų154.5 Ų54.51%0.00628%0.282CS..EExtended strand (participates in β ladder)trans-99.7128171-175.10000109.9V604 L675 L686 V698 I748V604-V655 HydrophobicContact CG1-CG1 3.36Å; V655-L675 HydrophobicContact CB-CB 4.48Å; V655-L675 HydrophobicContact CG1-CD1 3.97Å; V655-L675 PolarHBondContact O-N 2.77Å; V655-L686 HydrophobicContact CB-CB 4.29Å; V655-L686 HydrophobicContact CG2-CB 4.08Å; V655-V698 HydrophobicContact CG1-CG2 4Å; V655-I748 HydrophobicContact CG2-CD1 3.85Å; V655-I748 HydrophobicContact CG2-CG1 4.36Å; V655-I748 HydrophobicContact CG2-CG2 3.77Å
656L97.9Very high94.7Very high0 Ų060.7 Ų60.70%030%0.298CS..EExtended strand (participates in β ladder)trans-120.5138.6-171.7-69.1-58.8000110.9V604 R605 V626 V628 A654 M673 V674V604-L656 CarbonylContact C-O 3.51Å; V604-L656 VanDerWaalsContact CA-O 3.29Å; V604-L656 WeakPolarHBondContact CA-O 3.43Å; R605-L656 PolarHBondContact N-O 3.23Å; R605-L656 PolarHBondContact O-N 3.23Å; V626-L656 HydrophobicContact CG1-CD1 4.12Å; V626-L656 HydrophobicContact CG1-CD2 3.96Å; V626-L656 HydrophobicContact CG1-CG 3.93Å; V628-L656 HydrophobicContact CG1-CB 4.25Å; V628-L656 HydrophobicContact CG1-CG 3.99Å; A654-L656 HydrophobicContact CB-CD2 3.92Å; A654-L656 VanDerWaalsContact O-CD2 3.25Å; A654-L656 WeakPolarHBondContact O-CD2 3.31Å; L656-M673 CarbonylContact C-O 3.36Å; L656-M673 WeakPolarHBondContact CA-O 3.42Å; L656-V674 HydrophobicContact CD1-CB 4.26Å; L656-V674 HydrophobicContact CD1-CG2 3.73Å
657L97.3Very high94.4Very high0 Ų061 Ų610%031%0.313CS..EExtended strand (participates in β ladder)trans-94.5113.1165.217961.5000109.9L602 V604 N659 L660 A672 M673 L675 W718L602-L657 HydrophobicContact CB-CD1 3.86Å; L602-L657 HydrophobicContact CD1-CD1 4.38Å; L602-L657 HydrophobicContact CD2-CD1 4.26Å; L602-L657 HydrophobicContact CG-CD1 4.39Å; V604-L657 HydrophobicContact CG2-CD1 4.02Å; L657-N659 WeakPolarHBondContact CD1-OD1 3.18Å; L657-L660 HydrophobicContact CD2-CD1 3.63Å; L657-L660 HydrophobicContact CD2-CD2 4.15Å; L657-L660 HydrophobicContact CD2-CG 3.68Å; L657-L660 HydrophobicContact CG-CD1 4.15Å; L657-L660 HydrophobicContact CG-CG 3.99Å; L657-A672 WeakPolarHBondContact O-CA 3.32Å; L657-A672 WeakPolarHBondContact O-CB 3.43Å; L657-M673 HydrophobicContact CB-CB 4.49Å; L657-M673 HydrophobicContact CB-CE 4.37Å; L657-M673 HydrophobicContact CD2-CE 3.82Å; L657-M673 PolarHBondContact N-O 2.99Å; L657-M673 PolarHBondContact O-N 3.11Å; L657-M673 VanDerWaalsContact O-N 3.1Å; L657-L675 HydrophobicContact CB-CD2 4.31Å; L657-W718 HydrophobicContact CD2-CD2 3.8Å; L657-W718 HydrophobicContact CD2-CE3 3.46Å; L657-W718 VanDerWaalsContact CD2-CE3 3.46Å; L657-W718 HydrophobicContact CD2-CG 4.43Å; L657-W718 HydrophobicContact CD2-CH2 4.27Å; L657-W718 HydrophobicContact CD2-CZ3 3.72Å
658C96.9Very high94.3Very high4 Ų458 Ų583%0.02730%0.296CS..  trans-104.6-10.7-164.3-680000115D603 R634D603-C658 HydrophobicContact CB-CB 4.32Å; D603-C658 PolarHBondContact O-N 2.81Å; R634-C658 PolarHBondContact NH1-O 2.98Å
659N95.9Very high94.3Very high1 Ų156.8 Ų56.81%0.00529%0.29CS..  trans-109.718.1-177.168.3-14.2000114.4R601 D603 L657 E708 Q710 L711R601-N659 PolarHBondContact O-ND2 3.38Å; D603-N659 HydrophobicContact CB-CB 3.58Å; D603-N659 VanDerWaalsContact CB-CG 3.46Å; D603-N659 PolarHBondContact N-ND2 3.24Å; D603-N659 VanDerWaalsContact N-ND2 3.18Å; D603-N659 PolarHBondContact N-OD1 2.92Å; D603-N659 VanDerWaalsContact N-OD1 3.08Å; L657-N659 WeakPolarHBondContact CD1-OD1 3.18Å; N659-E708 VanDerWaalsContact CB-O 3.25Å; N659-E708 WeakPolarHBondContact CB-O 3.28Å; N659-E708 PolarHBondContact ND2-O 2.68Å; N659-Q710 CarbonylContact O-C 3.57Å; N659-Q710 WeakPolarHBondContact O-CA 3.37Å; N659-L711 PolarHBondContact O-N 2.87Å
660L93.6Very high94.4Very high45 Ų4557.2 Ų57.224%0.23629%0.293CS..SBendtrans-68.7154.4165.5-72.1174.1000110.9L657 M673 L711 W718L657-L660 HydrophobicContact CD2-CD1 3.63Å; L657-L660 HydrophobicContact CD2-CD2 4.15Å; L657-L660 HydrophobicContact CD2-CG 3.68Å; L657-L660 HydrophobicContact CG-CD1 4.15Å; L657-L660 HydrophobicContact CG-CG 3.99Å; L660-M673 HydrophobicContact CD1-CB 4.11Å; L660-M673 HydrophobicContact CD1-CE 4.09Å; L660-M673 HydrophobicContact CD1-SD 4.1Å; L660-L711 HydrophobicContact CD2-CD1 4.07Å; L660-W718 HydrophobicContact CD2-CB 4.05Å; L660-W718 HydrophobicContact CD2-CG 4.29Å
661K93.3Very high94.5Very high126 Ų12657 Ų5755%0.54829%0.293SS..PPolyproline II helixtrans-67130.5169.4-175.6-180176.3-175.60108.8V663 P713K661-V663 WeakPolarHBondContact O-CG2 3.33Å; K661-P713 HydrophobicContact CB-CG 4.08Å; K661-P713 HydrophobicContact CD-CG 3.91Å
662P94.5Very high94.5Very high44 Ų4451.9 Ų51.929%0.28627%0.266SS..PPolyproline II helixtrans-56.1139.9176.4-26.834000112.6E669 S670 Q710P662-E669 HydrophobicContact CB-CG 3.61Å; P662-S670 WeakPolarHBondContact CA-O 3.46Å; P662-Q710 VanDerWaalsContact CD-NE2 3.32Å
663V92.7Very high94.6Very high79 Ų7952.3 Ų52.348%0.47927%0.27SS..EExtended strand (participates in β ladder)trans-126.2132.6-177.8-179.90000109.4K661 S670K661-V663 WeakPolarHBondContact O-CG2 3.33Å; V663-S670 PolarHBondContact N-O 3.13Å; V663-S670 PolarHBondContact O-N 2.68Å
664K93.2Very high94.7Very high152 Ų15249.7 Ų49.766%0.66125%0.253SS*.EExtended strand (participates in β ladder)trans-78122.2171.2-70.9-172.5178.3-174.70110.2I668 E669K664-I668 CarbonylContact C-O 3.55Å; K664-I668 WeakPolarHBondContact CA-O 3.42Å; K664-E669 HydrophobicContact CG-CB 4.3Å
665M88.1Confident94.7Very high72 Ų7249.9 Ų49.936%0.35525%0.254SS..EExtended strand (participates in β ladder)trans-114.8111.7172.6-62.3-171.7-173.400107.5H615 L621 I637 G667 I668H615-M665 PolarHBondContact NE2-O 2.9Å; L621-M665 HydrophobicContact CD1-CB 4.38Å; I637-M665 HydrophobicContact CB-CB 4.33Å; I637-M665 HydrophobicContact CB-SD 3.85Å; I637-M665 HydrophobicContact CG1-CB 4.46Å; I637-M665 HydrophobicContact CG2-CB 3.91Å; I637-M665 HydrophobicContact CG2-CG 4.38Å; I637-M665 HydrophobicContact CG2-SD 3.68Å; M665-G667 PolarHBondContact O-N 3.01Å; M665-G667 VanDerWaalsContact O-N 3.1Å; M665-I668 PolarHBondContact N-O 2.83Å; M665-I668 PolarHBondContact O-N 3.02Å; M665-I668 VanDerWaalsContact O-N 3.13Å
666R88.4Confident94.7Very high188 Ų18850.2 Ų50.271%0.70926%0.257SS*.THydrogen-bonded Turntrans51.337.5179.9-63.6-77.8-176.2-160.3-0.4113.6H615 A618 L621H615-R666 VanDerWaalsContact CE1-CB 3.47Å; H615-R666 WeakPolarHBondContact CE1-CB 3.45Å; H615-R666 PolarHBondContact CE1-O 3.15Å; H615-R666 VanDerWaalsContact CE1-O 3.32Å; A618-R666 HydrophobicContact CB-CG 4.07Å; L621-R666 HydrophobicContact CD1-CG 4.35Å
667G88.7Confident94.6Very high64 Ų6450.2 Ų50.266%0.6626%0.257SS*.THydrogen-bonded Turntrans97.5-21.1175.300000115M665M665-G667 PolarHBondContact O-N 3.01Å; M665-G667 VanDerWaalsContact O-N 3.1Å
