A0A077Z9R1_TRITR Loading...

Trm112p and CortBP2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z9R1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 832 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
1M86.7Confident89.5Confident62 Ų6238.6 Ų38.631%0.30520%0.202SC..  0123.20179.5-171.966.900110.1V5 H6 L9 L25 E93 V94M1-V5 HydrophobicContact CG-CB 3.92Å; M1-V5 HydrophobicContact CG-CG1 4.15Å; M1-V5 HydrophobicContact SD-CB 4.49Å; M1-V5 HydrophobicContact SD-CG1 4.36Å; M1-H6 HydrophobicContact CE-CB 3.9Å; M1-H6 HydrophobicContact SD-CB 4.43Å; M1-L9 HydrophobicContact SD-CD1 3.77Å; M1-L25 HydrophobicContact CE-CD1 4.09Å; M1-E93 VanDerWaalsContact CA-OE1 3.31Å; M1-E93 WeakPolarHBondContact CA-OE1 3.43Å; M1-E93 PolarHBondContact N-OE1 3.03Å; M1-V94 PolarHBondContact N-O 3.4Å; M1-V94 PolarHBondContact O-N 2.98Å
2K91.4Very high88.8Confident43 Ų4347.5 Ų47.519%0.18724%0.237CC..BIsolated β-bridgetrans-74.1147.9174.9-52.8-161.7174.5-145.10112.6L4 V5 H6 M90 I92K2-L4 PolarHBondContact O-N 3.38Å; K2-L4 VanDerWaalsContact O-N 3.14Å; K2-V5 WeakPolarHBondContact O-CB 3.3Å; K2-V5 PolarHBondContact O-N 2.96Å; K2-H6 PolarHBondContact O-N 3.08Å; K2-M90 HydrophobicContact CD-CE 4.09Å; K2-M90 WeakPolarHBondContact CD-O 3.44Å; K2-M90 WeakPolarHBondContact CE-O 3.42Å; K2-M90 PolarHBondContact NZ-O 2.86Å; K2-I92 WeakPolarHBondContact CA-O 3.24Å
3L90.8Very high87.9Confident0 Ų056.8 Ų56.80%028%0.276CS..Hα-helixtrans-59.8-26178.6-63.3-170.5000113V5 H6 N7 L25 L54 A57 V61 A88 I92 V94L3-V5 PolarHBondContact O-N 3.36Å; L3-H6 PolarHBondContact O-N 3.5Å; L3-N7 PolarHBondContact O-N 3.34Å; L3-N7 VanDerWaalsContact O-N 3.16Å; L3-L25 HydrophobicContact CD2-CD2 3.7Å; L3-L54 HydrophobicContact CB-CD1 4.43Å; L3-A57 HydrophobicContact CD2-CB 4.25Å; L3-V61 HydrophobicContact CD2-CB 4.47Å; L3-V61 HydrophobicContact CD2-CG1 4.39Å; L3-V61 HydrophobicContact CD2-CG2 4.27Å; L3-A88 WeakPolarHBondContact CB-O 3.3Å; L3-A88 WeakPolarHBondContact CD1-O 3.29Å; L3-I92 HydrophobicContact CD1-CG2 4.17Å; L3-I92 HydrophobicContact CD2-CG2 4.44Å; L3-I92 HydrophobicContact CG-CB 4.42Å; L3-I92 HydrophobicContact CG-CG2 3.98Å; L3-V94 HydrophobicContact CD2-CG2 4.14Å
4L92.2Very high87.2Confident23 Ų2358.9 Ų58.912%0.1229%0.289CS..Hα-helixtrans-54.8-40.7170.1-176.567000112.8K2 F8 F41 M45 L49 L89 M90K2-L4 PolarHBondContact O-N 3.38Å; K2-L4 VanDerWaalsContact O-N 3.14Å; L4-F8 HydrophobicContact CD1-CE2 3.97Å; L4-F8 HydrophobicContact CG-CE2 4.35Å; L4-F8 WeakPolarHBondContact O-CD2 3.44Å; L4-F41 HydrophobicContact CD2-CE1 4.26Å; L4-F41 HydrophobicContact CD2-CZ 3.73Å; L4-M45 HydrophobicContact CD1-CE 3.9Å; L4-L49 HydrophobicContact CD1-CD2 3.71Å; L4-L89 HydrophobicContact CB-CB 4.34Å; L4-L89 HydrophobicContact CB-CD2 4.24Å; L4-L89 HydrophobicContact CD1-CD1 4.42Å; L4-L89 HydrophobicContact CD1-CD2 4.06Å; L4-L89 PolarHBondContact N-O 3.2Å; L4-M90 HydrophobicContact CB-CE 3.7Å; L4-M90 HydrophobicContact CD2-CE 3.42Å; L4-M90 VanDerWaalsContact CD2-CE 3.42Å; L4-M90 HydrophobicContact CG-CE 4.15Å
5V91.6Very high86.4Confident72 Ų7269 Ų6944%0.43633%0.33SS..Hα-helixtrans-70.5-44.8-178.9-179.70000109.9M1 K2 L3 N7 F8 L9M1-V5 HydrophobicContact CG-CB 3.92Å; M1-V5 HydrophobicContact CG-CG1 4.15Å; M1-V5 HydrophobicContact SD-CB 4.49Å; M1-V5 HydrophobicContact SD-CG1 4.36Å; K2-V5 WeakPolarHBondContact O-CB 3.3Å; K2-V5 PolarHBondContact O-N 2.96Å; L3-V5 PolarHBondContact O-N 3.36Å; V5-N7 PolarHBondContact O-N 3.5Å; V5-F8 PolarHBondContact O-N 3.34Å; V5-L9 HydrophobicContact CG1-CG 4.44Å; V5-L9 PolarHBondContact O-N 3.44Å
6H90.3Very high85.6Confident2 Ų269.4 Ų69.41%0.00936%0.358CS..Hα-helixtrans-53.1-41.8176.7168-91.4000112.3M1 K2 L3 F8 L9 L23 L25M1-H6 HydrophobicContact CE-CB 3.9Å; M1-H6 HydrophobicContact SD-CB 4.43Å; K2-H6 PolarHBondContact O-N 3.08Å; L3-H6 PolarHBondContact O-N 3.5Å; H6-F8 PolarHBondContact O-N 3.29Å; H6-F8 VanDerWaalsContact O-N 3.1Å; H6-L9 PolarHBondContact O-N 3.01Å; H6-L23 PolarHBondContact CE1-O 3.44Å; H6-L23 PolarHBondContact NE2-O 2.8Å; H6-L25 HydrophobicContact CB-CD2 4.49Å
7N91.8Very high84.6Confident4 Ų467.1 Ų67.12%0.02135%0.348CS..THydrogen-bonded Turntrans-60.9-20.9178.8-156.7-97000113.8L3 V5 Y21 L49 D50 L54L3-N7 PolarHBondContact O-N 3.34Å; L3-N7 VanDerWaalsContact O-N 3.16Å; V5-N7 PolarHBondContact O-N 3.5Å; N7-Y21 VanDerWaalsContact O-CE2 3.29Å; N7-Y21 WeakPolarHBondContact O-CE2 3.46Å; N7-Y21 PolarHBondContact O-OH 3.21Å; N7-L49 HydrophobicContact CB-CD2 4.06Å; N7-L49 WeakPolarHBondContact OD1-CA 3.41Å; N7-L49 WeakPolarHBondContact OD1-CD2 3.46Å; N7-D50 PolarHBondContact ND2-O 3.18Å; N7-D50 PolarHBondContact OD1-N 3.44Å; N7-L54 PolarHBondContact ND2-N 2.97Å
8F90.6Very high83.9Confident105 Ų10570.7 Ų70.746%0.46137%0.373SS..THydrogen-bonded Turntrans-102.1-3.1175.3-64.5-67000114.4L4 V5 H6 M45 R48 L49L4-F8 HydrophobicContact CD1-CE2 3.97Å; L4-F8 HydrophobicContact CG-CE2 4.35Å; L4-F8 WeakPolarHBondContact O-CD2 3.44Å; V5-F8 PolarHBondContact O-N 3.34Å; H6-F8 PolarHBondContact O-N 3.29Å; H6-F8 VanDerWaalsContact O-N 3.1Å; F8-M45 HydrophobicContact CE2-CE 3.71Å; F8-M45 HydrophobicContact CZ-CE 3.72Å; F8-R48 HydrophobicContact CZ-CB 4.49Å; F8-L49 HydrophobicContact CE2-CD2 4.11Å; F8-L49 HydrophobicContact CZ-CD2 4.03Å
9L89.5Confident83.2Confident68 Ų6872.5 Ų72.536%0.35639%0.388SS..  trans-81.3125.9177.3-65.9-179.8000110.9M1 V5 H6 Y21 L23M1-L9 HydrophobicContact SD-CD1 3.77Å; V5-L9 HydrophobicContact CG1-CG 4.44Å; V5-L9 PolarHBondContact O-N 3.44Å; H6-L9 PolarHBondContact O-N 3.01Å; L9-Y21 WeakPolarHBondContact O-CD2 3.48Å; L9-L23 HydrophobicContact CB-CD1 3.66Å
10S85.4Confident83Confident38 Ų3868.9 Ų68.927%0.26637%0.368SS..  trans-135.7138.7174.5177.80000110.7K12 F13 G20S10-K12 VanDerWaalsContact C-N 3.32Å; S10-K12 WeakPolarHBondContact OG-CG 3.47Å; S10-K12 PolarHBondContact OG-N 3.28Å; S10-F13 VanDerWaalsContact O-CD1 3.28Å; S10-F13 WeakPolarHBondContact O-CD1 3.25Å; S10-F13 VanDerWaalsContact O-CE1 3.22Å; S10-F13 WeakPolarHBondContact O-CE1 3.34Å; S10-G20 CarbonylContact C-O 3.33Å; S10-G20 WeakPolarHBondContact CA-O 3.37Å; S10-G20 WeakPolarHBondContact CB-O 3.47Å; S10-G20 PolarHBondContact OG-O 2.8Å
11S84.2Confident83.1Confident8 Ų868.5 Ų68.56%0.05636%0.362CS..  trans-89.310.3-179.760.60000113.9F13 L14 G20 N101S11-F13 PolarHBondContact O-N 2.81Å; S11-L14 WeakPolarHBondContact O-CB 3.37Å; S11-L14 PolarHBondContact O-N 2.95Å; S11-G20 PolarHBondContact N-O 3.25Å; S11-G20 WeakPolarHBondContact OG-CA 3.37Å; S11-G20 PolarHBondContact OG-O 3.25Å; S11-N101 WeakPolarHBondContact CB-ND2 3.28Å; S11-N101 WeakPolarHBondContact CB-OD1 3.26Å; S11-N101 PolarHBondContact OG-ND2 3.44Å; S11-N101 PolarHBondContact OG-OD1 2.85Å
12K80.7Confident83Confident145 Ų14567.8 Ų67.863%0.6336%0.362SS*.THydrogen-bonded Turntrans-57.5-14.8-179.7-76.1174.2-179.7178.40114.7S10 L14S10-K12 VanDerWaalsContact C-N 3.32Å; S10-K12 WeakPolarHBondContact OG-CG 3.47Å; S10-K12 PolarHBondContact OG-N 3.28Å; K12-L14 VanDerWaalsContact C-N 3.34Å
13F78Confident82.8Confident168 Ų16866.8 Ų66.874%0.73736%0.359SS*.THydrogen-bonded Turntrans-79.4-12.717466.4-92.4000113.7S10 S11S10-F13 VanDerWaalsContact O-CD1 3.28Å; S10-F13 WeakPolarHBondContact O-CD1 3.25Å; S10-F13 VanDerWaalsContact O-CE1 3.22Å; S10-F13 WeakPolarHBondContact O-CE1 3.34Å; S11-F13 PolarHBondContact O-N 2.81Å
14L77.4Confident82.5Confident87 Ų8771.8 Ų71.846%0.45538%0.381SS..SBendtrans-81128177-62.5179.4000110.6S11 K12 G16 V17S11-L14 WeakPolarHBondContact O-CB 3.37Å; S11-L14 PolarHBondContact O-N 2.95Å; K12-L14 VanDerWaalsContact C-N 3.34Å; L14-G16 PolarHBondContact O-N 3.46Å; L14-V17 HydrophobicContact CB-CG2 3.88Å; L14-V17 PolarHBondContact O-N 3.45Å
15K75.2Confident82.3Confident210 Ų21070.9 Ų70.991%0.91338%0.376SS*.THydrogen-bonded Turntrans-60129.6175.7-67.1-175.8178.3-177.20110.3
16G73.7Confident82.2Confident75 Ų7571.1 Ų71.177%0.77337%0.374SS*.THydrogen-bonded Turntrans94.6-1.4179.200000115.6L14L14-G16 PolarHBondContact O-N 3.46Å
17V68.6Low82Confident30 Ų3072.3 Ų72.318%0.18238%0.384CS..  trans-98.1110.9177.7-176.10000110.7L14 G20L14-V17 HydrophobicContact CB-CG2 3.88Å; L14-V17 PolarHBondContact O-N 3.45Å; V17-G20 VanDerWaalsContact CG1-CA 3.45Å
18T72.3Confident81.8Confident132 Ų13277.4 Ų77.481%0.8142%0.415SS*.SBendtrans-78.3-47176.148.10000112.2
19T70.6Confident81.6Confident106 Ų10676.9 Ų76.965%0.6541%0.413SS*.  trans-115.379.9179.750.60000111.1Y21T19-Y21 VanDerWaalsContact C-N 3.31Å; T19-Y21 PolarHBondContact O-N 2.9Å
20G78.6Confident81.6Confident0 Ų076.5 Ų76.50%041%0.413CS..  trans-87.728.9-175.600000116.2S10 S11 V17S10-G20 CarbonylContact C-O 3.33Å; S10-G20 WeakPolarHBondContact CA-O 3.37Å; S10-G20 WeakPolarHBondContact CB-O 3.47Å; S10-G20 PolarHBondContact OG-O 2.8Å; S11-G20 PolarHBondContact N-O 3.25Å; S11-G20 WeakPolarHBondContact OG-CA 3.37Å; S11-G20 PolarHBondContact OG-O 3.25Å; V17-G20 VanDerWaalsContact CG1-CA 3.45Å
21Y86Confident81.8Confident61 Ų6177.2 Ų77.224%0.23942%0.416CS..  trans-164.4143179.6-172.4-94.1000110.5N7 L9 T19 D50 A53N7-Y21 VanDerWaalsContact O-CE2 3.29Å; N7-Y21 WeakPolarHBondContact O-CE2 3.46Å; N7-Y21 PolarHBondContact O-OH 3.21Å; L9-Y21 WeakPolarHBondContact O-CD2 3.48Å; T19-Y21 VanDerWaalsContact C-N 3.31Å; T19-Y21 PolarHBondContact O-N 2.9Å; Y21-D50 HydrophobicContact CE1-CB 3.93Å; Y21-D50 WeakPolarHBondContact CE1-OD2 3.32Å; Y21-D50 WeakPolarHBondContact OH-CB 3.27Å; Y21-A53 HydrophobicContact CE1-CB 4Å; Y21-A53 VanDerWaalsContact OH-CB 3.27Å; Y21-A53 WeakPolarHBondContact OH-CB 3.42Å
22P83.7Confident82.1Confident47 Ų4783.6 Ų83.631%0.30544%0.439SS..SBendcis-77.3159.7-6.930.3-33000113.3A53 M56P22-A53 HydrophobicContact CB-CB 3.55Å; P22-A53 HydrophobicContact CG-CB 4.2Å; P22-M56 HydrophobicContact CG-CE 3.43Å; P22-M56 VanDerWaalsContact CG-CE 3.43Å
23L86.8Confident82.4Confident21 Ų2181.2 Ų81.211%0.1143%0.43CS..  trans-84.3129.3178.1-56.5-178.8000110.5H6 L9 L25 N101H6-L23 PolarHBondContact CE1-O 3.44Å; H6-L23 PolarHBondContact NE2-O 2.8Å; L9-L23 HydrophobicContact CB-CD1 3.66Å; L23-L25 PolarHBondContact O-N 2.9Å; L23-N101 WeakPolarHBondContact CD2-OD1 3.31Å
24K85.7Confident82.9Confident106 Ų10682.2 Ų82.246%0.46144%0.437SS..EExtended strand (participates in β ladder)trans-74108.3177.4-171.7164.6175.8170.10109.4C99 K100 E102K24-C99 WeakPolarHBondContact O-CA 3.38Å; K24-K100 WeakPolarHBondContact CB-O 3.34Å; K24-K100 PolarHBondContact N-O 2.92Å; K24-K100 PolarHBondContact O-N 2.96Å; K24-E102 HydrophobicContact CD-CG 4.43Å; K24-E102 WeakPolarHBondContact CD-OE1 3.23Å; K24-E102 WeakPolarHBondContact CE-OE1 3.3Å; K24-E102 IonicContact NZ-OE1 3.68Å; K24-E102 PolarHBondContact NZ-OE1 3.03Å
25L88.2Confident83.5Confident3 Ų379.7 Ų79.72%0.01643%0.427CS..EExtended strand (participates in β ladder)trans-91.3117.1-175.2-177.962.8000110.2M1 L3 H6 L23 A57 S60 V61 V94 A97M1-L25 HydrophobicContact CE-CD1 4.09Å; L3-L25 HydrophobicContact CD2-CD2 3.7Å; H6-L25 HydrophobicContact CB-CD2 4.49Å; L23-L25 PolarHBondContact O-N 2.9Å; L25-A57 HydrophobicContact CD2-CB 4.18Å; L25-S60 WeakPolarHBondContact O-CB 3.26Å; L25-V61 HydrophobicContact CD2-CG2 3.57Å; L25-V61 HydrophobicContact CG-CG2 3.94Å; L25-V94 HydrophobicContact CD2-CG2 4.48Å; L25-A97 HydrophobicContact CD1-CB 3.75Å
26I88.4Confident84.2Confident77 Ų7776.9 Ų76.940%0.39542%0.422SS..EExtended strand (participates in β ladder)trans-116.9103.9173.8-56.8172.8000106.5A97 S98 K100I26-A97 CarbonylContact O-C 3.58Å; I26-A97 VanDerWaalsContact O-CA 3.23Å; I26-A97 WeakPolarHBondContact O-CA 3.38Å; I26-A97 WeakPolarHBondContact O-CB 3.29Å; I26-S98 PolarHBondContact N-O 3.26Å; I26-S98 PolarHBondContact O-N 3.5Å; I26-K100 HydrophobicContact CD1-CD 4.27Å
27A86.1Confident85.1Confident27 Ų2776.5 Ų76.522%0.22340%0.399CS..EExtended strand (participates in β ladder)trans-86.2132.7-179.900000111.6V30 V61 V94 A97A27-V30 HydrophobicContact CB-CG2 3.59Å; A27-V61 HydrophobicContact CB-CG2 3.96Å; A27-V94 HydrophobicContact CB-CG1 3.82Å; A27-V94 HydrophobicContact CB-CG2 4.48Å; A27-A97 HydrophobicContact CB-CB 4.39Å
28T87.5Confident86.1Confident112 Ų11280.3 Ų80.369%0.68741%0.414SS*.EExtended strand (participates in β ladder)trans-89.4-36.3170.7-40.30000110.5E96T28-E96 PolarHBondContact N-O 3.15Å
29K87.3Confident86.9Confident94 Ų9475.4 Ų75.441%0.40939%0.387SS..EExtended strand (participates in β ladder)trans-140.3128.2-176.8-165.2-177.3-179.5-1580111.1E95 E96K29-E95 HydrophobicContact CB-CB 4.3Å; K29-E95 HydrophobicContact CD-CB 4.15Å; K29-E95 WeakPolarHBondContact CD-OE2 3.15Å; K29-E95 WeakPolarHBondContact CE-OE2 3.39Å; K29-E95 HydrophobicContact CG-CB 4.29Å; K29-E95 IonicContact NZ-OE2 2.82Å; K29-E95 PolarHBondContact NZ-OE2 2.9Å; K29-E95 PolarHBondContact O-N 3.3Å; K29-E96 HydrophobicContact CB-CB 3.84Å; K29-E96 HydrophobicContact CB-CG 4.12Å; K29-E96 PolarHBondContact N-O 2.87Å; K29-E96 VanDerWaalsContact N-O 3.14Å; K29-E96 PolarHBondContact O-N 2.88Å
30V89.7Confident87.9Confident60 Ų6076.1 Ų76.136%0.36439%0.387SS..EExtended strand (participates in β ladder)trans-132131.4-175.2-172.20000109.2A27 V61 I92A27-V30 HydrophobicContact CB-CG2 3.59Å; V30-V61 HydrophobicContact CB-CG1 4.43Å; V30-V61 HydrophobicContact CG1-CG1 3.72Å; V30-V61 HydrophobicContact CG2-CG1 3.75Å; V30-I92 HydrophobicContact CG1-CG2 3.98Å
31T90.1Very high88.5Confident52 Ų5278.5 Ų78.532%0.31940%0.398SS..EExtended strand (participates in β ladder)trans-122.4144.9-179.4-62.10000109E93 E95T31-E93 PolarHBondContact N-O 3.47Å; T31-E93 PolarHBondContact O-N 2.86Å; T31-E93 VanDerWaalsContact O-O 3.12Å; T31-E95 WeakPolarHBondContact CB-OE1 3.32Å; T31-E95 PolarHBondContact OG1-OE1 2.95Å
32R90Very high88.7Confident143 Ų14375.6 Ų75.654%0.5439%0.386SS..EExtended strand (participates in β ladder)trans-99132172.3-65.3-177.2-166.9-136.4-12.6109.6D64 E91R32-D64 IonicContact CZ-OD1 3.95Å; R32-D64 IonicContact CZ-OD2 3.22Å; R32-D64 IonicContact NH1-OD2 2.89Å; R32-D64 PolarHBondContact NH1-OD2 3.48Å; R32-D64 IonicContact NH2-OD1 2.96Å; R32-D64 PolarHBondContact NH2-OD1 3.43Å; R32-D64 IonicContact NH2-OD2 2.7Å; R32-D64 PolarHBondContact NH2-OD2 3.27Å; R32-E91 CarbonylContact C-O 3.57Å; R32-E91 WeakPolarHBondContact CA-O 3.24Å
33Q86.2Confident89Confident95 Ų9576.5 Ų76.544%0.44439%0.385SS..  trans-129.4111.8176.8-177.8-174.669.900108.9E91Q33-E91 PolarHBondContact N-O 2.96Å; Q33-E91 VanDerWaalsContact O-CA 3.28Å; Q33-E91 WeakPolarHBondContact O-CA 3.43Å
34E89.8Confident89.2Confident188 Ų18883.1 Ų83.188%0.87941%0.409SS*.  trans-56.8142.7176.4-63.1-177.9166.900111.3
35S88.2Confident89.4Confident35 Ų3579.4 Ų79.425%0.24539%0.394CS..  trans-150.1146.6-178.158.50000111.8F37 H86 M90S35-F37 PolarHBondContact O-N 2.95Å; S35-H86 PolarHBondContact O-NE2 3.38Å; S35-H86 PolarHBondContact OG-CE1 2.9Å; S35-H86 PolarHBondContact OG-NE2 3.39Å; S35-M90 WeakPolarHBondContact OG-CB 3.39Å
36D91Very high89.5Confident150 Ų15079.7 Ų79.780%0.80240%0.396SS*.  trans-60.2126.3-175.1-66.1-42.6000112.4E38 H86D36-E38 PolarHBondContact O-N 3.22Å; D36-H86 PolarHBondContact O-CE1 2.95Å
37F91.8Very high89.6Confident67 Ų6780.5 Ų80.529%0.29441%0.406SS..  trans-71.199.9-179.4174.7-111.3000112.3S35 A39 L42 E79 L82 R83 H86S35-F37 PolarHBondContact O-N 2.95Å; F37-A39 HydrophobicContact CE1-CB 4.05Å; F37-A39 HydrophobicContact CZ-CB 3.97Å; F37-L42 HydrophobicContact CE2-CD1 4.1Å; F37-E79 HydrophobicContact CZ-CG 4.49Å; F37-L82 HydrophobicContact CE2-CB 4.17Å; F37-L82 HydrophobicContact CZ-CB 4.03Å; F37-R83 HydrophobicContact CD2-CG 4.18Å; F37-R83 HydrophobicContact CE1-CG 4.37Å; F37-R83 HydrophobicContact CE2-CB 4.48Å; F37-R83 HydrophobicContact CE2-CG 3.74Å; F37-R83 HydrophobicContact CZ-CG 3.84Å; F37-H86 HydrophobicContact CD2-CB 3.81Å; F37-H86 AromaticContact CD2-CG 3.79Å; F37-H86 HydrophobicContact CE2-CB 4.15Å
38E90Very high89.8Confident110 Ų11087.9 Ų87.951%0.51443%0.428SS..  trans-102.487.3175.2-75.3-158.8-171.700113.1D36 N40 F41 L42D36-E38 PolarHBondContact O-N 3.22Å; E38-N40 PolarHBondContact O-N 3.47Å; E38-N40 VanDerWaalsContact O-N 3.12Å; E38-F41 HydrophobicContact CB-CB 3.64Å; E38-F41 WeakPolarHBondContact O-CB 3.47Å; E38-F41 PolarHBondContact O-N 2.91Å; E38-L42 PolarHBondContact O-N 3.24Å
39A90Very high89.9Confident29 Ų2983.5 Ų83.524%0.2440%0.4CS..Hα-helixtrans-54-35.117400000113.4F37 F41 L42 K43F37-A39 HydrophobicContact CE1-CB 4.05Å; F37-A39 HydrophobicContact CZ-CB 3.97Å; A39-F41 VanDerWaalsContact C-N 3.32Å; A39-F41 PolarHBondContact O-N 3.41Å; A39-L42 PolarHBondContact O-N 3.41Å; A39-K43 WeakPolarHBondContact O-CG 3.27Å; A39-K43 PolarHBondContact O-N 2.89Å
40N90.2Very high90.1Very high122 Ų12281.9 Ų81.965%0.65240%0.396SS*.Hα-helixtrans-70.2-23.5176.6-72.1-42.1000113.8E38 R44E38-N40 PolarHBondContact O-N 3.47Å; E38-N40 VanDerWaalsContact O-N 3.12Å; N40-R44 PolarHBondContact O-NE 3.26Å; N40-R44 PolarHBondContact O-NH2 3.41Å
41F91.4Very high90.1Very high50 Ų5080.8 Ų80.822%0.21939%0.385CS..Hα-helixtrans-73.5-50.4170.7171.2-106.2000109.7L4 E38 A39 K43 R44 M45 M90L4-F41 HydrophobicContact CD2-CE1 4.26Å; L4-F41 HydrophobicContact CD2-CZ 3.73Å; E38-F41 HydrophobicContact CB-CB 3.64Å; E38-F41 WeakPolarHBondContact O-CB 3.47Å; E38-F41 PolarHBondContact O-N 2.91Å; A39-F41 VanDerWaalsContact C-N 3.32Å; A39-F41 PolarHBondContact O-N 3.41Å; F41-K43 PolarHBondContact O-N 3.49Å; F41-R44 WeakPolarHBondContact O-CA 3.43Å; F41-R44 PolarHBondContact O-N 2.84Å; F41-M45 HydrophobicContact CD1-CG 4.29Å; F41-M45 HydrophobicContact CD2-CG 3.96Å; F41-M45 HydrophobicContact CE1-CG 3.94Å; F41-M45 HydrophobicContact CE2-CG 3.58Å; F41-M45 HydrophobicContact CE2-SD 4.18Å; F41-M45 HydrophobicContact CG-CG 4.3Å; F41-M45 HydrophobicContact CZ-CG 3.59Å; F41-M45 HydrophobicContact CZ-SD 4.43Å; F41-M45 WeakPolarHBondContact O-CG 3.2Å; F41-M45 PolarHBondContact O-N 2.9Å; F41-M90 HydrophobicContact CD1-SD 4.48Å; F41-M90 HydrophobicContact CE1-CE 4.38Å; F41-M90 HydrophobicContact CE1-CG 4.42Å; F41-M90 HydrophobicContact CE1-SD 3.7Å; F41-M90 HydrophobicContact CZ-SD 4.28Å
42L91.2Very high90.1Very high0 Ų081.2 Ų81.20%039%0.39CS..Hα-helixtrans-58.5-44.4179.6-62.1-179.9000113.1F37 E38 A39 R44 M45 V46 L82 I85 H86 L89F37-L42 HydrophobicContact CE2-CD1 4.1Å; E38-L42 PolarHBondContact O-N 3.24Å; A39-L42 PolarHBondContact O-N 3.41Å; L42-R44 PolarHBondContact O-N 2.93Å; L42-R44 VanDerWaalsContact O-N 3.1Å; L42-M45 PolarHBondContact O-N 3.17Å; L42-V46 WeakPolarHBondContact O-CG2 3.38Å; L42-V46 PolarHBondContact O-N 3.49Å; L42-L82 HydrophobicContact CB-CD2 3.73Å; L42-L82 HydrophobicContact CD1-CB 4.23Å; L42-L82 HydrophobicContact CD1-CD2 3.96Å; L42-L82 WeakPolarHBondContact CD1-O 3.43Å; L42-I85 HydrophobicContact CD2-CG2 4.09Å; L42-H86 HydrophobicContact CD1-CB 3.98Å; L42-L89 HydrophobicContact CD2-CD1 4.05Å
43K90.5Very high90Very high65 Ų6574.4 Ų74.428%0.28337%0.365SS..Hα-helixtrans-56.7-26.4174.8-72.3-174.5-178.7-137.30114.1A39 F41 E76A39-K43 WeakPolarHBondContact O-CG 3.27Å; A39-K43 PolarHBondContact O-N 2.89Å; F41-K43 PolarHBondContact O-N 3.49Å; K43-E76 WeakPolarHBondContact CE-O 3.26Å; K43-E76 PolarHBondContact NZ-O 3.21Å
44R91Very high90.3Very high161 Ų16170 Ų7061%0.60834%0.344SS*.Hα-helixtrans-91.3-21.8175.5-68.2178.1-70.61652.1113.3N40 F41 L42N40-R44 PolarHBondContact O-NE 3.26Å; N40-R44 PolarHBondContact O-NH2 3.41Å; F41-R44 WeakPolarHBondContact O-CA 3.43Å; F41-R44 PolarHBondContact O-N 2.84Å; L42-R44 PolarHBondContact O-N 2.93Å; L42-R44 VanDerWaalsContact O-N 3.1Å
45M89.9Confident90.3Very high28 Ų2861.9 Ų61.914%0.13831%0.307CS..Hα-helixtrans-94.2-41.1-177.3-70.4-51.6-65.300113.6L4 F8 F41 L42 P47 R48 L49L4-M45 HydrophobicContact CD1-CE 3.9Å; F8-M45 HydrophobicContact CE2-CE 3.71Å; F8-M45 HydrophobicContact CZ-CE 3.72Å; F41-M45 HydrophobicContact CD1-CG 4.29Å; F41-M45 HydrophobicContact CD2-CG 3.96Å; F41-M45 HydrophobicContact CE1-CG 3.94Å; F41-M45 HydrophobicContact CE2-CG 3.58Å; F41-M45 HydrophobicContact CE2-SD 4.18Å; F41-M45 HydrophobicContact CG-CG 4.3Å; F41-M45 HydrophobicContact CZ-CG 3.59Å; F41-M45 HydrophobicContact CZ-SD 4.43Å; F41-M45 WeakPolarHBondContact O-CG 3.2Å; F41-M45 PolarHBondContact O-N 2.9Å; L42-M45 PolarHBondContact O-N 3.17Å; M45-P47 VanDerWaalsContact C-N 3.33Å; M45-R48 WeakPolarHBondContact O-CA 3.28Å; M45-R48 WeakPolarHBondContact O-CB 3.21Å; M45-R48 PolarHBondContact O-N 3.36Å; M45-L49 WeakPolarHBondContact O-CG 3.35Å; M45-L49 PolarHBondContact O-N 3.03Å
46V90Very high90.3Very high9 Ų965 Ų656%0.05532%0.319CS..G310 helixtrans-51.1-44-179.2170.80000112.9L42 R48 L49 L71 W75 I85L42-V46 WeakPolarHBondContact O-CG2 3.38Å; L42-V46 PolarHBondContact O-N 3.49Å; V46-R48 PolarHBondContact O-N 2.9Å; V46-L49 PolarHBondContact O-N 3Å; V46-L71 HydrophobicContact CG1-CD1 4.36Å; V46-L71 HydrophobicContact CG1-CD2 3.75Å; V46-W75 HydrophobicContact CB-CE3 4.15Å; V46-W75 HydrophobicContact CB-CH2 3.87Å; V46-W75 HydrophobicContact CB-CZ3 3.62Å; V46-W75 HydrophobicContact CG1-CD2 4.1Å; V46-W75 HydrophobicContact CG1-CE3 3.85Å; V46-W75 HydrophobicContact CG1-CH2 3.92Å; V46-W75 HydrophobicContact CG1-CZ2 4.14Å; V46-W75 HydrophobicContact CG1-CZ3 3.76Å; V46-W75 HydrophobicContact CG2-CE3 4.36Å; V46-W75 HydrophobicContact CG2-CZ3 4.05Å; V46-I85 HydrophobicContact CG2-CD1 4.33Å; V46-I85 HydrophobicContact CG2-CG2 4.18Å
47P89.7Confident90.2Very high94 Ų9457.9 Ų57.961%0.6128%0.281SS*.G310 helixtrans-67-2.6175.8-21.334.7000115.9M45 W75M45-P47 VanDerWaalsContact C-N 3.33Å; P47-W75 HydrophobicContact CG-CH2 3.98Å; P47-W75 HydrophobicContact CG-CZ2 4.19Å
48R90.3Very high90.1Very high181 Ų18154.9 Ų54.968%0.68327%0.268SS*.G310 helixtrans-114.9-4.6-179.9-63.4-179.2137.4-140.5-7.1113.3F8 M45 V46F8-R48 HydrophobicContact CZ-CB 4.49Å; M45-R48 WeakPolarHBondContact O-CA 3.28Å; M45-R48 WeakPolarHBondContact O-CB 3.21Å; M45-R48 PolarHBondContact O-N 3.36Å; V46-R48 PolarHBondContact O-N 2.9Å