668I92.1Very high94.4Very high46 Ų4651 Ų5124%0.23626%0.262CS..EExtended strand (participates in β ladder)trans-98.2135.4178.4-53-178.3000109.9H615 P616 V623 T635 I637 K664 M665H615-I668 WeakPolarHBondContact NE2-CD1 2.97Å; H615-I668 WeakPolarHBondContact NE2-CG1 3.37Å; P616-I668 HydrophobicContact CG-CD1 4.31Å; V623-I668 HydrophobicContact CG1-CD1 4.47Å; V623-I668 HydrophobicContact CG1-CG2 4.49Å; V623-I668 HydrophobicContact CG2-CD1 3.77Å; T635-I668 HydrophobicContact CG2-CG2 3.91Å; I637-I668 HydrophobicContact CD1-CB 4.09Å; I637-I668 HydrophobicContact CD1-CG2 3.79Å; I637-I668 HydrophobicContact CG1-CG2 4.37Å; K664-I668 CarbonylContact C-O 3.55Å; K664-I668 WeakPolarHBondContact CA-O 3.42Å; M665-I668 PolarHBondContact N-O 2.83Å; M665-I668 PolarHBondContact O-N 3.02Å; M665-I668 VanDerWaalsContact O-N 3.13Å
669E95.2Very high94.1Very high78 Ų7853.1 Ų53.136%0.36428%0.275SS..EExtended strand (participates in β ladder)trans-84.6122.5-179.5-173.717696.900111P662 K664 Q671P662-E669 HydrophobicContact CB-CG 3.61Å; K664-E669 HydrophobicContact CG-CB 4.3Å; E669-Q671 HydrophobicContact CG-CG 4.43Å; E669-Q671 PolarHBondContact OE1-NE2 3.06Å
670S97.1Very high93.5Very high9 Ų962 Ų626%0.06331%0.313CS..EExtended strand (participates in β ladder)trans-88.4125.7169.7-164.90000110.1I637 P662 V663 A672I637-S670 PolarHBondContact N-OG 3.21Å; P662-S670 WeakPolarHBondContact CA-O 3.46Å; V663-S670 PolarHBondContact N-O 3.13Å; V663-S670 PolarHBondContact O-N 2.68Å; S670-A672 PolarHBondContact OG-O 3.27Å
671Q96.6Very high93.1Very high71 Ų7167 Ų6733%0.33234%0.336SS..  trans-106.5-0.6-174.2-62.5-176.7-25.700114R634 T635 E669R634-Q671 HydrophobicContact CB-CB 4.17Å; R634-Q671 HydrophobicContact CG-CB 4.38Å; R634-Q671 PolarHBondContact NH1-O 3.01Å; T635-Q671 PolarHBondContact O-N 2.78Å; E669-Q671 HydrophobicContact CG-CG 4.43Å; E669-Q671 PolarHBondContact OE1-NE2 3.06Å
672A96.6Very high93Very high7 Ų762.8 Ų62.86%0.05832%0.324CS..SBendtrans-156.2-176.3171.700000109V636 L657 S670V636-A672 HydrophobicContact CG2-CB 3.83Å; L657-A672 WeakPolarHBondContact O-CA 3.32Å; L657-A672 WeakPolarHBondContact O-CB 3.43Å; S670-A672 PolarHBondContact OG-O 3.27Å
673M97Very high92.9Very high46 Ų4661.6 Ų61.623%0.22732%0.316CS..EExtended strand (participates in β ladder)trans-136.8131.9175.5-177.8174.677.100109.9L656 L657 L660 L675 W718 K759L656-M673 CarbonylContact C-O 3.36Å; L656-M673 WeakPolarHBondContact CA-O 3.42Å; L657-M673 HydrophobicContact CB-CB 4.49Å; L657-M673 HydrophobicContact CB-CE 4.37Å; L657-M673 HydrophobicContact CD2-CE 3.82Å; L657-M673 PolarHBondContact N-O 2.99Å; L657-M673 PolarHBondContact O-N 3.11Å; L657-M673 VanDerWaalsContact O-N 3.1Å; L660-M673 HydrophobicContact CD1-CB 4.11Å; L660-M673 HydrophobicContact CD1-CE 4.09Å; L660-M673 HydrophobicContact CD1-SD 4.1Å; M673-L675 HydrophobicContact CE-CD2 3.71Å; M673-W718 HydrophobicContact CE-CD2 4.41Å; M673-W718 HydrophobicContact CE-CH2 3.85Å; M673-W718 HydrophobicContact CE-CZ2 3.29Å; M673-K759 WeakPolarHBondContact CE-OXT 3.49Å
674V97.4Very high93Very high11 Ų1159.6 Ų59.67%0.06730%0.301CS..EExtended strand (participates in β ladder)trans-75.2124.9171.6-173.50000108.9V636 A654 L656 I685V636-V674 HydrophobicContact CG1-CG2 4.01Å; A654-V674 HydrophobicContact CB-CG1 4.23Å; L656-V674 HydrophobicContact CD1-CB 4.26Å; L656-V674 HydrophobicContact CD1-CG2 3.73Å; V674-I685 HydrophobicContact CG1-CG1 4.12Å; V674-I685 HydrophobicContact CG1-CG2 4.15Å
675L97.8Very high93.2Very high3 Ų352.3 Ų52.32%0.01627%0.27CS..  trans-83.5124.9176.3-64.8-176.1000110.4V604 V655 L657 M673 L686 W718 I758 K759V604-L675 HydrophobicContact CG1-CD1 3.93Å; V655-L675 HydrophobicContact CB-CB 4.48Å; V655-L675 HydrophobicContact CG1-CD1 3.97Å; V655-L675 PolarHBondContact O-N 2.77Å; L657-L675 HydrophobicContact CB-CD2 4.31Å; M673-L675 HydrophobicContact CE-CD2 3.71Å; L675-L686 HydrophobicContact CB-CD1 3.97Å; L675-L686 PolarHBondContact O-N 2.96Å; L675-W718 HydrophobicContact CD2-CH2 3.71Å; L675-W718 HydrophobicContact CD2-CZ2 4.34Å; L675-W718 HydrophobicContact CD2-CZ3 4.45Å; L675-I758 HydrophobicContact CB-CG2 4.2Å; L675-K759 WeakPolarHBondContact CA-O 3.29Å
676C97.7Very high93.7Very high9 Ų949 Ų496%0.06125%0.253CS..EExtended strand (participates in β ladder)trans-128144-176.5-65.30000111.8V683 E684 I758 K759C676-V683 HydrophobicContact CB-CG1 3.66Å; C676-E684 CarbonylContact C-O 3.46Å; C676-E684 WeakPolarHBondContact CA-O 3.1Å; C676-E684 VanDerWaalsContact CB-O 3.31Å; C676-E684 WeakPolarHBondContact CB-O 3.44Å; C676-I758 CarbonylContact O-C 3.59Å; C676-I758 VanDerWaalsContact O-CA 3.32Å; C676-I758 WeakPolarHBondContact O-CA 3.33Å; C676-K759 PolarHBondContact N-O 3.42Å; C676-K759 PolarHBondContact O-N 2.92Å
677A97Very high94.1Very high0 Ų044 Ų440%024%0.238CC..EExtended strand (participates in β ladder)trans-75.5132.816200000108.7V683 E684 L686 V727 A750 L753 V756A677-V683 WeakPolarHBondContact O-CA 3.24Å; A677-E684 PolarHBondContact N-O 3.4Å; A677-E684 PolarHBondContact O-N 2.82Å; A677-L686 HydrophobicContact CB-CD2 4.18Å; A677-V727 HydrophobicContact CB-CG2 3.65Å; A677-A750 HydrophobicContact CB-CB 3.94Å; A677-L753 HydrophobicContact CB-CB 4.19Å; A677-L753 HydrophobicContact CB-CD1 4Å; A677-L753 WeakPolarHBondContact O-CD1 3.39Å; A677-V756 HydrophobicContact CB-CG2 3.8Å
678S93.7Very high94.5Very high16 Ų1641.9 Ų41.911%0.11221%0.213CC..EExtended strand (participates in β ladder)trans-144.4133.1-172.4166.60000113.8P757S678-P757 PolarHBondContact N-O 3.08Å; S678-P757 VanDerWaalsContact N-O 3.13Å; S678-P757 WeakPolarHBondContact O-CD 3.38Å; S678-P757 WeakPolarHBondContact O-CG 3.42Å
679T90.9Very high94.6Very high48 Ų4840.6 Ų40.629%0.29421%0.207SC..  trans-106.3-169.4159.571.30000110.1E681 A682 L753 V756T679-E681 VanDerWaalsContact C-N 3.29Å; T679-E681 PolarHBondContact OG1-N 3.38Å; T679-E681 VanDerWaalsContact OG1-N 3.11Å; T679-E681 PolarHBondContact OG1-OE2 2.92Å; T679-E681 VanDerWaalsContact OG1-OE2 3.13Å; T679-A682 PolarHBondContact N-O 2.88Å; T679-A682 PolarHBondContact OG1-N 3.46Å; T679-L753 HydrophobicContact CG2-CD2 4.19Å; T679-V756 HydrophobicContact CG2-CB 4.37Å; T679-V756 HydrophobicContact CG2-CG1 3.41Å; T679-V756 VanDerWaalsContact CG2-CG1 3.41Å
680K81.4Confident94.5Very high188 Ų18841.7 Ų41.782%0.81723%0.23SC*.SBendtrans-73.9-24.7170.8-71.1-177.7177.5-174.90111.8
681E85.8Confident94.2Very high151 Ų15144.3 Ų44.371%0.70626%0.258SS*.SBendtrans-106.3-25.3-170.9-55.774.9-162.100113.5T679T679-E681 VanDerWaalsContact C-N 3.29Å; T679-E681 PolarHBondContact OG1-N 3.38Å; T679-E681 VanDerWaalsContact OG1-N 3.11Å; T679-E681 PolarHBondContact OG1-OE2 2.92Å; T679-E681 VanDerWaalsContact OG1-OE2 3.13Å
682A90.5Very high94.1Very high36 Ų3642.1 Ų42.130%0.29825%0.25SS..  trans-140.9149.1-173.100000112.5T679 L753T679-A682 PolarHBondContact N-O 2.88Å; T679-A682 PolarHBondContact OG1-N 3.46Å; A682-L753 HydrophobicContact CB-CD1 4.5Å; A682-L753 HydrophobicContact CB-CD2 4.18Å
683V94.4Very high94.1Very high20 Ų2045.3 Ų45.312%0.12127%0.269CS..EExtended strand (participates in β ladder)trans-138.7133.3176.3-177.10000109.3L640 F643 C676 A677L640-V683 HydrophobicContact CD2-CB 4.43Å; L640-V683 HydrophobicContact CD2-CG1 3.57Å; F643-V683 HydrophobicContact CB-CB 3.89Å; F643-V683 HydrophobicContact CB-CG2 4.36Å; F643-V683 HydrophobicContact CD1-CB 4.1Å; F643-V683 HydrophobicContact CD1-CG2 3.72Å; F643-V683 HydrophobicContact CD2-CB 4.17Å; F643-V683 HydrophobicContact CD2-CG2 3.81Å; F643-V683 HydrophobicContact CE1-CG2 3.87Å; F643-V683 HydrophobicContact CE2-CG2 3.96Å; F643-V683 HydrophobicContact CG-CB 3.79Å; F643-V683 HydrophobicContact CG-CG2 3.69Å; F643-V683 HydrophobicContact CZ-CG2 3.98Å; C676-V683 HydrophobicContact CB-CG1 3.66Å; A677-V683 WeakPolarHBondContact O-CA 3.24Å
684E94.7Very high94Very high36 Ų3645.3 Ų45.317%0.16827%0.272CS..EExtended strand (participates in β ladder)trans-131.9138.9177.4-60.1-175.4145.600111.1C676 A677 P751 S752 L753C676-E684 CarbonylContact C-O 3.46Å; C676-E684 WeakPolarHBondContact CA-O 3.1Å; C676-E684 VanDerWaalsContact CB-O 3.31Å; C676-E684 WeakPolarHBondContact CB-O 3.44Å; A677-E684 PolarHBondContact N-O 3.4Å; A677-E684 PolarHBondContact O-N 2.82Å; E684-P751 HydrophobicContact CB-CG 4.38Å; E684-P751 WeakPolarHBondContact OE2-CD 3.46Å; E684-S752 VanDerWaalsContact CD-OG 3.28Å; E684-S752 WeakPolarHBondContact OE1-CB 3.23Å; E684-S752 PolarHBondContact OE1-N 2.84Å; E684-S752 PolarHBondContact OE1-OG 2.8Å; E684-S752 PolarHBondContact OE2-N 2.86Å; E684-S752 PolarHBondContact OE2-OG 2.68Å; E684-L753 HydrophobicContact CB-CD1 4.36Å; E684-L753 HydrophobicContact CG-CD1 3.99Å; E684-L753 HydrophobicContact CG-CG 4.05Å; E684-L753 WeakPolarHBondContact OE2-CG 3.21Å; E684-L753 PolarHBondContact OE2-N 3.12Å
685I97Very high94Very high0 Ų046 Ų460%028%0.282CS..EExtended strand (participates in β ladder)trans-72.6134.7173.8-66.7168.2000109I609 L640 I644 M649 A654 V674I609-I685 HydrophobicContact CD1-CD1 4.28Å; L640-I685 HydrophobicContact CD1-CD1 4.09Å; L640-I685 HydrophobicContact CD1-CG1 4.12Å; I644-I685 HydrophobicContact CD1-CD1 3.72Å; I644-I685 HydrophobicContact CD1-CG1 3.62Å; M649-I685 HydrophobicContact CE-CD1 4.12Å; M649-I685 HydrophobicContact SD-CD1 3.61Å; A654-I685 HydrophobicContact CB-CG2 3.63Å; V674-I685 HydrophobicContact CG1-CG1 4.12Å; V674-I685 HydrophobicContact CG1-CG2 4.15Å
686L97.7Very high93.9Very high1 Ų147.2 Ų47.21%0.00529%0.288CS..PPolyproline II helixtrans-67.6132.6174.1-65.2-179000111.3V655 L675 A677 V727 A733 I748 L749 A750 I758V655-L686 HydrophobicContact CB-CB 4.29Å; V655-L686 HydrophobicContact CG2-CB 4.08Å; L675-L686 HydrophobicContact CB-CD1 3.97Å; L675-L686 PolarHBondContact O-N 2.96Å; A677-L686 HydrophobicContact CB-CD2 4.18Å; L686-V727 HydrophobicContact CD2-CG2 4.39Å; L686-A733 HydrophobicContact CD1-CB 4Å; L686-A733 HydrophobicContact CD2-CB 4.17Å; L686-I748 HydrophobicContact CB-CG2 3.84Å; L686-I748 HydrophobicContact CD1-CG2 4.23Å; L686-I748 HydrophobicContact CG-CG2 4.49Å; L686-L749 CarbonylContact C-O 3.57Å; L686-L749 WeakPolarHBondContact CA-O 3.5Å; L686-A750 HydrophobicContact CD2-CB 4.02Å; L686-I758 HydrophobicContact CD1-CD1 4Å; L686-I758 HydrophobicContact CD1-CG1 4.21Å; L686-I758 HydrophobicContact CD1-CG2 3.77Å
687E96.5Very high93.8Very high85 Ų8550.2 Ų50.240%0.39731%0.308SS..BIsolated β-bridgetrans-97.5123.9-176.3-65.6-171.2166.800111L749 P751E687-L749 PolarHBondContact N-O 2.88Å; E687-L749 PolarHBondContact O-N 2.93Å; E687-P751 HydrophobicContact CG-CG 4.14Å
688P97.2Very high93.7Very high19 Ų1950.6 Ų50.612%0.12331%0.31CS..PPolyproline II helixtrans-73.2155.6170.333.5-36.1000110.9V606 P653 I748V606-P688 HydrophobicContact CB-CB 4.43Å; V606-P688 HydrophobicContact CG1-CB 3.91Å; V606-P688 HydrophobicContact CG1-CG 3.81Å; V606-P688 HydrophobicContact CG2-CB 3.67Å; V606-P688 HydrophobicContact CG2-CG 4.48Å; P653-P688 HydrophobicContact CB-CG 3.66Å; P688-I748 HydrophobicContact CB-CD1 4.14Å
689P95.3Very high93.8Very high19 Ų1953 Ų5312%0.12332%0.321CS..PPolyproline II helixtrans-62.8151.9179.227.6-36.1000111.3G691 S692 V742 K745P689-G691 PolarHBondContact O-N 2.83Å; P689-S692 WeakPolarHBondContact CD-OG 3.28Å; P689-S692 WeakPolarHBondContact CG-OG 2.92Å; P689-S692 VanDerWaalsContact O-CB 3.29Å; P689-S692 WeakPolarHBondContact O-CB 3.3Å; P689-S692 PolarHBondContact O-N 2.68Å; P689-S692 VanDerWaalsContact O-N 3.12Å; P689-S692 PolarHBondContact O-OG 2.79Å; P689-V742 HydrophobicContact CG-CB 3.98Å; P689-V742 HydrophobicContact CG-CG2 4.06Å; P689-K745 HydrophobicContact CB-CB 4.47Å; P689-K745 WeakPolarHBondContact CB-O 3.5Å; P689-K745 HydrophobicContact CG-CB 3.85Å
690A91.6Very high93.9Very high101 Ų10150.9 Ų50.984%0.83531%0.308SS*.THydrogen-bonded Turntrans-54.4138.3178.800000111.8S692A690-S692 VanDerWaalsContact C-N 3.32Å
691G90.8Very high94.2Very high63 Ų6344.2 Ų44.265%0.64928%0.283SS*.THydrogen-bonded Turntrans82.92-176.300000115P689 K745P689-G691 PolarHBondContact O-N 2.83Å; G691-K745 PolarHBondContact O-NZ 3Å
692S95.8Very high94.2Very high25 Ų2539.7 Ų39.718%0.17528%0.277CS..  trans-65.3143.8167-57.10000111.1P689 A690 D696P689-S692 WeakPolarHBondContact CD-OG 3.28Å; P689-S692 WeakPolarHBondContact CG-OG 2.92Å; P689-S692 VanDerWaalsContact O-CB 3.29Å; P689-S692 WeakPolarHBondContact O-CB 3.3Å; P689-S692 PolarHBondContact O-N 2.68Å; P689-S692 VanDerWaalsContact O-N 3.12Å; P689-S692 PolarHBondContact O-OG 2.79Å; A690-S692 VanDerWaalsContact C-N 3.32Å; S692-D696 WeakPolarHBondContact CA-OD2 3.5Å
693V95.2Very high94Very high75 Ų7540.9 Ų40.946%0.45528%0.275SS..  trans-121.8154.4179-62.60000110.1G695 D696V693-G695 PolarHBondContact O-N 3.13Å; V693-D696 WeakPolarHBondContact CG2-OD1 3.25Å; V693-D696 PolarHBondContact N-OD2 2.82Å; V693-D696 PolarHBondContact O-N 2.86Å; V693-D696 VanDerWaalsContact O-N 3.13Å
694P96.8Very high93.3Very high46 Ų4647.3 Ų47.330%0.29930%0.303SS..THydrogen-bonded Turntrans-50126.4174.4-31.338.7000112.6V606 L608 D627 G629V606-P694 WeakPolarHBondContact O-CA 3.44Å; L608-P694 HydrophobicContact CB-CG 3.76Å; D627-P694 HydrophobicContact CB-CB 4.26Å; D627-P694 HydrophobicContact CB-CG 4.42Å; G629-P694 WeakPolarHBondContact CA-O 3.13Å
695G95.5Very high92.7Very high25 Ų2547.7 Ų47.726%0.25832%0.317SS..THydrogen-bonded Turntrans98.5-9.4-179.900000115.5V606 V628 V693V606-G695 PolarHBondContact O-N 2.79Å; V628-G695 WeakPolarHBondContact O-CA 3.3Å; V693-G695 PolarHBondContact O-N 3.13Å