49L90.5Very high90Very high20 Ų2056.6 Ų56.611%0.10527%0.27CS..SBendtrans-92142.1179.8-63.1170.7000110.1L4 N7 F8 M45 V46 W51 L89L4-L49 HydrophobicContact CD1-CD2 3.71Å; N7-L49 HydrophobicContact CB-CD2 4.06Å; N7-L49 WeakPolarHBondContact OD1-CA 3.41Å; N7-L49 WeakPolarHBondContact OD1-CD2 3.46Å; F8-L49 HydrophobicContact CE2-CD2 4.11Å; F8-L49 HydrophobicContact CZ-CD2 4.03Å; M45-L49 WeakPolarHBondContact O-CG 3.35Å; M45-L49 PolarHBondContact O-N 3.03Å; V46-L49 PolarHBondContact O-N 3Å; L49-W51 PolarHBondContact O-N 3.24Å; L49-L89 HydrophobicContact CD1-CD1 3.54Å; L49-L89 HydrophobicContact CD1-CD2 4.01Å; L49-L89 HydrophobicContact CD1-CG 4.41Å; L49-L89 HydrophobicContact CD2-CD2 4.44Å
50D90.5Very high89.8Confident60 Ų6058.4 Ų58.432%0.32128%0.281SS..  trans-80.2111.5160.2-171.4-30.2000108.4N7 Y21 S52 A53 L54N7-D50 PolarHBondContact ND2-O 3.18Å; N7-D50 PolarHBondContact OD1-N 3.44Å; Y21-D50 HydrophobicContact CE1-CB 3.93Å; Y21-D50 WeakPolarHBondContact CE1-OD2 3.32Å; Y21-D50 WeakPolarHBondContact OH-CB 3.27Å; D50-S52 VanDerWaalsContact C-N 3.29Å; D50-S52 PolarHBondContact O-N 3.46Å; D50-S52 WeakPolarHBondContact OD1-CB 3.47Å; D50-S52 PolarHBondContact OD1-N 2.86Å; D50-S52 PolarHBondContact OD1-OG 3.41Å; D50-A53 HydrophobicContact CB-CB 3.92Å; D50-A53 PolarHBondContact O-N 2.94Å; D50-A53 PolarHBondContact OD1-N 3.05Å; D50-L54 PolarHBondContact O-N 2.6Å; D50-L54 VanDerWaalsContact O-N 3.08Å
51W90.6Very high89.6Confident37 Ų3753.7 Ų53.714%0.1426%0.256CS..Hα-helixtrans-62.7-35.7-179.8-165.7-108.5000112.4L49 L54 L55 L67 P68 L71 I85L49-W51 PolarHBondContact O-N 3.24Å; W51-L54 HydrophobicContact CE3-CD2 4.13Å; W51-L54 HydrophobicContact CZ3-CD2 3.96Å; W51-L54 PolarHBondContact O-N 3.38Å; W51-L55 HydrophobicContact CG-CD1 4.47Å; W51-L55 WeakPolarHBondContact O-CB 3.41Å; W51-L55 WeakPolarHBondContact O-CG 3.37Å; W51-L55 PolarHBondContact O-N 2.97Å; W51-L67 HydrophobicContact CH2-CD2 4.13Å; W51-P68 WeakPolarHBondContact CZ2-O 3.27Å; W51-P68 PolarHBondContact NE1-O 3.48Å; W51-L71 HydrophobicContact CD2-CB 4.49Å; W51-L71 HydrophobicContact CE3-CD1 4.32Å; W51-L71 HydrophobicContact CH2-CD1 3.96Å; W51-L71 HydrophobicContact CZ2-CD1 4.23Å; W51-L71 HydrophobicContact CZ3-CD1 4.01Å; W51-I85 HydrophobicContact CH2-CD1 3.84Å; W51-I85 HydrophobicContact CH2-CG1 3.9Å; W51-I85 HydrophobicContact CZ3-CD1 3.97Å; W51-I85 HydrophobicContact CZ3-CG1 4.15Å
52S88.8Confident88.8Confident61 Ų6151.6 Ų51.643%0.42725%0.248SC..Hα-helixtrans-67.9-40.1-179.974.30000111.7D50 M56D50-S52 VanDerWaalsContact C-N 3.29Å; D50-S52 PolarHBondContact O-N 3.46Å; D50-S52 WeakPolarHBondContact OD1-CB 3.47Å; D50-S52 PolarHBondContact OD1-N 2.86Å; D50-S52 PolarHBondContact OD1-OG 3.41Å; S52-M56 WeakPolarHBondContact O-CE 3.46Å; S52-M56 PolarHBondContact O-N 3.3Å; S52-M56 VanDerWaalsContact O-N 3.13Å
53A89.6Confident88.1Confident1 Ų156.2 Ų56.21%0.00829%0.287CS..Hα-helixtrans-66.9-41.1175.500000111.9Y21 P22 D50 M56 A57Y21-A53 HydrophobicContact CE1-CB 4Å; Y21-A53 VanDerWaalsContact OH-CB 3.27Å; Y21-A53 WeakPolarHBondContact OH-CB 3.42Å; P22-A53 HydrophobicContact CB-CB 3.55Å; P22-A53 HydrophobicContact CG-CB 4.2Å; D50-A53 HydrophobicContact CB-CB 3.92Å; D50-A53 PolarHBondContact O-N 2.94Å; D50-A53 PolarHBondContact OD1-N 3.05Å; A53-M56 PolarHBondContact O-N 2.87Å; A53-A57 WeakPolarHBondContact O-CB 3.41Å; A53-A57 PolarHBondContact O-N 2.84Å
54L91.1Very high87.5Confident1 Ų157.5 Ų57.51%0.00530%0.297CS..Hα-helixtrans-63.6-46.5176.1-17861.4000111.3L3 N7 D50 W51 M56 A57 T58 L67 L89L3-L54 HydrophobicContact CB-CD1 4.43Å; N7-L54 PolarHBondContact ND2-N 2.97Å; D50-L54 PolarHBondContact O-N 2.6Å; D50-L54 VanDerWaalsContact O-N 3.08Å; W51-L54 HydrophobicContact CE3-CD2 4.13Å; W51-L54 HydrophobicContact CZ3-CD2 3.96Å; W51-L54 PolarHBondContact O-N 3.38Å; L54-M56 VanDerWaalsContact C-N 3.35Å; L54-M56 PolarHBondContact O-N 3.1Å; L54-A57 PolarHBondContact O-N 2.95Å; L54-A57 VanDerWaalsContact O-N 3.16Å; L54-T58 PolarHBondContact O-N 3.4Å; L54-T58 PolarHBondContact O-OG1 3.3Å; L54-T58 VanDerWaalsContact O-OG1 3.07Å; L54-L67 HydrophobicContact CD2-CD1 4.44Å; L54-L67 HydrophobicContact CG-CD1 4.3Å; L54-L89 HydrophobicContact CD1-CD2 3.62Å; L54-L89 HydrophobicContact CD2-CD2 4.04Å; L54-L89 HydrophobicContact CG-CD2 4.5Å
55L89.9Confident86.9Confident19 Ų1950.2 Ų50.210%0.09927%0.27CS..Hα-helixtrans-58.7-44.3177.2-77.4170.9000112.3W51 A57 R59 L67 E69W51-L55 HydrophobicContact CG-CD1 4.47Å; W51-L55 WeakPolarHBondContact O-CB 3.41Å; W51-L55 WeakPolarHBondContact O-CG 3.37Å; W51-L55 PolarHBondContact O-N 2.97Å; L55-A57 VanDerWaalsContact C-N 3.35Å; L55-A57 PolarHBondContact O-N 3.3Å; L55-R59 VanDerWaalsContact O-CB 3.27Å; L55-R59 WeakPolarHBondContact O-CB 3.38Å; L55-R59 WeakPolarHBondContact O-CD 3.4Å; L55-R59 WeakPolarHBondContact O-CG 3.29Å; L55-R59 PolarHBondContact O-N 3.08Å; L55-L67 HydrophobicContact CD2-CB 3.75Å; L55-E69 WeakPolarHBondContact CD1-O 3.37Å
56M88Confident86.3Confident100 Ų10053 Ų5349%0.49330%0.297SS..Hα-helixtrans-63.5-39.5175.4-76.7-172.8-81.500112.5P22 S52 A53 L54 S60P22-M56 HydrophobicContact CG-CE 3.43Å; P22-M56 VanDerWaalsContact CG-CE 3.43Å; S52-M56 WeakPolarHBondContact O-CE 3.46Å; S52-M56 PolarHBondContact O-N 3.3Å; S52-M56 VanDerWaalsContact O-N 3.13Å; A53-M56 PolarHBondContact O-N 2.87Å; L54-M56 VanDerWaalsContact C-N 3.35Å; L54-M56 PolarHBondContact O-N 3.1Å; M56-S60 WeakPolarHBondContact O-CB 3.3Å; M56-S60 PolarHBondContact O-N 2.97Å; M56-S60 PolarHBondContact O-OG 2.98Å
57A89.3Confident86.1Confident1 Ų153.7 Ų53.71%0.00830%0.3CS..Hα-helixtrans-66.4-50.5177.700000111.8L3 L25 A53 L54 L55 R59 S60 V61L3-A57 HydrophobicContact CD2-CB 4.25Å; L25-A57 HydrophobicContact CD2-CB 4.18Å; A53-A57 WeakPolarHBondContact O-CB 3.41Å; A53-A57 PolarHBondContact O-N 2.84Å; L54-A57 PolarHBondContact O-N 2.95Å; L54-A57 VanDerWaalsContact O-N 3.16Å; L55-A57 VanDerWaalsContact C-N 3.35Å; L55-A57 PolarHBondContact O-N 3.3Å; A57-R59 PolarHBondContact O-N 2.94Å; A57-S60 PolarHBondContact O-N 2.97Å; A57-S60 VanDerWaalsContact O-N 3.09Å; A57-V61 WeakPolarHBondContact O-CB 3.24Å; A57-V61 WeakPolarHBondContact O-CG2 3.4Å; A57-V61 PolarHBondContact O-N 2.92Å; A57-V61 VanDerWaalsContact O-N 3.13Å
58T89.4Confident85.8Confident4 Ų451.4 Ų51.43%0.02529%0.286CS..Hα-helixtrans-62-45179.8-52.40000111.4L54 S60 V61 A62 V65 L67L54-T58 PolarHBondContact O-N 3.4Å; L54-T58 PolarHBondContact O-OG1 3.3Å; L54-T58 VanDerWaalsContact O-OG1 3.07Å; T58-S60 PolarHBondContact O-N 3.01Å; T58-S60 VanDerWaalsContact O-N 3.14Å; T58-V61 PolarHBondContact O-N 2.89Å; T58-V61 VanDerWaalsContact O-N 3.15Å; T58-A62 CarbonylContact O-C 3.4Å; T58-A62 PolarHBondContact O-N 3.47Å; T58-V65 HydrophobicContact CG2-CB 4.02Å; T58-V65 HydrophobicContact CG2-CG1 4.42Å; T58-L67 HydrophobicContact CG2-CD1 3.9Å; T58-L67 WeakPolarHBondContact OG1-CD1 3.49Å
59R88.9Confident85.4Confident146 Ų14649.2 Ų49.255%0.55128%0.283SS*.Hα-helixtrans-57.6-27.4174.8-74.8172.1179.3-168.8-4.2113.6L55 A57 E69L55-R59 VanDerWaalsContact O-CB 3.27Å; L55-R59 WeakPolarHBondContact O-CB 3.38Å; L55-R59 WeakPolarHBondContact O-CD 3.4Å; L55-R59 WeakPolarHBondContact O-CG 3.29Å; L55-R59 PolarHBondContact O-N 3.08Å; A57-R59 PolarHBondContact O-N 2.94Å; R59-E69 IonicContact CZ-OE1 2.66Å; R59-E69 IonicContact NH1-OE1 3.51Å; R59-E69 IonicContact NH2-OE1 3.22Å; R59-E69 PolarHBondContact NH2-OE1 3.21Å
60S85.2Confident85Confident67 Ų6753.6 Ų53.647%0.46931%0.311SS..Hα-helixtrans-92.8-14.8-178.6-51.40000114L25 M56 A57 T58L25-S60 WeakPolarHBondContact O-CB 3.26Å; M56-S60 WeakPolarHBondContact O-CB 3.3Å; M56-S60 PolarHBondContact O-N 2.97Å; M56-S60 PolarHBondContact O-OG 2.98Å; A57-S60 PolarHBondContact O-N 2.97Å; A57-S60 VanDerWaalsContact O-N 3.09Å; T58-S60 PolarHBondContact O-N 3.01Å; T58-S60 VanDerWaalsContact O-N 3.14Å
61V84.9Confident84.8Confident22 Ų2253.4 Ų53.413%0.13331%0.309CS..Hα-helixtrans-121.6-36.2-169.8175.90000112.8L3 L25 A27 V30 A57 T58 I92 V94L3-V61 HydrophobicContact CD2-CB 4.47Å; L3-V61 HydrophobicContact CD2-CG1 4.39Å; L3-V61 HydrophobicContact CD2-CG2 4.27Å; L25-V61 HydrophobicContact CD2-CG2 3.57Å; L25-V61 HydrophobicContact CG-CG2 3.94Å; A27-V61 HydrophobicContact CB-CG2 3.96Å; V30-V61 HydrophobicContact CB-CG1 4.43Å; V30-V61 HydrophobicContact CG1-CG1 3.72Å; V30-V61 HydrophobicContact CG2-CG1 3.75Å; A57-V61 WeakPolarHBondContact O-CB 3.24Å; A57-V61 WeakPolarHBondContact O-CG2 3.4Å; A57-V61 PolarHBondContact O-N 2.92Å; A57-V61 VanDerWaalsContact O-N 3.13Å; T58-V61 PolarHBondContact O-N 2.89Å; T58-V61 VanDerWaalsContact O-N 3.15Å; V61-I92 HydrophobicContact CG1-CG2 3.53Å; V61-V94 HydrophobicContact CG1-CG2 3.67Å; V61-V94 HydrophobicContact CG2-CG2 4.17Å
62A75.6Confident84.4Confident7 Ų754.2 Ų54.26%0.05832%0.32CS..  trans-148.380.6-174.200000110.6T58 D64 V65 I92T58-A62 CarbonylContact O-C 3.4Å; T58-A62 PolarHBondContact O-N 3.47Å; A62-D64 PolarHBondContact O-N 3.03Å; A62-D64 VanDerWaalsContact O-N 3.15Å; A62-V65 HydrophobicContact CB-CG2 4.18Å; A62-V65 PolarHBondContact O-N 3.02Å; A62-I92 HydrophobicContact CB-CD1 3.32Å; A62-I92 HydrophobicContact CB-CG1 4.18Å
63A75.9Confident84Confident97 Ų9759.1 Ų59.180%0.80234%0.341SS*.THydrogen-bonded Turntrans-65-12.9-179.200000114.1
64D77.5Confident83.6Confident92 Ų9265.4 Ų65.449%0.49237%0.37SS..THydrogen-bonded Turntrans-81.1-19.2176.463.7-63.2000113.9R32 A62 A66R32-D64 IonicContact CZ-OD1 3.95Å; R32-D64 IonicContact CZ-OD2 3.22Å; R32-D64 IonicContact NH1-OD2 2.89Å; R32-D64 PolarHBondContact NH1-OD2 3.48Å; R32-D64 IonicContact NH2-OD1 2.96Å; R32-D64 PolarHBondContact NH2-OD1 3.43Å; R32-D64 IonicContact NH2-OD2 2.7Å; R32-D64 PolarHBondContact NH2-OD2 3.27Å; A62-D64 PolarHBondContact O-N 3.03Å; A62-D64 VanDerWaalsContact O-N 3.15Å; D64-A66 PolarHBondContact O-N 2.81Å
65V79.5Confident83.3Confident8 Ų866.9 Ų66.95%0.04838%0.376CS..SBendtrans-88.191.1179-174.80000109.9T58 A62 L67 Q87 A88 I92T58-V65 HydrophobicContact CG2-CB 4.02Å; T58-V65 HydrophobicContact CG2-CG1 4.42Å; A62-V65 HydrophobicContact CB-CG2 4.18Å; A62-V65 PolarHBondContact O-N 3.02Å; V65-L67 HydrophobicContact CG1-CG 4.49Å; V65-L67 PolarHBondContact O-N 2.91Å; V65-Q87 HydrophobicContact CG1-CG 4.47Å; V65-Q87 HydrophobicContact CG2-CG 3.93Å; V65-A88 HydrophobicContact CG1-CB 4.22Å; V65-I92 HydrophobicContact CG2-CD1 3.92Å
66A77.5Confident83.1Confident86 Ų8670.4 Ų70.471%0.71139%0.392SS*.  trans-67.9100.8178.900000112.1D64D64-A66 PolarHBondContact O-N 2.81Å
67L84.6Confident82.9Confident23 Ų2371.7 Ų71.712%0.1240%0.401CS..  trans-98.6138170.6-71.1170.7000111W51 L54 L55 T58 V65 I85 A88W51-L67 HydrophobicContact CH2-CD2 4.13Å; L54-L67 HydrophobicContact CD2-CD1 4.44Å; L54-L67 HydrophobicContact CG-CD1 4.3Å; L55-L67 HydrophobicContact CD2-CB 3.75Å; T58-L67 HydrophobicContact CG2-CD1 3.9Å; T58-L67 WeakPolarHBondContact OG1-CD1 3.49Å; V65-L67 HydrophobicContact CG1-CG 4.49Å; V65-L67 PolarHBondContact O-N 2.91Å; L67-I85 HydrophobicContact CD2-CG1 4.02Å; L67-A88 HydrophobicContact CD1-CB 3.98Å; L67-A88 HydrophobicContact CD2-CB 4.45Å
68P83.5Confident82.7Confident46 Ų4676 Ų7630%0.29942%0.421SS..  trans-60.4140.6173.2-2535.2000113.1W51 T70 L81W51-P68 WeakPolarHBondContact CZ2-O 3.27Å; W51-P68 PolarHBondContact NE1-O 3.48Å; P68-T70 VanDerWaalsContact CB-O 3.3Å; P68-T70 WeakPolarHBondContact CB-O 3.38Å; P68-T70 PolarHBondContact O-N 3.2Å; P68-L81 HydrophobicContact CG-CD1 3.77Å
69E81.5Confident82.5Confident135 Ų13580.6 Ų80.663%0.63144%0.442SS*.SBendtrans-62.7-32.2177.9-57.7-154.7120.200112.7L55 R59L55-E69 WeakPolarHBondContact CD1-O 3.37Å; R59-E69 IonicContact CZ-OE1 2.66Å; R59-E69 IonicContact NH1-OE1 3.51Å; R59-E69 IonicContact NH2-OE1 3.22Å; R59-E69 PolarHBondContact NH2-OE1 3.21Å
70T83.6Confident82.4Confident112 Ų11277.9 Ų77.969%0.68744%0.443SS*.SBendtrans-122.5141.4173.352.80000110.1P68 P72P68-T70 VanDerWaalsContact CB-O 3.3Å; P68-T70 WeakPolarHBondContact CB-O 3.38Å; P68-T70 PolarHBondContact O-N 3.2Å; T70-P72 VanDerWaalsContact O-CD 3.3Å; T70-P72 WeakPolarHBondContact O-CD 3.48Å
71L85.7Confident82.6Confident56 Ų5675.6 Ų75.629%0.29343%0.425SS..  trans-72.8117.9178-173.271.2000109.5V46 W51 W75 L81V46-L71 HydrophobicContact CG1-CD1 4.36Å; V46-L71 HydrophobicContact CG1-CD2 3.75Å; W51-L71 HydrophobicContact CD2-CB 4.49Å; W51-L71 HydrophobicContact CE3-CD1 4.32Å; W51-L71 HydrophobicContact CH2-CD1 3.96Å; W51-L71 HydrophobicContact CZ2-CD1 4.23Å; W51-L71 HydrophobicContact CZ3-CD1 4.01Å; L71-W75 HydrophobicContact CD1-CB 3.87Å; L71-W75 HydrophobicContact CD1-CG 4.01Å; L71-W75 HydrophobicContact CD2-CD2 4.23Å; L71-W75 HydrophobicContact CD2-CG 3.96Å; L71-W75 HydrophobicContact CG-CB 4.11Å; L71-W75 HydrophobicContact CG-CG 3.9Å; L71-L81 HydrophobicContact CD1-CD2 4.46Å
72P82.8Confident82.9Confident55 Ų5574.9 Ų74.936%0.35742%0.421SS..  trans-70.8142-177.7-18.332.5000112.3T70 Q74 W75 L81T70-P72 VanDerWaalsContact O-CD 3.3Å; T70-P72 WeakPolarHBondContact O-CD 3.48Å; P72-Q74 PolarHBondContact O-N 2.82Å; P72-W75 VanDerWaalsContact O-CB 3.31Å; P72-W75 WeakPolarHBondContact O-CB 3.31Å; P72-W75 PolarHBondContact O-N 3.37Å; P72-L81 HydrophobicContact CG-CD2 4.28Å
73D79.3Confident83.6Confident164 Ų16480.5 Ų80.588%0.87744%0.441SS*.THydrogen-bonded Turntrans-52.8-28-171.8-63.2-34.6000115.7
74Q81.9Confident84.2Confident132 Ų13277.6 Ų77.662%0.61741%0.414SS*.THydrogen-bonded Turntrans-101.321-179-59-169.69.700114P72 E76 N77 H78P72-Q74 PolarHBondContact O-N 2.82Å; Q74-E76 PolarHBondContact O-N 2.91Å; Q74-N77 PolarHBondContact O-N 2.94Å; Q74-H78 PolarHBondContact O-CD2 2.97Å
75W84.4Confident84.9Confident32 Ų3273.2 Ų73.212%0.12139%0.391CS..THydrogen-bonded Turntrans-49.5-30.1-177.562.8-90.6000114.6V46 P47 L71 P72 N77 H78 L81V46-W75 HydrophobicContact CB-CE3 4.15Å; V46-W75 HydrophobicContact CB-CH2 3.87Å; V46-W75 HydrophobicContact CB-CZ3 3.62Å; V46-W75 HydrophobicContact CG1-CD2 4.1Å; V46-W75 HydrophobicContact CG1-CE3 3.85Å; V46-W75 HydrophobicContact CG1-CH2 3.92Å; V46-W75 HydrophobicContact CG1-CZ2 4.14Å; V46-W75 HydrophobicContact CG1-CZ3 3.76Å; V46-W75 HydrophobicContact CG2-CE3 4.36Å; V46-W75 HydrophobicContact CG2-CZ3 4.05Å; P47-W75 HydrophobicContact CG-CH2 3.98Å; P47-W75 HydrophobicContact CG-CZ2 4.19Å; L71-W75 HydrophobicContact CD1-CB 3.87Å; L71-W75 HydrophobicContact CD1-CG 4.01Å; L71-W75 HydrophobicContact CD2-CD2 4.23Å; L71-W75 HydrophobicContact CD2-CG 3.96Å; L71-W75 HydrophobicContact CG-CB 4.11Å; L71-W75 HydrophobicContact CG-CG 3.9Å; P72-W75 VanDerWaalsContact O-CB 3.31Å; P72-W75 WeakPolarHBondContact O-CB 3.31Å; P72-W75 PolarHBondContact O-N 3.37Å; W75-N77 PolarHBondContact O-N 3.42Å; W75-H78 PolarHBondContact O-N 3.37Å; W75-L81 HydrophobicContact CB-CD2 3.71Å
76E86.1Confident85.5Confident93 Ų9373.2 Ų73.244%0.43539%0.39SS..THydrogen-bonded Turntrans-62.3-26.4177.9-70.3-165.4-162.500114.4K43 Q74K43-E76 WeakPolarHBondContact CE-O 3.26Å; K43-E76 PolarHBondContact NZ-O 3.21Å; Q74-E76 PolarHBondContact O-N 2.91Å
77N83.8Confident86.2Confident128 Ų12872 Ų7268%0.68437%0.37SS*.THydrogen-bonded Turntrans-107.7-11.7-175.6-65.2-27.9000112.8Q74 W75 E79Q74-N77 PolarHBondContact O-N 2.94Å; W75-N77 PolarHBondContact O-N 3.42Å; N77-E79 PolarHBondContact O-N 2.97Å; N77-E79 VanDerWaalsContact O-N 3.12Å
78H85Confident86.5Confident91 Ų9170.9 Ų70.942%0.42136%0.364SS..  trans-81.688.4175.3-78.6-76.4000111.2Q74 W75 P80 L81 L82Q74-H78 PolarHBondContact O-CD2 2.97Å; W75-H78 PolarHBondContact O-N 3.37Å; H78-P80 VanDerWaalsContact C-CD 3.45Å; H78-L81 HydrophobicContact CB-CB 3.98Å; H78-L81 PolarHBondContact O-N 3Å; H78-L81 VanDerWaalsContact O-N 3.13Å; H78-L82 PolarHBondContact O-N 3.44Å
79E85.4Confident86.9Confident101 Ų10168.7 Ų68.747%0.47235%0.35SS..Hα-helixtrans-48.8-43.6172.4-163.4-176.6150.900115.1F37 N77 L81 L82 R83F37-E79 HydrophobicContact CZ-CG 4.49Å; N77-E79 PolarHBondContact O-N 2.97Å; N77-E79 VanDerWaalsContact O-N 3.12Å; E79-L81 VanDerWaalsContact C-N 3.34Å; E79-L81 PolarHBondContact O-N 2.95Å; E79-L82 PolarHBondContact O-N 2.95Å; E79-R83 WeakPolarHBondContact O-CG 3.25Å; E79-R83 PolarHBondContact O-N 3.35Å; E79-R83 IonicContact OE1-CZ 3.2Å; E79-R83 VanDerWaalsContact OE1-CZ 3.22Å; E79-R83 IonicContact OE1-NE 2.73Å; E79-R83 PolarHBondContact OE1-NE 2.91Å; E79-R83 IonicContact OE1-NH2 2.77Å; E79-R83 PolarHBondContact OE1-NH2 3.2Å
80P86.7Confident87.3Confident88 Ų8863.7 Ų63.757%0.57133%0.327SS*.Hα-helixtrans-62.8-39.317823.2-34000112.5H78 R83 S84H78-P80 VanDerWaalsContact C-CD 3.45Å; P80-R83 PolarHBondContact O-N 2.96Å; P80-S84 PolarHBondContact O-N 3.4Å; P80-S84 PolarHBondContact O-OG 3.35Å
81L88.9Confident87.7Confident20 Ų2060.7 Ų60.711%0.10531%0.305CS..Hα-helixtrans-65.6-41.8175.9178.862.8000111.3P68 L71 P72 W75 H78 E79 R83 S84 I85P68-L81 HydrophobicContact CG-CD1 3.77Å; L71-L81 HydrophobicContact CD1-CD2 4.46Å; P72-L81 HydrophobicContact CG-CD2 4.28Å; W75-L81 HydrophobicContact CB-CD2 3.71Å; H78-L81 HydrophobicContact CB-CB 3.98Å; H78-L81 PolarHBondContact O-N 3Å; H78-L81 VanDerWaalsContact O-N 3.13Å; E79-L81 VanDerWaalsContact C-N 3.34Å; E79-L81 PolarHBondContact O-N 2.95Å; L81-R83 VanDerWaalsContact C-N 3.27Å; L81-R83 PolarHBondContact O-N 3.4Å; L81-S84 PolarHBondContact O-N 3.45Å; L81-I85 HydrophobicContact CD1-CD1 4.11Å; L81-I85 HydrophobicContact CD1-CG1 4.34Å; L81-I85 HydrophobicContact CG-CD1 3.88Å; L81-I85 HydrophobicContact CG-CG1 4.5Å; L81-I85 WeakPolarHBondContact O-CB 3.41Å; L81-I85 VanDerWaalsContact O-CG1 3.27Å; L81-I85 WeakPolarHBondContact O-CG1 3.26Å; L81-I85 PolarHBondContact O-N 2.9Å
82L90.8Very high87.9Confident6 Ų658.1 Ų58.13%0.03129%0.292CS..Hα-helixtrans-60-37.5173.8-75.8160.7000111.7F37 L42 H78 E79 I85 H86F37-L82 HydrophobicContact CE2-CB 4.17Å; F37-L82 HydrophobicContact CZ-CB 4.03Å; L42-L82 HydrophobicContact CB-CD2 3.73Å; L42-L82 HydrophobicContact CD1-CB 4.23Å; L42-L82 HydrophobicContact CD1-CD2 3.96Å; L42-L82 WeakPolarHBondContact CD1-O 3.43Å; H78-L82 PolarHBondContact O-N 3.44Å; E79-L82 PolarHBondContact O-N 2.95Å; L82-I85 PolarHBondContact O-N 3.49Å; L82-H86 WeakPolarHBondContact O-CB 3.5Å; L82-H86 PolarHBondContact O-N 2.93Å
83R91Very high88.3Confident126 Ų12657.9 Ų57.948%0.47529%0.286SS..Hα-helixtrans-68.3-42.3175.4-70.9172.7178.5-82.81.8112.2F37 E79 P80 L81 I85 H86 Q87F37-R83 HydrophobicContact CD2-CG 4.18Å; F37-R83 HydrophobicContact CE1-CG 4.37Å; F37-R83 HydrophobicContact CE2-CB 4.48Å; F37-R83 HydrophobicContact CE2-CG 3.74Å; F37-R83 HydrophobicContact CZ-CG 3.84Å; E79-R83 WeakPolarHBondContact O-CG 3.25Å; E79-R83 PolarHBondContact O-N 3.35Å; E79-R83 IonicContact OE1-CZ 3.2Å; E79-R83 VanDerWaalsContact OE1-CZ 3.22Å; E79-R83 IonicContact OE1-NE 2.73Å; E79-R83 PolarHBondContact OE1-NE 2.91Å; E79-R83 IonicContact OE1-NH2 2.77Å; E79-R83 PolarHBondContact OE1-NH2 3.2Å; P80-R83 PolarHBondContact O-N 2.96Å; L81-R83 VanDerWaalsContact C-N 3.27Å; L81-R83 PolarHBondContact O-N 3.4Å; R83-I85 VanDerWaalsContact C-N 3.34Å; R83-I85 PolarHBondContact O-N 2.83Å; R83-H86 WeakPolarHBondContact O-CB 3.36Å; R83-H86 PolarHBondContact O-N 3.38Å; R83-Q87 PolarHBondContact O-N 3.15Å
84S89.3Confident88.7Confident36 Ų3650.3 Ų50.325%0.25225%0.245SC..Hα-helixtrans-63-38.6173-56.10000112.7P80 L81 A88P80-S84 PolarHBondContact O-N 3.4Å; P80-S84 PolarHBondContact O-OG 3.35Å; L81-S84 PolarHBondContact O-N 3.45Å; S84-A88 WeakPolarHBondContact O-CB 3.45Å; S84-A88 PolarHBondContact O-N 3.16Å
85I91.5Very high89Confident0 Ų048.6 Ų48.60%024%0.237CC..Hα-helixtrans-68.4-37.8174.8-67.6168.9000111.2L42 V46 W51 L67 L81 L82 R83 A88 L89L42-I85 HydrophobicContact CD2-CG2 4.09Å; V46-I85 HydrophobicContact CG2-CD1 4.33Å; V46-I85 HydrophobicContact CG2-CG2 4.18Å; W51-I85 HydrophobicContact CH2-CD1 3.84Å; W51-I85 HydrophobicContact CH2-CG1 3.9Å; W51-I85 HydrophobicContact CZ3-CD1 3.97Å; W51-I85 HydrophobicContact CZ3-CG1 4.15Å; L67-I85 HydrophobicContact CD2-CG1 4.02Å; L81-I85 HydrophobicContact CD1-CD1 4.11Å; L81-I85 HydrophobicContact CD1-CG1 4.34Å; L81-I85 HydrophobicContact CG-CD1 3.88Å; L81-I85 HydrophobicContact CG-CG1 4.5Å; L81-I85 WeakPolarHBondContact O-CB 3.41Å; L81-I85 VanDerWaalsContact O-CG1 3.27Å; L81-I85 WeakPolarHBondContact O-CG1 3.26Å; L81-I85 PolarHBondContact O-N 2.9Å; L82-I85 PolarHBondContact O-N 3.49Å; R83-I85 VanDerWaalsContact C-N 3.34Å; R83-I85 PolarHBondContact O-N 2.83Å; I85-A88 PolarHBondContact O-N 2.75Å; I85-L89 HydrophobicContact CG2-CD1 3.54Å; I85-L89 HydrophobicContact CG2-CG 4.24Å; I85-L89 WeakPolarHBondContact O-CB 3.45Å; I85-L89 WeakPolarHBondContact O-CG 3.32Å; I85-L89 PolarHBondContact O-N 2.89Å
86H92.4Very high89Confident8 Ų852 Ų524%0.03725%0.254CS..Hα-helixtrans-58.4-53.3173-175.568.8000111.1S35 D36 F37 L42 L82 R83 A88 L89 M90 E91S35-H86 PolarHBondContact O-NE2 3.38Å; S35-H86 PolarHBondContact OG-CE1 2.9Å; S35-H86 PolarHBondContact OG-NE2 3.39Å; D36-H86 PolarHBondContact O-CE1 2.95Å; F37-H86 HydrophobicContact CD2-CB 3.81Å; F37-H86 AromaticContact CD2-CG 3.79Å; F37-H86 HydrophobicContact CE2-CB 4.15Å; L42-H86 HydrophobicContact CD1-CB 3.98Å; L82-H86 WeakPolarHBondContact O-CB 3.5Å; L82-H86 PolarHBondContact O-N 2.93Å; R83-H86 WeakPolarHBondContact O-CB 3.36Å; R83-H86 PolarHBondContact O-N 3.38Å; H86-A88 VanDerWaalsContact C-N 3.34Å; H86-A88 PolarHBondContact O-N 2.88Å; H86-L89 PolarHBondContact O-N 3.35Å; H86-M90 WeakPolarHBondContact O-CA 3.28Å; H86-M90 WeakPolarHBondContact O-CB 3.45Å; H86-M90 PolarHBondContact O-N 3.27Å; H86-E91 IonicContact CD2-OE1 2.68Å; H86-E91 PolarHBondContact CD2-OE1 3.26Å; H86-E91 VanDerWaalsContact CD2-OE1 3.22Å; H86-E91 IonicContact NE2-OE1 3.79Å
87Q91.3Very high88.8Confident60 Ų6049.8 Ų49.828%0.2825%0.252SS..Iπ-helixtrans-55.9-47.8178.3-178.6171.143.900111.6V65 R83 L89 E91 I92V65-Q87 HydrophobicContact CG1-CG 4.47Å; V65-Q87 HydrophobicContact CG2-CG 3.93Å; R83-Q87 PolarHBondContact O-N 3.15Å; Q87-L89 PolarHBondContact O-N 3.41Å; Q87-E91 WeakPolarHBondContact CG-OE2 3.4Å; Q87-E91 PolarHBondContact O-N 2.73Å; Q87-I92 PolarHBondContact O-N 2.94Å
88A91.5Very high88.8Confident0 Ų046.2 Ų46.20%024%0.237CC..Iπ-helixtrans-57.1-49.9175.400000113L3 V65 L67 S84 I85 H86L3-A88 WeakPolarHBondContact CB-O 3.3Å; L3-A88 WeakPolarHBondContact CD1-O 3.29Å; V65-A88 HydrophobicContact CG1-CB 4.22Å; L67-A88 HydrophobicContact CD1-CB 3.98Å; L67-A88 HydrophobicContact CD2-CB 4.45Å; S84-A88 WeakPolarHBondContact O-CB 3.45Å; S84-A88 PolarHBondContact O-N 3.16Å; I85-A88 PolarHBondContact O-N 2.75Å; H86-A88 VanDerWaalsContact C-N 3.34Å; H86-A88 PolarHBondContact O-N 2.88Å