696D96.6Very high92Very high28 Ų2855.2 Ų55.215%0.1536%0.355CS..PPolyproline II helixtrans-58.1129.8174.2-76.8-27.1000110.7R605 V606 S692 V693 V742 K745R605-D696 CarbonylContact C-O 3.56Å; R605-D696 VanDerWaalsContact CA-O 3.28Å; R605-D696 WeakPolarHBondContact CA-O 3.2Å; V606-D696 HydrophobicContact CB-CB 4.15Å; V606-D696 HydrophobicContact CG2-CB 4.04Å; V606-D696 PolarHBondContact N-O 3.08Å; S692-D696 WeakPolarHBondContact CA-OD2 3.5Å; V693-D696 WeakPolarHBondContact CG2-OD1 3.25Å; V693-D696 PolarHBondContact N-OD2 2.82Å; V693-D696 PolarHBondContact O-N 2.86Å; V693-D696 VanDerWaalsContact O-N 3.13Å; D696-V742 HydrophobicContact CB-CG1 3.73Å; D696-K745 IonicContact OD1-NZ 3.49Å; D696-K745 PolarHBondContact OD1-NZ 3.18Å; D696-K745 WeakPolarHBondContact OD2-CE 3.07Å; D696-K745 IonicContact OD2-NZ 2.65Å; D696-K745 PolarHBondContact OD2-NZ 3.22Å
697P95.1Very high91.7Very high73 Ų7357.6 Ų57.647%0.47437%0.371SS..BIsolated β-bridgetrans-74.8133.917929.7-33.5000111
698V96.2Very high91.4Very high7 Ų756 Ų564%0.04236%0.363CS..EExtended strand (participates in β ladder)trans-90.4121169.2-179.90000108.3V604 V606 V655 L740 V742 I748V604-V698 HydrophobicContact CB-CB 4.01Å; V604-V698 HydrophobicContact CG1-CB 3.73Å; V604-V698 HydrophobicContact CG1-CG1 4.16Å; V604-V698 HydrophobicContact CG1-CG2 4.07Å; V604-V698 PolarHBondContact O-N 2.71Å; V606-V698 HydrophobicContact CG2-CG2 4.22Å; V655-V698 HydrophobicContact CG1-CG2 4Å; V698-L740 HydrophobicContact CG1-CB 3.91Å; V698-L740 HydrophobicContact CG1-CD1 4.47Å; V698-V742 HydrophobicContact CG2-CG2 4.22Å; V698-I748 HydrophobicContact CG1-CD1 4.39Å; V698-I748 HydrophobicContact CG1-CG1 3.87Å; V698-I748 HydrophobicContact CG2-CD1 4.1Å; V698-I748 HydrophobicContact CG2-CG1 4.46Å
699I94.1Very high91Very high68 Ų6865.1 Ų65.135%0.34940%0.401SS..EExtended strand (participates in β ladder)trans-113.7154.7-17761.5165.9000110.9L740 Q741 A743I699-L740 WeakPolarHBondContact O-CA 3.35Å; I699-Q741 HydrophobicContact CD1-CG 4.27Å; I699-Q741 HydrophobicContact CG1-CG 3.82Å; I699-Q741 VanDerWaalsContact CG1-O 3.31Å; I699-Q741 WeakPolarHBondContact CG1-O 3.36Å; I699-Q741 PolarHBondContact N-O 3.36Å; I699-Q741 PolarHBondContact O-N 2.8Å; I699-A743 HydrophobicContact CD1-CB 3.87Å; I699-A743 HydrophobicContact CG1-CB 4.48Å
700C93.5Very high90.9Very high3 Ų369.3 Ų69.32%0.0242%0.419CS..  trans-116113.9169-172.10000108.4F599 G702 Y703 L740F599-C700 HydrophobicContact CB-CB 4.43Å; F599-C700 HydrophobicContact CD1-CB 3.55Å; F599-C700 HydrophobicContact CE1-CB 3.95Å; F599-C700 HydrophobicContact CG-CB 4.02Å; C700-G702 PolarHBondContact O-N 2.91Å; C700-Y703 HydrophobicContact CB-CD2 4.15Å; C700-Y703 PolarHBondContact O-N 2.84Å; C700-L740 HydrophobicContact CB-CD2 3.6Å
701P88.8Confident90.9Very high47 Ų4764.9 Ų64.931%0.30538%0.381SS..THydrogen-bonded Turntrans-50133.6176.5-30.636.9000113Y703 T738 P739 Q741P701-Y703 VanDerWaalsContact C-N 3.29Å; P701-T738 HydrophobicContact CB-CG2 4.02Å; P701-T738 HydrophobicContact CG-CG2 4.23Å; P701-P739 WeakPolarHBondContact CD-O 3.37Å; P701-Q741 HydrophobicContact CG-CG 4.33Å; P701-Q741 VanDerWaalsContact CG-NE2 3.31Å
702G84.8Confident90.7Very high56 Ų5665.1 Ų65.158%0.57737%0.368SS*.THydrogen-bonded Turntrans83.40.9-17600000114.8C700 E704C700-G702 PolarHBondContact O-N 2.91Å; G702-E704 PolarHBondContact N-OE1 2.83Å
703Y87.2Confident90Very high61 Ų6167.6 Ų67.624%0.23938%0.383CS..  trans-125.958.1170.7-60.9-88000109.5F599 S600 C700 P701 F735 K736F599-Y703 HydrophobicContact CB-CG 4.3Å; S600-Y703 WeakPolarHBondContact CB-O 3.49Å; C700-Y703 HydrophobicContact CB-CD2 4.15Å; C700-Y703 PolarHBondContact O-N 2.84Å; P701-Y703 VanDerWaalsContact C-N 3.29Å; Y703-F735 AromaticContact CD1-CE1 4Å; Y703-F735 HydrophobicContact CD1-CE1 4Å; Y703-F735 AromaticContact CD2-CD1 3.94Å; Y703-F735 HydrophobicContact CD2-CD1 3.94Å; Y703-F735 HydrophobicContact CD2-CE1 4.15Å; Y703-F735 HydrophobicContact CE1-CD1 4.35Å; Y703-F735 AromaticContact CE1-CE1 3.62Å; Y703-F735 HydrophobicContact CE1-CE1 3.62Å; Y703-F735 AromaticContact CE2-CD1 3.68Å; Y703-F735 HydrophobicContact CE2-CD1 3.68Å; Y703-F735 AromaticContact CE2-CE1 3.79Å; Y703-F735 HydrophobicContact CE2-CE1 3.79Å; Y703-F735 HydrophobicContact CG-CD1 4.38Å; Y703-F735 HydrophobicContact CG-CE1 4.25Å; Y703-F735 AromaticContact CZ-CD1 3.92Å; Y703-F735 AromaticContact CZ-CE1 3.52Å; Y703-K736 WeakPolarHBondContact OH-CD 3.38Å
704E79.7Confident89.2Confident156 Ų15671 Ų7173%0.72939%0.392SS*.  trans-78.6123.6176.5-57.680.8-162.400111.3G702G702-E704 PolarHBondContact N-OE1 2.83Å
705G81Confident88.7Confident44 Ų4474.1 Ų74.145%0.45440%0.401SS..  trans-171.3173.1178.400000111.9
706I83.4Confident88.3Confident157 Ų15778.8 Ų78.881%0.80541%0.414SS*.PPolyproline II helixtrans-95.1122.9178-59.1172000107.8S600S600-I706 CarbonylContact O-C 3.56Å
707P90.4Very high88Confident51 Ų5177.7 Ų77.733%0.33141%0.409SS..PPolyproline II helixtrans-55.7143.6176.4-27.235000112.6S600 D603S600-P707 WeakPolarHBondContact O-CA 3.48Å; D603-P707 HydrophobicContact CB-CB 3.72Å; D603-P707 HydrophobicContact CB-CG 4.41Å
708E90.1Very high87.8Confident51 Ų5175.7 Ų75.724%0.23839%0.392CS..PPolyproline II helixtrans-66.4140.2172.3-69.3-175.5-158.500109.8R601 N659 Q710 L711R601-E708 IonicContact CZ-OE1 3.1Å; R601-E708 IonicContact NE-OE1 2.67Å; R601-E708 PolarHBondContact NE-OE1 3.36Å; R601-E708 IonicContact NH2-OE1 2.78Å; R601-E708 PolarHBondContact NH2-OE1 3.29Å; R601-E708 IonicContact NH2-OE2 3.78Å; R601-E708 PolarHBondContact O-N 2.89Å; R601-E708 VanDerWaalsContact O-N 3.13Å; N659-E708 VanDerWaalsContact CB-O 3.25Å; N659-E708 WeakPolarHBondContact CB-O 3.28Å; N659-E708 PolarHBondContact ND2-O 2.68Å; E708-Q710 PolarHBondContact O-N 2.85Å; E708-L711 HydrophobicContact CB-CD2 4.18Å; E708-L711 HydrophobicContact CG-CD2 4.49Å
709K89.7Confident87.6Confident211 Ų21180.5 Ų80.592%0.91741%0.413SS*.SBendtrans-55.7-38.7177-72.8-172.8176.8-176.60112.8
710Q93.2Very high87.3Confident107 Ų10778.9 Ų78.950%0.541%0.41SS..SBendtrans-155.1127172.9-178.617371.300108N659 P662 E708N659-Q710 CarbonylContact O-C 3.57Å; N659-Q710 WeakPolarHBondContact O-CA 3.37Å; P662-Q710 VanDerWaalsContact CD-NE2 3.32Å; E708-Q710 PolarHBondContact O-N 2.85Å
711L91Very high87.2Confident8 Ų878.8 Ų78.84%0.04241%0.409CS..  trans-64.8134.4177.9-65.2172.9000110.2L602 N659 L660 E708 P713 V717L602-L711 HydrophobicContact CD2-CD1 3.59Å; L602-L711 HydrophobicContact CD2-CD2 4.4Å; N659-L711 PolarHBondContact O-N 2.87Å; L660-L711 HydrophobicContact CD2-CD1 4.07Å; E708-L711 HydrophobicContact CB-CD2 4.18Å; E708-L711 HydrophobicContact CG-CD2 4.49Å; L711-P713 VanDerWaalsContact O-CD 3.26Å; L711-P713 WeakPolarHBondContact O-CD 3.29Å; L711-V717 HydrophobicContact CD2-CB 4.01Å; L711-V717 HydrophobicContact CD2-CG1 4.02Å; L711-V717 HydrophobicContact CD2-CG2 4.19Å
712N86.1Confident87.4Confident69 Ų6978.6 Ų78.637%0.36940%0.404SS..  trans-76.3115.6173.2-176.2-18.5000110.1K714 K715N712-K714 PolarHBondContact O-N 3.32Å; N712-K714 WeakPolarHBondContact OD1-CB 3.34Å; N712-K714 PolarHBondContact OD1-N 2.83Å; N712-K715 HydrophobicContact CB-CB 4.4Å; N712-K715 HydrophobicContact CB-CD 4.32Å; N712-K715 HydrophobicContact CB-CG 4.11Å; N712-K715 PolarHBondContact O-N 2.88Å
713P81.8Confident87.7Confident77 Ų7779.6 Ų79.650%0.540%0.401SS..G310 helixtrans-58.4-25.5-179.1-24.334.9000113.5K661 L711 K715 K716K661-P713 HydrophobicContact CB-CG 4.08Å; K661-P713 HydrophobicContact CD-CG 3.91Å; L711-P713 VanDerWaalsContact O-CD 3.26Å; L711-P713 WeakPolarHBondContact O-CD 3.29Å; P713-K715 VanDerWaalsContact C-N 3.29Å; P713-K715 PolarHBondContact O-N 3.29Å; P713-K716 PolarHBondContact O-N 2.72Å
714K79.4Confident88Confident145 Ų14578.3 Ų78.363%0.6340%0.401SS*.G310 helixtrans-71.1-23.9177.3-61.6-174.2174.7-177.60113.1R560 N712 K716R560-K714 VanDerWaalsContact NH1-NZ 3.15Å; N712-K714 PolarHBondContact O-N 3.32Å; N712-K714 WeakPolarHBondContact OD1-CB 3.34Å; N712-K714 PolarHBondContact OD1-N 2.83Å; K714-K716 VanDerWaalsContact C-N 3.34Å
715K85.2Confident88.7Confident113 Ų11371 Ų7149%0.49137%0.367SS..G310 helixtrans-84.1-9.1178.3-69.2-169.9176.4-173.70113N712 P713 V717N712-K715 HydrophobicContact CB-CB 4.4Å; N712-K715 HydrophobicContact CB-CD 4.32Å; N712-K715 HydrophobicContact CB-CG 4.11Å; N712-K715 PolarHBondContact O-N 2.88Å; P713-K715 VanDerWaalsContact C-N 3.29Å; P713-K715 PolarHBondContact O-N 3.29Å; K715-V717 HydrophobicContact CB-CG2 3.77Å; K715-V717 PolarHBondContact O-N 3.02Å; K715-V717 VanDerWaalsContact O-N 3.15Å
716K87Confident89.5Confident123 Ų12375.2 Ų75.254%0.53537%0.369SS..  trans47.441.8177.8-64.1-168.4175.3-170.30114.2P713 K714 E719 A720P713-K716 PolarHBondContact O-N 2.72Å; K714-K716 VanDerWaalsContact C-N 3.34Å; K716-E719 WeakPolarHBondContact CA-OE2 3.46Å; K716-E719 HydrophobicContact CB-CB 4.27Å; K716-E719 PolarHBondContact O-N 2.72Å; K716-A720 WeakPolarHBondContact O-CB 3.25Å; K716-A720 PolarHBondContact O-N 3.31Å
717V89.8Confident90.1Very high5 Ų567.8 Ų67.83%0.0333%0.331CS..Hα-helixtrans-66.4-45.7-171.7-173.70000110.9R601 L602 L711 K715 A720 V721R601-V717 HydrophobicContact CB-CG1 4.19Å; R601-V717 VanDerWaalsContact CZ-CG2 3.49Å; L602-V717 HydrophobicContact CD2-CG1 4.36Å; L711-V717 HydrophobicContact CD2-CB 4.01Å; L711-V717 HydrophobicContact CD2-CG1 4.02Å; L711-V717 HydrophobicContact CD2-CG2 4.19Å; K715-V717 HydrophobicContact CB-CG2 3.77Å; K715-V717 PolarHBondContact O-N 3.02Å; K715-V717 VanDerWaalsContact O-N 3.15Å; V717-A720 PolarHBondContact O-N 2.97Å; V717-V721 WeakPolarHBondContact O-CG2 3.37Å; V717-V721 PolarHBondContact O-N 3.41Å
718W92.8Very high90.3Very high31 Ų3167 Ų6712%0.11732%0.324CS..Hα-helixtrans-62.6-45.4177.2172.7-117.4000111.1L602 L657 L660 M673 L675 A720 V721 Q722 L725 K759L602-W718 HydrophobicContact CD1-CE3 3.84Å; L602-W718 HydrophobicContact CD1-CZ3 3.87Å; L602-W718 HydrophobicContact CD2-CE3 4.41Å; L657-W718 HydrophobicContact CD2-CD2 3.8Å; L657-W718 HydrophobicContact CD2-CE3 3.46Å; L657-W718 VanDerWaalsContact CD2-CE3 3.46Å; L657-W718 HydrophobicContact CD2-CG 4.43Å; L657-W718 HydrophobicContact CD2-CH2 4.27Å; L657-W718 HydrophobicContact CD2-CZ3 3.72Å; L660-W718 HydrophobicContact CD2-CB 4.05Å; L660-W718 HydrophobicContact CD2-CG 4.29Å; M673-W718 HydrophobicContact CE-CD2 4.41Å; M673-W718 HydrophobicContact CE-CH2 3.85Å; M673-W718 HydrophobicContact CE-CZ2 3.29Å; L675-W718 HydrophobicContact CD2-CH2 3.71Å; L675-W718 HydrophobicContact CD2-CZ2 4.34Å; L675-W718 HydrophobicContact CD2-CZ3 4.45Å; W718-A720 PolarHBondContact O-N 3.5Å; W718-V721 PolarHBondContact O-N 3.25Å; W718-V721 VanDerWaalsContact O-N 3.11Å; W718-Q722 HydrophobicContact CD2-CB 4.07Å; W718-Q722 HydrophobicContact CE3-CB 4.35Å; W718-Q722 HydrophobicContact CH2-CB 4.11Å; W718-Q722 HydrophobicContact CH2-CG 3.99Å; W718-Q722 HydrophobicContact CZ2-CB 3.79Å; W718-Q722 HydrophobicContact CZ2-CG 3.47Å; W718-Q722 VanDerWaalsContact CZ2-CG 3.47Å; W718-Q722 HydrophobicContact CZ3-CB 4.38Å; W718-Q722 WeakPolarHBondContact O-CB 3.01Å; W718-Q722 PolarHBondContact O-N 3.22Å; W718-L725 HydrophobicContact CH2-CD1 3.76Å; W718-L725 HydrophobicContact CZ3-CD1 3.56Å; W718-K759 WeakPolarHBondContact CZ2-OXT 3.47Å
719E90.6Very high90.4Very high107 Ų10768.1 Ų68.150%0.534%0.338SS..Hα-helixtrans-66-25.4179.8-60.288.5154.900112.8K716 P723K716-E719 WeakPolarHBondContact CA-OE2 3.46Å; K716-E719 HydrophobicContact CB-CB 4.27Å; K716-E719 PolarHBondContact O-N 2.72Å; E719-P723 VanDerWaalsContact O-CD 3.25Å; E719-P723 WeakPolarHBondContact O-CD 3.28Å
720A88.4Confident90.5Very high34 Ų3462.9 Ų62.928%0.28132%0.32SS..Hα-helixtrans-75.3-46.4170.300000111.2L597 K716 V717 W718 P723L597-A720 HydrophobicContact CD2-CB 3.72Å; L597-A720 WeakPolarHBondContact CD2-O 3.25Å; K716-A720 WeakPolarHBondContact O-CB 3.25Å; K716-A720 PolarHBondContact O-N 3.31Å; V717-A720 PolarHBondContact O-N 2.97Å; W718-A720 PolarHBondContact O-N 3.5Å; A720-P723 WeakPolarHBondContact O-CD 3.21Å
721V90.8Very high90.5Very high1 Ų157.8 Ų57.81%0.00630%0.296CS..Hα-helixtrans-74.8-40.8-174.3171.20000112.9F599 L602 V717 W718 S724 L725 F735F599-V721 HydrophobicContact CD2-CG1 4.24Å; L602-V721 HydrophobicContact CD1-CB 4.27Å; L602-V721 HydrophobicContact CD1-CG1 3.61Å; L602-V721 HydrophobicContact CG-CG1 4.45Å; V717-V721 WeakPolarHBondContact O-CG2 3.37Å; V717-V721 PolarHBondContact O-N 3.41Å; W718-V721 PolarHBondContact O-N 3.25Å; W718-V721 VanDerWaalsContact O-N 3.11Å; V721-S724 WeakPolarHBondContact O-CB 3.45Å; V721-S724 PolarHBondContact O-N 2.77Å; V721-L725 HydrophobicContact CG1-CD1 4.13Å; V721-L725 HydrophobicContact CG1-CG 4.35Å; V721-F735 HydrophobicContact CB-CE2 4.37Å; V721-F735 HydrophobicContact CG1-CD2 4.03Å; V721-F735 HydrophobicContact CG1-CE2 3.6Å; V721-F735 HydrophobicContact CG1-CZ 4.3Å
722Q94Very high90.8Very high43 Ų4360.7 Ų60.720%0.20131%0.306CS..G310 helixtrans-55.1-42.9-171.8-175.3-77.2-3900114.5W718 S724 L725 I758W718-Q722 HydrophobicContact CD2-CB 4.07Å; W718-Q722 HydrophobicContact CE3-CB 4.35Å; W718-Q722 HydrophobicContact CH2-CB 4.11Å; W718-Q722 HydrophobicContact CH2-CG 3.99Å; W718-Q722 HydrophobicContact CZ2-CB 3.79Å; W718-Q722 HydrophobicContact CZ2-CG 3.47Å; W718-Q722 VanDerWaalsContact CZ2-CG 3.47Å; W718-Q722 HydrophobicContact CZ3-CB 4.38Å; W718-Q722 WeakPolarHBondContact O-CB 3.01Å; W718-Q722 PolarHBondContact O-N 3.22Å; Q722-S724 PolarHBondContact O-N 2.84Å; Q722-L725 PolarHBondContact O-N 3.04Å; Q722-I758 PolarHBondContact NE2-O 2.81Å
723P91Very high91.3Very high78 Ų7857.4 Ų57.451%0.50629%0.289SS..G310 helixtrans-59.2-20177.6-27.235.8000114.8E719 A720E719-P723 VanDerWaalsContact O-CD 3.25Å; E719-P723 WeakPolarHBondContact O-CD 3.28Å; A720-P723 WeakPolarHBondContact O-CD 3.21Å
724S92.4Very high92Very high34 Ų3454 Ų5424%0.23827%0.267CS..G310 helixtrans-97.1-0.7178-56.20000113.7V721 Q722 F735 K736V721-S724 WeakPolarHBondContact O-CB 3.45Å; V721-S724 PolarHBondContact O-N 2.77Å; Q722-S724 PolarHBondContact O-N 2.84Å; S724-F735 WeakPolarHBondContact O-CA 3.49Å; S724-K736 PolarHBondContact O-N 3.41Å