89L92.1Very high88.3Confident0 Ų044.7 Ų44.70%024%0.236CC..Iπ-helixtrans-85-33.9-170.1-68.8173.7000114.5L4 L42 L49 L54 I85 H86 Q87L4-L89 HydrophobicContact CB-CB 4.34Å; L4-L89 HydrophobicContact CB-CD2 4.24Å; L4-L89 HydrophobicContact CD1-CD1 4.42Å; L4-L89 HydrophobicContact CD1-CD2 4.06Å; L4-L89 PolarHBondContact N-O 3.2Å; L42-L89 HydrophobicContact CD2-CD1 4.05Å; L49-L89 HydrophobicContact CD1-CD1 3.54Å; L49-L89 HydrophobicContact CD1-CD2 4.01Å; L49-L89 HydrophobicContact CD1-CG 4.41Å; L49-L89 HydrophobicContact CD2-CD2 4.44Å; L54-L89 HydrophobicContact CD1-CD2 3.62Å; L54-L89 HydrophobicContact CD2-CD2 4.04Å; L54-L89 HydrophobicContact CG-CD2 4.5Å; I85-L89 HydrophobicContact CG2-CD1 3.54Å; I85-L89 HydrophobicContact CG2-CG 4.24Å; I85-L89 WeakPolarHBondContact O-CB 3.45Å; I85-L89 WeakPolarHBondContact O-CG 3.32Å; I85-L89 PolarHBondContact O-N 2.89Å; H86-L89 PolarHBondContact O-N 3.35Å; Q87-L89 PolarHBondContact O-N 3.41Å
90M90.8Very high87.7Confident30 Ų3044.3 Ų44.315%0.14823%0.233CC..Iπ-helixtrans-116-29.6-165.1-61.7-77.682.300114.2K2 L4 S35 F41 H86K2-M90 HydrophobicContact CD-CE 4.09Å; K2-M90 WeakPolarHBondContact CD-O 3.44Å; K2-M90 WeakPolarHBondContact CE-O 3.42Å; K2-M90 PolarHBondContact NZ-O 2.86Å; L4-M90 HydrophobicContact CB-CE 3.7Å; L4-M90 HydrophobicContact CD2-CE 3.42Å; L4-M90 VanDerWaalsContact CD2-CE 3.42Å; L4-M90 HydrophobicContact CG-CE 4.15Å; S35-M90 WeakPolarHBondContact OG-CB 3.39Å; F41-M90 HydrophobicContact CD1-SD 4.48Å; F41-M90 HydrophobicContact CE1-CE 4.38Å; F41-M90 HydrophobicContact CE1-CG 4.42Å; F41-M90 HydrophobicContact CE1-SD 3.7Å; F41-M90 HydrophobicContact CZ-SD 4.28Å; H86-M90 WeakPolarHBondContact O-CA 3.28Å; H86-M90 WeakPolarHBondContact O-CB 3.45Å; H86-M90 PolarHBondContact O-N 3.27Å
91E90.5Very high86.8Confident49 Ų4941.7 Ų41.723%0.22921%0.214CC..Iπ-helixtrans-95.6-22-175.2-60.1177175.600113.5R32 Q33 H86 Q87R32-E91 CarbonylContact C-O 3.57Å; R32-E91 WeakPolarHBondContact CA-O 3.24Å; Q33-E91 PolarHBondContact N-O 2.96Å; Q33-E91 VanDerWaalsContact O-CA 3.28Å; Q33-E91 WeakPolarHBondContact O-CA 3.43Å; H86-E91 IonicContact CD2-OE1 2.68Å; H86-E91 PolarHBondContact CD2-OE1 3.26Å; H86-E91 VanDerWaalsContact CD2-OE1 3.22Å; H86-E91 IonicContact NE2-OE1 3.79Å; Q87-E91 WeakPolarHBondContact CG-OE2 3.4Å; Q87-E91 PolarHBondContact O-N 2.73Å
92I90.7Very high85.3Confident2 Ų246.9 Ų46.91%0.0124%0.238CC..EExtended strand (participates in β ladder)trans-88.7114176.5-70.9157.4000110.5K2 L3 V30 V61 A62 V65 Q87K2-I92 WeakPolarHBondContact CA-O 3.24Å; L3-I92 HydrophobicContact CD1-CG2 4.17Å; L3-I92 HydrophobicContact CD2-CG2 4.44Å; L3-I92 HydrophobicContact CG-CB 4.42Å; L3-I92 HydrophobicContact CG-CG2 3.98Å; V30-I92 HydrophobicContact CG1-CG2 3.98Å; V61-I92 HydrophobicContact CG1-CG2 3.53Å; A62-I92 HydrophobicContact CB-CD1 3.32Å; A62-I92 HydrophobicContact CB-CG1 4.18Å; V65-I92 HydrophobicContact CG2-CD1 3.92Å; Q87-I92 PolarHBondContact O-N 2.94Å
93E90Very high83Confident50 Ų5052.5 Ų52.523%0.23427%0.267CS..EExtended strand (participates in β ladder)trans-109.7114175.1177.9103.7-104.200109.6M1 T31M1-E93 VanDerWaalsContact CA-OE1 3.31Å; M1-E93 WeakPolarHBondContact CA-OE1 3.43Å; M1-E93 PolarHBondContact N-OE1 3.03Å; T31-E93 PolarHBondContact N-O 3.47Å; T31-E93 PolarHBondContact O-N 2.86Å; T31-E93 VanDerWaalsContact O-O 3.12Å
94V89.4Confident80.5Confident4 Ų456 Ų562%0.02429%0.286CS..EExtended strand (participates in β ladder)trans-84.5112.1172.8-179.80000109.2M1 L3 L25 A27 V61 A97M1-V94 PolarHBondContact N-O 3.4Å; M1-V94 PolarHBondContact O-N 2.98Å; L3-V94 HydrophobicContact CD2-CG2 4.14Å; L25-V94 HydrophobicContact CD2-CG2 4.48Å; A27-V94 HydrophobicContact CB-CG1 3.82Å; A27-V94 HydrophobicContact CB-CG2 4.48Å; V61-V94 HydrophobicContact CG1-CG2 3.67Å; V61-V94 HydrophobicContact CG2-CG2 4.17Å; V94-A97 HydrophobicContact CG1-CB 3.49Å; V94-A97 VanDerWaalsContact CG1-CB 3.49Å
95E87.2Confident77.6Confident96 Ų9660 Ų6045%0.44931%0.311SS..EExtended strand (participates in β ladder)trans-81-45.6179-72.3-173.6-165.400111.6K29 T31K29-E95 HydrophobicContact CB-CB 4.3Å; K29-E95 HydrophobicContact CD-CB 4.15Å; K29-E95 WeakPolarHBondContact CD-OE2 3.15Å; K29-E95 WeakPolarHBondContact CE-OE2 3.39Å; K29-E95 HydrophobicContact CG-CB 4.29Å; K29-E95 IonicContact NZ-OE2 2.82Å; K29-E95 PolarHBondContact NZ-OE2 2.9Å; K29-E95 PolarHBondContact O-N 3.3Å; T31-E95 WeakPolarHBondContact CB-OE1 3.32Å; T31-E95 PolarHBondContact OG1-OE1 2.95Å
96E84.5Confident74.7Confident103 Ų10363.9 Ų63.948%0.48135%0.351SS..EExtended strand (participates in β ladder)trans-130128.4-178.8-63.9173.6-16300109.8T28 K29T28-E96 PolarHBondContact N-O 3.15Å; K29-E96 HydrophobicContact CB-CB 3.84Å; K29-E96 HydrophobicContact CB-CG 4.12Å; K29-E96 PolarHBondContact N-O 2.87Å; K29-E96 VanDerWaalsContact N-O 3.14Å; K29-E96 PolarHBondContact O-N 2.88Å
97A82.1Confident71.7Confident48 Ų4868.7 Ų68.740%0.39739%0.392SS..EExtended strand (participates in β ladder)trans-156.8155.1177.600000113.8L25 I26 A27 V94L25-A97 HydrophobicContact CD1-CB 3.75Å; I26-A97 CarbonylContact O-C 3.58Å; I26-A97 VanDerWaalsContact O-CA 3.23Å; I26-A97 WeakPolarHBondContact O-CA 3.38Å; I26-A97 WeakPolarHBondContact O-CB 3.29Å; A27-A97 HydrophobicContact CB-CB 4.39Å; V94-A97 HydrophobicContact CG1-CB 3.49Å; V94-A97 VanDerWaalsContact CG1-CB 3.49Å
98S83Confident68.7Low52 Ų5270.3 Ų70.336%0.36442%0.416SS..EExtended strand (participates in β ladder)trans-101.5119.3164.9-1690000109.6I26I26-S98 PolarHBondContact N-O 3.26Å; I26-S98 PolarHBondContact O-N 3.5Å
99C76Confident65.9Low60 Ų6078.2 Ų78.241%0.40546%0.455SS..EExtended strand (participates in β ladder)trans-97.9112.8170.1-72.40000109.2K24K24-C99 WeakPolarHBondContact O-CA 3.38Å
100K72.9Confident63Low93 Ų9385.3 Ų85.340%0.40449%0.488SS..EExtended strand (participates in β ladder)trans-105.4138.5178.7-66.9-178.3-179.8176.90111.1K24 I26K24-K100 WeakPolarHBondContact CB-O 3.34Å; K24-K100 PolarHBondContact N-O 2.92Å; K24-K100 PolarHBondContact O-N 2.96Å; I26-K100 HydrophobicContact CD1-CD 4.27Å
101N67.2Low60.3Low33 Ų3390.4 Ų90.418%0.17652%0.516CS..  trans-80.7135157.3-78.4-14000108.3S11 L23 L103S11-N101 WeakPolarHBondContact CB-ND2 3.28Å; S11-N101 WeakPolarHBondContact CB-OD1 3.26Å; S11-N101 PolarHBondContact OG-ND2 3.44Å; S11-N101 PolarHBondContact OG-OD1 2.85Å; L23-N101 WeakPolarHBondContact CD2-OD1 3.31Å; N101-L103 HydrophobicContact CB-CD1 4.09Å; N101-L103 PolarHBondContact O-N 3.27Å
102E56.9Low57.7Low129 Ų12995.9 Ų95.960%0.60355%0.546SS*.  trans-69.779.6157.9-66.5-76.9152.100108K24 K104K24-E102 HydrophobicContact CD-CG 4.43Å; K24-E102 WeakPolarHBondContact CD-OE1 3.23Å; K24-E102 WeakPolarHBondContact CE-OE1 3.3Å; K24-E102 IonicContact NZ-OE1 3.68Å; K24-E102 PolarHBondContact NZ-OE1 3.03Å; E102-K104 PolarHBondContact O-N 3.43Å; E102-K104 VanDerWaalsContact O-N 3.08Å
103L41.9Very low55.1Low123 Ų123101 Ų10164%0.64458%0.579SS**  trans-68100.9163.9-84.5120.3000107.5N101 P105N101-L103 HydrophobicContact CB-CD1 4.09Å; N101-L103 PolarHBondContact O-N 3.27Å; L103-P105 WeakPolarHBondContact O-CD 3.5Å
104K39.2Very low52.7Low201 Ų201105.1 Ų105.187%0.87461%0.61SS**  trans-64.5114.6155.1-85-168.6172.1-173.60107.6E102E102-K104 PolarHBondContact O-N 3.43Å; E102-K104 VanDerWaalsContact O-N 3.08Å
105P29.3Very low50.1Low120 Ų120108.8 Ų108.878%0.77965%0.648SS**  trans-79.2144.9174.134.1-31.9000109.6L103L103-P105 WeakPolarHBondContact O-CD 3.5Å
106G29.9Very low47.5Very low80 Ų80108.2 Ų108.283%0.82567%0.669SS**  trans81.595.9162.800000116.6
107A29.8Very low45Very low110 Ų110108.6 Ų108.691%0.90968%0.682SS**  trans-156.556.514600000108.9
108A28.1Very low42.6Very low94 Ų94110.7 Ų110.778%0.77769%0.694SS**  trans-89.2153.4159.200000108.1
109M32.4Very low40.1Very low165 Ų165115.6 Ų115.681%0.81371%0.712SS**  trans76.1115.1-176.8-79.117263.600117.7
110E32Very low37.9Very low149 Ų149119.8 Ų119.870%0.69673%0.725SS**  94.8100.4123.6-150.1154.8-160.300121
111N33.6Very low35.7Very low138 Ų138123.6 Ų123.674%0.73874%0.744SS**  trans50.5116.6137.3-60.8-29.9000122.9
112L35.4Very low33.8Very low164 Ų164125 Ų12586%0.85977%0.767SS**  trans76.2169.6142-112.773000118.3
113P35.7Very low32.5Very low110 Ų110126.1 Ų126.171%0.71478%0.783SS**  -120.7-178-11742.2-23.6000114
114P40.2Very low31.8Very low136 Ų136129.4 Ų129.488%0.88380%0.795SS**  trans-98.3160-145.838.3-38.1000116.7
115G34.4Very low31.2Very low80 Ų80127.4 Ų127.483%0.82579%0.789SS**  trans171.5150.2160.500000113.1
116G34.3Very low31.1Very low85 Ų85133.4 Ų133.488%0.87680%0.796SS**  trans117.293.3165.800000116.1
117S31.1Very low31.1Very low110 Ų110135.4 Ų135.477%0.76978%0.784SS**  trans-71.3153.2170.551.60000114.3
118S30.7Very low30.8Very low93 Ų93136.2 Ų136.265%0.6578%0.778SS**  147.2135.1114-75.80000115.8
119Q31.4Very low31Very low155 Ų155141.4 Ų141.472%0.72478%0.777SS**  trans66.1121.1144.4-68.8173.2-51.700119
120Q29.5Very low30.8Very low148 Ų148137.4 Ų137.469%0.69277%0.77SS**  65.5139.1103.9-70.6174.2-82.800113.5
121E27Very low30.7Very low172 Ų172136.9 Ų136.980%0.80478%0.777SS**  cis-151.5174.515.5-141.6151.5-139.400110.4
122G26.3Very low30.9Very low64 Ų64136.2 Ų136.266%0.6677%0.773SS**  trans-90.4165.7-171.600000115.4
123T30.1Very low30.5Very low151 Ų151136.2 Ų136.293%0.92677%0.768SS**  trans-159155.7145.7-30000110.5
124E26.6Very low30.4Very low192 Ų192135 Ų13590%0.89776%0.76SS**  trans-84.6120.8-170.2-56.5167.9128.200111.3
125E28Very low29.8Very low160 Ų160136.7 Ų136.775%0.74876%0.756SS**  trans-120.7105.2160.3-82.1-146.1148.200111.9Q127E125-Q127 PolarHBondContact O-N 2.93Å; E125-Q127 PolarHBondContact OE2-NE2 3.38Å
126R26.6Very low29.7Very low245 Ų245141.2 Ų141.293%0.92575%0.753SS**  trans-77.367.7174.2-170-175.5-166.1170.45.1110.3
127Q28.9Very low29.7Very low122 Ų122141.3 Ų141.357%0.5774%0.741SS**  trans-84.7122175.8-73.4-169.19.600112.5E125 W129E125-Q127 PolarHBondContact O-N 2.93Å; E125-Q127 PolarHBondContact OE2-NE2 3.38Å; Q127-W129 PolarHBondContact O-N 3.03Å
128T25.6Very low30Very low128 Ų128144.4 Ų144.479%0.78574%0.743SS**  trans-66.7116.8178.446.80000112.1
129W30.3Very low30.9Very low203 Ų203151 Ų15177%0.76975%0.754SS**  trans-108.861.1165.8-65.595.4000110.9Q127 I132Q127-W129 PolarHBondContact O-N 3.03Å; W129-I132 HydrophobicContact CE3-CD1 3.97Å; W129-I132 HydrophobicContact CZ3-CD1 3.78Å
130A29.6Very low31.5Very low80 Ų80151.7 Ų151.766%0.66176%0.757SS**  trans-79.9143.2155.800000108.4
131T29.3Very low33.2Very low138 Ų138149.3 Ų149.385%0.84775%0.748SS**  trans67.960.6169.9-37.60000116.2
132I37.2Very low35.6Very low125 Ų125143.3 Ų143.364%0.64173%0.726SS**  trans-128.5104140.1-59.4-178.9000106.6W129 P134W129-I132 HydrophobicContact CE3-CD1 3.97Å; W129-I132 HydrophobicContact CZ3-CD1 3.78Å; I132-P134 WeakPolarHBondContact O-CD 3.44Å
133E28.1Very low38.1Very low164 Ų164149.1 Ų149.177%0.76673%0.729SS**  trans-68.7115.6163.7-72.9-164.3151.400108.5Q135E133-Q135 PolarHBondContact O-N 3.24Å
134P33.5Very low40.7Very low84 Ų84145.6 Ų145.655%0.54571%0.711SS.*  trans-79.6104.1160.532.5-24.2000106I132 F136I132-P134 WeakPolarHBondContact O-CD 3.44Å; P134-F136 HydrophobicContact CB-CD2 3.91Å; P134-F136 HydrophobicContact CB-CE2 4.02Å; P134-F136 HydrophobicContact CG-CD2 4.25Å; P134-F136 HydrophobicContact CG-CE2 4.49Å; P134-F136 PolarHBondContact O-N 3.38Å
135Q27.8Very low43.6Very low171 Ų171140.2 Ų140.280%0.79969%0.688SS**  trans-62.179.3165.5-73-172.2-5.800109.5E133 S137E133-Q135 PolarHBondContact O-N 3.24Å; Q135-S137 PolarHBondContact O-N 2.88Å
136F32.5Very low46.4Very low175 Ų175135.8 Ų135.877%0.76867%0.669SS**  trans-72.176.6156-84.1-83.1000106.8P134 Q138P134-F136 HydrophobicContact CB-CD2 3.91Å; P134-F136 HydrophobicContact CB-CE2 4.02Å; P134-F136 HydrophobicContact CG-CD2 4.25Å; P134-F136 HydrophobicContact CG-CE2 4.49Å; P134-F136 PolarHBondContact O-N 3.38Å; F136-Q138 PolarHBondContact O-N 2.94Å
137S32.9Very low49.4Very low88 Ų88128.5 Ų128.562%0.61565%0.648SS**  trans-46.3128.4157.445.70000107.4Q135 R139Q135-S137 PolarHBondContact O-N 2.88Å; S137-R139 PolarHBondContact O-N 2.84Å
138Q37.5Very low52.2Low175 Ų175130.9 Ų130.982%0.81865%0.652SS**  trans-53.2109.8165.6-69.6176.2-22.400105.5F136 E140F136-Q138 PolarHBondContact O-N 2.94Å; Q138-E140 PolarHBondContact O-N 3.39Å
139R49.8Very low55.2Low231 Ų231129 Ų12987%0.87264%0.636SS**  trans-71.281.5167.7-75.1-170.5-178.3-176.31.1106S137 L141S137-R139 PolarHBondContact O-N 2.84Å; R139-L141 VanDerWaalsContact C-N 3.35Å; R139-L141 PolarHBondContact O-N 2.72Å
140E44.3Very low58Low169 Ų169122.3 Ų122.379%0.7962%0.616SS**  trans-45.9107.7157.7-65.7-174.7150.700105.9Q138 S142Q138-E140 PolarHBondContact O-N 3.39Å; E140-S142 PolarHBondContact O-N 2.97Å; E140-S142 VanDerWaalsContact O-N 3.11Å
141L64.5Low60.8Low98 Ų98121.7 Ų121.751%0.51361%0.606SS.*  trans-56122.9170.3-81.9159.2000105.6R139 Y143 D145 L146R139-L141 VanDerWaalsContact C-N 3.35Å; R139-L141 PolarHBondContact O-N 2.72Å; L141-Y143 PolarHBondContact O-N 3.24Å; L141-D145 HydrophobicContact CB-CB 4.48Å; L141-D145 HydrophobicContact CD2-CB 3.91Å; L141-L146 HydrophobicContact CB-CB 4.22Å
142S77.3Confident63.8Low46 Ų46118 Ų11832%0.32259%0.586SS.*  trans-50.5145.8177.375.70000108.6E140 S144 D145 L146E140-S142 PolarHBondContact O-N 2.97Å; E140-S142 VanDerWaalsContact O-N 3.11Å; S142-S144 CarbonylContact O-C 3.57Å; S142-S144 PolarHBondContact O-N 2.95Å; S142-S144 PolarHBondContact OG-OG 3.26Å; S142-D145 WeakPolarHBondContact O-CA 3.31Å; S142-D145 PolarHBondContact O-N 3.37Å; S142-D145 PolarHBondContact OG-N 3.07Å; S142-D145 VanDerWaalsContact OG-N 3.08Å; S142-D145 PolarHBondContact OG-OD2 3.28Å; S142-L146 PolarHBondContact O-N 3Å
143Y79Confident66.4Low186 Ų186116 Ų11673%0.72958%0.575SS**Hα-helixtrans-51.9-35.2-178.8178.9-95.7000111.6L141 L147L141-Y143 PolarHBondContact O-N 3.24Å; Y143-L147 HydrophobicContact CE1-CD2 4.33Å; Y143-L147 WeakPolarHBondContact O-CB 3.45Å; Y143-L147 PolarHBondContact O-N 3.5Å
144S84.9Confident69.5Low78 Ų78113.4 Ų113.455%0.54556%0.563SS.*Hα-helixtrans-59.3-48.3168.928.10000114.7S142 R148S142-S144 CarbonylContact O-C 3.57Å; S142-S144 PolarHBondContact O-N 2.95Å; S142-S144 PolarHBondContact OG-OG 3.26Å; S144-R148 WeakPolarHBondContact O-CB 3.27Å; S144-R148 PolarHBondContact O-N 3.38Å
145D87.7Confident72.3Confident79 Ų79111 Ų11142%0.42255%0.554SS.*Hα-helixtrans-70.2-38.4179.5-67.8-50.8000112.2L141 S142 R148 L149L141-D145 HydrophobicContact CB-CB 4.48Å; L141-D145 HydrophobicContact CD2-CB 3.91Å; S142-D145 WeakPolarHBondContact O-CA 3.31Å; S142-D145 PolarHBondContact O-N 3.37Å; S142-D145 PolarHBondContact OG-N 3.07Å; S142-D145 VanDerWaalsContact OG-N 3.08Å; S142-D145 PolarHBondContact OG-OD2 3.28Å; D145-R148 PolarHBondContact O-N 3Å; D145-L149 VanDerWaalsContact O-CB 3.31Å; D145-L149 WeakPolarHBondContact O-CB 3.33Å; D145-L149 PolarHBondContact O-N 2.9Å
146L87.4Confident75.3Confident66 Ų66107.2 Ų107.235%0.34654%0.536SS..Hα-helixtrans-64.8-42.9175-18062.3000111.3L141 S142 L150L141-L146 HydrophobicContact CB-CB 4.22Å; S142-L146 PolarHBondContact O-N 3Å; L146-L150 WeakPolarHBondContact O-CB 3.32Å; L146-L150 PolarHBondContact O-N 3.34Å
147L88.6Confident78.2Confident93 Ų93104 Ų10449%0.48753%0.527SS..Hα-helixtrans-65.8-43.1176.2-175.863.8000111.3Y143 L150 S151Y143-L147 HydrophobicContact CE1-CD2 4.33Å; Y143-L147 WeakPolarHBondContact O-CB 3.45Å; Y143-L147 PolarHBondContact O-N 3.5Å; L147-L150 PolarHBondContact O-N 3.47Å; L147-S151 PolarHBondContact O-N 3.46Å
148R87.4Confident81Confident172 Ų172104.9 Ų104.965%0.64952%0.521SS*.Hα-helixtrans-61.5-47.1175.3178.5175.5144.195.1-3.5111.6S144 D145 L150 S151 C152S144-R148 WeakPolarHBondContact O-CB 3.27Å; S144-R148 PolarHBondContact O-N 3.38Å; D145-R148 PolarHBondContact O-N 3Å; R148-L150 VanDerWaalsContact C-N 3.34Å; R148-L150 PolarHBondContact O-N 2.82Å; R148-S151 PolarHBondContact O-N 3.35Å; R148-S151 PolarHBondContact O-OG 2.82Å; R148-C152 PolarHBondContact O-N 2.88Å; R148-C152 PolarHBondContact O-SG 3.38Å; R148-C152 VanDerWaalsContact O-SG 3.38Å
149L88.7Confident83.7Confident88 Ų8899.5 Ų99.546%0.46151%0.506SS..Hα-helixtrans-60.9-42.6175.5-179.162.2000111.6D145 C152 L153D145-L149 VanDerWaalsContact O-CB 3.31Å; D145-L149 WeakPolarHBondContact O-CB 3.33Å; D145-L149 PolarHBondContact O-N 2.9Å; L149-C152 PolarHBondContact O-N 2.64Å; L149-L153 HydrophobicContact CD1-CD1 4.38Å; L149-L153 HydrophobicContact CD1-CG 4.44Å; L149-L153 HydrophobicContact CG-CD1 4.17Å; L149-L153 WeakPolarHBondContact O-CG 3.38Å; L149-L153 PolarHBondContact O-N 3.09Å
150L90Very high85.7Confident63 Ų6395.5 Ų95.533%0.3349%0.491SS..Hα-helixtrans-62.1-43.3176.8-170.663000111.8L146 L147 R148 C152 L153 E154L146-L150 WeakPolarHBondContact O-CB 3.32Å; L146-L150 PolarHBondContact O-N 3.34Å; L147-L150 PolarHBondContact O-N 3.47Å; R148-L150 VanDerWaalsContact C-N 3.34Å; R148-L150 PolarHBondContact O-N 2.82Å; L150-C152 VanDerWaalsContact C-N 3.34Å; L150-C152 PolarHBondContact O-N 2.98Å; L150-L153 PolarHBondContact O-N 3.05Å; L150-E154 WeakPolarHBondContact O-CB 3.41Å; L150-E154 PolarHBondContact O-N 3.47Å
151S89.3Confident88Confident66 Ų6692.5 Ų92.546%0.46248%0.481SS..Hα-helixtrans-63.5-36.9177.271.80000112.9L147 R148 G155L147-S151 PolarHBondContact O-N 3.46Å; R148-S151 PolarHBondContact O-N 3.35Å; R148-S151 PolarHBondContact O-OG 2.82Å; S151-G155 PolarHBondContact O-N 3.41Å
152C90.9Very high89.4Confident62 Ų6292.1 Ų92.142%0.41948%0.482SS..Hα-helixtrans-65.6-45.3173.2-67.60000111.7R148 L149 L150 E154 G155 E156R148-C152 PolarHBondContact O-N 2.88Å; R148-C152 PolarHBondContact O-SG 3.38Å; R148-C152 VanDerWaalsContact O-SG 3.38Å; L149-C152 PolarHBondContact O-N 2.64Å; L150-C152 VanDerWaalsContact C-N 3.34Å; L150-C152 PolarHBondContact O-N 2.98Å; C152-E154 VanDerWaalsContact C-N 3.34Å; C152-E154 PolarHBondContact O-N 3.34Å; C152-G155 PolarHBondContact O-N 3.37Å; C152-E156 PolarHBondContact O-N 3.22Å
153L92.9Very high90.1Very high81 Ų8194.7 Ų94.742%0.42449%0.492SS..Hα-helixtrans-67-34.9179.5-69.4172.8000112.4L149 L150 L157L149-L153 HydrophobicContact CD1-CD1 4.38Å; L149-L153 HydrophobicContact CD1-CG 4.44Å; L149-L153 HydrophobicContact CG-CD1 4.17Å; L149-L153 WeakPolarHBondContact O-CG 3.38Å; L149-L153 PolarHBondContact O-N 3.09Å; L150-L153 PolarHBondContact O-N 3.05Å; L153-L157 WeakPolarHBondContact O-CG 3.43Å; L153-L157 PolarHBondContact O-N 3.32Å
154E92.4Very high90.7Very high110 Ų11089.5 Ų89.551%0.51448%0.476SS..Hα-helixtrans-64.5-47.4171.6-177.5173.7-179.900111.2L150 C152 E156 L157 Q158L150-E154 WeakPolarHBondContact O-CB 3.41Å; L150-E154 PolarHBondContact O-N 3.47Å; C152-E154 VanDerWaalsContact C-N 3.34Å; C152-E154 PolarHBondContact O-N 3.34Å; E154-E156 VanDerWaalsContact C-N 3.35Å; E154-E156 PolarHBondContact O-N 3.47Å; E154-L157 PolarHBondContact O-N 2.88Å; E154-Q158 VanDerWaalsContact O-CG 3.32Å; E154-Q158 WeakPolarHBondContact O-CG 3.47Å; E154-Q158 PolarHBondContact O-N 3.41Å; E154-Q158 PolarHBondContact OE1-NE2 2.89Å
155G92.7Very high91.1Very high33 Ų3388.5 Ų88.534%0.3447%0.472SS..Hα-helixtrans-61.3-3917500000113.3S151 C152 A159S151-G155 PolarHBondContact O-N 3.41Å; C152-G155 PolarHBondContact O-N 3.37Å; G155-A159 VanDerWaalsContact O-CB 3.28Å; G155-A159 WeakPolarHBondContact O-CB 3.42Å; G155-A159 PolarHBondContact O-N 3.12Å
156E91.1Very high91.3Very high92 Ų9289.9 Ų89.943%0.4348%0.479SS..Hα-helixtrans-64.1-41.4173.6-82.4-169.3-138.500112.7C152 E154 R160C152-E156 PolarHBondContact O-N 3.22Å; E154-E156 VanDerWaalsContact C-N 3.35Å; E154-E156 PolarHBondContact O-N 3.47Å; E156-R160 WeakPolarHBondContact O-CB 3.26Å; E156-R160 WeakPolarHBondContact O-CG 3.37Å; E156-R160 PolarHBondContact O-N 3.11Å; E156-R160 IonicContact OE2-CZ 3.57Å; E156-R160 IonicContact OE2-NH2 2.66Å; E156-R160 PolarHBondContact OE2-NH2 3.45Å
157L92.5Very high91.6Very high109 Ų10991.2 Ų91.257%0.57149%0.486SS*.Hα-helixtrans-65-47.8175.9-80.9166.8000111.1L153 E154 A159 R160 D161L153-L157 WeakPolarHBondContact O-CG 3.43Å; L153-L157 PolarHBondContact O-N 3.32Å; E154-L157 PolarHBondContact O-N 2.88Å; L157-A159 VanDerWaalsContact C-N 3.34Å; L157-A159 PolarHBondContact O-N 3.06Å; L157-R160 PolarHBondContact O-N 2.88Å; L157-D161 PolarHBondContact O-N 3.14Å
158Q93Very high91.8Very high106 Ų10693.7 Ų93.750%0.49549%0.492SS..Hα-helixtrans-59.2-43.4176.6-69.3175.38.900111.7E154 R160 D161 V162E154-Q158 VanDerWaalsContact O-CG 3.32Å; E154-Q158 WeakPolarHBondContact O-CG 3.47Å; E154-Q158 PolarHBondContact O-N 3.41Å; E154-Q158 PolarHBondContact OE1-NE2 2.89Å; Q158-R160 PolarHBondContact O-N 3.16Å; Q158-D161 PolarHBondContact O-N 3.04Å; Q158-V162 WeakPolarHBondContact O-CG2 3.32Å; Q158-V162 PolarHBondContact O-N 3.4Å
159A92.6Very high92Very high62 Ų6288.3 Ų88.351%0.51249%0.485SS..Hα-helixtrans-64.1-38.7176.500000112.7G155 L157 V162 L163G155-A159 VanDerWaalsContact O-CB 3.28Å; G155-A159 WeakPolarHBondContact O-CB 3.42Å; G155-A159 PolarHBondContact O-N 3.12Å; L157-A159 VanDerWaalsContact C-N 3.34Å; L157-A159 PolarHBondContact O-N 3.06Å; A159-V162 PolarHBondContact O-N 2.95Å; A159-L163 WeakPolarHBondContact O-CB 3.49Å; A159-L163 PolarHBondContact O-N 3.42Å
160R93.2Very high91.9Very high147 Ų14789.4 Ų89.456%0.55549%0.488SS*.Hα-helixtrans-65-42.5174-72.3171.1-162.1-152.410.1111.5E156 L157 Q158 L163 I164E156-R160 WeakPolarHBondContact O-CB 3.26Å; E156-R160 WeakPolarHBondContact O-CG 3.37Å; E156-R160 PolarHBondContact O-N 3.11Å; E156-R160 IonicContact OE2-CZ 3.57Å; E156-R160 IonicContact OE2-NH2 2.66Å; E156-R160 PolarHBondContact OE2-NH2 3.45Å; L157-R160 PolarHBondContact O-N 2.88Å; Q158-R160 PolarHBondContact O-N 3.16Å; R160-L163 PolarHBondContact O-N 2.93Å; R160-I164 WeakPolarHBondContact O-CB 3.36Å; R160-I164 WeakPolarHBondContact O-CD1 3.35Å; R160-I164 WeakPolarHBondContact O-CG1 3.38Å; R160-I164 PolarHBondContact O-N 2.96Å