725L95.4Very high92.7Very high2 Ų247.1 Ų47.11%0.0124%0.237CC..EExtended strand (participates in β ladder)trans-91.9115.4173.8-72.1170.2000110.1F599 W718 V721 Q722 C734 F735 L740 I758F599-L725 HydrophobicContact CD2-CD2 4.14Å; F599-L725 HydrophobicContact CE2-CD2 3.9Å; W718-L725 HydrophobicContact CH2-CD1 3.76Å; W718-L725 HydrophobicContact CZ3-CD1 3.56Å; V721-L725 HydrophobicContact CG1-CD1 4.13Å; V721-L725 HydrophobicContact CG1-CG 4.35Å; Q722-L725 PolarHBondContact O-N 3.04Å; L725-C734 WeakPolarHBondContact CA-O 3.22Å; L725-F735 HydrophobicContact CD2-CB 3.76Å; L725-F735 HydrophobicContact CD2-CD2 3.95Å; L725-F735 HydrophobicContact CD2-CG 4.29Å; L725-F735 HydrophobicContact CG-CD2 4.12Å; L725-L740 HydrophobicContact CD2-CD1 4.06Å; L725-I758 HydrophobicContact CB-CB 4Å; L725-I758 HydrophobicContact CB-CD1 4.47Å; L725-I758 PolarHBondContact O-N 3.27Å
726R96.6Very high92.8Very high132 Ų13245.7 Ų45.750%0.49823%0.231SC..EExtended strand (participates in β ladder)trans-144.7152.6-176.6-70.5-174.6164.3-111.7-0.2111.2C734 E755 V756R726-C734 PolarHBondContact N-O 2.92Å; R726-C734 WeakPolarHBondContact O-CA 3.4Å; R726-C734 PolarHBondContact O-N 2.93Å; R726-E755 PolarHBondContact NH1-O 3.37Å; R726-V756 CarbonylContact C-O 3.55Å; R726-V756 VanDerWaalsContact CA-O 3.28Å; R726-V756 WeakPolarHBondContact CA-O 3.42Å
727V96.9Very high92.8Very high2 Ų245.7 Ų45.71%0.01225%0.245CC..EExtended strand (participates in β ladder)trans-81.4133.9163.3-172.90000108.2A677 L686 R732 A750 L753 E755 V756 I758A677-V727 HydrophobicContact CB-CG2 3.65Å; L686-V727 HydrophobicContact CD2-CG2 4.39Å; V727-R732 CarbonylContact C-O 3.4Å; V727-R732 VanDerWaalsContact CA-O 3.29Å; V727-R732 WeakPolarHBondContact CA-O 3.33Å; V727-A750 HydrophobicContact CB-CB 4.41Å; V727-A750 HydrophobicContact CG1-CB 3.77Å; V727-A750 HydrophobicContact CG2-CB 3.74Å; V727-L753 WeakPolarHBondContact CG1-O 3.2Å; V727-E755 CarbonylContact O-C 3.56Å; V727-E755 WeakPolarHBondContact O-CA 3.45Å; V727-E755 PolarHBondContact O-N 2.9Å; V727-V756 HydrophobicContact CB-CG2 3.99Å; V727-V756 HydrophobicContact CG2-CG2 3.83Å; V727-V756 PolarHBondContact N-O 3.4Å; V727-I758 HydrophobicContact CG2-CD1 4.27Å; V727-I758 HydrophobicContact CG2-CG1 3.93Å
728D94.4Very high92.9Very high33 Ų3347.4 Ų47.418%0.17626%0.255CS..  trans-83.2-173.1176.873.94.3000112.9D730 G731 R732 E755D728-D730 PolarHBondContact O-N 2.92Å; D728-D730 WeakPolarHBondContact OD1-CA 3.41Å; D728-D730 PolarHBondContact OD1-N 3.46Å; D728-G731 PolarHBondContact O-N 2.92Å; D728-G731 PolarHBondContact OD1-N 3.44Å; D728-R732 PolarHBondContact N-O 3.4Å; D728-R732 PolarHBondContact OD1-N 2.78Å; D728-R732 IonicContact OD1-NE 3.56Å; D728-R732 IonicContact OD2-CZ 2.77Å; D728-R732 IonicContact OD2-NE 3.45Å; D728-R732 PolarHBondContact OD2-NE 2.88Å; D728-R732 IonicContact OD2-NH2 3.82Å; D728-R732 PolarHBondContact OD2-NH2 2.8Å; D728-E755 PolarHBondContact O-N 3.35Å
729S91.3Very high93Very high76 Ų7647.2 Ų47.253%0.53126%0.258SS..THydrogen-bonded Turntrans-66.8-23.4178.455.30000113.7R754S729-R754 WeakPolarHBondContact O-CD 3.31Å
730D92.1Very high93.3Very high100 Ų10042.3 Ų42.354%0.53524%0.235SC..THydrogen-bonded Turntrans-92.4-9-178.8-61.1-33.2000111.9D728 R732D728-D730 PolarHBondContact O-N 2.92Å; D728-D730 WeakPolarHBondContact OD1-CA 3.41Å; D728-D730 PolarHBondContact OD1-N 3.46Å; D730-R732 IonicContact OD2-CZ 3.29Å; D730-R732 IonicContact OD2-NH1 3.86Å; D730-R732 IonicContact OD2-NH2 3.42Å; D730-R732 PolarHBondContact OD2-NH2 2.81Å
731G93.7Very high93.6Very high1 Ų143.6 Ų43.61%0.0124%0.236CC..SBendtrans95.99.3179.400000113.9D728 L749 A750 R754D728-G731 PolarHBondContact O-N 2.92Å; D728-G731 PolarHBondContact OD1-N 3.44Å; G731-L749 CarbonylContact O-C 3.59Å; G731-L749 WeakPolarHBondContact O-CA 3.39Å; G731-A750 PolarHBondContact O-N 2.99Å; G731-R754 VanDerWaalsContact CA-NE 3.27Å
732R96.8Very high93.9Very high68 Ų6843.6 Ų43.626%0.25724%0.236SC..BIsolated β-bridgetrans-83134.6178.7-59.6172.3-65.4-151.4-7.8110V727 D728 D730 C734 P739 E747 L749V727-R732 CarbonylContact C-O 3.4Å; V727-R732 VanDerWaalsContact CA-O 3.29Å; V727-R732 WeakPolarHBondContact CA-O 3.33Å; D728-R732 PolarHBondContact N-O 3.4Å; D728-R732 PolarHBondContact OD1-N 2.78Å; D728-R732 IonicContact OD1-NE 3.56Å; D728-R732 IonicContact OD2-CZ 2.77Å; D728-R732 IonicContact OD2-NE 3.45Å; D728-R732 PolarHBondContact OD2-NE 2.88Å; D728-R732 IonicContact OD2-NH2 3.82Å; D728-R732 PolarHBondContact OD2-NH2 2.8Å; D730-R732 IonicContact OD2-CZ 3.29Å; D730-R732 IonicContact OD2-NH1 3.86Å; D730-R732 IonicContact OD2-NH2 3.42Å; D730-R732 PolarHBondContact OD2-NH2 2.81Å; R732-C734 PolarHBondContact O-N 3.42Å; R732-C734 PolarHBondContact O-SG 2.94Å; R732-P739 HydrophobicContact CB-CB 4.47Å; R732-E747 WeakPolarHBondContact CD-OE2 3.39Å; R732-E747 WeakPolarHBondContact CG-OE2 3.19Å; R732-L749 HydrophobicContact CB-CD2 4.42Å; R732-L749 HydrophobicContact CG-CD2 3.82Å
733A97.3Very high93.4Very high0 Ų044.3 Ų44.30%025%0.249CC..EExtended strand (participates in β ladder)trans-73.4121.517000000109.2L686 L740 I748 I758L686-A733 HydrophobicContact CD1-CB 4Å; L686-A733 HydrophobicContact CD2-CB 4.17Å; A733-L740 HydrophobicContact CB-CD1 4.36Å; A733-L740 WeakPolarHBondContact O-CB 3.29Å; A733-L740 WeakPolarHBondContact O-CG 3.45Å; A733-L740 PolarHBondContact O-N 2.93Å; A733-I748 HydrophobicContact CB-CB 4.02Å; A733-I748 HydrophobicContact CB-CG2 3.77Å; A733-I748 PolarHBondContact N-O 2.89Å; A733-I758 HydrophobicContact CB-CD1 3.56Å
734C96.2Very high93.1Very high6 Ų644.9 Ų44.94%0.04127%0.269CS..EExtended strand (participates in β ladder)trans-126.8144-171.2-66.90000111.7L725 R726 R732 T738L725-C734 WeakPolarHBondContact CA-O 3.22Å; R726-C734 PolarHBondContact N-O 2.92Å; R726-C734 WeakPolarHBondContact O-CA 3.4Å; R726-C734 PolarHBondContact O-N 2.93Å; R732-C734 PolarHBondContact O-N 3.42Å; R732-C734 PolarHBondContact O-SG 2.94Å; C734-T738 CarbonylContact C-O 3.57Å; C734-T738 WeakPolarHBondContact CA-O 3.28Å
735F94.4Very high93.1Very high0 Ų047 Ų470%027%0.274CS..EExtended strand (participates in β ladder)trans-107.6119.5162.3177.4-112.7000108.9F599 Y703 V721 S724 L725 C737 T738 L740F599-F735 HydrophobicContact CB-CD1 3.61Å; F599-F735 HydrophobicContact CB-CE1 3.65Å; F599-F735 HydrophobicContact CB-CG 4.06Å; F599-F735 HydrophobicContact CB-CZ 4.17Å; F599-F735 HydrophobicContact CD2-CB 4.14Å; F599-F735 HydrophobicContact CD2-CD1 4.44Å; F599-F735 HydrophobicContact CD2-CD2 4.3Å; F599-F735 HydrophobicContact CD2-CG 4.05Å; F599-F735 HydrophobicContact CG-CD1 4.29Å; F599-F735 HydrophobicContact CG-CG 4.35Å; Y703-F735 AromaticContact CD1-CE1 4Å; Y703-F735 HydrophobicContact CD1-CE1 4Å; Y703-F735 AromaticContact CD2-CD1 3.94Å; Y703-F735 HydrophobicContact CD2-CD1 3.94Å; Y703-F735 HydrophobicContact CD2-CE1 4.15Å; Y703-F735 HydrophobicContact CE1-CD1 4.35Å; Y703-F735 AromaticContact CE1-CE1 3.62Å; Y703-F735 HydrophobicContact CE1-CE1 3.62Å; Y703-F735 AromaticContact CE2-CD1 3.68Å; Y703-F735 HydrophobicContact CE2-CD1 3.68Å; Y703-F735 AromaticContact CE2-CE1 3.79Å; Y703-F735 HydrophobicContact CE2-CE1 3.79Å; Y703-F735 HydrophobicContact CG-CD1 4.38Å; Y703-F735 HydrophobicContact CG-CE1 4.25Å; Y703-F735 AromaticContact CZ-CD1 3.92Å; Y703-F735 AromaticContact CZ-CE1 3.52Å; V721-F735 HydrophobicContact CB-CE2 4.37Å; V721-F735 HydrophobicContact CG1-CD2 4.03Å; V721-F735 HydrophobicContact CG1-CE2 3.6Å; V721-F735 HydrophobicContact CG1-CZ 4.3Å; S724-F735 WeakPolarHBondContact O-CA 3.49Å; L725-F735 HydrophobicContact CD2-CB 3.76Å; L725-F735 HydrophobicContact CD2-CD2 3.95Å; L725-F735 HydrophobicContact CD2-CG 4.29Å; L725-F735 HydrophobicContact CG-CD2 4.12Å; F735-C737 VanDerWaalsContact C-N 3.26Å; F735-C737 PolarHBondContact O-N 2.8Å; F735-T738 PolarHBondContact N-O 2.99Å; F735-T738 WeakPolarHBondContact O-CB 3.2Å; F735-T738 PolarHBondContact O-N 2.88Å; F735-L740 HydrophobicContact CB-CD2 4.05Å
736K88Confident93.1Very high84 Ų8448.2 Ų48.237%0.36529%0.286SS..THydrogen-bonded Turntrans48.347.3-176.5-67.1176.2169.1173.70113.1L597 Y703 S724 T738L597-K736 PolarHBondContact O-NZ 3.45Å; Y703-K736 WeakPolarHBondContact OH-CD 3.38Å; S724-K736 PolarHBondContact O-N 3.41Å; K736-T738 PolarHBondContact O-N 2.85Å
737C86.4Confident93.1Very high123 Ų12345.6 Ų45.683%0.83128%0.28SS*.THydrogen-bonded Turntrans67.16.4-178.7-52.80000115.7F735F735-C737 VanDerWaalsContact C-N 3.26Å; F735-C737 PolarHBondContact O-N 2.8Å
738T91.9Very high93.1Very high40 Ų4045.5 Ų45.525%0.24528%0.279CS..EExtended strand (participates in β ladder)trans-97123170.6-560000110.1P701 C734 F735 K736 L740P701-T738 HydrophobicContact CB-CG2 4.02Å; P701-T738 HydrophobicContact CG-CG2 4.23Å; C734-T738 CarbonylContact C-O 3.57Å; C734-T738 WeakPolarHBondContact CA-O 3.28Å; F735-T738 PolarHBondContact N-O 2.99Å; F735-T738 WeakPolarHBondContact O-CB 3.2Å; F735-T738 PolarHBondContact O-N 2.88Å; K736-T738 PolarHBondContact O-N 2.85Å; T738-L740 PolarHBondContact O-N 3.13Å
739P94.5Very high93.3Very high28 Ų2847.7 Ų47.718%0.18229%0.291CS..EExtended strand (participates in β ladder)trans-57.8133.5176.7-25.835.1000112.8P701 R732 E747P701-P739 WeakPolarHBondContact CD-O 3.37Å; R732-P739 HydrophobicContact CB-CB 4.47Å; P739-E747 HydrophobicContact CB-CG 4.12Å
740L96.8Very high93.5Very high3 Ų344.1 Ų44.12%0.01627%0.266CS..PPolyproline II helixtrans-75.6137.9168.1-59.6-176.3000108.7F599 V698 I699 C700 L725 A733 F735 T738 E747 I748F599-L740 HydrophobicContact CD2-CD2 4.33Å; F599-L740 HydrophobicContact CE1-CD2 3.98Å; F599-L740 HydrophobicContact CE2-CD1 4.12Å; F599-L740 HydrophobicContact CE2-CD2 3.76Å; F599-L740 HydrophobicContact CZ-CD1 4.1Å; F599-L740 HydrophobicContact CZ-CD2 3.56Å; F599-L740 HydrophobicContact CZ-CG 4.47Å; V698-L740 HydrophobicContact CG1-CB 3.91Å; V698-L740 HydrophobicContact CG1-CD1 4.47Å; I699-L740 WeakPolarHBondContact O-CA 3.35Å; C700-L740 HydrophobicContact CB-CD2 3.6Å; L725-L740 HydrophobicContact CD2-CD1 4.06Å; A733-L740 HydrophobicContact CB-CD1 4.36Å; A733-L740 WeakPolarHBondContact O-CB 3.29Å; A733-L740 WeakPolarHBondContact O-CG 3.45Å; A733-L740 PolarHBondContact O-N 2.93Å; F735-L740 HydrophobicContact CB-CD2 4.05Å; T738-L740 PolarHBondContact O-N 3.13Å; L740-E747 WeakPolarHBondContact O-CA 3.48Å; L740-I748 HydrophobicContact CB-CB 4.33Å; L740-I748 HydrophobicContact CB-CG1 4.09Å; L740-I748 PolarHBondContact O-N 3.24Å
741Q95.6Very high93.5Very high61 Ų6141.9 Ų41.929%0.28526%0.257SS..EExtended strand (participates in β ladder)trans-141.6153.2-177.162.3177.61.500112.1I699 P701 G746I699-Q741 HydrophobicContact CD1-CG 4.27Å; I699-Q741 HydrophobicContact CG1-CG 3.82Å; I699-Q741 VanDerWaalsContact CG1-O 3.31Å; I699-Q741 WeakPolarHBondContact CG1-O 3.36Å; I699-Q741 PolarHBondContact N-O 3.36Å; I699-Q741 PolarHBondContact O-N 2.8Å; P701-Q741 HydrophobicContact CG-CG 4.33Å; P701-Q741 VanDerWaalsContact CG-NE2 3.31Å; Q741-G746 CarbonylContact C-O 3.52Å; Q741-G746 WeakPolarHBondContact CA-O 2.91Å; Q741-G746 VanDerWaalsContact CB-O 3.23Å; Q741-G746 WeakPolarHBondContact CB-O 3.46Å
742V95.8Very high93.5Very high2 Ų245.6 Ų45.61%0.01228%0.282CS..EExtended strand (participates in β ladder)trans-88.1121.9162.9178.80000107.2V606 P689 D696 V698 G744 K745 G746 I748V606-V742 HydrophobicContact CG2-CG2 3.6Å; P689-V742 HydrophobicContact CG-CB 3.98Å; P689-V742 HydrophobicContact CG-CG2 4.06Å; D696-V742 HydrophobicContact CB-CG1 3.73Å; V698-V742 HydrophobicContact CG2-CG2 4.22Å; V742-G744 PolarHBondContact O-N 2.68Å; V742-G744 VanDerWaalsContact O-N 3.08Å; V742-K745 HydrophobicContact CB-CB 4.08Å; V742-K745 HydrophobicContact CG1-CB 3.97Å; V742-K745 HydrophobicContact CG1-CD 3.81Å; V742-K745 HydrophobicContact CG1-CG 3.98Å; V742-K745 PolarHBondContact O-N 2.97Å; V742-G746 PolarHBondContact N-O 2.83Å; V742-G746 PolarHBondContact O-N 2.96Å; V742-I748 HydrophobicContact CG2-CD1 3.94Å
743A84.7Confident93.4Very high58 Ų5843.3 Ų43.348%0.47928%0.275SS..THydrogen-bonded Turntrans-52.9118-174.500000111.3I699 K745I699-A743 HydrophobicContact CD1-CB 3.87Å; I699-A743 HydrophobicContact CG1-CB 4.48Å; A743-K745 VanDerWaalsContact C-N 3.31Å; A743-K745 PolarHBondContact O-N 3.46Å
744G84.6Confident93.3Very high89 Ų8948 Ų4892%0.91829%0.293SS*.THydrogen-bonded Turntrans77.72.8179.600000116.2V742V742-G744 PolarHBondContact O-N 2.68Å; V742-G744 VanDerWaalsContact O-N 3.08Å
745K92.6Very high93.1Very high79 Ų7954.6 Ų54.634%0.34332%0.323SS..THydrogen-bonded Turntrans-118-30.6-179-57.1-169.4-178.2-174.40114.3P689 G691 D696 V742 A743P689-K745 HydrophobicContact CB-CB 4.47Å; P689-K745 WeakPolarHBondContact CB-O 3.5Å; P689-K745 HydrophobicContact CG-CB 3.85Å; G691-K745 PolarHBondContact O-NZ 3Å; D696-K745 IonicContact OD1-NZ 3.49Å; D696-K745 PolarHBondContact OD1-NZ 3.18Å; D696-K745 WeakPolarHBondContact OD2-CE 3.07Å; D696-K745 IonicContact OD2-NZ 2.65Å; D696-K745 PolarHBondContact OD2-NZ 3.22Å; V742-K745 HydrophobicContact CB-CB 4.08Å; V742-K745 HydrophobicContact CG1-CB 3.97Å; V742-K745 HydrophobicContact CG1-CD 3.81Å; V742-K745 HydrophobicContact CG1-CG 3.98Å; V742-K745 PolarHBondContact O-N 2.97Å; A743-K745 VanDerWaalsContact C-N 3.31Å; A743-K745 PolarHBondContact O-N 3.46Å
746G93.7Very high93.1Very high27 Ų2755.2 Ų55.228%0.27833%0.327SS..EExtended strand (participates in β ladder)trans135-172.317600000113.7Q741 V742Q741-G746 CarbonylContact C-O 3.52Å; Q741-G746 WeakPolarHBondContact CA-O 2.91Å; Q741-G746 VanDerWaalsContact CB-O 3.23Å; Q741-G746 WeakPolarHBondContact CB-O 3.46Å; V742-G746 PolarHBondContact N-O 2.83Å; V742-G746 PolarHBondContact O-N 2.96Å