161D92.9Very high91.7Very high106 Ų10695.1 Ų95.157%0.56751%0.505SS*.Hα-helixtrans-64.2-41.1177.2-77.4-23.9000112L157 Q158 I164 A165L157-D161 PolarHBondContact O-N 3.14Å; Q158-D161 PolarHBondContact O-N 3.04Å; D161-I164 PolarHBondContact O-N 3.47Å; D161-A165 WeakPolarHBondContact O-CB 3.3Å; D161-A165 PolarHBondContact O-N 3.4Å
162V92.7Very high91.5Very high89 Ų8994.7 Ų94.754%0.53951%0.505SS..Hα-helixtrans-62.8-45.5173.2171.70000111.3Q158 A159 I164 A165 L166Q158-V162 WeakPolarHBondContact O-CG2 3.32Å; Q158-V162 PolarHBondContact O-N 3.4Å; A159-V162 PolarHBondContact O-N 2.95Å; V162-I164 PolarHBondContact O-N 3.49Å; V162-A165 WeakPolarHBondContact O-CB 3.48Å; V162-A165 PolarHBondContact O-N 3.42Å; V162-L166 HydrophobicContact CG1-CD1 4.09Å; V162-L166 HydrophobicContact CG1-CG 4.5Å; V162-L166 WeakPolarHBondContact O-CG 3.46Å; V162-L166 PolarHBondContact O-N 2.9Å
163L92.8Very high91Very high101 Ų10199.2 Ų99.253%0.52952%0.518SS..Hα-helixtrans-63.5-40.9176.7-179.862.1000111.9A159 R160 A165 L166 L167A159-L163 WeakPolarHBondContact O-CB 3.49Å; A159-L163 PolarHBondContact O-N 3.42Å; R160-L163 PolarHBondContact O-N 2.93Å; L163-A165 VanDerWaalsContact C-N 3.33Å; L163-A165 PolarHBondContact O-N 3.02Å; L163-L166 PolarHBondContact O-N 3.41Å; L163-L167 HydrophobicContact CD1-CD1 4.2Å; L163-L167 HydrophobicContact CD1-CG 4.21Å; L163-L167 HydrophobicContact CG-CD1 4.01Å; L163-L167 HydrophobicContact CG-CG 4.45Å; L163-L167 WeakPolarHBondContact O-CB 3.4Å; L163-L167 VanDerWaalsContact O-CG 3.31Å; L163-L167 WeakPolarHBondContact O-CG 3.47Å; L163-L167 PolarHBondContact O-N 3Å
164I91.2Very high90.2Very high77 Ų7798.1 Ų98.140%0.39551%0.512SS..Hα-helixtrans-63.8-39.8175-71.4164.2000110.6R160 D161 V162 K168R160-I164 WeakPolarHBondContact O-CB 3.36Å; R160-I164 WeakPolarHBondContact O-CD1 3.35Å; R160-I164 WeakPolarHBondContact O-CG1 3.38Å; R160-I164 PolarHBondContact O-N 2.96Å; D161-I164 PolarHBondContact O-N 3.47Å; V162-I164 PolarHBondContact O-N 3.49Å; I164-K168 HydrophobicContact CG2-CD 3.94Å; I164-K168 HydrophobicContact CG2-CG 4.49Å; I164-K168 VanDerWaalsContact O-CB 3.29Å; I164-K168 WeakPolarHBondContact O-CB 3.47Å; I164-K168 WeakPolarHBondContact O-CG 3.3Å; I164-K168 PolarHBondContact O-N 2.86Å
165A92.6Very high89.5Confident56 Ų5697.5 Ų97.546%0.46351%0.512SS..Hα-helixtrans-64.8-44.2174.900000111.8D161 V162 L163 K168 A169D161-A165 WeakPolarHBondContact O-CB 3.3Å; D161-A165 PolarHBondContact O-N 3.4Å; V162-A165 WeakPolarHBondContact O-CB 3.48Å; V162-A165 PolarHBondContact O-N 3.42Å; L163-A165 VanDerWaalsContact C-N 3.33Å; L163-A165 PolarHBondContact O-N 3.02Å; A165-K168 PolarHBondContact O-N 3.39Å; A165-A169 WeakPolarHBondContact O-CB 3.34Å; A165-A169 PolarHBondContact O-N 2.82Å
166L93.1Very high88.7Confident108 Ų108102 Ų10257%0.56553%0.527SS*.Hα-helixtrans-61.5-48.9175.2-74.2170.6000111.9V162 L163 K168 A169 E170V162-L166 HydrophobicContact CG1-CD1 4.09Å; V162-L166 HydrophobicContact CG1-CG 4.5Å; V162-L166 WeakPolarHBondContact O-CG 3.46Å; V162-L166 PolarHBondContact O-N 2.9Å; L163-L166 PolarHBondContact O-N 3.41Å; L166-K168 VanDerWaalsContact C-N 3.32Å; L166-K168 PolarHBondContact O-N 3.44Å; L166-A169 PolarHBondContact O-N 2.84Å; L166-A169 VanDerWaalsContact O-N 3.14Å; L166-E170 WeakPolarHBondContact O-CB 3.39Å; L166-E170 PolarHBondContact O-N 3.12Å
167L93Very high87.6Confident94 Ų9499 Ų9949%0.49252%0.518SS..Hα-helixtrans-63.9-35.1177.5-71.4171.1000112.3L163 R171L163-L167 HydrophobicContact CD1-CD1 4.2Å; L163-L167 HydrophobicContact CD1-CG 4.21Å; L163-L167 HydrophobicContact CG-CD1 4.01Å; L163-L167 HydrophobicContact CG-CG 4.45Å; L163-L167 WeakPolarHBondContact O-CB 3.4Å; L163-L167 VanDerWaalsContact O-CG 3.31Å; L163-L167 WeakPolarHBondContact O-CG 3.47Å; L163-L167 PolarHBondContact O-N 3Å; L167-R171 WeakPolarHBondContact O-CB 3.33Å; L167-R171 PolarHBondContact O-N 3.35Å
168K93.1Very high86.4Confident145 Ų14597.9 Ų97.963%0.6351%0.51SS*.Hα-helixtrans-66.7-42.6171.7-77.8170.8179.81730111.5I164 A165 L166 R171 A172I164-K168 HydrophobicContact CG2-CD 3.94Å; I164-K168 HydrophobicContact CG2-CG 4.49Å; I164-K168 VanDerWaalsContact O-CB 3.29Å; I164-K168 WeakPolarHBondContact O-CB 3.47Å; I164-K168 WeakPolarHBondContact O-CG 3.3Å; I164-K168 PolarHBondContact O-N 2.86Å; A165-K168 PolarHBondContact O-N 3.39Å; L166-K168 VanDerWaalsContact C-N 3.32Å; L166-K168 PolarHBondContact O-N 3.44Å; K168-R171 PolarHBondContact O-N 3.06Å; K168-A172 WeakPolarHBondContact O-CB 3.48Å; K168-A172 PolarHBondContact O-N 3.32Å
169A90.4Very high85.3Confident59 Ų5997 Ų9749%0.48852%0.521SS..Hα-helixtrans-66.9-42.1177.700000112.1A165 L166 A172 K173A165-A169 WeakPolarHBondContact O-CB 3.34Å; A165-A169 PolarHBondContact O-N 2.82Å; L166-A169 PolarHBondContact O-N 2.84Å; L166-A169 VanDerWaalsContact O-N 3.14Å; A169-A172 PolarHBondContact O-N 3.39Å; A169-K173 WeakPolarHBondContact O-CB 3.47Å; A169-K173 PolarHBondContact O-N 3.44Å
170E87.1Confident84.1Confident111 Ų111103 Ų10352%0.51953%0.53SS..Hα-helixtrans-65.1-43.5174.6-174.1179.3-165.500111.2L166 A172 K173 N174L166-E170 WeakPolarHBondContact O-CB 3.39Å; L166-E170 PolarHBondContact O-N 3.12Å; E170-A172 VanDerWaalsContact C-N 3.32Å; E170-A172 PolarHBondContact O-N 2.85Å; E170-K173 PolarHBondContact O-N 2.89Å; E170-N174 WeakPolarHBondContact O-CB 3.45Å; E170-N174 PolarHBondContact O-N 3.07Å; E170-N174 PolarHBondContact O-ND2 3.31Å
171R87.2Confident82.5Confident184 Ų184102.9 Ų102.969%0.69453%0.531SS*.Hα-helixtrans-62.3-39173.5-171.5172.4-175.9165.31.6111.9L167 K168 N174 L175L167-R171 WeakPolarHBondContact O-CB 3.33Å; L167-R171 PolarHBondContact O-N 3.35Å; K168-R171 PolarHBondContact O-N 3.06Å; R171-N174 PolarHBondContact O-N 2.99Å; R171-L175 HydrophobicContact CG-CD1 4.34Å; R171-L175 WeakPolarHBondContact O-CB 3.48Å; R171-L175 VanDerWaalsContact O-CG 3.27Å; R171-L175 WeakPolarHBondContact O-CG 3.46Å; R171-L175 PolarHBondContact O-N 2.97Å
172A85Confident81.1Confident56 Ų5699.7 Ų99.746%0.46352%0.523SS..Hα-helixtrans-65.8-42173.800000112K168 A169 E170 L175 L176K168-A172 WeakPolarHBondContact O-CB 3.48Å; K168-A172 PolarHBondContact O-N 3.32Å; A169-A172 PolarHBondContact O-N 3.39Å; E170-A172 VanDerWaalsContact C-N 3.32Å; E170-A172 PolarHBondContact O-N 2.85Å; A172-L175 PolarHBondContact O-N 2.93Å; A172-L176 WeakPolarHBondContact O-CB 3.24Å; A172-L176 PolarHBondContact O-N 3.45Å
173K80.5Confident79.4Confident157 Ų157104.6 Ų104.668%0.68353%0.532SS*.Hα-helixtrans-61.8-43.1174.4-173.6-179.1179.8-176.60111.5A169 E170 L176 A177A169-K173 WeakPolarHBondContact O-CB 3.47Å; A169-K173 PolarHBondContact O-N 3.44Å; E170-K173 PolarHBondContact O-N 2.89Å; K173-L176 PolarHBondContact O-N 3.41Å; K173-A177 WeakPolarHBondContact O-CB 3.36Å; K173-A177 PolarHBondContact O-N 3.41Å
174N75.4Confident77.6Confident58 Ų58104 Ų10431%0.3153%0.529SS..Hα-helixtrans-66.1-40.3176.1-75.4-29.6000112E170 R171 A177 Q178E170-N174 WeakPolarHBondContact O-CB 3.45Å; E170-N174 PolarHBondContact O-N 3.07Å; E170-N174 PolarHBondContact O-ND2 3.31Å; R171-N174 PolarHBondContact O-N 2.99Å; N174-A177 PolarHBondContact O-N 3.01Å; N174-Q178 VanDerWaalsContact O-CB 3.31Å; N174-Q178 WeakPolarHBondContact O-CB 3.39Å; N174-Q178 WeakPolarHBondContact O-CG 3.48Å; N174-Q178 PolarHBondContact O-N 3.49Å
175L77.4Confident75.9Confident98 Ų98102.6 Ų102.651%0.51352%0.524SS..Hα-helixtrans-66.1-39.3173.3-73.2169.6000112.3R171 A172 Q178 A179R171-L175 HydrophobicContact CG-CD1 4.34Å; R171-L175 WeakPolarHBondContact O-CB 3.48Å; R171-L175 VanDerWaalsContact O-CG 3.27Å; R171-L175 WeakPolarHBondContact O-CG 3.46Å; R171-L175 PolarHBondContact O-N 2.97Å; A172-L175 PolarHBondContact O-N 2.93Å; L175-Q178 PolarHBondContact O-N 2.9Å; L175-A179 WeakPolarHBondContact O-CB 3.43Å; L175-A179 PolarHBondContact O-N 3.16Å
176L77.1Confident74Confident126 Ų126110.9 Ų110.966%0.6654%0.544SS*.Hα-helixtrans-67.6-40.8176.2-163.593000111.6A172 K173 A179 R180A172-L176 WeakPolarHBondContact O-CB 3.24Å; A172-L176 PolarHBondContact O-N 3.45Å; K173-L176 PolarHBondContact O-N 3.41Å; L176-A179 PolarHBondContact O-N 3.06Å; L176-R180 WeakPolarHBondContact O-CB 3.44Å; L176-R180 PolarHBondContact O-N 3.14Å
177A67.1Low72.3Confident29 Ų29116.7 Ų116.724%0.2456%0.558CS.*Hα-helixtrans-63.6-42173.200000111.2K173 N174 A179 R180 Y181K173-A177 WeakPolarHBondContact O-CB 3.36Å; K173-A177 PolarHBondContact O-N 3.41Å; N174-A177 PolarHBondContact O-N 3.01Å; A177-A179 VanDerWaalsContact C-N 3.32Å; A177-A179 PolarHBondContact O-N 3.12Å; A177-R180 PolarHBondContact O-N 2.95Å; A177-Y181 PolarHBondContact O-N 3.43Å
178Q66.6Low70.7Confident87 Ų87116.5 Ų116.541%0.40756%0.555SS.*Hα-helixtrans-62.3-37.1174.6-77.2170.913.700112.9N174 L175 G182N174-Q178 VanDerWaalsContact O-CB 3.31Å; N174-Q178 WeakPolarHBondContact O-CB 3.39Å; N174-Q178 WeakPolarHBondContact O-CG 3.48Å; N174-Q178 PolarHBondContact O-N 3.49Å; L175-Q178 PolarHBondContact O-N 2.9Å; Q178-G182 VanDerWaalsContact CA-O 3.27Å; Q178-G182 WeakPolarHBondContact CA-O 3.36Å; Q178-G182 CarbonylContact O-C 3.59Å; Q178-G182 VanDerWaalsContact O-CA 3.23Å; Q178-G182 WeakPolarHBondContact O-CA 3.44Å; Q178-G182 PolarHBondContact O-N 2.95Å; Q178-G182 VanDerWaalsContact O-N 3.16Å
179A71.3Confident69.2Low88 Ų88113.8 Ų113.873%0.72755%0.552SS**Hα-helixtrans-73.7-32.2175.800000113.2L175 L176 A177L175-A179 WeakPolarHBondContact O-CB 3.43Å; L175-A179 PolarHBondContact O-N 3.16Å; L176-A179 PolarHBondContact O-N 3.06Å; A177-A179 VanDerWaalsContact C-N 3.32Å; A177-A179 PolarHBondContact O-N 3.12Å
180R66.5Low68Low186 Ų186117.1 Ų117.170%0.70256%0.561SS**Hα-helixtrans-87.1-30.5-176.1-172.4171.9-179.3160.71.7114.2L176 A177L176-R180 WeakPolarHBondContact O-CB 3.44Å; L176-R180 PolarHBondContact O-N 3.14Å; A177-R180 PolarHBondContact O-N 2.95Å
181Y59.4Low67Low146 Ų146115.3 Ų115.357%0.57355%0.554SS**Hα-helixtrans-129.612.3-172.1-56.8-65.9000113.6A177 L184A177-Y181 PolarHBondContact O-N 3.43Å; Y181-L184 VanDerWaalsContact CB-CD1 3.42Å; Y181-L184 HydrophobicContact CD2-CD1 3.96Å; Y181-L184 HydrophobicContact CG-CD1 3.92Å
182G64.1Low66.1Low39 Ų39108.6 Ų108.640%0.40254%0.539SS..SBendtrans67.5-164.7-169.700000112.1Q178 L184Q178-G182 VanDerWaalsContact CA-O 3.27Å; Q178-G182 WeakPolarHBondContact CA-O 3.36Å; Q178-G182 CarbonylContact O-C 3.59Å; Q178-G182 VanDerWaalsContact O-CA 3.23Å; Q178-G182 WeakPolarHBondContact O-CA 3.44Å; Q178-G182 PolarHBondContact O-N 2.95Å; Q178-G182 VanDerWaalsContact O-N 3.16Å; G182-L184 VanDerWaalsContact C-N 3.27Å; G182-L184 PolarHBondContact O-N 2.91Å
183R56.9Low65.3Low192 Ų192113.1 Ų113.173%0.72555%0.548SS*.  trans-71.172.3-172.6-171.2-175.3-111.9-105.1-0.1113.1T185R183-T185 VanDerWaalsContact C-N 3.31Å; R183-T185 HydrophobicContact CG-CG2 4.42Å; R183-T185 PolarHBondContact O-N 3.41Å
184L55.3Low64.8Low87 Ų87114.4 Ų114.446%0.45555%0.549SS..  trans-76.680.1167.1-65.6-174.5000110.6Y181 G182Y181-L184 VanDerWaalsContact CB-CD1 3.42Å; Y181-L184 HydrophobicContact CD2-CD1 3.96Å; Y181-L184 HydrophobicContact CG-CD1 3.92Å; G182-L184 VanDerWaalsContact C-N 3.27Å; G182-L184 PolarHBondContact O-N 2.91Å
185T54.8Low64.5Low48 Ų48119.1 Ų119.129%0.29456%0.562SS.*  trans-76.8121.2156.938.20000108.3R183 R187R183-T185 VanDerWaalsContact C-N 3.31Å; R183-T185 HydrophobicContact CG-CG2 4.42Å; R183-T185 PolarHBondContact O-N 3.41Å; T185-R187 PolarHBondContact O-N 2.86Å
186W52.2Low64.2Low231 Ų231117.3 Ų117.388%0.87555%0.553SS**THydrogen-bonded Turntrans-6730.4178.4-63.799.4000114.5
187R58.3Low63.8Low229 Ų229114.1 Ų114.186%0.86455%0.545SS*.THydrogen-bonded Turntrans-137.3-4.3-172.1-89.1-167.9174.8-146.5-1.1115.7T185 P189T185-R187 PolarHBondContact O-N 2.86Å; R187-P189 WeakPolarHBondContact O-CD 3.39Å
188E58.3Low63.6Low91 Ų91119.3 Ų119.343%0.42557%0.567SS.*  trans-126.382.1-173.7-77.4156.8-142.800111.7L190 N191E188-L190 PolarHBondContact O-N 3.18Å; E188-L190 VanDerWaalsContact O-N 3.13Å; E188-N191 WeakPolarHBondContact CB-ND2 3.24Å; E188-N191 PolarHBondContact O-N 3.27Å; E188-N191 VanDerWaalsContact O-N 3.07Å; E188-N191 PolarHBondContact OE2-ND2 3.04Å
189P63Low63.4Low87 Ų87121.8 Ų121.857%0.56558%0.582SS**Hα-helixtrans-58.1-22.2171.324.2-34000112.7R187 N191 A192 F193R187-P189 WeakPolarHBondContact O-CD 3.39Å; P189-N191 VanDerWaalsContact C-N 3.25Å; P189-N191 PolarHBondContact O-N 3.25Å; P189-A192 WeakPolarHBondContact O-CB 3.26Å; P189-A192 PolarHBondContact O-N 2.97Å; P189-A192 VanDerWaalsContact O-N 3.09Å; P189-F193 WeakPolarHBondContact O-CD2 3.37Å; P189-F193 PolarHBondContact O-N 3.3Å
190L63.8Low62.6Low130 Ų130125.7 Ų125.768%0.68159%0.586SS**Hα-helixtrans-57.7-32.8173-65.6172000113.3E188 A192 R194E188-L190 PolarHBondContact O-N 3.18Å; E188-L190 VanDerWaalsContact O-N 3.13Å; L190-A192 VanDerWaalsContact C-N 3.35Å; L190-R194 WeakPolarHBondContact O-CB 3.41Å; L190-R194 PolarHBondContact O-N 3.39Å
191N66.9Low61.6Low72 Ų72120 Ų12039%0.38558%0.584SS.*Hα-helixtrans-75.3-26.6177.4-65-36000112.1E188 P189 R195E188-N191 WeakPolarHBondContact CB-ND2 3.24Å; E188-N191 PolarHBondContact O-N 3.27Å; E188-N191 VanDerWaalsContact O-N 3.07Å; E188-N191 PolarHBondContact OE2-ND2 3.04Å; P189-N191 VanDerWaalsContact C-N 3.25Å; P189-N191 PolarHBondContact O-N 3.25Å; N191-R195 PolarHBondContact O-N 3.47Å
192A68.3Low61.1Low44 Ų44118.4 Ų118.436%0.36459%0.59SS.*Hα-helixtrans-70.2-52.9169.600000109.9P189 L190 R194 R195 D196P189-A192 WeakPolarHBondContact O-CB 3.26Å; P189-A192 PolarHBondContact O-N 2.97Å; P189-A192 VanDerWaalsContact O-N 3.09Å; L190-A192 VanDerWaalsContact C-N 3.35Å; A192-R194 PolarHBondContact O-N 3.47Å; A192-R194 VanDerWaalsContact O-N 3.16Å; A192-R195 WeakPolarHBondContact O-CB 3.38Å; A192-R195 PolarHBondContact O-N 2.88Å; A192-D196 WeakPolarHBondContact O-CB 3.38Å; A192-D196 PolarHBondContact O-N 3.07Å
193F69.1Low60.4Low150 Ų150124.4 Ų124.466%0.65861%0.613SS**Hα-helixtrans-54.7-36.1175.2-79.6-60.9000113.5P189 D196 A197P189-F193 WeakPolarHBondContact O-CD2 3.37Å; P189-F193 PolarHBondContact O-N 3.3Å; F193-D196 PolarHBondContact O-N 3.25Å; F193-A197 VanDerWaalsContact O-CB 3.27Å; F193-A197 WeakPolarHBondContact O-CB 3.49Å; F193-A197 PolarHBondContact O-N 2.96Å
194R69.6Low60.1Low185 Ų185119.6 Ų119.670%0.69860%0.601SS**Hα-helixtrans-70.4-37.9178.4-152176.4-160.8163.63112.8L190 A192 D196 I198L190-R194 WeakPolarHBondContact O-CB 3.41Å; L190-R194 PolarHBondContact O-N 3.39Å; A192-R194 PolarHBondContact O-N 3.47Å; A192-R194 VanDerWaalsContact O-N 3.16Å; R194-D196 VanDerWaalsContact C-N 3.34Å; R194-I198 WeakPolarHBondContact O-CD1 3.26Å; R194-I198 VanDerWaalsContact O-CG1 3.27Å; R194-I198 WeakPolarHBondContact O-CG1 3.44Å; R194-I198 PolarHBondContact O-N 2.98Å
195R67.9Low60Low156 Ų156122 Ų12259%0.58962%0.615SS**Hα-helixtrans-66-40.4171.3-179-156.765.7179-3.3110.9N191 A192 I198 L199N191-R195 PolarHBondContact O-N 3.47Å; A192-R195 WeakPolarHBondContact O-CB 3.38Å; A192-R195 PolarHBondContact O-N 2.88Å; R195-I198 PolarHBondContact O-N 3.42Å; R195-L199 PolarHBondContact O-N 3.06Å
196D71.6Confident60.3Low60 Ų60126.8 Ų126.832%0.32164%0.638SS.*Hα-helixtrans-72.2-33.9-177.3-58.8-15.2000110.8A192 F193 R194 L199A192-D196 WeakPolarHBondContact O-CB 3.38Å; A192-D196 PolarHBondContact O-N 3.07Å; F193-D196 PolarHBondContact O-N 3.25Å; R194-D196 VanDerWaalsContact C-N 3.34Å; D196-L199 WeakPolarHBondContact O-CB 3.22Å; D196-L199 PolarHBondContact O-N 3.49Å
197A68.6Low60.6Low59 Ų59122.9 Ų122.949%0.48863%0.63SS.*Hα-helixtrans-67.1-32.3171.100000113.6F193 L199 E200F193-A197 VanDerWaalsContact O-CB 3.27Å; F193-A197 WeakPolarHBondContact O-CB 3.49Å; F193-A197 PolarHBondContact O-N 2.96Å; A197-L199 PolarHBondContact O-N 3.49Å; A197-E200 PolarHBondContact O-N 3.06Å; A197-E200 VanDerWaalsContact O-N 3.09Å
198I63.9Low60.6Low139 Ų139114.9 Ų114.971%0.71361%0.613SS**Hα-helixtrans-67.5-19.7173.5-68.8161.7000111.5R194 R195R194-I198 WeakPolarHBondContact O-CD1 3.26Å; R194-I198 VanDerWaalsContact O-CG1 3.27Å; R194-I198 WeakPolarHBondContact O-CG1 3.44Å; R194-I198 PolarHBondContact O-N 2.98Å; R195-I198 PolarHBondContact O-N 3.42Å
199L61Low61Low138 Ų138115.5 Ų115.572%0.72362%0.619SS**THydrogen-bonded Turntrans-87.3-8.4173-67.9165.6000113.1R195 D196 A197R195-L199 PolarHBondContact O-N 3.06Å; D196-L199 WeakPolarHBondContact O-CB 3.22Å; D196-L199 PolarHBondContact O-N 3.49Å; A197-L199 PolarHBondContact O-N 3.49Å
200E55.3Low61.5Low171 Ų171117.3 Ų117.380%0.79962%0.62SS**SBendtrans-10361.5176.3-71.9-168.7147.900112.1A197A197-E200 PolarHBondContact O-N 3.06Å; A197-E200 VanDerWaalsContact O-N 3.09Å
201G45.9Very low62Low65 Ų65116.5 Ų116.567%0.6762%0.616SS**  trans60.492.3149.200000119.4
202T47.7Very low62.4Low113 Ų113116.5 Ų116.569%0.69362%0.616SS**  trans-129.7140.1133.4650000109.1D204T202-D204 WeakPolarHBondContact CB-OD2 3.4Å; T202-D204 PolarHBondContact O-N 3.31Å; T202-D204 PolarHBondContact OG1-OD2 2.99Å
203D50.3Low63Low166 Ų166117.8 Ų117.889%0.88862%0.619SS**  trans-80.149.7-175.2-62.1-60000112.1
204D50Low63.6Low90 Ų90113.6 Ų113.648%0.48161%0.606SS.*  trans-110.755-175-58.2-63.8000111.8T202 D206 E207T202-D204 WeakPolarHBondContact CB-OD2 3.4Å; T202-D204 PolarHBondContact O-N 3.31Å; T202-D204 PolarHBondContact OG1-OD2 2.99Å; D204-D206 PolarHBondContact O-N 2.9Å; D204-D206 VanDerWaalsContact O-N 3.09Å; D204-E207 PolarHBondContact O-N 2.94Å; D204-E207 VanDerWaalsContact O-N 3.14Å
205D54.6Low64.1Low137 Ų137108 Ų10873%0.73359%0.592SS**Hα-helixtrans-54.1-31.1-176.4-75.7-45.1000113.5D209D205-D209 PolarHBondContact O-N 3.12Å
206D59.1Low65Low149 Ų149106.7 Ų106.780%0.79759%0.589SS**Hα-helixtrans-68.9-32.4-179.5-74.5-42.1000113.8D204 H210D204-D206 PolarHBondContact O-N 2.9Å; D204-D206 VanDerWaalsContact O-N 3.09Å; D206-H210 PolarHBondContact O-N 3.47Å
207E59.3Low65.8Low149 Ų149109.3 Ų109.370%0.69660%0.599SS**Hα-helixtrans-75-37.7178.4-71.1-157.6154.900111.3D204 D209 H210 D211D204-E207 PolarHBondContact O-N 2.94Å; D204-E207 VanDerWaalsContact O-N 3.14Å; E207-D209 PolarHBondContact O-N 3.24Å; E207-H210 PolarHBondContact O-N 3.38Å; E207-D211 PolarHBondContact O-N 3.03Å
208A59.4Low66.6Low61 Ų61109.3 Ų109.350%0.50460%0.595SS.*Hα-helixtrans-63.3-41.917800000112.2L212A208-L212 VanDerWaalsContact O-CB 3.28Å; A208-L212 WeakPolarHBondContact O-CB 3.35Å; A208-L212 PolarHBondContact O-N 2.94Å
209D66.3Low67.9Low105 Ų105107.4 Ų107.456%0.56158%0.583SS**Hα-helixtrans-70.9-31.8177-100.45.5000112.6D205 E207 T213D205-D209 PolarHBondContact O-N 3.12Å; E207-D209 PolarHBondContact O-N 3.24Å; D209-T213 VanDerWaalsContact O-CB 3.3Å; D209-T213 WeakPolarHBondContact O-CB 3.32Å; D209-T213 PolarHBondContact O-N 3.4Å; D209-T213 PolarHBondContact O-OG1 3.26Å
210H73.4Confident69.4Low125 Ų125106.3 Ų106.358%0.57958%0.578SS**Hα-helixtrans-67.6-45.4173.2-174.761.3000112.3D206 E207 T213 T214D206-H210 PolarHBondContact O-N 3.47Å; E207-H210 PolarHBondContact O-N 3.38Å; H210-T213 PolarHBondContact O-N 2.96Å; H210-T214 WeakPolarHBondContact O-CB 3.38Å; H210-T214 PolarHBondContact O-N 3.16Å; H210-T214 PolarHBondContact O-OG1 3.07Å
211D74.8Confident71.1Confident112 Ų112101.9 Ų101.960%0.59956%0.559SS**Hα-helixtrans-63.7-43.2175.4-102.87.5000110.9E207 T213 T214 T215E207-D211 PolarHBondContact O-N 3.03Å; D211-T213 PolarHBondContact O-N 3.39Å; D211-T214 PolarHBondContact O-N 2.96Å; D211-T215 VanDerWaalsContact O-CG2 3.28Å; D211-T215 WeakPolarHBondContact O-CG2 3.4Å; D211-T215 PolarHBondContact O-N 3.34Å
212L75.2Confident73.2Confident73 Ų73104.3 Ų104.338%0.38255%0.553SS.*Hα-helixtrans-59.4-48.3175.5-177.760.6000111.5A208 T214 T215 Y216A208-L212 VanDerWaalsContact O-CB 3.28Å; A208-L212 WeakPolarHBondContact O-CB 3.35Å; A208-L212 PolarHBondContact O-N 2.94Å; L212-T214 PolarHBondContact O-N 3.44Å; L212-T215 PolarHBondContact O-N 3.12Å; L212-T215 PolarHBondContact O-OG1 2.79Å; L212-Y216 HydrophobicContact CD1-CD2 4.12Å; L212-Y216 HydrophobicContact CD1-CE2 3.48Å; L212-Y216 VanDerWaalsContact CD1-CE2 3.48Å; L212-Y216 HydrophobicContact CD2-CE2 4.09Å; L212-Y216 HydrophobicContact CG-CD2 4Å; L212-Y216 HydrophobicContact CG-CE2 3.54Å; L212-Y216 WeakPolarHBondContact O-CD2 3.4Å; L212-Y216 PolarHBondContact O-N 3.08Å
213T80.2Confident75.4Confident71 Ų71103.6 Ų103.644%0.43655%0.545SS..Hα-helixtrans-58-46.9175.7-60.70000111.3D209 H210 D211 T215 Y216 E217D209-T213 VanDerWaalsContact O-CB 3.3Å; D209-T213 WeakPolarHBondContact O-CB 3.32Å; D209-T213 PolarHBondContact O-N 3.4Å; D209-T213 PolarHBondContact O-OG1 3.26Å; H210-T213 PolarHBondContact O-N 2.96Å; D211-T213 PolarHBondContact O-N 3.39Å; T213-T215 VanDerWaalsContact C-N 3.31Å; T213-T215 PolarHBondContact O-N 3.23Å; T213-Y216 PolarHBondContact O-N 2.9Å; T213-Y216 VanDerWaalsContact O-N 3.11Å; T213-E217 PolarHBondContact O-N 2.96Å
214T82.1Confident77.5Confident62 Ų62101 Ų10138%0.3853%0.527SS..Hα-helixtrans-61.3-37.1177.7-600000112H210 D211 L212 S218H210-T214 WeakPolarHBondContact O-CB 3.38Å; H210-T214 PolarHBondContact O-N 3.16Å; H210-T214 PolarHBondContact O-OG1 3.07Å; D211-T214 PolarHBondContact O-N 2.96Å; L212-T214 PolarHBondContact O-N 3.44Å; T214-S218 WeakPolarHBondContact O-CB 3.46Å; T214-S218 PolarHBondContact O-N 2.88Å
215T80.6Confident79.6Confident67 Ų67103.6 Ų103.641%0.41153%0.534SS..Hα-helixtrans-67.9-38.9174.170.50000112.3D211 L212 T213 S218 Q219D211-T215 VanDerWaalsContact O-CG2 3.28Å; D211-T215 WeakPolarHBondContact O-CG2 3.4Å; D211-T215 PolarHBondContact O-N 3.34Å; L212-T215 PolarHBondContact O-N 3.12Å; L212-T215 PolarHBondContact O-OG1 2.79Å; T213-T215 VanDerWaalsContact C-N 3.31Å; T213-T215 PolarHBondContact O-N 3.23Å; T215-S218 PolarHBondContact O-N 2.87Å; T215-Q219 VanDerWaalsContact O-CG 3.27Å; T215-Q219 WeakPolarHBondContact O-CG 3.48Å; T215-Q219 PolarHBondContact O-N 2.89Å
216Y85Confident81.6Confident129 Ų129102.6 Ų102.651%0.50653%0.528SS..Hα-helixtrans-67.6-43.2175.4-73.6-51.2000112.3L212 T213 S218 Q219 L220L212-Y216 HydrophobicContact CD1-CD2 4.12Å; L212-Y216 HydrophobicContact CD1-CE2 3.48Å; L212-Y216 VanDerWaalsContact CD1-CE2 3.48Å; L212-Y216 HydrophobicContact CD2-CE2 4.09Å; L212-Y216 HydrophobicContact CG-CD2 4Å; L212-Y216 HydrophobicContact CG-CE2 3.54Å; L212-Y216 WeakPolarHBondContact O-CD2 3.4Å; L212-Y216 PolarHBondContact O-N 3.08Å; T213-Y216 PolarHBondContact O-N 2.9Å; T213-Y216 VanDerWaalsContact O-N 3.11Å; Y216-S218 VanDerWaalsContact C-N 3.31Å; Y216-S218 PolarHBondContact O-N 2.87Å; Y216-Q219 PolarHBondContact O-N 3.31Å; Y216-Q219 VanDerWaalsContact O-N 3.16Å; Y216-L220 WeakPolarHBondContact O-CB 3.38Å; Y216-L220 WeakPolarHBondContact O-CG 3.2Å; Y216-L220 PolarHBondContact O-N 3.26Å
217E89.1Confident83.3Confident114 Ų11499.5 Ų99.553%0.53351%0.511SS..Hα-helixtrans-59.9-41.8173.5-72.1-166.7167.900111.7T213 Q219 L220 N221T213-E217 PolarHBondContact O-N 2.96Å; E217-Q219 PolarHBondContact O-N 3.36Å; E217-L220 PolarHBondContact O-N 3.5Å; E217-N221 VanDerWaalsContact O-CB 3.29Å; E217-N221 WeakPolarHBondContact O-CB 3.33Å; E217-N221 PolarHBondContact O-N 2.82Å; E217-N221 PolarHBondContact O-ND2 3.1Å
218S86Confident85Confident59 Ų5994.9 Ų94.941%0.41349%0.491SS..Hα-helixtrans-61.7-41.5174.5-176.50000112.1T214 T215 Y216 Q222T214-S218 WeakPolarHBondContact O-CB 3.46Å; T214-S218 PolarHBondContact O-N 2.88Å; T215-S218 PolarHBondContact O-N 2.87Å; Y216-S218 VanDerWaalsContact C-N 3.31Å; Y216-S218 PolarHBondContact O-N 2.87Å; S218-Q222 VanDerWaalsContact O-CG 3.23Å; S218-Q222 WeakPolarHBondContact O-CG 3.46Å; S218-Q222 PolarHBondContact O-N 3.18Å; S218-Q222 PolarHBondContact O-NE2 3.47Å; S218-Q222 PolarHBondContact OG-NE2 3.05Å
219Q90.9Very high86.6Confident99 Ų9995.5 Ų95.546%0.46349%0.492SS..Hα-helixtrans-66.7-43.4175.8-71.8172.638.800112.2T215 Y216 E217 Q222 L223T215-Q219 VanDerWaalsContact O-CG 3.27Å; T215-Q219 WeakPolarHBondContact O-CG 3.48Å; T215-Q219 PolarHBondContact O-N 2.89Å; Y216-Q219 PolarHBondContact O-N 3.31Å; Y216-Q219 VanDerWaalsContact O-N 3.16Å; E217-Q219 PolarHBondContact O-N 3.36Å; Q219-Q222 WeakPolarHBondContact O-CB 3.38Å; Q219-Q222 PolarHBondContact O-N 3.49Å; Q219-Q222 VanDerWaalsContact O-N 3.16Å; Q219-L223 WeakPolarHBondContact O-CG 3.32Å; Q219-L223 PolarHBondContact O-N 3.11Å
220L92.2Very high88Confident116 Ų11696.7 Ų96.761%0.60749%0.494SS*.Hα-helixtrans-61.4-45.3175.2-72.2171.4000111.3Y216 E217 Q222 L223 E224Y216-L220 WeakPolarHBondContact O-CB 3.38Å; Y216-L220 WeakPolarHBondContact O-CG 3.2Å; Y216-L220 PolarHBondContact O-N 3.26Å; E217-L220 PolarHBondContact O-N 3.5Å; L220-Q222 VanDerWaalsContact C-N 3.27Å; L220-Q222 PolarHBondContact O-N 3.08Å; L220-L223 PolarHBondContact O-N 3.35Å; L220-E224 PolarHBondContact O-N 3.04Å
221N91.4Very high89.1Confident77 Ų7799 Ų9941%0.41250%0.497SS..Hα-helixtrans-59.3-35.5173.6-86.9-72.7000112.8E217 K225E217-N221 VanDerWaalsContact O-CB 3.29Å; E217-N221 WeakPolarHBondContact O-CB 3.33Å; E217-N221 PolarHBondContact O-N 2.82Å; E217-N221 PolarHBondContact O-ND2 3.1Å; N221-K225 WeakPolarHBondContact O-CB 3.48Å; N221-K225 WeakPolarHBondContact O-CD 3.42Å; N221-K225 WeakPolarHBondContact O-CG 3.48Å; N221-K225 PolarHBondContact O-N 3.3Å; N221-K225 VanDerWaalsContact O-N 3.14Å
222Q90.6Very high90.1Very high116 Ų116100.3 Ų100.354%0.54250%0.498SS..Hα-helixtrans-70.7-42.1174.7-72.6169.65300111.9S218 Q219 L220 K225 L226S218-Q222 VanDerWaalsContact O-CG 3.23Å; S218-Q222 WeakPolarHBondContact O-CG 3.46Å; S218-Q222 PolarHBondContact O-N 3.18Å; S218-Q222 PolarHBondContact O-NE2 3.47Å; S218-Q222 PolarHBondContact OG-NE2 3.05Å; Q219-Q222 WeakPolarHBondContact O-CB 3.38Å; Q219-Q222 PolarHBondContact O-N 3.49Å; Q219-Q222 VanDerWaalsContact O-N 3.16Å; L220-Q222 VanDerWaalsContact C-N 3.27Å; L220-Q222 PolarHBondContact O-N 3.08Å; Q222-K225 PolarHBondContact O-N 3.06Å; Q222-L226 WeakPolarHBondContact O-CB 3.34Å; Q222-L226 PolarHBondContact O-N 3.14Å
223L92.9Very high91Very high98 Ų9899 Ų9951%0.51350%0.498SS..Hα-helixtrans-63.9-41.2174.9-71.2173.1000111.8Q219 L220 L226 I227Q219-L223 WeakPolarHBondContact O-CG 3.32Å; Q219-L223 PolarHBondContact O-N 3.11Å; L220-L223 PolarHBondContact O-N 3.35Å; L223-L226 WeakPolarHBondContact O-CB 3.27Å; L223-L226 PolarHBondContact O-N 3.01Å; L223-I227 WeakPolarHBondContact O-CB 3.3Å; L223-I227 VanDerWaalsContact O-CG1 3.28Å; L223-I227 WeakPolarHBondContact O-CG1 3.25Å; L223-I227 PolarHBondContact O-N 3.08Å
224E94.6Very high91.8Very high112 Ų11299.5 Ų99.552%0.52350%0.498SS..Hα-helixtrans-64.9-42.1176.9-155.1-153.4146.800111.5L220 L226 I227 N228L220-E224 PolarHBondContact O-N 3.04Å; E224-L226 VanDerWaalsContact C-N 3.31Å; E224-L226 PolarHBondContact O-N 3.45Å; E224-I227 PolarHBondContact O-N 2.94Å; E224-N228 VanDerWaalsContact O-CB 3.28Å; E224-N228 WeakPolarHBondContact O-CB 3.35Å; E224-N228 PolarHBondContact O-N 3.24Å; E224-N228 PolarHBondContact O-ND2 2.9Å; E224-N228 PolarHBondContact OE1-ND2 3.48Å; E224-N228 VanDerWaalsContact OE1-ND2 3.08Å
225K94.4Very high92.5Very high145 Ų145101 Ų10163%0.6350%0.501SS*.Hα-helixtrans-59.4-40.9172-73.9165.1-171.1167.60111.7N221 Q222 S229N221-K225 WeakPolarHBondContact O-CB 3.48Å; N221-K225 WeakPolarHBondContact O-CD 3.42Å; N221-K225 WeakPolarHBondContact O-CG 3.48Å; N221-K225 PolarHBondContact O-N 3.3Å; N221-K225 VanDerWaalsContact O-N 3.14Å; Q222-K225 PolarHBondContact O-N 3.06Å; K225-S229 VanDerWaalsContact O-CB 3.3Å; K225-S229 WeakPolarHBondContact O-CB 3.18Å; K225-S229 PolarHBondContact O-N 2.9Å
226L95.6Very high93.2Very high115 Ų115105.4 Ų105.460%0.60251%0.509SS*.Hα-helixtrans-65.9-46.5176.4-171.771.7000111.9Q222 L223 E224 N228 S229 Q230Q222-L226 WeakPolarHBondContact O-CB 3.34Å; Q222-L226 PolarHBondContact O-N 3.14Å; L223-L226 WeakPolarHBondContact O-CB 3.27Å; L223-L226 PolarHBondContact O-N 3.01Å; E224-L226 VanDerWaalsContact C-N 3.31Å; E224-L226 PolarHBondContact O-N 3.45Å; L226-N228 PolarHBondContact O-N 3.43Å; L226-S229 WeakPolarHBondContact O-CB 3.36Å; L226-S229 PolarHBondContact O-N 2.76Å; L226-Q230 WeakPolarHBondContact O-CB 3.3Å; L226-Q230 PolarHBondContact O-N 2.87Å
227I95.3Very high93.6Very high85 Ų85102.2 Ų102.244%0.43651%0.506SS..Hα-helixtrans-61.6-45177.3-70.1164.3000110.5L223 E224 S229 Q230 R231L223-I227 WeakPolarHBondContact O-CB 3.3Å; L223-I227 VanDerWaalsContact O-CG1 3.28Å; L223-I227 WeakPolarHBondContact O-CG1 3.25Å; L223-I227 PolarHBondContact O-N 3.08Å; E224-I227 PolarHBondContact O-N 2.94Å; I227-S229 VanDerWaalsContact C-N 3.34Å; I227-S229 PolarHBondContact O-N 3.45Å; I227-Q230 PolarHBondContact O-N 3.2Å; I227-R231 HydrophobicContact CG2-CG 4.45Å; I227-R231 WeakPolarHBondContact O-CB 3.46Å; I227-R231 VanDerWaalsContact O-CG 3.29Å; I227-R231 WeakPolarHBondContact O-CG 3.44Å; I227-R231 PolarHBondContact O-N 3.29Å
228N94.8Very high94Very high52 Ų52102.5 Ų102.528%0.27851%0.505SS..Hα-helixtrans-67.7-33.3177.7-74.6-32.3000112.2E224 L226 K232E224-N228 VanDerWaalsContact O-CB 3.28Å; E224-N228 WeakPolarHBondContact O-CB 3.35Å; E224-N228 PolarHBondContact O-N 3.24Å; E224-N228 PolarHBondContact O-ND2 2.9Å; E224-N228 PolarHBondContact OE1-ND2 3.48Å; E224-N228 VanDerWaalsContact OE1-ND2 3.08Å; L226-N228 PolarHBondContact O-N 3.43Å; N228-K232 WeakPolarHBondContact O-CB 3.44Å; N228-K232 VanDerWaalsContact O-CG 3.27Å; N228-K232 WeakPolarHBondContact O-CG 3.27Å; N228-K232 PolarHBondContact O-N 3Å; N228-K232 VanDerWaalsContact O-N 3.13Å
229S93.4Very high94.5Very high74 Ų74104.6 Ų104.652%0.51751%0.509SS..Hα-helixtrans-64.8-48.5170-170.30000111.7K225 L226 I227 R231 K232 A233K225-S229 VanDerWaalsContact O-CB 3.3Å; K225-S229 WeakPolarHBondContact O-CB 3.18Å; K225-S229 PolarHBondContact O-N 2.9Å; L226-S229 WeakPolarHBondContact O-CB 3.36Å; L226-S229 PolarHBondContact O-N 2.76Å; I227-S229 VanDerWaalsContact C-N 3.34Å; I227-S229 PolarHBondContact O-N 3.45Å; S229-R231 PolarHBondContact O-N 3.48Å; S229-K232 PolarHBondContact O-N 3.46Å; S229-K232 VanDerWaalsContact O-N 3.17Å; S229-A233 PolarHBondContact O-N 2.87Å
230Q95Very high94.8Very high129 Ų129104.7 Ų104.760%0.60351%0.512SS*.Hα-helixtrans-64.3-38.6179.4-175.463.81.100112.4L226 I227 A233 N234L226-Q230 WeakPolarHBondContact O-CB 3.3Å; L226-Q230 PolarHBondContact O-N 2.87Å; I227-Q230 PolarHBondContact O-N 3.2Å; Q230-A233 PolarHBondContact O-N 3.44Å; Q230-N234 VanDerWaalsContact O-CB 3.27Å; Q230-N234 WeakPolarHBondContact O-CB 3.42Å; Q230-N234 PolarHBondContact O-N 3.04Å
231R96.6Very high94.9Very high173 Ų173104.6 Ų104.665%0.65351%0.512SS*.Hα-helixtrans-60.3-46171.9-75.8172.5175.4175.2-2.8111.3I227 S229 N234 Q235I227-R231 HydrophobicContact CG2-CG 4.45Å; I227-R231 WeakPolarHBondContact O-CB 3.46Å; I227-R231 VanDerWaalsContact O-CG 3.29Å; I227-R231 WeakPolarHBondContact O-CG 3.44Å; I227-R231 PolarHBondContact O-N 3.29Å; S229-R231 PolarHBondContact O-N 3.48Å; R231-N234 PolarHBondContact O-N 2.99Å; R231-Q235 WeakPolarHBondContact O-CB 3.42Å; R231-Q235 PolarHBondContact O-N 2.87Å
232K96.3Very high95.2Very high140 Ų140103.6 Ų103.661%0.60951%0.514SS*.Hα-helixtrans-64.5-39.1176.2-73.2170.2-177.9176.60112.4N228 S229 R236N228-K232 WeakPolarHBondContact O-CB 3.44Å; N228-K232 VanDerWaalsContact O-CG 3.27Å; N228-K232 WeakPolarHBondContact O-CG 3.27Å; N228-K232 PolarHBondContact O-N 3Å; N228-K232 VanDerWaalsContact O-N 3.13Å; S229-K232 PolarHBondContact O-N 3.46Å; S229-K232 VanDerWaalsContact O-N 3.17Å; K232-R236 WeakPolarHBondContact O-CG 3.35Å; K232-R236 PolarHBondContact O-N 3.21Å; K232-R236 VanDerWaalsContact O-N 3.11Å
233A94.9Very high95.5Very high47 Ų47102.5 Ų102.539%0.38851%0.51SS..Hα-helixtrans-66.8-45.8176.300000112.2S229 Q230 Q235 R236 S237S229-A233 PolarHBondContact O-N 2.87Å; Q230-A233 PolarHBondContact O-N 3.44Å; A233-Q235 PolarHBondContact O-N 3.17Å; A233-R236 PolarHBondContact O-N 3.08Å; A233-S237 PolarHBondContact O-N 3.2Å
234N96.4Very high95.6Very high81 Ų81100.5 Ų100.543%0.43350%0.501SS..Hα-helixtrans-61.7-42.6176-171.1-14.3000111.4Q230 R231 R236 S237 K238Q230-N234 VanDerWaalsContact O-CB 3.27Å; Q230-N234 WeakPolarHBondContact O-CB 3.42Å; Q230-N234 PolarHBondContact O-N 3.04Å; R231-N234 PolarHBondContact O-N 2.99Å; N234-R236 PolarHBondContact O-N 3.29Å; N234-S237 WeakPolarHBondContact O-CB 3.5Å; N234-S237 PolarHBondContact O-N 2.94Å; N234-K238 WeakPolarHBondContact O-CG 3.49Å; N234-K238 PolarHBondContact O-N 2.74Å; N234-K238 VanDerWaalsContact OD1-CE 3.3Å; N234-K238 WeakPolarHBondContact OD1-CE 3.43Å
235Q96.4Very high95.7Very high94 Ų94101 Ų10144%0.43950%0.504SS..Hα-helixtrans-60-46.9175.6-177.457.426.400112.4R231 A233 S237 K238 E239R231-Q235 WeakPolarHBondContact O-CB 3.42Å; R231-Q235 PolarHBondContact O-N 2.87Å; A233-Q235 PolarHBondContact O-N 3.17Å; Q235-S237 VanDerWaalsContact C-N 3.31Å; Q235-S237 PolarHBondContact O-N 3Å; Q235-K238 PolarHBondContact O-N 3.47Å; Q235-E239 WeakPolarHBondContact CG-OE1 3.3Å; Q235-E239 PolarHBondContact NE2-OE1 3.4Å; Q235-E239 WeakPolarHBondContact O-CG 3.46Å; Q235-E239 PolarHBondContact O-N 2.95Å
236R95.7Very high95.8Very high158 Ų158101 Ų10160%0.59650%0.504SS*.Hα-helixtrans-60.9-38174.3-70.9170.9-177.6173.60.6112.8K232 A233 N234 E239 L240K232-R236 WeakPolarHBondContact O-CG 3.35Å; K232-R236 PolarHBondContact O-N 3.21Å; K232-R236 VanDerWaalsContact O-N 3.11Å; A233-R236 PolarHBondContact O-N 3.08Å; N234-R236 PolarHBondContact O-N 3.29Å; R236-E239 PolarHBondContact O-N 2.66Å; R236-L240 WeakPolarHBondContact O-CB 3.41Å; R236-L240 PolarHBondContact O-N 3.48Å
237S94.3Very high95.8Very high62 Ų62101.6 Ų101.643%0.43450%0.501SS..Hα-helixtrans-63.3-45.1176.2-179.10000111.5A233 N234 Q235 E239 L240 L241A233-S237 PolarHBondContact O-N 3.2Å; N234-S237 WeakPolarHBondContact O-CB 3.5Å; N234-S237 PolarHBondContact O-N 2.94Å; Q235-S237 VanDerWaalsContact C-N 3.31Å; Q235-S237 PolarHBondContact O-N 3Å; S237-E239 PolarHBondContact O-N 3.46Å; S237-L240 PolarHBondContact O-N 2.77Å; S237-L241 WeakPolarHBondContact O-CG 3.37Å; S237-L241 PolarHBondContact O-N 3.29Å
238K96.5Very high95.8Very high120 Ų120103 Ų10352%0.52251%0.506SS..Hα-helixtrans-60.5-44.4174.2-69.6174.8179.1-178.90112.7N234 Q235 L240 L241 A242N234-K238 WeakPolarHBondContact O-CG 3.49Å; N234-K238 PolarHBondContact O-N 2.74Å; N234-K238 VanDerWaalsContact OD1-CE 3.3Å; N234-K238 WeakPolarHBondContact OD1-CE 3.43Å; Q235-K238 PolarHBondContact O-N 3.47Å; K238-L240 VanDerWaalsContact C-N 3.35Å; K238-L241 PolarHBondContact O-N 2.95Å; K238-A242 WeakPolarHBondContact O-CB 3.4Å; K238-A242 PolarHBondContact O-N 3.48Å
239E96.8Very high95.9Very high104 Ų104104.5 Ų104.549%0.48651%0.513SS..Hα-helixtrans-62.5-41177.1-73164.7-170.400112Q235 R236 S237 M243Q235-E239 WeakPolarHBondContact CG-OE1 3.3Å; Q235-E239 PolarHBondContact NE2-OE1 3.4Å; Q235-E239 WeakPolarHBondContact O-CG 3.46Å; Q235-E239 PolarHBondContact O-N 2.95Å; R236-E239 PolarHBondContact O-N 2.66Å; S237-E239 PolarHBondContact O-N 3.46Å; E239-M243 WeakPolarHBondContact O-CB 3.19Å; E239-M243 PolarHBondContact O-N 2.87Å
240L96.5Very high96.1Very high101 Ų101106 Ų10653%0.52951%0.511SS..Hα-helixtrans-66-45.1175.7-177.261.2000111.7R236 S237 K238 A242 M243 V244R236-L240 WeakPolarHBondContact O-CB 3.41Å; R236-L240 PolarHBondContact O-N 3.48Å; S237-L240 PolarHBondContact O-N 2.77Å; K238-L240 VanDerWaalsContact C-N 3.35Å; L240-A242 PolarHBondContact O-N 3.43Å; L240-M243 WeakPolarHBondContact O-CB 3.35Å; L240-M243 PolarHBondContact O-N 3.41Å; L240-V244 HydrophobicContact CD1-CG2 4.29Å; L240-V244 HydrophobicContact CG-CG2 4.48Å; L240-V244 WeakPolarHBondContact O-CB 3.47Å; L240-V244 VanDerWaalsContact O-CG2 3.29Å; L240-V244 WeakPolarHBondContact O-CG2 3.45Å; L240-V244 PolarHBondContact O-N 2.89Å
241L95.8Very high96.1Very high114 Ų114101.7 Ų101.760%0.59750%0.497SS*.Hα-helixtrans-59.4-46.3176.3-73.1170.9000111.5S237 K238 M243 V244 E245S237-L241 WeakPolarHBondContact O-CG 3.37Å; S237-L241 PolarHBondContact O-N 3.29Å; K238-L241 PolarHBondContact O-N 2.95Å; L241-M243 VanDerWaalsContact C-N 3.32Å; L241-M243 PolarHBondContact O-N 3.26Å; L241-V244 PolarHBondContact O-N 2.93Å; L241-E245 WeakPolarHBondContact O-CB 3.35Å; L241-E245 PolarHBondContact O-N 2.88Å
242A96.6Very high96Very high55 Ų5598.7 Ų98.746%0.45549%0.493SS..Hα-helixtrans-63.2-35.2176.400000112.8K238 L240 K246K238-A242 WeakPolarHBondContact O-CB 3.4Å; K238-A242 PolarHBondContact O-N 3.48Å; L240-A242 PolarHBondContact O-N 3.43Å; A242-K246 VanDerWaalsContact O-CB 3.3Å; A242-K246 WeakPolarHBondContact O-CB 3.49Å; A242-K246 PolarHBondContact O-N 3.38Å
243M96.1Very high96Very high94 Ų9498.8 Ų98.846%0.46349%0.49SS..Hα-helixtrans-66.3-43.7173.3-169.5-155.9-57.800111.7E239 L240 L241 K246 K247E239-M243 WeakPolarHBondContact O-CB 3.19Å; E239-M243 PolarHBondContact O-N 2.87Å; L240-M243 WeakPolarHBondContact O-CB 3.35Å; L240-M243 PolarHBondContact O-N 3.41Å; L241-M243 VanDerWaalsContact C-N 3.32Å; L241-M243 PolarHBondContact O-N 3.26Å; M243-K246 PolarHBondContact O-N 3.32Å; M243-K247 WeakPolarHBondContact O-CG 3.17Å; M243-K247 PolarHBondContact O-N 3.47Å; M243-K247 PolarHBondContact SD-NZ 3.44Å
244V96.1Very high96Very high55 Ų55102.5 Ų102.533%0.33350%0.499SS..Hα-helixtrans-66.9-45.3-179.8167.40000110.6L240 L241 K246 K247 H248L240-V244 HydrophobicContact CD1-CG2 4.29Å; L240-V244 HydrophobicContact CG-CG2 4.48Å; L240-V244 WeakPolarHBondContact O-CB 3.47Å; L240-V244 VanDerWaalsContact O-CG2 3.29Å; L240-V244 WeakPolarHBondContact O-CG2 3.45Å; L240-V244 PolarHBondContact O-N 2.89Å; L241-V244 PolarHBondContact O-N 2.93Å; V244-K246 PolarHBondContact O-N 2.94Å; V244-K247 WeakPolarHBondContact O-CB 3.21Å; V244-K247 PolarHBondContact O-N 2.74Å; V244-K247 VanDerWaalsContact O-N 3.14Å; V244-H248 VanDerWaalsContact CG1-CD2 3.43Å; V244-H248 WeakPolarHBondContact CG1-CD2 3.3Å; V244-H248 VanDerWaalsContact CG1-NE2 3.31Å; V244-H248 WeakPolarHBondContact CG1-NE2 3.38Å; V244-H248 PolarHBondContact O-CD2 2.93Å; V244-H248 PolarHBondContact O-N 2.89Å
245E96.2Very high95.9Very high124 Ų124103.5 Ų103.558%0.57950%0.504SS*.Hα-helixtrans-56.7-48.9172.3-175.3-178-174.300111.6L241 K247 H248 L249L241-E245 WeakPolarHBondContact O-CB 3.35Å; L241-E245 PolarHBondContact O-N 2.88Å; E245-K247 VanDerWaalsContact C-N 3.26Å; E245-K247 PolarHBondContact O-N 2.63Å; E245-H248 PolarHBondContact O-N 3.17Å; E245-L249 HydrophobicContact CG-CD1 4.03Å; E245-L249 HydrophobicContact CG-CG 4.46Å; E245-L249 WeakPolarHBondContact O-CB 3.49Å; E245-L249 WeakPolarHBondContact O-CG 3.36Å; E245-L249 PolarHBondContact O-N 3.22Å
246K97.1Very high95.8Very high145 Ų145102.3 Ų102.363%0.6350%0.499SS*.Hα-helixtrans-60.8-32.5177-174.6173.8-177.9174.70112.9A242 M243 V244 K250A242-K246 VanDerWaalsContact O-CB 3.3Å; A242-K246 WeakPolarHBondContact O-CB 3.49Å; A242-K246 PolarHBondContact O-N 3.38Å; M243-K246 PolarHBondContact O-N 3.32Å; V244-K246 PolarHBondContact O-N 2.94Å; K246-K250 WeakPolarHBondContact O-CG 3.26Å; K246-K250 PolarHBondContact O-N 2.93Å
247K95.6Very high95.8Very high126 Ų12699.3 Ų99.355%0.54850%0.498SS..Hα-helixtrans-72.7-47.8173.9-75.1172.6177.2178.70111.5M243 V244 E245 L249 K250 A251M243-K247 WeakPolarHBondContact O-CG 3.17Å; M243-K247 PolarHBondContact O-N 3.47Å; M243-K247 PolarHBondContact SD-NZ 3.44Å; V244-K247 WeakPolarHBondContact O-CB 3.21Å; V244-K247 PolarHBondContact O-N 2.74Å; V244-K247 VanDerWaalsContact O-N 3.14Å; E245-K247 VanDerWaalsContact C-N 3.26Å; E245-K247 PolarHBondContact O-N 2.63Å; K247-L249 VanDerWaalsContact C-N 3.33Å; K247-L249 PolarHBondContact O-N 3.05Å; K247-K250 WeakPolarHBondContact O-CB 3.39Å; K247-K250 PolarHBondContact O-N 3.45Å; K247-A251 PolarHBondContact O-N 3.33Å
248H95.4Very high95.5Very high115 Ų115100.3 Ų100.353%0.53250%0.495SS..Hα-helixtrans-60.9-40.7176.4-70.1-55.3000112.3V244 E245 K250 A251 L252V244-H248 VanDerWaalsContact CG1-CD2 3.43Å; V244-H248 WeakPolarHBondContact CG1-CD2 3.3Å; V244-H248 VanDerWaalsContact CG1-NE2 3.31Å; V244-H248 WeakPolarHBondContact CG1-NE2 3.38Å; V244-H248 PolarHBondContact O-CD2 2.93Å; V244-H248 PolarHBondContact O-N 2.89Å; E245-H248 PolarHBondContact O-N 3.17Å; H248-K250 PolarHBondContact O-N 2.88Å; H248-A251 PolarHBondContact O-N 3.46Å; H248-L252 WeakPolarHBondContact O-CB 3.43Å; H248-L252 VanDerWaalsContact O-CG 3.32Å; H248-L252 WeakPolarHBondContact O-CG 3.43Å; H248-L252 PolarHBondContact O-N 3.46Å
249L96.9Very high95.4Very high83 Ų83101.7 Ų101.744%0.43550%0.497SS..Hα-helixtrans-64.2-25.6174.8-71.8172.4000113.4E245 K247 R253E245-L249 HydrophobicContact CG-CD1 4.03Å; E245-L249 HydrophobicContact CG-CG 4.46Å; E245-L249 WeakPolarHBondContact O-CB 3.49Å; E245-L249 WeakPolarHBondContact O-CG 3.36Å; E245-L249 PolarHBondContact O-N 3.22Å; K247-L249 VanDerWaalsContact C-N 3.33Å; K247-L249 PolarHBondContact O-N 3.05Å; L249-R253 WeakPolarHBondContact O-CG 3.3Å; L249-R253 PolarHBondContact O-N 3.35Å; L249-R253 PolarHBondContact O-NE 3.37Å; L249-R253 PolarHBondContact O-NH2 3.28Å
250K96.9Very high95.2Very high106 Ų106103.8 Ų103.846%0.46150%0.501SS..Hα-helixtrans-73.6-52.4170.1-75.4-179.7172.2-1620110.9K246 K247 H248 L252 R253 E254K246-K250 WeakPolarHBondContact O-CG 3.26Å; K246-K250 PolarHBondContact O-N 2.93Å; K247-K250 WeakPolarHBondContact O-CB 3.39Å; K247-K250 PolarHBondContact O-N 3.45Å; H248-K250 PolarHBondContact O-N 2.88Å; K250-L252 VanDerWaalsContact C-N 3.29Å; K250-L252 PolarHBondContact O-N 3.07Å; K250-R253 WeakPolarHBondContact O-CA 3.49Å; K250-R253 WeakPolarHBondContact O-CB 3.42Å; K250-R253 PolarHBondContact O-N 2.97Å; K250-E254 PolarHBondContact O-N 3.01Å
251A95.1Very high95Very high38 Ų38107 Ų10731%0.31451%0.506SS..Hα-helixtrans-57.1-40.6178.800000112.4K247 H248 R253 E254 L255K247-A251 PolarHBondContact O-N 3.33Å; H248-A251 PolarHBondContact O-N 3.46Å; A251-R253 PolarHBondContact O-N 2.85Å; A251-E254 PolarHBondContact O-N 3.39Å; A251-L255 WeakPolarHBondContact O-CB 3.32Å; A251-L255 VanDerWaalsContact O-CG 3.26Å; A251-L255 WeakPolarHBondContact O-CG 3.29Å; A251-L255 PolarHBondContact O-N 3.39Å
252L94.9Very high94.8Very high110 Ų110108.4 Ų108.458%0.57650%0.503SS*.Hα-helixtrans-64.6-36.6174.5-71.9172.5000112.8H248 K250 E256H248-L252 WeakPolarHBondContact O-CB 3.43Å; H248-L252 VanDerWaalsContact O-CG 3.32Å; H248-L252 WeakPolarHBondContact O-CG 3.43Å; H248-L252 PolarHBondContact O-N 3.46Å; K250-L252 VanDerWaalsContact C-N 3.29Å; K250-L252 PolarHBondContact O-N 3.07Å; L252-E256 WeakPolarHBondContact O-CB 3.3Å; L252-E256 PolarHBondContact O-N 2.98Å
253R95.3Very high94.5Very high143 Ų143112.1 Ų112.154%0.5451%0.509SS..Hα-helixtrans-68.3-40.9174.4-84.2-178.5-88.9104.6-0.2111.9L249 K250 A251 E256 V257L249-R253 WeakPolarHBondContact O-CG 3.3Å; L249-R253 PolarHBondContact O-N 3.35Å; L249-R253 PolarHBondContact O-NE 3.37Å; L249-R253 PolarHBondContact O-NH2 3.28Å; K250-R253 WeakPolarHBondContact O-CA 3.49Å; K250-R253 WeakPolarHBondContact O-CB 3.42Å; K250-R253 PolarHBondContact O-N 2.97Å; A251-R253 PolarHBondContact O-N 2.85Å; R253-E256 PolarHBondContact O-N 3.48Å; R253-V257 WeakPolarHBondContact O-CG2 3.34Å; R253-V257 PolarHBondContact O-N 2.96Å
254E94.6Very high94.3Very high125 Ų125112.6 Ų112.658%0.58451%0.51SS*.Hα-helixtrans-63.5-48.2175.4-71.8152.1-154.100111.1K250 A251 E256 V257 E258K250-E254 PolarHBondContact O-N 3.01Å; A251-E254 PolarHBondContact O-N 3.39Å; E254-E256 PolarHBondContact O-N 3.43Å; E254-V257 PolarHBondContact O-N 3.34Å; E254-E258 WeakPolarHBondContact O-CB 3.45Å; E254-E258 PolarHBondContact O-N 3.17Å
255L95.3Very high94Very high102 Ų102113.2 Ų113.253%0.53451%0.511SS..Hα-helixtrans-62-37176.1-72.5170.7000113.2A251 E258 R259A251-L255 WeakPolarHBondContact O-CB 3.32Å; A251-L255 VanDerWaalsContact O-CG 3.26Å; A251-L255 WeakPolarHBondContact O-CG 3.29Å; A251-L255 PolarHBondContact O-N 3.39Å; L255-E258 PolarHBondContact O-N 2.87Å; L255-R259 WeakPolarHBondContact O-CB 3.47Å; L255-R259 PolarHBondContact O-N 3.25Å
256E94.8Very high93.7Very high69 Ų69109.8 Ų109.832%0.32251%0.505SS..Hα-helixtrans-72.1-36.6176.7178.559.1-162.300112.1L252 R253 E254 R259 R260L252-E256 WeakPolarHBondContact O-CB 3.3Å; L252-E256 PolarHBondContact O-N 2.98Å; R253-E256 PolarHBondContact O-N 3.48Å; E254-E256 PolarHBondContact O-N 3.43Å; E256-R259 PolarHBondContact O-N 3.24Å; E256-R259 WeakPolarHBondContact OE2-CD 3.42Å; E256-R260 VanDerWaalsContact CG-NH2 3.26Å; E256-R260 WeakPolarHBondContact O-CG 3.36Å; E256-R260 PolarHBondContact O-N 2.93Å; E256-R260 IonicContact OE1-CZ 3.46Å; E256-R260 IonicContact OE1-NE 2.72Å; E256-R260 PolarHBondContact OE1-NE 3.27Å; E256-R260 VanDerWaalsContact OE1-NE 3.13Å; E256-R260 IonicContact OE1-NH2 3.15Å; E256-R260 PolarHBondContact OE1-NH2 2.85Å