747E96.8Very high93.5Very high77 Ų7753 Ų5336%0.3632%0.321SS..EExtended strand (participates in β ladder)trans-85152.8-175.5-61.6174.615400112.1R732 P739 L740R732-E747 WeakPolarHBondContact CD-OE2 3.39Å; R732-E747 WeakPolarHBondContact CG-OE2 3.19Å; P739-E747 HydrophobicContact CB-CG 4.12Å; L740-E747 WeakPolarHBondContact O-CA 3.48Å
748I97.9Very high93.9Very high0 Ų047.2 Ų47.20%028%0.282CS..  trans-82.3133.2171.7-56.8-58.3000109.2V655 L686 P688 V698 A733 L740 V742V655-I748 HydrophobicContact CG2-CD1 3.85Å; V655-I748 HydrophobicContact CG2-CG1 4.36Å; V655-I748 HydrophobicContact CG2-CG2 3.77Å; L686-I748 HydrophobicContact CB-CG2 3.84Å; L686-I748 HydrophobicContact CD1-CG2 4.23Å; L686-I748 HydrophobicContact CG-CG2 4.49Å; P688-I748 HydrophobicContact CB-CD1 4.14Å; V698-I748 HydrophobicContact CG1-CD1 4.39Å; V698-I748 HydrophobicContact CG1-CG1 3.87Å; V698-I748 HydrophobicContact CG2-CD1 4.1Å; V698-I748 HydrophobicContact CG2-CG1 4.46Å; A733-I748 HydrophobicContact CB-CB 4.02Å; A733-I748 HydrophobicContact CB-CG2 3.77Å; A733-I748 PolarHBondContact N-O 2.89Å; L740-I748 HydrophobicContact CB-CB 4.33Å; L740-I748 HydrophobicContact CB-CG1 4.09Å; L740-I748 PolarHBondContact O-N 3.24Å; V742-I748 HydrophobicContact CG2-CD1 3.94Å
749L97.5Very high93.9Very high79 Ų7950.9 Ų50.941%0.41430%0.295SS..BIsolated β-bridgetrans-121154.1-174.5-58.9178.9000112.8L686 E687 G731 R732L686-L749 CarbonylContact C-O 3.57Å; L686-L749 WeakPolarHBondContact CA-O 3.5Å; E687-L749 PolarHBondContact N-O 2.88Å; E687-L749 PolarHBondContact O-N 2.93Å; G731-L749 CarbonylContact O-C 3.59Å; G731-L749 WeakPolarHBondContact O-CA 3.39Å; R732-L749 HydrophobicContact CB-CD2 4.42Å; R732-L749 HydrophobicContact CG-CD2 3.82Å
750A96.3Very high93.8Very high2 Ų252.1 Ų52.12%0.01730%0.3CS..  trans-101.6132.9161.600000109.5A677 L686 V727 G731 S752 R754A677-A750 HydrophobicContact CB-CB 3.94Å; L686-A750 HydrophobicContact CD2-CB 4.02Å; V727-A750 HydrophobicContact CB-CB 4.41Å; V727-A750 HydrophobicContact CG1-CB 3.77Å; V727-A750 HydrophobicContact CG2-CB 3.74Å; G731-A750 PolarHBondContact O-N 2.99Å; A750-S752 PolarHBondContact O-N 2.65Å; A750-R754 PolarHBondContact O-NH1 3.46Å
751P92.7Very high93.7Very high53 Ų5354.6 Ų54.634%0.34432%0.315SS..SBendtrans-53.9-53.2-174.3-27.833.7000114.2E684 E687E684-P751 HydrophobicContact CB-CG 4.38Å; E684-P751 WeakPolarHBondContact OE2-CD 3.46Å; E687-P751 HydrophobicContact CG-CG 4.14Å
752S93.9Very high93.6Very high78 Ų7854.3 Ų54.355%0.54532%0.317SS..SBendtrans-133.7-27.3-175.181.90000114.3E684 A750 R754E684-S752 VanDerWaalsContact CD-OG 3.28Å; E684-S752 WeakPolarHBondContact OE1-CB 3.23Å; E684-S752 PolarHBondContact OE1-N 2.84Å; E684-S752 PolarHBondContact OE1-OG 2.8Å; E684-S752 PolarHBondContact OE2-N 2.86Å; E684-S752 PolarHBondContact OE2-OG 2.68Å; A750-S752 PolarHBondContact O-N 2.65Å; S752-R754 VanDerWaalsContact C-NH1 3.29Å; S752-R754 PolarHBondContact O-NH1 3.49Å
753L94Very high93.4Very high21 Ų2157.4 Ų57.411%0.1134%0.335CS..  trans-70.3141.5-179.2-65.6179.8000111.9A677 T679 A682 E684 V727 V756A677-L753 HydrophobicContact CB-CB 4.19Å; A677-L753 HydrophobicContact CB-CD1 4Å; A677-L753 WeakPolarHBondContact O-CD1 3.39Å; T679-L753 HydrophobicContact CG2-CD2 4.19Å; A682-L753 HydrophobicContact CB-CD1 4.5Å; A682-L753 HydrophobicContact CB-CD2 4.18Å; E684-L753 HydrophobicContact CB-CD1 4.36Å; E684-L753 HydrophobicContact CG-CD1 3.99Å; E684-L753 HydrophobicContact CG-CG 4.05Å; E684-L753 WeakPolarHBondContact OE2-CG 3.21Å; E684-L753 PolarHBondContact OE2-N 3.12Å; V727-L753 WeakPolarHBondContact CG1-O 3.2Å; L753-V756 HydrophobicContact CB-CG1 4.3Å; L753-V756 HydrophobicContact CB-CG2 3.74Å; L753-V756 HydrophobicContact CD1-CG2 4.35Å
754R95.8Very high94Very high97 Ų9757.3 Ų57.337%0.36633%0.326SS..  trans-135.6145.5-179.2-58.7-61.4179.6-98.14.8110.6S729 G731 A750 S752 V756S729-R754 WeakPolarHBondContact O-CD 3.31Å; G731-R754 VanDerWaalsContact CA-NE 3.27Å; A750-R754 PolarHBondContact O-NH1 3.46Å; S752-R754 VanDerWaalsContact C-NH1 3.29Å; S752-R754 PolarHBondContact O-NH1 3.49Å; R754-V756 WeakPolarHBondContact O-CG1 3.38Å; R754-V756 PolarHBondContact O-N 2.92Å; R754-V756 VanDerWaalsContact O-N 3.15Å
755E92Very high94.6Very high145 Ų14555.2 Ų55.268%0.67829%0.287SS*.SBendtrans59.522178.3-55.3-168.2103.100115.3R726 V727 D728R726-E755 PolarHBondContact NH1-O 3.37Å; V727-E755 CarbonylContact O-C 3.56Å; V727-E755 WeakPolarHBondContact O-CA 3.45Å; V727-E755 PolarHBondContact O-N 2.9Å; D728-E755 PolarHBondContact O-N 3.35Å
756V94.2Very high94.8Very high13 Ų1353.5 Ų53.58%0.07928%0.283CS..PPolyproline II helixtrans-101.3155.2-176.8-60.50000112.5A677 T679 R726 V727 L753 R754A677-V756 HydrophobicContact CB-CG2 3.8Å; T679-V756 HydrophobicContact CG2-CB 4.37Å; T679-V756 HydrophobicContact CG2-CG1 3.41Å; T679-V756 VanDerWaalsContact CG2-CG1 3.41Å; R726-V756 CarbonylContact C-O 3.55Å; R726-V756 VanDerWaalsContact CA-O 3.28Å; R726-V756 WeakPolarHBondContact CA-O 3.42Å; V727-V756 HydrophobicContact CB-CG2 3.99Å; V727-V756 HydrophobicContact CG2-CG2 3.83Å; V727-V756 PolarHBondContact N-O 3.4Å; L753-V756 HydrophobicContact CB-CG1 4.3Å; L753-V756 HydrophobicContact CB-CG2 3.74Å; L753-V756 HydrophobicContact CD1-CG2 4.35Å; R754-V756 WeakPolarHBondContact O-CG1 3.38Å; R754-V756 PolarHBondContact O-N 2.92Å; R754-V756 VanDerWaalsContact O-N 3.15Å
757P95.5Very high94.8Very high38 Ų3855.5 Ų55.525%0.24728%0.283CS..BIsolated β-bridgetrans-66.8148.3170.129.3-35.2000112.2S678S678-P757 PolarHBondContact N-O 3.08Å; S678-P757 VanDerWaalsContact N-O 3.13Å; S678-P757 WeakPolarHBondContact O-CD 3.38Å; S678-P757 WeakPolarHBondContact O-CG 3.42Å
758I95.7Very high94.7Very high1 Ų153.8 Ų53.81%0.00528%0.276CS..BIsolated β-bridgetrans-95.7135.4167.1-63.1163.9000108L675 C676 L686 Q722 L725 V727 A733L675-I758 HydrophobicContact CB-CG2 4.2Å; C676-I758 CarbonylContact O-C 3.59Å; C676-I758 VanDerWaalsContact O-CA 3.32Å; C676-I758 WeakPolarHBondContact O-CA 3.33Å; L686-I758 HydrophobicContact CD1-CD1 4Å; L686-I758 HydrophobicContact CD1-CG1 4.21Å; L686-I758 HydrophobicContact CD1-CG2 3.77Å; Q722-I758 PolarHBondContact NE2-O 2.81Å; L725-I758 HydrophobicContact CB-CB 4Å; L725-I758 HydrophobicContact CB-CD1 4.47Å; L725-I758 PolarHBondContact O-N 3.27Å; V727-I758 HydrophobicContact CG2-CD1 4.27Å; V727-I758 HydrophobicContact CG2-CG1 3.93Å; A733-I758 HydrophobicContact CB-CD1 3.56Å
759K90.9Very high94.4Very high118 Ų11858.6 Ų58.651%0.51330%0.302SS..  trans-129.50-179-69.7-178.5-177.2171.30111.8M673 L675 C676 W718M673-K759 WeakPolarHBondContact CE-OXT 3.49Å; L675-K759 WeakPolarHBondContact CA-O 3.29Å; C676-K759 PolarHBondContact N-O 3.42Å; C676-K759 PolarHBondContact O-N 2.92Å; W718-K759 WeakPolarHBondContact CZ2-OXT 3.47Å

Retrieved 759 of 759 residues in 782.2 ms (Link to these results)

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