257V94.4Very high93.4Very high95 Ų95105.3 Ų105.358%0.57650%0.495SS*.Hα-helixtrans-62.1-45.5170.4168.50000110.4R253 E254 R259 R260 R261R253-V257 WeakPolarHBondContact O-CG2 3.34Å; R253-V257 PolarHBondContact O-N 2.96Å; E254-V257 PolarHBondContact O-N 3.34Å; V257-R259 PolarHBondContact O-N 2.96Å; V257-R260 PolarHBondContact O-N 2.87Å; V257-R261 PolarHBondContact O-N 3.46Å
258E88.5Confident93Very high83 Ų83104.2 Ų104.239%0.38849%0.491SS..Hα-helixtrans-68.8-33.8179.9-145.1-166.2-175.200112.5E254 L255 R261 R262E254-E258 WeakPolarHBondContact O-CB 3.45Å; E254-E258 PolarHBondContact O-N 3.17Å; L255-E258 PolarHBondContact O-N 2.87Å; E258-R261 PolarHBondContact O-N 2.85Å; E258-R262 WeakPolarHBondContact O-CG 3.4Å; E258-R262 PolarHBondContact O-N 2.9Å; E258-R262 IonicContact OE1-CZ 3.34Å; E258-R262 IonicContact OE1-NH1 2.7Å; E258-R262 IonicContact OE1-NH2 3.12Å; E258-R262 PolarHBondContact OE1-NH2 3.2Å; E258-R262 IonicContact OE2-CZ 3.25Å; E258-R262 IonicContact OE2-NH1 2.76Å; E258-R262 PolarHBondContact OE2-NH1 2.96Å; E258-R262 IonicContact OE2-NH2 3.13Å; E258-R262 PolarHBondContact OE2-NH2 2.98Å; E258-R262 VanDerWaalsContact OE2-NH2 3.12Å
259R94.8Very high92.7Very high149 Ų149100.5 Ų100.556%0.56248%0.484SS*.Hα-helixtrans-63.8-39170.7179.6179.1172.392.6-5.7111.8L255 E256 V257 K263L255-R259 WeakPolarHBondContact O-CB 3.47Å; L255-R259 PolarHBondContact O-N 3.25Å; E256-R259 PolarHBondContact O-N 3.24Å; E256-R259 WeakPolarHBondContact OE2-CD 3.42Å; V257-R259 PolarHBondContact O-N 2.96Å; R259-K263 WeakPolarHBondContact O-CG 3.39Å; R259-K263 PolarHBondContact O-N 3.4Å; R259-K263 VanDerWaalsContact O-N 3.14Å
260R92.5Very high92.4Very high148 Ų148101.6 Ų101.656%0.55849%0.491SS*.Hα-helixtrans-67.6-44.1173.7-73.5-180-168.3131.810.2111.9E256 V257 K263 H264E256-R260 VanDerWaalsContact CG-NH2 3.26Å; E256-R260 WeakPolarHBondContact O-CG 3.36Å; E256-R260 PolarHBondContact O-N 2.93Å; E256-R260 IonicContact OE1-CZ 3.46Å; E256-R260 IonicContact OE1-NE 2.72Å; E256-R260 PolarHBondContact OE1-NE 3.27Å; E256-R260 VanDerWaalsContact OE1-NE 3.13Å; E256-R260 IonicContact OE1-NH2 3.15Å; E256-R260 PolarHBondContact OE1-NH2 2.85Å; V257-R260 PolarHBondContact O-N 2.87Å; R260-K263 PolarHBondContact O-N 3.33Å; R260-H264 PolarHBondContact O-N 3.47Å
261R92.4Very high92.2Very high167 Ų167102 Ų10263%0.6350%0.498SS*.Hα-helixtrans-56.6-52.3173.8179.9175.8175.4177.43.2111.2V257 E258 K263 H264 D265V257-R261 PolarHBondContact O-N 3.46Å; E258-R261 PolarHBondContact O-N 2.85Å; R261-K263 VanDerWaalsContact C-N 3.28Å; R261-K263 PolarHBondContact O-N 3.24Å; R261-H264 WeakPolarHBondContact O-CB 3.34Å; R261-H264 PolarHBondContact O-N 3.44Å; R261-D265 VanDerWaalsContact CG-OD2 3.23Å; R261-D265 WeakPolarHBondContact CG-OD2 3.27Å; R261-D265 IonicContact NE-OD2 3.9Å; R261-D265 PolarHBondContact NE-OD2 2.92Å; R261-D265 WeakPolarHBondContact O-CB 3.37Å; R261-D265 PolarHBondContact O-N 3.28Å
262R90.7Very high92Very high145 Ų145104.4 Ų104.455%0.54751%0.508SS..Hα-helixtrans-58.2-35.4177.7-72.9-176.5-177.297.56.4113.7E258 A266E258-R262 WeakPolarHBondContact O-CG 3.4Å; E258-R262 PolarHBondContact O-N 2.9Å; E258-R262 IonicContact OE1-CZ 3.34Å; E258-R262 IonicContact OE1-NH1 2.7Å; E258-R262 IonicContact OE1-NH2 3.12Å; E258-R262 PolarHBondContact OE1-NH2 3.2Å; E258-R262 IonicContact OE2-CZ 3.25Å; E258-R262 IonicContact OE2-NH1 2.76Å; E258-R262 PolarHBondContact OE2-NH1 2.96Å; E258-R262 IonicContact OE2-NH2 3.13Å; E258-R262 PolarHBondContact OE2-NH2 2.98Å; E258-R262 VanDerWaalsContact OE2-NH2 3.12Å; R262-A266 WeakPolarHBondContact O-CB 3.49Å; R262-A266 PolarHBondContact O-N 2.87Å
263K90.5Very high91.9Very high133 Ų133105.5 Ų105.558%0.57851%0.506SS*.Hα-helixtrans-67.1-42.6174-76.8176.7172.1-167.60112.6R259 R260 R261 A267R259-K263 WeakPolarHBondContact O-CG 3.39Å; R259-K263 PolarHBondContact O-N 3.4Å; R259-K263 VanDerWaalsContact O-N 3.14Å; R260-K263 PolarHBondContact O-N 3.33Å; R261-K263 VanDerWaalsContact C-N 3.28Å; R261-K263 PolarHBondContact O-N 3.24Å; K263-A267 PolarHBondContact O-N 3.2Å
264H91.5Very high91.8Very high103 Ų103103.4 Ų103.448%0.47750%0.503SS..Hα-helixtrans-66.5-48.3177.7173.3-88.5000111.1R260 R261 A266 A267 Q268R260-H264 PolarHBondContact O-N 3.47Å; R261-H264 WeakPolarHBondContact O-CB 3.34Å; R261-H264 PolarHBondContact O-N 3.44Å; H264-A266 VanDerWaalsContact C-N 3.28Å; H264-A266 PolarHBondContact O-N 3.06Å; H264-A267 PolarHBondContact O-N 3.28Å; H264-A267 VanDerWaalsContact O-N 3.15Å; H264-Q268 PolarHBondContact CE1-NE2 3.42Å; H264-Q268 PolarHBondContact CE1-OE1 2.92Å; H264-Q268 VanDerWaalsContact CE1-OE1 3.3Å; H264-Q268 WeakPolarHBondContact O-CG 3.29Å; H264-Q268 PolarHBondContact O-N 3.34Å
265D91Very high91.8Very high68 Ų68102.5 Ų102.536%0.36450%0.5SS..Hα-helixtrans-65-32.6-180-59.9-2.3000111.1R261 G269R261-D265 VanDerWaalsContact CG-OD2 3.23Å; R261-D265 WeakPolarHBondContact CG-OD2 3.27Å; R261-D265 IonicContact NE-OD2 3.9Å; R261-D265 PolarHBondContact NE-OD2 2.92Å; R261-D265 WeakPolarHBondContact O-CB 3.37Å; R261-D265 PolarHBondContact O-N 3.28Å; D265-G269 PolarHBondContact O-N 3.5Å
266A89.6Confident91.7Very high53 Ų53102.4 Ų102.444%0.43850%0.5SS..Hα-helixtrans-67.5-45.9170.600000112.6R262 H264 Q268 G269 D270R262-A266 WeakPolarHBondContact O-CB 3.49Å; R262-A266 PolarHBondContact O-N 2.87Å; H264-A266 VanDerWaalsContact C-N 3.28Å; H264-A266 PolarHBondContact O-N 3.06Å; A266-Q268 VanDerWaalsContact C-N 3.35Å; A266-Q268 PolarHBondContact O-N 3.06Å; A266-G269 CarbonylContact O-C 3.51Å; A266-G269 WeakPolarHBondContact O-CA 3.39Å; A266-G269 PolarHBondContact O-N 3.45Å; A266-D270 PolarHBondContact O-N 2.87Å
267A91.2Very high91.6Very high51 Ų51101.4 Ų101.442%0.42150%0.495SS..Hα-helixtrans-63.4-38.9177.200000112.5K263 H264 G269 D270 D271K263-A267 PolarHBondContact O-N 3.2Å; H264-A267 PolarHBondContact O-N 3.28Å; H264-A267 VanDerWaalsContact O-N 3.15Å; A267-G269 VanDerWaalsContact C-N 3.31Å; A267-G269 PolarHBondContact O-N 3Å; A267-D270 PolarHBondContact O-N 3.43Å; A267-D271 PolarHBondContact O-N 3.44Å
268Q87.5Confident91.7Very high102 Ų102102.9 Ų102.948%0.47749%0.494SS..Hα-helixtrans-64.8-35.6171.1-70.7-168.8-39.100112.2H264 A266 D271 V272H264-Q268 PolarHBondContact CE1-NE2 3.42Å; H264-Q268 PolarHBondContact CE1-OE1 2.92Å; H264-Q268 VanDerWaalsContact CE1-OE1 3.3Å; H264-Q268 WeakPolarHBondContact O-CG 3.29Å; H264-Q268 PolarHBondContact O-N 3.34Å; A266-Q268 VanDerWaalsContact C-N 3.35Å; A266-Q268 PolarHBondContact O-N 3.06Å; Q268-D271 PolarHBondContact O-N 3.42Å; Q268-V272 WeakPolarHBondContact O-CG2 3.36Å; Q268-V272 PolarHBondContact O-N 2.77Å
269G88.8Confident92Very high37 Ų37103.7 Ų103.738%0.38150%0.498SS..Hα-helixtrans-61-42.6171.700000112.6D265 A266 A267 V272 Y273D265-G269 PolarHBondContact O-N 3.5Å; A266-G269 CarbonylContact O-C 3.51Å; A266-G269 WeakPolarHBondContact O-CA 3.39Å; A266-G269 PolarHBondContact O-N 3.45Å; A267-G269 VanDerWaalsContact C-N 3.31Å; A267-G269 PolarHBondContact O-N 3Å; G269-V272 PolarHBondContact O-N 3.15Å; G269-Y273 VanDerWaalsContact O-CB 3.27Å; G269-Y273 WeakPolarHBondContact O-CB 3.47Å; G269-Y273 PolarHBondContact O-N 3.05Å
270D91Very high92.1Very high107 Ų107103.1 Ų103.157%0.57250%0.495SS*.Hα-helixtrans-64.7-41.8176.4-66.6-24.4000111.7A266 A267 Y273 M274A266-D270 PolarHBondContact O-N 2.87Å; A267-D270 PolarHBondContact O-N 3.43Å; D270-Y273 PolarHBondContact O-N 3.33Å; D270-M274 WeakPolarHBondContact O-CB 3.37Å; D270-M274 VanDerWaalsContact O-CG 3.29Å; D270-M274 WeakPolarHBondContact O-CG 3.2Å; D270-M274 PolarHBondContact O-N 3.46Å
271D92.1Very high92.2Very high114 Ų114100.4 Ų100.461%0.6149%0.489SS*.Hα-helixtrans-62.3-45175.5-78.4-27.8000112.2A267 Q268 M274 M275A267-D271 PolarHBondContact O-N 3.44Å; Q268-D271 PolarHBondContact O-N 3.42Å; D271-M274 PolarHBondContact O-N 3.36Å; D271-M275 WeakPolarHBondContact O-CG 3.17Å; D271-M275 PolarHBondContact O-N 3.5Å
272V91.6Very high92.5Very high88 Ų8898.4 Ų98.453%0.53349%0.485SS..Hα-helixtrans-65-41.5175.9172.30000111Q268 G269 M275 L276Q268-V272 WeakPolarHBondContact O-CG2 3.36Å; Q268-V272 PolarHBondContact O-N 2.77Å; G269-V272 PolarHBondContact O-N 3.15Å; V272-M275 PolarHBondContact O-N 2.99Å; V272-L276 HydrophobicContact CG1-CD1 3.93Å; V272-L276 HydrophobicContact CG1-CG 4.41Å; V272-L276 WeakPolarHBondContact O-CG 3.39Å; V272-L276 PolarHBondContact O-N 3.49Å
273Y92.9Very high92.7Very high134 Ų13496.1 Ų96.153%0.52548%0.483SS..Hα-helixtrans-59.3-47.5175.1-179.7-84.7000111.2G269 D270 M275 L276 E277G269-Y273 VanDerWaalsContact O-CB 3.27Å; G269-Y273 WeakPolarHBondContact O-CB 3.47Å; G269-Y273 PolarHBondContact O-N 3.05Å; D270-Y273 PolarHBondContact O-N 3.33Å; Y273-M275 VanDerWaalsContact C-N 3.3Å; Y273-M275 PolarHBondContact O-N 3.01Å; Y273-L276 PolarHBondContact O-N 3.07Å; Y273-E277 HydrophobicContact CE1-CB 4.41Å; Y273-E277 WeakPolarHBondContact CE1-OE2 3.48Å; Y273-E277 WeakPolarHBondContact O-CB 3.2Å; Y273-E277 PolarHBondContact O-N 3.14Å; Y273-E277 PolarHBondContact OH-OE2 3.31Å
274M92.7Very high93Very high99 Ų9994.6 Ų94.649%0.48848%0.478SS..Hα-helixtrans-65.6-29.6178.4-73.4-60.5-58.300113.5D270 D271 K278D270-M274 WeakPolarHBondContact O-CB 3.37Å; D270-M274 VanDerWaalsContact O-CG 3.29Å; D270-M274 WeakPolarHBondContact O-CG 3.2Å; D270-M274 PolarHBondContact O-N 3.46Å; D271-M274 PolarHBondContact O-N 3.36Å; M274-K278 WeakPolarHBondContact O-CD 3.23Å; M274-K278 VanDerWaalsContact O-CG 3.26Å; M274-K278 WeakPolarHBondContact O-CG 3.4Å; M274-K278 PolarHBondContact O-N 2.89Å
275M93.1Very high93.2Very high105 Ų10596 Ų9652%0.51748%0.483SS..Hα-helixtrans-70.2-48171.3-75.6-64.4-62.800111.5D271 V272 Y273 E277 K278 E279D271-M275 WeakPolarHBondContact O-CG 3.17Å; D271-M275 PolarHBondContact O-N 3.5Å; V272-M275 PolarHBondContact O-N 2.99Å; Y273-M275 VanDerWaalsContact C-N 3.3Å; Y273-M275 PolarHBondContact O-N 3.01Å; M275-E277 PolarHBondContact O-N 3.45Å; M275-K278 WeakPolarHBondContact O-CB 3.46Å; M275-K278 PolarHBondContact O-N 2.9Å; M275-E279 PolarHBondContact O-N 2.91Å
276L94.8Very high93.5Very high100 Ų10096.6 Ų96.652%0.52448%0.483SS..Hα-helixtrans-66.3-35.5179.4-69.8172.8000112.9V272 Y273 E279 R280V272-L276 HydrophobicContact CG1-CD1 3.93Å; V272-L276 HydrophobicContact CG1-CG 4.41Å; V272-L276 WeakPolarHBondContact O-CG 3.39Å; V272-L276 PolarHBondContact O-N 3.49Å; Y273-L276 PolarHBondContact O-N 3.07Å; L276-E279 PolarHBondContact O-N 3.08Å; L276-R280 WeakPolarHBondContact O-CB 3.37Å; L276-R280 PolarHBondContact O-N 2.81Å
277E93Very high93.7Very high49 Ų4998.4 Ų98.423%0.22948%0.484CS..Hα-helixtrans-64-40.9174.2-168.597.7-96.200110.8Y273 M275 R280 E281Y273-E277 HydrophobicContact CE1-CB 4.41Å; Y273-E277 WeakPolarHBondContact CE1-OE2 3.48Å; Y273-E277 WeakPolarHBondContact O-CB 3.2Å; Y273-E277 PolarHBondContact O-N 3.14Å; Y273-E277 PolarHBondContact OH-OE2 3.31Å; M275-E277 PolarHBondContact O-N 3.45Å; E277-R280 WeakPolarHBondContact O-CB 3.49Å; E277-R280 PolarHBondContact O-N 2.89Å; E277-R280 IonicContact OE1-CZ 3.87Å; E277-R280 IonicContact OE1-NH1 2.74Å; E277-R280 PolarHBondContact OE1-NH1 3.45Å; E277-E281 WeakPolarHBondContact O-CG 3.31Å; E277-E281 PolarHBondContact O-N 2.61Å
278K95.7Very high93.9Very high125 Ų12598.7 Ų98.754%0.54349%0.487SS..Hα-helixtrans-65.6-43174.4-72.5168.6-174.5170.80112.8M274 M275 E281 K282M274-K278 WeakPolarHBondContact O-CD 3.23Å; M274-K278 VanDerWaalsContact O-CG 3.26Å; M274-K278 WeakPolarHBondContact O-CG 3.4Å; M274-K278 PolarHBondContact O-N 2.89Å; M275-K278 WeakPolarHBondContact O-CB 3.46Å; M275-K278 PolarHBondContact O-N 2.9Å; K278-E281 PolarHBondContact O-N 3.11Å; K278-K282 WeakPolarHBondContact O-CB 3.22Å; K278-K282 PolarHBondContact O-N 2.96Å
279E95Very high94.3Very high101 Ų10196.2 Ų96.247%0.47248%0.481SS..Hα-helixtrans-64.7-41.9176-73.3-180175.700111.2M275 L276 K282 L283M275-E279 PolarHBondContact O-N 2.91Å; L276-E279 PolarHBondContact O-N 3.08Å; E279-K282 PolarHBondContact O-N 3.25Å; E279-L283 WeakPolarHBondContact O-CB 3.43Å; E279-L283 VanDerWaalsContact O-CG 3.3Å; E279-L283 WeakPolarHBondContact O-CG 3.35Å; E279-L283 PolarHBondContact O-N 3Å
280R96.3Very high94.6Very high136 Ų13698.6 Ų98.651%0.51349%0.488SS..Hα-helixtrans-58.2-47.9172.5175.6-173.7175.9-126.1-5.1111.8L276 E277 Q284L276-R280 WeakPolarHBondContact O-CB 3.37Å; L276-R280 PolarHBondContact O-N 2.81Å; E277-R280 WeakPolarHBondContact O-CB 3.49Å; E277-R280 PolarHBondContact O-N 2.89Å; E277-R280 IonicContact OE1-CZ 3.87Å; E277-R280 IonicContact OE1-NH1 2.74Å; E277-R280 PolarHBondContact OE1-NH1 3.45Å; R280-Q284 WeakPolarHBondContact O-CB 3.36Å; R280-Q284 VanDerWaalsContact O-CG 3.25Å; R280-Q284 WeakPolarHBondContact O-CG 3.32Å; R280-Q284 PolarHBondContact O-N 3.01Å
281E95.6Very high94.9Very high92 Ų92101.8 Ų101.843%0.4349%0.492SS..Hα-helixtrans-62.1-40.7175.8-80.3-169.3-161.300112.6E277 K278 Q284 K285E277-E281 WeakPolarHBondContact O-CG 3.31Å; E277-E281 PolarHBondContact O-N 2.61Å; K278-E281 PolarHBondContact O-N 3.11Å; E281-Q284 PolarHBondContact O-N 3.33Å; E281-K285 WeakPolarHBondContact O-CD 3.47Å; E281-K285 VanDerWaalsContact O-CG 3.32Å; E281-K285 WeakPolarHBondContact O-CG 3.19Å; E281-K285 PolarHBondContact O-N 3Å; E281-K285 IonicContact OE2-NZ 3.3Å; E281-K285 PolarHBondContact OE2-NZ 3.3Å
282K97.2Very high95.1Very high125 Ų125102.2 Ų102.254%0.54349%0.49SS..Hα-helixtrans-63.4-50.2177.7-175177.3-175-82.10110.8K278 E279 Q284 K285 E286K278-K282 WeakPolarHBondContact O-CB 3.22Å; K278-K282 PolarHBondContact O-N 2.96Å; E279-K282 PolarHBondContact O-N 3.25Å; K282-Q284 VanDerWaalsContact C-N 3.32Å; K282-Q284 PolarHBondContact O-N 3.14Å; K282-K285 WeakPolarHBondContact O-CB 3.28Å; K282-K285 PolarHBondContact O-N 2.83Å; K282-K285 VanDerWaalsContact O-N 3.14Å; K282-E286 WeakPolarHBondContact CE-OE1 3.33Å; K282-E286 WeakPolarHBondContact CG-OE1 3.41Å; K282-E286 IonicContact NZ-OE1 2.66Å; K282-E286 PolarHBondContact NZ-OE1 3.24Å; K282-E286 WeakPolarHBondContact O-CG 3.43Å; K282-E286 PolarHBondContact O-N 3.24Å
283L96.3Very high95.3Very high96 Ų96103.8 Ų103.850%0.50349%0.492SS..Hα-helixtrans-63.5-35.2177.1-69.4170.5000112.2E279 E286 I287E279-L283 WeakPolarHBondContact O-CB 3.43Å; E279-L283 VanDerWaalsContact O-CG 3.3Å; E279-L283 WeakPolarHBondContact O-CG 3.35Å; E279-L283 PolarHBondContact O-N 3Å; L283-E286 PolarHBondContact O-N 3.25Å; L283-I287 WeakPolarHBondContact O-CB 3.46Å; L283-I287 WeakPolarHBondContact O-CD1 3.5Å; L283-I287 WeakPolarHBondContact O-CG1 3.37Å; L283-I287 PolarHBondContact O-N 3.4Å
284Q96.1Very high95.3Very high101 Ų101101.9 Ų101.947%0.47249%0.49SS..Hα-helixtrans-64.4-39.1173-79.1177.9-7.900112.4R280 E281 K282 A288R280-Q284 WeakPolarHBondContact O-CB 3.36Å; R280-Q284 VanDerWaalsContact O-CG 3.25Å; R280-Q284 WeakPolarHBondContact O-CG 3.32Å; R280-Q284 PolarHBondContact O-N 3.01Å; E281-Q284 PolarHBondContact O-N 3.33Å; K282-Q284 VanDerWaalsContact C-N 3.32Å; K282-Q284 PolarHBondContact O-N 3.14Å; Q284-A288 WeakPolarHBondContact O-CB 3.26Å; Q284-A288 PolarHBondContact O-N 3.2Å
285K96Very high95.5Very high133 Ų133102.4 Ų102.458%0.57849%0.492SS*.Hα-helixtrans-67-43.8174.7-70.6161.3-173.41580111.5E281 K282 A288 S289E281-K285 WeakPolarHBondContact O-CD 3.47Å; E281-K285 VanDerWaalsContact O-CG 3.32Å; E281-K285 WeakPolarHBondContact O-CG 3.19Å; E281-K285 PolarHBondContact O-N 3Å; E281-K285 IonicContact OE2-NZ 3.3Å; E281-K285 PolarHBondContact OE2-NZ 3.3Å; K282-K285 WeakPolarHBondContact O-CB 3.28Å; K282-K285 PolarHBondContact O-N 2.83Å; K282-K285 VanDerWaalsContact O-N 3.14Å; K285-A288 WeakPolarHBondContact O-CB 3.45Å; K285-A288 PolarHBondContact O-N 3.07Å; K285-S289 PolarHBondContact O-N 3.33Å
286E96.2Very high95.6Very high80 Ų80103.1 Ų103.137%0.37449%0.494SS..Hα-helixtrans-63.7-41.3175.9-70.7170.4-168.200112.3K282 L283 A288 S289 V290K282-E286 WeakPolarHBondContact CE-OE1 3.33Å; K282-E286 WeakPolarHBondContact CG-OE1 3.41Å; K282-E286 IonicContact NZ-OE1 2.66Å; K282-E286 PolarHBondContact NZ-OE1 3.24Å; K282-E286 WeakPolarHBondContact O-CG 3.43Å; K282-E286 PolarHBondContact O-N 3.24Å; L283-E286 PolarHBondContact O-N 3.25Å; E286-A288 VanDerWaalsContact C-N 3.31Å; E286-A288 PolarHBondContact O-N 3.21Å; E286-S289 PolarHBondContact O-N 2.72Å; E286-S289 PolarHBondContact O-OG 3.46Å; E286-S289 VanDerWaalsContact O-OG 3.08Å; E286-V290 WeakPolarHBondContact O-CB 3.34Å; E286-V290 VanDerWaalsContact O-CG2 3.3Å; E286-V290 WeakPolarHBondContact O-CG2 3.43Å; E286-V290 PolarHBondContact O-N 2.9Å
287I95Very high95.6Very high91 Ų91101.1 Ų101.147%0.46749%0.492SS..Hα-helixtrans-65.8-35.2174-70.2165.6000111.2L283 R291L283-I287 WeakPolarHBondContact O-CB 3.46Å; L283-I287 WeakPolarHBondContact O-CD1 3.5Å; L283-I287 WeakPolarHBondContact O-CG1 3.37Å; L283-I287 PolarHBondContact O-N 3.4Å; I287-R291 WeakPolarHBondContact O-CB 3.49Å; I287-R291 WeakPolarHBondContact O-CD 3.42Å; I287-R291 WeakPolarHBondContact O-CG 3.32Å; I287-R291 PolarHBondContact O-N 2.95Å; I287-R291 VanDerWaalsContact O-N 3.12Å
288A95.7Very high95.8Very high57 Ų57103.3 Ų103.347%0.47150%0.5SS..Hα-helixtrans-67.4-46.1176.700000112Q284 K285 E286 R291 E292Q284-A288 WeakPolarHBondContact O-CB 3.26Å; Q284-A288 PolarHBondContact O-N 3.2Å; K285-A288 WeakPolarHBondContact O-CB 3.45Å; K285-A288 PolarHBondContact O-N 3.07Å; E286-A288 VanDerWaalsContact C-N 3.31Å; E286-A288 PolarHBondContact O-N 3.21Å; A288-R291 PolarHBondContact O-N 3.45Å; A288-E292 PolarHBondContact O-N 3.03Å
289S95.1Very high95.8Very high51 Ų5199 Ų9936%0.35749%0.488SS..Hα-helixtrans-65.3-44.4178.363.70000112.1K285 E286 R291 E292 E293K285-S289 PolarHBondContact O-N 3.33Å; E286-S289 PolarHBondContact O-N 2.72Å; E286-S289 PolarHBondContact O-OG 3.46Å; E286-S289 VanDerWaalsContact O-OG 3.08Å; S289-R291 VanDerWaalsContact C-N 3.26Å; S289-R291 PolarHBondContact O-N 3.28Å; S289-E292 PolarHBondContact O-N 3.25Å; S289-E293 WeakPolarHBondContact O-CG 3.36Å; S289-E293 PolarHBondContact O-N 3.38Å
290V95.9Very high95.8Very high87 Ų8796.8 Ų96.853%0.52749%0.487SS..Hα-helixtrans-62.7-33177171.70000111.9E286 L294E286-V290 WeakPolarHBondContact O-CB 3.34Å; E286-V290 VanDerWaalsContact O-CG2 3.3Å; E286-V290 WeakPolarHBondContact O-CG2 3.43Å; E286-V290 PolarHBondContact O-N 2.9Å; V290-L294 VanDerWaalsContact O-CB 3.24Å; V290-L294 WeakPolarHBondContact O-CB 3.39Å; V290-L294 PolarHBondContact O-N 2.92Å
291R96.4Very high95.7Very high173 Ų17392.9 Ų92.965%0.65348%0.484SS*.Hα-helixtrans-68.5-39.1172.8-77.5171.9-178.7-161.31.2112.4I287 A288 S289 E295I287-R291 WeakPolarHBondContact O-CB 3.49Å; I287-R291 WeakPolarHBondContact O-CD 3.42Å; I287-R291 WeakPolarHBondContact O-CG 3.32Å; I287-R291 PolarHBondContact O-N 2.95Å; I287-R291 VanDerWaalsContact O-N 3.12Å; A288-R291 PolarHBondContact O-N 3.45Å; S289-R291 VanDerWaalsContact C-N 3.26Å; S289-R291 PolarHBondContact O-N 3.28Å; R291-E295 WeakPolarHBondContact O-CB 3.43Å; R291-E295 PolarHBondContact O-N 2.77Å
292E95.7Very high95.7Very high123 Ų12394.8 Ų94.858%0.57549%0.493SS*.Hα-helixtrans-66.9-46.5176.2-166.6-178159.800111.3A288 S289 L294 E295 Q296A288-E292 PolarHBondContact O-N 3.03Å; S289-E292 PolarHBondContact O-N 3.25Å; E292-L294 VanDerWaalsContact C-N 3.32Å; E292-L294 PolarHBondContact O-N 3.02Å; E292-E295 PolarHBondContact O-N 2.87Å; E292-E295 VanDerWaalsContact O-N 3.14Å; E292-Q296 WeakPolarHBondContact O-CG 3.48Å; E292-Q296 PolarHBondContact O-N 2.72Å; E292-Q296 PolarHBondContact OE1-NE2 2.84Å; E292-Q296 VanDerWaalsContact OE1-NE2 3.16Å
293E95.6Very high95.7Very high121 Ų12195.6 Ų95.657%0.56550%0.496SS*.Hα-helixtrans-57.3-43.7174.2-72.1172.1-160.100112S289 E295 Q296 A297S289-E293 WeakPolarHBondContact O-CG 3.36Å; S289-E293 PolarHBondContact O-N 3.38Å; E293-E295 VanDerWaalsContact C-N 3.34Å; E293-E295 PolarHBondContact O-N 3.23Å; E293-Q296 PolarHBondContact O-N 3.13Å; E293-A297 VanDerWaalsContact O-CB 3.3Å; E293-A297 WeakPolarHBondContact O-CB 3.36Å; E293-A297 PolarHBondContact O-N 3.27Å
294L94.7Very high95.3Very high95 Ų9593.8 Ų93.850%0.49749%0.492SS..Hα-helixtrans-61.7-41.2175.7178.864.7000111.9V290 E292 A297 K298V290-L294 VanDerWaalsContact O-CB 3.24Å; V290-L294 WeakPolarHBondContact O-CB 3.39Å; V290-L294 PolarHBondContact O-N 2.92Å; E292-L294 VanDerWaalsContact C-N 3.32Å; E292-L294 PolarHBondContact O-N 3.02Å; L294-A297 PolarHBondContact O-N 3.47Å; L294-K298 WeakPolarHBondContact O-CG 3.37Å; L294-K298 PolarHBondContact O-N 3.42Å
295E95.5Very high95.2Very high110 Ų11094.3 Ų94.351%0.51449%0.494SS..Hα-helixtrans-72.1-39-179.8-15962.3-163.800111.9R291 E292 E293 A297 K298 A299R291-E295 WeakPolarHBondContact O-CB 3.43Å; R291-E295 PolarHBondContact O-N 2.77Å; E292-E295 PolarHBondContact O-N 2.87Å; E292-E295 VanDerWaalsContact O-N 3.14Å; E293-E295 VanDerWaalsContact C-N 3.34Å; E293-E295 PolarHBondContact O-N 3.23Å; E295-A297 VanDerWaalsContact C-N 3.34Å; E295-A297 PolarHBondContact O-N 2.93Å; E295-K298 PolarHBondContact O-N 3.48Å; E295-K298 WeakPolarHBondContact OE2-CD 3.21Å; E295-K298 IonicContact OE2-NZ 2.82Å; E295-K298 PolarHBondContact OE2-NZ 3.41Å; E295-A299 WeakPolarHBondContact O-CB 3.34Å; E295-A299 PolarHBondContact O-N 2.9Å
296Q96.1Very high95.1Very high120 Ų12090.8 Ų90.856%0.56148%0.484SS*.Hα-helixtrans-61.3-42.2170.9-68.5-178.422.800111.5E292 E293 A299 A300E292-Q296 WeakPolarHBondContact O-CG 3.48Å; E292-Q296 PolarHBondContact O-N 2.72Å; E292-Q296 PolarHBondContact OE1-NE2 2.84Å; E292-Q296 VanDerWaalsContact OE1-NE2 3.16Å; E293-Q296 PolarHBondContact O-N 3.13Å; Q296-A299 PolarHBondContact O-N 3.03Å; Q296-A300 WeakPolarHBondContact O-CB 3.39Å; Q296-A300 PolarHBondContact O-N 2.83Å
297A94.7Very high95.1Very high58 Ų5891.7 Ų91.748%0.47949%0.491SS..Hα-helixtrans-65.3-41.917700000112.6E293 L294 E295 A300 A301E293-A297 VanDerWaalsContact O-CB 3.3Å; E293-A297 WeakPolarHBondContact O-CB 3.36Å; E293-A297 PolarHBondContact O-N 3.27Å; L294-A297 PolarHBondContact O-N 3.47Å; E295-A297 VanDerWaalsContact C-N 3.34Å; E295-A297 PolarHBondContact O-N 2.93Å; A297-A300 PolarHBondContact O-N 3.46Å; A297-A301 WeakPolarHBondContact O-CB 3.11Å; A297-A301 PolarHBondContact O-N 2.7Å
298K96.2Very high95.1Very high94 Ų9491.8 Ų91.841%0.40949%0.491SS..Hα-helixtrans-61-49.7172.1-73.2174.9-165.3160.20111.7L294 E295 A300 A301 E302L294-K298 WeakPolarHBondContact O-CG 3.37Å; L294-K298 PolarHBondContact O-N 3.42Å; E295-K298 PolarHBondContact O-N 3.48Å; E295-K298 WeakPolarHBondContact OE2-CD 3.21Å; E295-K298 IonicContact OE2-NZ 2.82Å; E295-K298 PolarHBondContact OE2-NZ 3.41Å; K298-A300 PolarHBondContact O-N 2.92Å; K298-A301 CarbonylContact O-C 3.56Å; K298-A301 WeakPolarHBondContact O-CA 3.23Å; K298-A301 WeakPolarHBondContact O-CB 3.38Å; K298-A301 PolarHBondContact O-N 3.5Å; K298-E302 PolarHBondContact O-N 3.49Å
299A96.7Very high95Very high34 Ų3492 Ų9228%0.28148%0.483SS..Hα-helixtrans-61.2-32.7179.100000112.3E295 Q296 K303E295-A299 WeakPolarHBondContact O-CB 3.34Å; E295-A299 PolarHBondContact O-N 2.9Å; Q296-A299 PolarHBondContact O-N 3.03Å; A299-K303 WeakPolarHBondContact O-CB 3.46Å; A299-K303 WeakPolarHBondContact O-CD 3.31Å; A299-K303 WeakPolarHBondContact O-CG 3.4Å; A299-K303 PolarHBondContact O-N 2.99Å; A299-K303 VanDerWaalsContact O-N 3.07Å
300A95.7Very high95Very high55 Ų5595.8 Ų95.846%0.45549%0.489SS..Hα-helixtrans-69.7-40.217200000112.5Q296 A297 K298 K303 S304Q296-A300 WeakPolarHBondContact O-CB 3.39Å; Q296-A300 PolarHBondContact O-N 2.83Å; A297-A300 PolarHBondContact O-N 3.46Å; K298-A300 PolarHBondContact O-N 2.92Å; A300-K303 PolarHBondContact O-N 3.12Å; A300-S304 PolarHBondContact O-N 3.41Å; A300-S304 PolarHBondContact O-OG 2.76Å
301A94.2Very high94.9Very high54 Ų5496.2 Ų96.245%0.44649%0.486SS..Hα-helixtrans-67.1-39.5175.400000112.7A297 K298 S304 H305A297-A301 WeakPolarHBondContact O-CB 3.11Å; A297-A301 PolarHBondContact O-N 2.7Å; K298-A301 CarbonylContact O-C 3.56Å; K298-A301 WeakPolarHBondContact O-CA 3.23Å; K298-A301 WeakPolarHBondContact O-CB 3.38Å; K298-A301 PolarHBondContact O-N 3.5Å; A301-S304 PolarHBondContact O-N 2.93Å; A301-S304 PolarHBondContact O-OG 3.02Å; A301-H305 VanDerWaalsContact O-CB 3.26Å; A301-H305 WeakPolarHBondContact O-CB 3.43Å; A301-H305 PolarHBondContact O-N 3.34Å
302E95.6Very high94.9Very high132 Ų13293 Ų9362%0.61748%0.476SS*.Hα-helixtrans-65.9-42.3173.5-71.7179.1176.700111.6K298 S304 H305 T306K298-E302 PolarHBondContact O-N 3.49Å; E302-S304 PolarHBondContact O-N 3.23Å; E302-H305 PolarHBondContact O-N 2.9Å; E302-T306 VanDerWaalsContact O-CG2 3.31Å; E302-T306 WeakPolarHBondContact O-CG2 3.47Å; E302-T306 PolarHBondContact O-N 3Å; E302-T306 PolarHBondContact O-OG1 3.5Å
303K95.7Very high94.8Very high142 Ų14289.9 Ų89.962%0.61747%0.468SS*.Hα-helixtrans-58.8-48.8174.1-76.5166.2-171.8172.50111.3A299 A300 T306 L307A299-K303 WeakPolarHBondContact O-CB 3.46Å; A299-K303 WeakPolarHBondContact O-CD 3.31Å; A299-K303 WeakPolarHBondContact O-CG 3.4Å; A299-K303 PolarHBondContact O-N 2.99Å; A299-K303 VanDerWaalsContact O-N 3.07Å; A300-K303 PolarHBondContact O-N 3.12Å; K303-T306 PolarHBondContact O-N 3.44Å; K303-T306 PolarHBondContact O-OG1 2.88Å; K303-L307 WeakPolarHBondContact O-CG 3.44Å; K303-L307 PolarHBondContact O-N 2.85Å
304S87.6Confident94.8Very high59 Ų5991.3 Ų91.341%0.41347%0.468SS..Hα-helixtrans-66-38.8178.267.20000112.3A300 A301 E302 L307 L308A300-S304 PolarHBondContact O-N 3.41Å; A300-S304 PolarHBondContact O-OG 2.76Å; A301-S304 PolarHBondContact O-N 2.93Å; A301-S304 PolarHBondContact O-OG 3.02Å; E302-S304 PolarHBondContact O-N 3.23Å; S304-L307 PolarHBondContact O-N 2.69Å; S304-L308 WeakPolarHBondContact O-CG 3.43Å; S304-L308 PolarHBondContact O-N 2.88Å
305H94.5Very high94.8Very high112 Ų11292.6 Ų92.652%0.51947%0.471SS..Hα-helixtrans-58.8-48.4173-176.5-94.2000112.1A301 E302 L307 L308 E309A301-H305 VanDerWaalsContact O-CB 3.26Å; A301-H305 WeakPolarHBondContact O-CB 3.43Å; A301-H305 PolarHBondContact O-N 3.34Å; E302-H305 PolarHBondContact O-N 2.9Å; H305-L307 VanDerWaalsContact C-N 3.3Å; H305-L307 PolarHBondContact O-N 3.23Å; H305-L308 PolarHBondContact O-N 3.26Å; H305-E309 PolarHBondContact O-N 3.3Å
306T94.6Very high94.9Very high59 Ų5993.5 Ų93.536%0.36247%0.474SS..Hα-helixtrans-68-27.417868.50000113E302 K303 R310E302-T306 VanDerWaalsContact O-CG2 3.31Å; E302-T306 WeakPolarHBondContact O-CG2 3.47Å; E302-T306 PolarHBondContact O-N 3Å; E302-T306 PolarHBondContact O-OG1 3.5Å; K303-T306 PolarHBondContact O-N 3.44Å; K303-T306 PolarHBondContact O-OG1 2.88Å; T306-R310 VanDerWaalsContact CB-NH1 3.25Å; T306-R310 VanDerWaalsContact O-CG 3.3Å; T306-R310 WeakPolarHBondContact O-CG 3.29Å; T306-R310 PolarHBondContact O-N 3.41Å; T306-R310 VanDerWaalsContact O-N 3.16Å; T306-R310 PolarHBondContact O-NH1 3.29Å; T306-R310 PolarHBondContact OG1-NH1 3.26Å
307L95.5Very high94.9Very high99 Ų9994.1 Ų94.152%0.51848%0.477SS..Hα-helixtrans-69.8-46.5172.1-73.1172.3000110.8K303 S304 H305 E309 R310 E311K303-L307 WeakPolarHBondContact O-CG 3.44Å; K303-L307 PolarHBondContact O-N 2.85Å; S304-L307 PolarHBondContact O-N 2.69Å; H305-L307 VanDerWaalsContact C-N 3.3Å; H305-L307 PolarHBondContact O-N 3.23Å; L307-E309 VanDerWaalsContact C-N 3.33Å; L307-E309 PolarHBondContact O-N 3.47Å; L307-R310 PolarHBondContact O-N 2.97Å; L307-R310 VanDerWaalsContact O-N 3.15Å; L307-E311 PolarHBondContact O-N 3.3Å
308L94.7Very high95Very high92 Ų9296 Ų9648%0.48248%0.477SS..Hα-helixtrans-59.8-39.6175.5-71.7169.8000112.3S304 H305 E311 K312S304-L308 WeakPolarHBondContact O-CG 3.43Å; S304-L308 PolarHBondContact O-N 2.88Å; H305-L308 PolarHBondContact O-N 3.26Å; L308-E311 PolarHBondContact O-N 2.87Å; L308-K312 WeakPolarHBondContact O-CB 3.4Å; L308-K312 VanDerWaalsContact O-CG 3.27Å; L308-K312 WeakPolarHBondContact O-CG 3.35Å; L308-K312 PolarHBondContact O-N 2.93Å
309E93.9Very high95Very high63 Ų6395.4 Ų95.429%0.29448%0.482SS..Hα-helixtrans-68.9-34.8174.9-72.8-52.1133.800113.4H305 L307 K312 S313H305-E309 PolarHBondContact O-N 3.3Å; L307-E309 VanDerWaalsContact C-N 3.33Å; L307-E309 PolarHBondContact O-N 3.47Å; E309-K312 WeakPolarHBondContact OE1-CD 3.2Å; E309-K312 WeakPolarHBondContact OE1-CE 3.42Å; E309-K312 IonicContact OE1-NZ 2.64Å; E309-K312 PolarHBondContact OE1-NZ 3.39Å; E309-S313 VanDerWaalsContact O-CB 3.32Å; E309-S313 WeakPolarHBondContact O-CB 3.19Å; E309-S313 PolarHBondContact O-N 3.48Å; E309-S313 PolarHBondContact O-OG 2.87Å
310R95.5Very high94.9Very high130 Ų13099.2 Ų99.249%0.49150%0.497SS..Hα-helixtrans-65.7-41.7170.9-73.4178.3-165.395.1-6111.6T306 L307 S313 R314T306-R310 VanDerWaalsContact CB-NH1 3.25Å; T306-R310 VanDerWaalsContact O-CG 3.3Å; T306-R310 WeakPolarHBondContact O-CG 3.29Å; T306-R310 PolarHBondContact O-N 3.41Å; T306-R310 VanDerWaalsContact O-N 3.16Å; T306-R310 PolarHBondContact O-NH1 3.29Å; T306-R310 PolarHBondContact OG1-NH1 3.26Å; L307-R310 PolarHBondContact O-N 2.97Å; L307-R310 VanDerWaalsContact O-N 3.15Å; R310-S313 PolarHBondContact O-N 3.48Å; R310-R314 WeakPolarHBondContact O-CG 3.41Å; R310-R314 PolarHBondContact O-N 2.85Å
311E94.3Very high94.9Very high96 Ų96103.6 Ų103.645%0.44950%0.503SS..Hα-helixtrans-64.3-48.8175.3-73.9-178.8175.500111.4L307 L308 S313 R314 H315L307-E311 PolarHBondContact O-N 3.3Å; L308-E311 PolarHBondContact O-N 2.87Å; E311-S313 PolarHBondContact O-N 3.35Å; E311-R314 PolarHBondContact O-N 3.23Å; E311-H315 PolarHBondContact O-N 2.87Å; E311-H315 PolarHBondContact O-ND1 2.92Å
312K96.1Very high94.9Very high104 Ų104105.5 Ų105.545%0.45251%0.505SS..Hα-helixtrans-54.6-41.1173.6-73.4171.3-171174.50111.7L308 E309 H315 K316L308-K312 WeakPolarHBondContact O-CB 3.4Å; L308-K312 VanDerWaalsContact O-CG 3.27Å; L308-K312 WeakPolarHBondContact O-CG 3.35Å; L308-K312 PolarHBondContact O-N 2.93Å; E309-K312 WeakPolarHBondContact OE1-CD 3.2Å; E309-K312 WeakPolarHBondContact OE1-CE 3.42Å; E309-K312 IonicContact OE1-NZ 2.64Å; E309-K312 PolarHBondContact OE1-NZ 3.39Å; K312-H315 PolarHBondContact O-N 3.4Å; K312-K316 VanDerWaalsContact O-CG 3.28Å; K312-K316 WeakPolarHBondContact O-CG 3.31Å; K312-K316 PolarHBondContact O-N 3.31Å
313S93.9Very high94.9Very high59 Ų59103.8 Ų103.841%0.41350%0.499SS..Hα-helixtrans-66.7-43.5178.8-590000112.3E309 R310 E311 K316 E317E309-S313 VanDerWaalsContact O-CB 3.32Å; E309-S313 WeakPolarHBondContact O-CB 3.19Å; E309-S313 PolarHBondContact O-N 3.48Å; E309-S313 PolarHBondContact O-OG 2.87Å; R310-S313 PolarHBondContact O-N 3.48Å; E311-S313 PolarHBondContact O-N 3.35Å; S313-K316 WeakPolarHBondContact O-CB 3.31Å; S313-K316 PolarHBondContact O-N 2.61Å; S313-E317 PolarHBondContact O-N 3.32Å
314R95.3Very high94.9Very high151 Ų151102.9 Ų102.957%0.5750%0.497SS*.Hα-helixtrans-60.9-42.9172-73172.5176.7159.2-2.9112.4R310 E311 K316 E317 I318R310-R314 WeakPolarHBondContact O-CG 3.41Å; R310-R314 PolarHBondContact O-N 2.85Å; E311-R314 PolarHBondContact O-N 3.23Å; R314-K316 VanDerWaalsContact C-N 3.35Å; R314-K316 PolarHBondContact O-N 3.48Å; R314-E317 PolarHBondContact O-N 3.5Å; R314-I318 WeakPolarHBondContact O-CD1 3.34Å; R314-I318 VanDerWaalsContact O-CG1 3.26Å; R314-I318 WeakPolarHBondContact O-CG1 3.37Å; R314-I318 PolarHBondContact O-N 2.97Å
315H95.7Very high95.2Very high121 Ų121103.9 Ų103.956%0.5650%0.495SS*.Hα-helixtrans-63.3-40.1176.1-71.794.5000111.7E311 K312 V319E311-H315 PolarHBondContact O-N 2.87Å; E311-H315 PolarHBondContact O-ND1 2.92Å; K312-H315 PolarHBondContact O-N 3.4Å; H315-V319 WeakPolarHBondContact O-CB 3.22Å; H315-V319 VanDerWaalsContact O-CG2 3.24Å; H315-V319 WeakPolarHBondContact O-CG2 3.36Å; H315-V319 PolarHBondContact O-N 3.18Å
316K96.4Very high95.2Very high129 Ų129106.6 Ų106.656%0.56150%0.501SS*.Hα-helixtrans-59.5-46.8172.5-71.6166.9-176.6174.60111.4K312 S313 R314 V319 L320K312-K316 VanDerWaalsContact O-CG 3.28Å; K312-K316 WeakPolarHBondContact O-CG 3.31Å; K312-K316 PolarHBondContact O-N 3.31Å; S313-K316 WeakPolarHBondContact O-CB 3.31Å; S313-K316 PolarHBondContact O-N 2.61Å; R314-K316 VanDerWaalsContact C-N 3.35Å; R314-K316 PolarHBondContact O-N 3.48Å; K316-V319 PolarHBondContact O-N 3Å; K316-L320 VanDerWaalsContact O-CG 3.31Å; K316-L320 WeakPolarHBondContact O-CG 3.44Å; K316-L320 PolarHBondContact O-N 2.96Å
317E95.6Very high95.2Very high134 Ų134112.9 Ų112.963%0.62652%0.518SS*.Hα-helixtrans-62-47.8178.9-175.1177.2-162.100112.4S313 R314 V319 L320 Y321S313-E317 PolarHBondContact O-N 3.32Å; R314-E317 PolarHBondContact O-N 3.5Å; E317-V319 VanDerWaalsContact C-N 3.33Å; E317-V319 PolarHBondContact O-N 2.66Å; E317-L320 PolarHBondContact O-N 3.3Å; E317-Y321 PolarHBondContact O-N 3.14Å
318I96.8Very high95.1Very high96 Ų96113 Ų11349%0.49252%0.516SS..Hα-helixtrans-59.6-43.6176.4-67.6163.1000110.9R314 Y321 L322R314-I318 WeakPolarHBondContact O-CD1 3.34Å; R314-I318 VanDerWaalsContact O-CG1 3.26Å; R314-I318 WeakPolarHBondContact O-CG1 3.37Å; R314-I318 PolarHBondContact O-N 2.97Å; I318-Y321 PolarHBondContact O-N 2.81Å; I318-L322 HydrophobicContact CG2-CD1 3.93Å; I318-L322 HydrophobicContact CG2-CG 4.46Å; I318-L322 VanDerWaalsContact O-CG 3.3Å; I318-L322 WeakPolarHBondContact O-CG 3.11Å; I318-L322 PolarHBondContact O-N 2.95Å
319V96.3Very high94.9Very high82 Ų82113.8 Ų113.850%0.49752%0.52SS..Hα-helixtrans-64.5-40.8177.4168.70000111.5H315 K316 E317 L322 L323H315-V319 WeakPolarHBondContact O-CB 3.22Å; H315-V319 VanDerWaalsContact O-CG2 3.24Å; H315-V319 WeakPolarHBondContact O-CG2 3.36Å; H315-V319 PolarHBondContact O-N 3.18Å; K316-V319 PolarHBondContact O-N 3Å; E317-V319 VanDerWaalsContact C-N 3.33Å; E317-V319 PolarHBondContact O-N 2.66Å; V319-L322 PolarHBondContact O-N 3.32Å; V319-L323 HydrophobicContact CG1-CD1 3.93Å; V319-L323 HydrophobicContact CG1-CG 4.43Å; V319-L323 WeakPolarHBondContact O-CB 3.28Å; V319-L323 VanDerWaalsContact O-CG 3.25Å; V319-L323 WeakPolarHBondContact O-CG 3.42Å; V319-L323 PolarHBondContact O-N 2.91Å
320L94.8Very high94.8Very high115 Ų115115.9 Ų115.960%0.60253%0.533SS*.Hα-helixtrans-63.7-42.9175.4-72.6171.2000111.9K316 E317 L323 Q324K316-L320 VanDerWaalsContact O-CG 3.31Å; K316-L320 WeakPolarHBondContact O-CG 3.44Å; K316-L320 PolarHBondContact O-N 2.96Å; E317-L320 PolarHBondContact O-N 3.3Å; L320-L323 PolarHBondContact O-N 3.14Å; L320-Q324 WeakPolarHBondContact O-CB 3.21Å; L320-Q324 PolarHBondContact O-N 3.04Å
321Y95.3Very high94.6Very high147 Ų147113.2 Ų113.258%0.57653%0.531SS*.Hα-helixtrans-59.2-49.7174.6178.3-87000111.6E317 I318 L323 Q324 E325E317-Y321 PolarHBondContact O-N 3.14Å; I318-Y321 PolarHBondContact O-N 2.81Å; Y321-L323 VanDerWaalsContact C-N 3.32Å; Y321-L323 PolarHBondContact O-N 2.81Å; Y321-Q324 WeakPolarHBondContact O-CB 3.16Å; Y321-Q324 PolarHBondContact O-N 3.35Å; Y321-Q324 VanDerWaalsContact O-N 3.1Å; Y321-E325 PolarHBondContact O-N 3.27Å
322L95.1Very high94.4Very high94 Ų94116.4 Ų116.449%0.49254%0.539SS..Hα-helixtrans-64.1-34.7179.3-68.9171.2000112.6I318 V319 R326I318-L322 HydrophobicContact CG2-CD1 3.93Å; I318-L322 HydrophobicContact CG2-CG 4.46Å; I318-L322 VanDerWaalsContact O-CG 3.3Å; I318-L322 WeakPolarHBondContact O-CG 3.11Å; I318-L322 PolarHBondContact O-N 2.95Å; V319-L322 PolarHBondContact O-N 3.32Å; L322-R326 VanDerWaalsContact O-CB 3.26Å; L322-R326 WeakPolarHBondContact O-CB 3.42Å; L322-R326 PolarHBondContact O-N 3.05Å
323L95.3Very high94Very high96 Ų96117.8 Ų117.850%0.50355%0.545SS..Hα-helixtrans-66.7-39.6172.2-74.9169.5000111.9V319 L320 Y321 R327V319-L323 HydrophobicContact CG1-CD1 3.93Å; V319-L323 HydrophobicContact CG1-CG 4.43Å; V319-L323 WeakPolarHBondContact O-CB 3.28Å; V319-L323 VanDerWaalsContact O-CG 3.25Å; V319-L323 WeakPolarHBondContact O-CG 3.42Å; V319-L323 PolarHBondContact O-N 2.91Å; L320-L323 PolarHBondContact O-N 3.14Å; Y321-L323 VanDerWaalsContact C-N 3.32Å; Y321-L323 PolarHBondContact O-N 2.81Å; L323-R327 WeakPolarHBondContact O-CB 3.39Å; L323-R327 PolarHBondContact O-N 3.18Å
324Q94.8Very high93.7Very high122 Ų122117.8 Ų117.857%0.5755%0.549SS*.Hα-helixtrans-67.5-42.7175.7179.8176.1-10.700112L320 Y321 R327 Q328L320-Q324 WeakPolarHBondContact O-CB 3.21Å; L320-Q324 PolarHBondContact O-N 3.04Å; Y321-Q324 WeakPolarHBondContact O-CB 3.16Å; Y321-Q324 PolarHBondContact O-N 3.35Å; Y321-Q324 VanDerWaalsContact O-N 3.1Å; Q324-R327 PolarHBondContact O-N 2.85Å; Q324-Q328 WeakPolarHBondContact O-CG 3.35Å; Q324-Q328 PolarHBondContact O-N 3.41Å
325E94.3Very high93.4Very high80 Ų80115.1 Ų115.137%0.37454%0.542SS..Hα-helixtrans-63-47.7175.3-173.6176.7-166.200111Y321 R327 Q328 L329Y321-E325 PolarHBondContact O-N 3.27Å; E325-R327 VanDerWaalsContact C-N 3.28Å; E325-R327 PolarHBondContact O-N 3.03Å; E325-Q328 PolarHBondContact O-N 3.14Å; E325-Q328 VanDerWaalsContact O-N 3.08Å; E325-L329 HydrophobicContact CG-CD1 4.2Å; E325-L329 WeakPolarHBondContact O-CG 3.29Å; E325-L329 PolarHBondContact O-N 3.06Å
326R94.4Very high92.7Very high170 Ų170115.1 Ų115.164%0.64254%0.543SS*.Hα-helixtrans-56.7-40.4173.7-178177.7175.3-174.5-2.3112.1L322 L330L322-R326 VanDerWaalsContact O-CB 3.26Å; L322-R326 WeakPolarHBondContact O-CB 3.42Å; L322-R326 PolarHBondContact O-N 3.05Å; R326-L330 HydrophobicContact CG-CD1 4.19Å; R326-L330 WeakPolarHBondContact O-CB 3.44Å; R326-L330 VanDerWaalsContact O-CG 3.27Å; R326-L330 WeakPolarHBondContact O-CG 3.47Å; R326-L330 PolarHBondContact O-N 3.45Å
327R94.4Very high92.1Very high190 Ų190116.8 Ų116.872%0.71755%0.546SS*.Hα-helixtrans-63.8-43.9175.1-176.7180176.6-173.2-0.9111.6L323 Q324 E325 L330 V331L323-R327 WeakPolarHBondContact O-CB 3.39Å; L323-R327 PolarHBondContact O-N 3.18Å; Q324-R327 PolarHBondContact O-N 2.85Å; E325-R327 VanDerWaalsContact C-N 3.28Å; E325-R327 PolarHBondContact O-N 3.03Å; R327-L330 PolarHBondContact O-N 3.47Å; R327-V331 WeakPolarHBondContact O-CG2 3.3Å; R327-V331 PolarHBondContact O-N 3.31Å
328Q93.6Very high91.5Very high102 Ų102112.6 Ų112.648%0.47753%0.534SS..Hα-helixtrans-63.5-43.9177.1-73.1179.767.300112.1Q324 E325 L330 V331 R332Q324-Q328 WeakPolarHBondContact O-CG 3.35Å; Q324-Q328 PolarHBondContact O-N 3.41Å; E325-Q328 PolarHBondContact O-N 3.14Å; E325-Q328 VanDerWaalsContact O-N 3.08Å; Q328-L330 PolarHBondContact O-N 3.22Å; Q328-V331 PolarHBondContact O-N 2.83Å; Q328-R332 PolarHBondContact O-N 3.03Å
329L91.5Very high90.8Very high108 Ų108113.9 Ų113.957%0.56554%0.536SS*.Hα-helixtrans-61.4-42.9176.3-70.5170.6000111.7E325 V331 R332 F333E325-L329 HydrophobicContact CG-CD1 4.2Å; E325-L329 WeakPolarHBondContact O-CG 3.29Å; E325-L329 PolarHBondContact O-N 3.06Å; L329-V331 PolarHBondContact O-N 3.38Å; L329-R332 PolarHBondContact O-N 3.16Å; L329-F333 VanDerWaalsContact O-CB 3.31Å; L329-F333 WeakPolarHBondContact O-CB 3.43Å; L329-F333 PolarHBondContact O-N 2.87Å
330L90.7Very high89.9Confident108 Ų108114 Ų11457%0.56553%0.533SS*.Hα-helixtrans-62.9-39.5175.1-74.1169.8000112.7R326 R327 Q328 A334R326-L330 HydrophobicContact CG-CD1 4.19Å; R326-L330 WeakPolarHBondContact O-CB 3.44Å; R326-L330 VanDerWaalsContact O-CG 3.27Å; R326-L330 WeakPolarHBondContact O-CG 3.47Å; R326-L330 PolarHBondContact O-N 3.45Å; R327-L330 PolarHBondContact O-N 3.47Å; Q328-L330 PolarHBondContact O-N 3.22Å; L330-A334 WeakPolarHBondContact O-CB 3.46Å; L330-A334 PolarHBondContact O-N 2.82Å
331V92.3Very high88.7Confident73 Ų73113.6 Ų113.644%0.44253%0.531SS..Hα-helixtrans-65.4-48.5175.3171.10000110.9R327 Q328 L329 F333 A334 E335R327-V331 WeakPolarHBondContact O-CG2 3.3Å; R327-V331 PolarHBondContact O-N 3.31Å; Q328-V331 PolarHBondContact O-N 2.83Å; L329-V331 PolarHBondContact O-N 3.38Å; V331-F333 VanDerWaalsContact C-N 3.34Å; V331-F333 PolarHBondContact O-N 2.94Å; V331-A334 PolarHBondContact O-N 3.14Å; V331-E335 PolarHBondContact O-N 2.86Å
332R90.3Very high87.9Confident164 Ų164113.7 Ų113.762%0.61954%0.535SS*.Hα-helixtrans-60.6-42.4177.2-72.3-163.4-177.1-1634.9112.3Q328 L329 A334 E335 E336Q328-R332 PolarHBondContact O-N 3.03Å; L329-R332 PolarHBondContact O-N 3.16Å; R332-A334 VanDerWaalsContact C-N 3.33Å; R332-A334 PolarHBondContact O-N 2.79Å; R332-E335 PolarHBondContact O-N 3.39Å; R332-E336 WeakPolarHBondContact O-CB 3.4Å; R332-E336 WeakPolarHBondContact O-CG 3.38Å; R332-E336 PolarHBondContact O-N 3.36Å
333F87.6Confident86.4Confident133 Ų133111.9 Ų111.958%0.58353%0.534SS*.Hα-helixtrans-63.5-37.6176.5-170.3-98.9000112.3L329 V331 R337L329-F333 VanDerWaalsContact O-CB 3.31Å; L329-F333 WeakPolarHBondContact O-CB 3.43Å; L329-F333 PolarHBondContact O-N 2.87Å; V331-F333 VanDerWaalsContact C-N 3.34Å; V331-F333 PolarHBondContact O-N 2.94Å; F333-R337 VanDerWaalsContact O-CB 3.27Å; F333-R337 WeakPolarHBondContact O-CB 3.36Å; F333-R337 PolarHBondContact O-N 2.84Å
334A88Confident84.9Confident59 Ų59114.6 Ų114.649%0.48854%0.541SS..Hα-helixtrans-67.3-41.4173.700000112.3L330 V331 R332 R337 A338L330-A334 WeakPolarHBondContact O-CB 3.46Å; L330-A334 PolarHBondContact O-N 2.82Å; V331-A334 PolarHBondContact O-N 3.14Å; R332-A334 VanDerWaalsContact C-N 3.33Å; R332-A334 PolarHBondContact O-N 2.79Å; A334-R337 PolarHBondContact O-N 2.67Å; A334-A338 WeakPolarHBondContact O-CB 3.27Å; A334-A338 PolarHBondContact O-N 2.95Å
335E88.2Confident83.1Confident94 Ų94112.6 Ų112.644%0.43955%0.546SS..Hα-helixtrans-63.7-44.8174.1-75.1-177.1-154.900112.8V331 R332 A338 K339V331-E335 PolarHBondContact O-N 2.86Å; R332-E335 PolarHBondContact O-N 3.39Å; E335-A338 PolarHBondContact O-N 2.86Å; E335-K339 WeakPolarHBondContact O-CB 3.44Å; E335-K339 VanDerWaalsContact O-CG 3.24Å; E335-K339 WeakPolarHBondContact O-CG 3.28Å; E335-K339 PolarHBondContact O-N 2.68Å; E335-K339 IonicContact OE2-NZ 3.08Å; E335-K339 PolarHBondContact OE2-NZ 2.98Å; E335-K339 VanDerWaalsContact OE2-NZ 3.08Å
336E81.8Confident81.3Confident121 Ų121115.1 Ų115.157%0.56556%0.562SS**Hα-helixtrans-63.3-42.5176.4-76.8176.3-172.600111.1R332 A338 K339 N340R332-E336 WeakPolarHBondContact O-CB 3.4Å; R332-E336 WeakPolarHBondContact O-CG 3.38Å; R332-E336 PolarHBondContact O-N 3.36Å; E336-A338 VanDerWaalsContact C-N 3.33Å; E336-A338 PolarHBondContact O-N 3.34Å; E336-K339 PolarHBondContact O-N 2.82Å; E336-N340 VanDerWaalsContact O-CB 3.28Å; E336-N340 WeakPolarHBondContact O-CB 3.49Å; E336-N340 PolarHBondContact O-N 3.5Å
337R82.6Confident79.1Confident165 Ų165112.8 Ų112.862%0.62356%0.562SS**Hα-helixtrans-61.4-41173.1-170.5178-179.5114-1.9111.6F333 A334 N340 L341F333-R337 VanDerWaalsContact O-CB 3.27Å; F333-R337 WeakPolarHBondContact O-CB 3.36Å; F333-R337 PolarHBondContact O-N 2.84Å; A334-R337 PolarHBondContact O-N 2.67Å; R337-N340 PolarHBondContact O-N 3.46Å; R337-L341 HydrophobicContact CG-CD1 4.2Å; R337-L341 WeakPolarHBondContact O-CB 3.33Å; R337-L341 VanDerWaalsContact O-CG 3.26Å; R337-L341 WeakPolarHBondContact O-CG 3.33Å; R337-L341 PolarHBondContact O-N 2.9Å
338A82.9Confident76.4Confident45 Ų45112 Ų11237%0.37257%0.567SS.*Hα-helixtrans-67.3-39.7175.700000112.6A334 E335 E336 K342A334-A338 WeakPolarHBondContact O-CB 3.27Å; A334-A338 PolarHBondContact O-N 2.95Å; E335-A338 PolarHBondContact O-N 2.86Å; E336-A338 VanDerWaalsContact C-N 3.33Å; E336-A338 PolarHBondContact O-N 3.34Å; A338-K342 WeakPolarHBondContact O-CB 3.4Å; A338-K342 VanDerWaalsContact O-CG 3.3Å; A338-K342 WeakPolarHBondContact O-CG 3.19Å; A338-K342 PolarHBondContact O-N 2.93Å
339K83.5Confident73.7Confident124 Ų124115.5 Ų115.554%0.53958%0.583SS.*Hα-helixtrans-64.1-43173.2-71.4161.4-170.6159.50111E335 E336 K342 A343E335-K339 WeakPolarHBondContact O-CB 3.44Å; E335-K339 VanDerWaalsContact O-CG 3.24Å; E335-K339 WeakPolarHBondContact O-CG 3.28Å; E335-K339 PolarHBondContact O-N 2.68Å; E335-K339 IonicContact OE2-NZ 3.08Å; E335-K339 PolarHBondContact OE2-NZ 2.98Å; E335-K339 VanDerWaalsContact OE2-NZ 3.08Å; E336-K339 PolarHBondContact O-N 2.82Å; K339-K342 PolarHBondContact O-N 2.81Å; K339-A343 WeakPolarHBondContact O-CB 3.39Å; K339-A343 PolarHBondContact O-N 2.93Å
340N76.3Confident71.3Confident84 Ų84116.8 Ų116.845%0.44960%0.595SS.*Hα-helixtrans-67.6-38.4178.2-161-93.3000112.1E336 R337 A343 K344E336-N340 VanDerWaalsContact O-CB 3.28Å; E336-N340 WeakPolarHBondContact O-CB 3.49Å; E336-N340 PolarHBondContact O-N 3.5Å; R337-N340 PolarHBondContact O-N 3.46Å; N340-A343 PolarHBondContact O-N 2.69Å; N340-K344 WeakPolarHBondContact O-CB 3.48Å; N340-K344 WeakPolarHBondContact O-CG 3.33Å; N340-K344 PolarHBondContact O-N 2.9Å; N340-K344 VanDerWaalsContact OD1-CE 3.25Å; N340-K344 WeakPolarHBondContact OD1-CE 3.43Å; N340-K344 PolarHBondContact OD1-NZ 2.87Å
341L70.7Confident69.2Low107 Ų107116.1 Ų116.156%0.5660%0.598SS**Hα-helixtrans-65.2-42.1172-75.8166.3000112R337 K344 A345R337-L341 HydrophobicContact CG-CD1 4.2Å; R337-L341 WeakPolarHBondContact O-CB 3.33Å; R337-L341 VanDerWaalsContact O-CG 3.26Å; R337-L341 WeakPolarHBondContact O-CG 3.33Å; R337-L341 PolarHBondContact O-N 2.9Å; L341-K344 PolarHBondContact O-N 3.08Å; L341-A345 WeakPolarHBondContact O-CB 3.39Å; L341-A345 PolarHBondContact O-N 3.38Å
342K77Confident66.7Low148 Ų148121.1 Ų121.164%0.64362%0.616SS**Hα-helixtrans-64.7-41.6174.3-73.8175.3179.7-173.90112.4A338 K339 K344 A345 N346A338-K342 WeakPolarHBondContact O-CB 3.4Å; A338-K342 VanDerWaalsContact O-CG 3.3Å; A338-K342 WeakPolarHBondContact O-CG 3.19Å; A338-K342 PolarHBondContact O-N 2.93Å; K339-K342 PolarHBondContact O-N 2.81Å; K342-K344 VanDerWaalsContact C-N 3.34Å; K342-K344 PolarHBondContact O-N 3.46Å; K342-A345 PolarHBondContact O-N 2.97Å; K342-N346 PolarHBondContact O-N 3.02Å; K342-N346 PolarHBondContact O-OD1 3.39Å
343A65.3Low64.7Low57 Ų57119.7 Ų119.747%0.47163%0.626SS.*Hα-helixtrans-63.3-40174.700000112K339 N340 A345 N346K339-A343 WeakPolarHBondContact O-CB 3.39Å; K339-A343 PolarHBondContact O-N 2.93Å; N340-A343 PolarHBondContact O-N 2.69Å; A343-A345 VanDerWaalsContact C-N 3.29Å; A343-A345 PolarHBondContact O-N 2.88Å; A343-N346 PolarHBondContact O-N 2.97Å
344K62.2Low62.9Low152 Ų152116.9 Ų116.966%0.66162%0.623SS**Hα-helixtrans-70.3-19.4173.6-77.2170171.9160.40114.4N340 L341 K342N340-K344 WeakPolarHBondContact O-CB 3.48Å; N340-K344 WeakPolarHBondContact O-CG 3.33Å; N340-K344 PolarHBondContact O-N 2.9Å; N340-K344 VanDerWaalsContact OD1-CE 3.25Å; N340-K344 WeakPolarHBondContact OD1-CE 3.43Å; N340-K344 PolarHBondContact OD1-NZ 2.87Å; L341-K344 PolarHBondContact O-N 3.08Å; K342-K344 VanDerWaalsContact C-N 3.34Å; K342-K344 PolarHBondContact O-N 3.46Å
345A58.3Low61.2Low81 Ų81116.6 Ų116.667%0.66962%0.621SS**Hα-helixtrans-87.8-14.3175.100000113.3L341 K342 A343L341-A345 WeakPolarHBondContact O-CB 3.39Å; L341-A345 PolarHBondContact O-N 3.38Å; K342-A345 PolarHBondContact O-N 2.97Å; A343-A345 VanDerWaalsContact C-N 3.29Å; A343-A345 PolarHBondContact O-N 2.88Å
346N55.7Low59.9Low132 Ų132115.5 Ų115.571%0.70663%0.627SS**Hα-helixtrans-102-7.3-175.4-74.610.1000114.2K342 A343K342-N346 PolarHBondContact O-N 3.02Å; K342-N346 PolarHBondContact O-OD1 3.39Å; A343-N346 PolarHBondContact O-N 2.97Å
347N47.7Very low59.1Low121 Ų121112.8 Ų112.865%0.64763%0.625SS**SBendtrans-115.8111.8178.8-7313.3000110.6
348E38.9Very low58.3Low175 Ų175110.7 Ų110.782%0.81862%0.623SS**  trans36.1120.3148.1-63.6167128.100118.7
349E37Very low57.6Low174 Ų174112 Ų11281%0.81363%0.626SS**  59.4107.665.1-62.2-157.7159.700115.2
350T41.2Very low57.2Low135 Ų135111 Ų11183%0.82862%0.623SS**  trans79157.3161.481.70000117.7
351P44.7Very low57.3Low95 Ų95111.9 Ų111.962%0.61763%0.627SS**  -130.8154.2-100.121.44.1000119T353P351-T353 PolarHBondContact O-N 3.21Å
352E41.3Very low57.7Low178 Ų178111.8 Ų111.883%0.83263%0.627SS**SBendtrans69-25138.3-67.3177.9-179.500123.6
353T48.4Very low57.9Low134 Ų134110.7 Ų110.782%0.82262%0.622SS**SBendtrans-97.3-21.9-179.814.90000115.9P351P351-T353 PolarHBondContact O-N 3.21Å
354S49.8Very low58.8Low74 Ų74113.7 Ų113.752%0.51762%0.624SS.*SBendtrans-80.4-28.2173.5-174.20000112.9A356 A357 Q358S354-A356 VanDerWaalsContact C-N 3.31Å; S354-A356 PolarHBondContact O-N 3.49Å; S354-A357 PolarHBondContact O-N 3.31Å; S354-Q358 PolarHBondContact O-N 3.19Å; S354-Q358 PolarHBondContact OG-NE2 2.85Å
355A51.7Low60Low53 Ų53111.4 Ų111.444%0.43862%0.616SS.*Hα-helixtrans-61.5-35.4-174.600000113A357 Q358 V359A355-A357 PolarHBondContact O-N 2.93Å; A355-Q358 PolarHBondContact O-N 2.91Å; A355-V359 VanDerWaalsContact O-CB 3.3Å; A355-V359 WeakPolarHBondContact O-CB 3.49Å; A355-V359 VanDerWaalsContact O-CG2 3.23Å; A355-V359 WeakPolarHBondContact O-CG2 3.37Å; A355-V359 PolarHBondContact O-N 3.37Å
356A60.2Low61.3Low70 Ų70112.8 Ų112.858%0.57961%0.612SS**Hα-helixtrans-61.2-44.3178.100000112.4S354 V359 E360S354-A356 VanDerWaalsContact C-N 3.31Å; S354-A356 PolarHBondContact O-N 3.49Å; A356-V359 PolarHBondContact O-N 3.5Å; A356-E360 WeakPolarHBondContact O-CB 3.36Å; A356-E360 PolarHBondContact O-N 3.47Å
357A65.8Low62.7Low64 Ų64110.7 Ų110.753%0.52960%0.601SS.*Hα-helixtrans-69.4-38.5178.500000112.3S354 A355 E360 L361S354-A357 PolarHBondContact O-N 3.31Å; A355-A357 PolarHBondContact O-N 2.93Å; A357-E360 PolarHBondContact O-N 2.82Å; A357-L361 WeakPolarHBondContact O-CB 3.32Å; A357-L361 PolarHBondContact O-N 3.23Å
358Q65.3Low64.6Low122 Ų122110.6 Ų110.657%0.5760%0.596SS**Hα-helixtrans-68.3-37.5174.4-66.1-173.621.200112.1S354 A355 L361 L362S354-Q358 PolarHBondContact O-N 3.19Å; S354-Q358 PolarHBondContact OG-NE2 2.85Å; A355-Q358 PolarHBondContact O-N 2.91Å; Q358-L361 PolarHBondContact O-N 2.86Å; Q358-L362 WeakPolarHBondContact O-CB 3.36Å; Q358-L362 VanDerWaalsContact O-CG 3.27Å; Q358-L362 WeakPolarHBondContact O-CG 3.46Å; Q358-L362 PolarHBondContact O-N 3.34Å
359V68.9Low66.7Low72 Ų72105.9 Ų105.944%0.43658%0.582SS.*Hα-helixtrans-66.9-37.3173.4167.30000111.2A355 A356 K363A355-V359 VanDerWaalsContact O-CB 3.3Å; A355-V359 WeakPolarHBondContact O-CB 3.49Å; A355-V359 VanDerWaalsContact O-CG2 3.23Å; A355-V359 WeakPolarHBondContact O-CG2 3.37Å; A355-V359 PolarHBondContact O-N 3.37Å; A356-V359 PolarHBondContact O-N 3.5Å; V359-K363 HydrophobicContact CG1-CD 4.15Å; V359-K363 WeakPolarHBondContact O-CB 3.46Å; V359-K363 WeakPolarHBondContact O-CG 3.47Å; V359-K363 PolarHBondContact O-N 3.44Å
360E74.3Confident69.1Low104 Ų104100.8 Ų100.849%0.48656%0.562SS.*Hα-helixtrans-68.1-39.4174.8-158.3-165.4132.900112.1A356 A357 K363 K364A356-E360 WeakPolarHBondContact O-CB 3.36Å; A356-E360 PolarHBondContact O-N 3.47Å; A357-E360 PolarHBondContact O-N 2.82Å; E360-K363 PolarHBondContact O-N 2.87Å; E360-K364 WeakPolarHBondContact O-CG 3.3Å; E360-K364 PolarHBondContact O-N 3.48Å; E360-K364 WeakPolarHBondContact OE1-CE 3.4Å; E360-K364 IonicContact OE1-NZ 2.6Å; E360-K364 PolarHBondContact OE1-NZ 3.39Å
361L78.2Confident71.3Confident102 Ų10299.4 Ų99.453%0.53455%0.547SS..Hα-helixtrans-66.3-43.7174-177.562.3000112A357 Q358 K363 K364 Q365A357-L361 WeakPolarHBondContact O-CB 3.32Å; A357-L361 PolarHBondContact O-N 3.23Å; Q358-L361 PolarHBondContact O-N 2.86Å; L361-K363 VanDerWaalsContact C-N 3.32Å; L361-K363 PolarHBondContact O-N 2.92Å; L361-K364 PolarHBondContact O-N 3.35Å; L361-Q365 WeakPolarHBondContact O-CG 3.44Å; L361-Q365 PolarHBondContact O-N 2.87Å
362L79.8Confident73.3Confident105 Ų10598.1 Ų98.155%0.5554%0.535SS..Hα-helixtrans-66.2-32.9175.6-74.5170.4000112.1Q358 L366Q358-L362 WeakPolarHBondContact O-CB 3.36Å; Q358-L362 VanDerWaalsContact O-CG 3.27Å; Q358-L362 WeakPolarHBondContact O-CG 3.46Å; Q358-L362 PolarHBondContact O-N 3.34Å; L362-L366 VanDerWaalsContact O-CB 3.28Å; L362-L366 WeakPolarHBondContact O-CB 3.17Å; L362-L366 PolarHBondContact O-N 3.32Å
363K81.6Confident75.5Confident124 Ų12493.7 Ų93.754%0.53952%0.516SS..Hα-helixtrans-63.7-47.9169.5-78.8170.61791800111.2V359 E360 L361 Q365 L366 D367V359-K363 HydrophobicContact CG1-CD 4.15Å; V359-K363 WeakPolarHBondContact O-CB 3.46Å; V359-K363 WeakPolarHBondContact O-CG 3.47Å; V359-K363 PolarHBondContact O-N 3.44Å; E360-K363 PolarHBondContact O-N 2.87Å; L361-K363 VanDerWaalsContact C-N 3.32Å; L361-K363 PolarHBondContact O-N 2.92Å; K363-Q365 VanDerWaalsContact C-N 3.32Å; K363-Q365 PolarHBondContact O-N 2.89Å; K363-L366 CarbonylContact O-C 3.6Å; K363-L366 WeakPolarHBondContact O-CA 3.35Å; K363-L366 WeakPolarHBondContact O-CB 3.42Å; K363-L366 PolarHBondContact O-N 2.98Å; K363-D367 VanDerWaalsContact O-CG 3.25Å; K363-D367 PolarHBondContact O-N 2.9Å
364K84.7Confident77.4Confident120 Ų12093.1 Ų93.152%0.52250%0.504SS..Hα-helixtrans-58.8-41175.2-74.8165174.8165.90112.5E360 L361 D367 E368E360-K364 WeakPolarHBondContact O-CG 3.3Å; E360-K364 PolarHBondContact O-N 3.48Å; E360-K364 WeakPolarHBondContact OE1-CE 3.4Å; E360-K364 IonicContact OE1-NZ 2.6Å; E360-K364 PolarHBondContact OE1-NZ 3.39Å; L361-K364 PolarHBondContact O-N 3.35Å; K364-D367 PolarHBondContact O-N 2.94Å; K364-E368 WeakPolarHBondContact O-CB 3.13Å; K364-E368 PolarHBondContact O-N 2.75Å
365Q86Confident79.3Confident105 Ų10594.8 Ų94.849%0.49150%0.502SS..Hα-helixtrans-68.4-34.1173.6-72.6-177.6-20.400113L361 K363 C369L361-Q365 WeakPolarHBondContact O-CG 3.44Å; L361-Q365 PolarHBondContact O-N 2.87Å; K363-Q365 VanDerWaalsContact C-N 3.32Å; K363-Q365 PolarHBondContact O-N 2.89Å; Q365-C369 WeakPolarHBondContact O-CB 3.27Å; Q365-C369 PolarHBondContact O-N 3.1Å
366L85.4Confident80.7Confident109 Ų10997.6 Ų97.657%0.57151%0.506SS*.Hα-helixtrans-66.9-44.5173.8-171.870.5000110.8L362 K363 C369 T370L362-L366 VanDerWaalsContact O-CB 3.28Å; L362-L366 WeakPolarHBondContact O-CB 3.17Å; L362-L366 PolarHBondContact O-N 3.32Å; K363-L366 CarbonylContact O-C 3.6Å; K363-L366 WeakPolarHBondContact O-CA 3.35Å; K363-L366 WeakPolarHBondContact O-CB 3.42Å; K363-L366 PolarHBondContact O-N 2.98Å; L366-C369 PolarHBondContact O-N 2.7Å; L366-T370 WeakPolarHBondContact O-CG2 3.27Å; L366-T370 PolarHBondContact O-N 3.21Å; L366-T370 PolarHBondContact O-OG1 3.26Å
367D85.1Confident82.2Confident89 Ų89102 Ų10248%0.47651%0.508SS..Hα-helixtrans-66.6-36.5178.4-65.3-28.2000112.1K363 K364 T370 Q371K363-D367 VanDerWaalsContact O-CG 3.25Å; K363-D367 PolarHBondContact O-N 2.9Å; K364-D367 PolarHBondContact O-N 2.94Å; D367-T370 WeakPolarHBondContact CA-OG1 3.19Å; D367-T370 PolarHBondContact O-OG1 3.31Å; D367-Q371 WeakPolarHBondContact O-CB 3.31Å; D367-Q371 VanDerWaalsContact O-CG 3.29Å; D367-Q371 WeakPolarHBondContact O-CG 3.34Å; D367-Q371 PolarHBondContact O-N 3.14Å
368E88.6Confident83.3Confident119 Ų119101.2 Ų101.256%0.55650%0.501SS*.Hα-helixtrans-65.8-42.7170.4-177.1176.4-171.200111.4K364 Q371 N372K364-E368 WeakPolarHBondContact O-CB 3.13Å; K364-E368 PolarHBondContact O-N 2.75Å; E368-Q371 PolarHBondContact O-N 3.49Å; E368-N372 WeakPolarHBondContact O-CB 3.37Å; E368-N372 VanDerWaalsContact O-CG 3.23Å; E368-N372 PolarHBondContact O-N 3.01Å; E368-N372 PolarHBondContact O-ND2 3.18Å
369C83.7Confident84.4Confident76 Ų7698.3 Ų98.351%0.51449%0.492SS..Hα-helixtrans-67.2-39.9179.1-166.90000112.1Q365 L366 N372 L373Q365-C369 WeakPolarHBondContact O-CB 3.27Å; Q365-C369 PolarHBondContact O-N 3.1Å; L366-C369 PolarHBondContact O-N 2.7Å; C369-N372 PolarHBondContact O-N 2.82Å; C369-L373 VanDerWaalsContact O-CB 3.24Å; C369-L373 WeakPolarHBondContact O-CB 3.36Å; C369-L373 PolarHBondContact O-N 3.13Å
370T86.2Confident85.3Confident66 Ų66102.8 Ų102.841%0.40550%0.501SS..Hα-helixtrans-66.9-44.3174.453.80000111.4L366 D367 N372 L373 E374L366-T370 WeakPolarHBondContact O-CG2 3.27Å; L366-T370 PolarHBondContact O-N 3.21Å; L366-T370 PolarHBondContact O-OG1 3.26Å; D367-T370 WeakPolarHBondContact CA-OG1 3.19Å; D367-T370 PolarHBondContact O-OG1 3.31Å; T370-N372 VanDerWaalsContact C-N 3.33Å; T370-N372 PolarHBondContact O-N 3.44Å; T370-L373 CarbonylContact O-C 3.58Å; T370-L373 PolarHBondContact O-N 3.3Å; T370-E374 WeakPolarHBondContact O-CG 3.49Å; T370-E374 PolarHBondContact O-N 2.66Å
371Q87.3Confident86.1Confident107 Ų107100.4 Ų100.450%0.550%0.5SS..Hα-helixtrans-60.1-40.9174.1-77.2-177.430.300112.6D367 E368 E374 K375D367-Q371 WeakPolarHBondContact O-CB 3.31Å; D367-Q371 VanDerWaalsContact O-CG 3.29Å; D367-Q371 WeakPolarHBondContact O-CG 3.34Å; D367-Q371 PolarHBondContact O-N 3.14Å; E368-Q371 PolarHBondContact O-N 3.49Å; Q371-E374 PolarHBondContact O-N 2.98Å; Q371-K375 VanDerWaalsContact O-CG 3.26Å; Q371-K375 WeakPolarHBondContact O-CG 3.41Å; Q371-K375 PolarHBondContact O-N 2.95Å
372N87.4Confident86.7Confident68 Ų68102.5 Ų102.536%0.36450%0.504SS..Hα-helixtrans-69.4-36.3177.3-70.4-21.2000111.6E368 C369 T370 K375 E376E368-N372 WeakPolarHBondContact O-CB 3.37Å; E368-N372 VanDerWaalsContact O-CG 3.23Å; E368-N372 PolarHBondContact O-N 3.01Å; E368-N372 PolarHBondContact O-ND2 3.18Å; C369-N372 PolarHBondContact O-N 2.82Å; T370-N372 VanDerWaalsContact C-N 3.33Å; T370-N372 PolarHBondContact O-N 3.44Å; N372-K375 PolarHBondContact O-N 3.48Å; N372-K375 PolarHBondContact OD1-NZ 2.73Å; N372-E376 WeakPolarHBondContact O-CG 3.33Å; N372-E376 PolarHBondContact O-N 2.96Å
373L87.5Confident87.2Confident84 Ų84102.7 Ų102.744%0.4451%0.505SS..Hα-helixtrans-69.4-31.4174.3-166.9146000112.5C369 T370 R377C369-L373 VanDerWaalsContact O-CB 3.24Å; C369-L373 WeakPolarHBondContact O-CB 3.36Å; C369-L373 PolarHBondContact O-N 3.13Å; T370-L373 CarbonylContact O-C 3.58Å; T370-L373 PolarHBondContact O-N 3.3Å; L373-R377 HydrophobicContact CD2-CG 4.36Å; L373-R377 WeakPolarHBondContact O-CB 3.21Å; L373-R377 VanDerWaalsContact O-CG 3.29Å; L373-R377 WeakPolarHBondContact O-CG 3.37Å; L373-R377 PolarHBondContact O-N 3.49Å
374E87.6Confident87.5Confident123 Ų123102.1 Ų102.158%0.57551%0.505SS*.Hα-helixtrans-70.4-40.5170.2-75.7-176.8168.600112.6T370 Q371 E376 R377 A378T370-E374 WeakPolarHBondContact O-CG 3.49Å; T370-E374 PolarHBondContact O-N 2.66Å; Q371-E374 PolarHBondContact O-N 2.98Å; E374-E376 VanDerWaalsContact C-N 3.35Å; E374-E376 PolarHBondContact O-N 3.2Å; E374-R377 PolarHBondContact O-N 2.89Å; E374-A378 WeakPolarHBondContact O-CB 3.46Å; E374-A378 PolarHBondContact O-N 3.44Å
375K89.5Confident87.8Confident109 Ų109102.8 Ų102.847%0.47451%0.51SS..Hα-helixtrans-59.1-46171.4-68.7164.5-156.91610110.9Q371 N372 R377 A378 T379Q371-K375 VanDerWaalsContact O-CG 3.26Å; Q371-K375 WeakPolarHBondContact O-CG 3.41Å; Q371-K375 PolarHBondContact O-N 2.95Å; N372-K375 PolarHBondContact O-N 3.48Å; N372-K375 PolarHBondContact OD1-NZ 2.73Å; K375-R377 PolarHBondContact O-N 3.48Å; K375-A378 WeakPolarHBondContact O-CB 3.44Å; K375-A378 PolarHBondContact O-N 3Å; K375-A378 VanDerWaalsContact O-N 3.15Å; K375-T379 PolarHBondContact O-N 3.39Å; K375-T379 PolarHBondContact O-OG1 3.11Å
376E82.9Confident87.9Confident111 Ų111101 Ų10152%0.51951%0.506SS..Hα-helixtrans-66.3-32.9176.1-77-60.2133.800113.5N372 E374 T379 R380N372-E376 WeakPolarHBondContact O-CG 3.33Å; N372-E376 PolarHBondContact O-N 2.96Å; E374-E376 VanDerWaalsContact C-N 3.35Å; E374-E376 PolarHBondContact O-N 3.2Å; E376-T379 WeakPolarHBondContact CA-OG1 3.42Å; E376-T379 PolarHBondContact O-OG1 3.33Å; E376-R380 WeakPolarHBondContact O-CB 3.4Å; E376-R380 VanDerWaalsContact O-CG 3.29Å; E376-R380 WeakPolarHBondContact O-CG 3.47Å; E376-R380 PolarHBondContact O-N 3.48Å
377R90.3Very high88.2Confident163 Ų16399.1 Ų99.162%0.61550%0.499SS*.Hα-helixtrans-66.5-40.2169.4-78.7172.3173.7166.40111.5L373 E374 K375 R380 A381L373-R377 HydrophobicContact CD2-CG 4.36Å; L373-R377 WeakPolarHBondContact O-CB 3.21Å; L373-R377 VanDerWaalsContact O-CG 3.29Å; L373-R377 WeakPolarHBondContact O-CG 3.37Å; L373-R377 PolarHBondContact O-N 3.49Å; E374-R377 PolarHBondContact O-N 2.89Å; K375-R377 PolarHBondContact O-N 3.48Å; R377-R380 PolarHBondContact O-N 3.41Å; R377-A381 WeakPolarHBondContact O-CB 3.29Å; R377-A381 PolarHBondContact O-N 3.38Å
378A90.1Very high88.5Confident48 Ų48100.3 Ų100.340%0.39750%0.5SS..Hα-helixtrans-69.7-35.2178.400000112.9E374 K375 K382E374-A378 WeakPolarHBondContact O-CB 3.46Å; E374-A378 PolarHBondContact O-N 3.44Å; K375-A378 WeakPolarHBondContact O-CB 3.44Å; K375-A378 PolarHBondContact O-N 3Å; K375-A378 VanDerWaalsContact O-N 3.15Å; A378-K382 VanDerWaalsContact O-CG 3.32Å; A378-K382 WeakPolarHBondContact O-CG 3.18Å; A378-K382 PolarHBondContact O-N 3.26Å
379T87Confident88.5Confident61 Ų6197.7 Ų97.737%0.37449%0.492SS..Hα-helixtrans-69.5-43.4172.155.20000111.3K375 E376 K382 L383K375-T379 PolarHBondContact O-N 3.39Å; K375-T379 PolarHBondContact O-OG1 3.11Å; E376-T379 WeakPolarHBondContact CA-OG1 3.42Å; E376-T379 PolarHBondContact O-OG1 3.33Å; T379-K382 PolarHBondContact O-N 2.96Å; T379-L383 WeakPolarHBondContact O-CG 3.27Å; T379-L383 PolarHBondContact O-N 2.95Å
380R88.3Confident88.8Confident165 Ų16599.9 Ų99.962%0.62349%0.494SS*.Hα-helixtrans-60.6-45.7174-76.1-179.8-176.4-170.31.1113E376 R377 K382 L383 E384E376-R380 WeakPolarHBondContact O-CB 3.4Å; E376-R380 VanDerWaalsContact O-CG 3.29Å; E376-R380 WeakPolarHBondContact O-CG 3.47Å; E376-R380 PolarHBondContact O-N 3.48Å; R377-R380 PolarHBondContact O-N 3.41Å; R380-K382 VanDerWaalsContact C-N 3.28Å; R380-K382 PolarHBondContact O-N 2.95Å; R380-L383 PolarHBondContact O-N 2.91Å; R380-L383 VanDerWaalsContact O-N 3.09Å; R380-E384 WeakPolarHBondContact O-CG 3.27Å; R380-E384 PolarHBondContact O-N 2.87Å
381A91.7Very high89Confident55 Ų55102.3 Ų102.346%0.45550%0.501SS..Hα-helixtrans-59.5-39.1177.500000112.2R377 Q385R377-A381 WeakPolarHBondContact O-CB 3.29Å; R377-A381 PolarHBondContact O-N 3.38Å; A381-Q385 WeakPolarHBondContact O-CB 3.48Å; A381-Q385 PolarHBondContact O-N 3.26Å
382K90.8Very high89.1Confident145 Ų145103.1 Ų103.163%0.6351%0.505SS*.Hα-helixtrans-64.6-44.5172.5-72.6171.5-178.4179.10112A378 T379 R380 Q385 T386A378-K382 VanDerWaalsContact O-CG 3.32Å; A378-K382 WeakPolarHBondContact O-CG 3.18Å; A378-K382 PolarHBondContact O-N 3.26Å; T379-K382 PolarHBondContact O-N 2.96Å; R380-K382 VanDerWaalsContact C-N 3.28Å; R380-K382 PolarHBondContact O-N 2.95Å; K382-Q385 PolarHBondContact O-N 3.33Å; K382-T386 PolarHBondContact O-N 3.45Å
383L88.8Confident89.2Confident110 Ų110104.5 Ų104.558%0.57651%0.513SS*.Hα-helixtrans-64.2-44178.3-72.6170.7000111.9T379 R380 Q385 T386 V387T379-L383 WeakPolarHBondContact O-CG 3.27Å; T379-L383 PolarHBondContact O-N 2.95Å; R380-L383 PolarHBondContact O-N 2.91Å; R380-L383 VanDerWaalsContact O-N 3.09Å; L383-Q385 VanDerWaalsContact C-N 3.29Å; L383-Q385 PolarHBondContact O-N 3.37Å; L383-T386 WeakPolarHBondContact CA-OG1 3.37Å; L383-T386 PolarHBondContact O-N 3.25Å; L383-T386 VanDerWaalsContact O-N 3.11Å; L383-T386 PolarHBondContact O-OG1 2.84Å; L383-V387 WeakPolarHBondContact O-CG2 3.28Å; L383-V387 PolarHBondContact O-N 2.94Å
384E89.6Confident89.3Confident112 Ų112105.8 Ų105.852%0.52352%0.519SS..Hα-helixtrans-59.5-38.8173.6-74.3178.5-160.300112.2R380 V387 K388R380-E384 WeakPolarHBondContact O-CG 3.27Å; R380-E384 PolarHBondContact O-N 2.87Å; E384-V387 PolarHBondContact O-N 3.34Å; E384-K388 WeakPolarHBondContact O-CG 3.29Å; E384-K388 PolarHBondContact O-N 3.23Å
385Q89.9Confident89.3Confident134 Ų134104.1 Ų104.163%0.62652%0.518SS*.Hα-helixtrans-65.3-41.3173.8-169.1174.69.400111.6A381 K382 L383 K388 T389A381-Q385 WeakPolarHBondContact O-CB 3.48Å; A381-Q385 PolarHBondContact O-N 3.26Å; K382-Q385 PolarHBondContact O-N 3.33Å; L383-Q385 VanDerWaalsContact C-N 3.29Å; L383-Q385 PolarHBondContact O-N 3.37Å; Q385-K388 PolarHBondContact O-N 2.81Å; Q385-T389 PolarHBondContact O-N 3.49Å; Q385-T389 PolarHBondContact O-OG1 3.21Å; Q385-T389 VanDerWaalsContact O-OG1 3.12Å
386T89.3Confident89.4Confident66 Ų66103.7 Ų103.741%0.40552%0.52SS..Hα-helixtrans-65.7-36.3175.656.10000113.2K382 L383 T389 Q390K382-T386 PolarHBondContact O-N 3.45Å; L383-T386 WeakPolarHBondContact CA-OG1 3.37Å; L383-T386 PolarHBondContact O-N 3.25Å; L383-T386 VanDerWaalsContact O-N 3.11Å; L383-T386 PolarHBondContact O-OG1 2.84Å; T386-T389 WeakPolarHBondContact CA-OG1 3.41Å; T386-T389 PolarHBondContact O-OG1 3.29Å; T386-Q390 VanDerWaalsContact O-CG 3.3Å; T386-Q390 WeakPolarHBondContact O-CG 3.37Å; T386-Q390 PolarHBondContact O-N 3.49Å
387V90.4Very high89.8Confident71 Ų71102.8 Ų102.843%0.4352%0.518SS..Hα-helixtrans-66.1-46.71751720000110.4L383 E384 T389 Q390 E391L383-V387 WeakPolarHBondContact O-CG2 3.28Å; L383-V387 PolarHBondContact O-N 2.94Å; E384-V387 PolarHBondContact O-N 3.34Å; V387-T389 PolarHBondContact O-N 3.22Å; V387-Q390 CarbonylContact O-C 3.58Å; V387-Q390 WeakPolarHBondContact O-CB 3.34Å; V387-Q390 PolarHBondContact O-N 3.16Å; V387-E391 HydrophobicContact CG1-CG 4.37Å; V387-E391 WeakPolarHBondContact O-CG 3.46Å; V387-E391 PolarHBondContact O-N 3.44Å
388K91.1Very high89.7Confident114 Ų114104.1 Ų104.150%0.49652%0.523SS..Hα-helixtrans-58.2-44.5177.2-74.1166.8-178.51660112.4E384 Q385 Q390 E391 E392E384-K388 WeakPolarHBondContact O-CG 3.29Å; E384-K388 PolarHBondContact O-N 3.23Å; Q385-K388 PolarHBondContact O-N 2.81Å; K388-Q390 VanDerWaalsContact C-N 3.32Å; K388-Q390 PolarHBondContact O-N 3.49Å; K388-E391 PolarHBondContact O-N 2.96Å; K388-E392 WeakPolarHBondContact O-CG 3.49Å; K388-E392 PolarHBondContact O-N 2.73Å
389T89.4Confident89.6Confident63 Ų63107.5 Ų107.539%0.38753%0.53SS..Hα-helixtrans-64.5-35.1175.248.20000112.8Q385 T386 V387 E392 D393Q385-T389 PolarHBondContact O-N 3.49Å; Q385-T389 PolarHBondContact O-OG1 3.21Å; Q385-T389 VanDerWaalsContact O-OG1 3.12Å; T386-T389 WeakPolarHBondContact CA-OG1 3.41Å; T386-T389 PolarHBondContact O-OG1 3.29Å; V387-T389 PolarHBondContact O-N 3.22Å; T389-E392 PolarHBondContact O-N 3.4Å; T389-D393 PolarHBondContact O-N 2.82Å
390Q89.7Confident89.7Confident122 Ų122107.5 Ų107.557%0.5753%0.53SS*.Hα-helixtrans-70.4-35174.5-74.5175.7-3.800112.5T386 V387 K388 L394T386-Q390 VanDerWaalsContact O-CG 3.3Å; T386-Q390 WeakPolarHBondContact O-CG 3.37Å; T386-Q390 PolarHBondContact O-N 3.49Å; V387-Q390 CarbonylContact O-C 3.58Å; V387-Q390 WeakPolarHBondContact O-CB 3.34Å; V387-Q390 PolarHBondContact O-N 3.16Å; K388-Q390 VanDerWaalsContact C-N 3.32Å; K388-Q390 PolarHBondContact O-N 3.49Å; Q390-L394 WeakPolarHBondContact O-CB 3.5Å; Q390-L394 VanDerWaalsContact O-CG 3.26Å; Q390-L394 WeakPolarHBondContact O-CG 3.43Å; Q390-L394 PolarHBondContact O-N 3.35Å
391E89.7Confident89.7Confident117 Ų117104.3 Ų104.355%0.54753%0.525SS..Hα-helixtrans-65.2-45172.7-71.5178.515400111V387 K388 L394 T395V387-E391 HydrophobicContact CG1-CG 4.37Å; V387-E391 WeakPolarHBondContact O-CG 3.46Å; V387-E391 PolarHBondContact O-N 3.44Å; K388-E391 PolarHBondContact O-N 2.96Å; E391-L394 PolarHBondContact O-N 2.89Å; E391-T395 WeakPolarHBondContact O-CG2 3.44Å; E391-T395 PolarHBondContact O-N 2.77Å
392E89.8Confident89.2Confident125 Ų125106.9 Ų106.958%0.58453%0.53SS*.Hα-helixtrans-56.8-50173.4-72.8169.3-17200111.2K388 T389 L394 T395 L396K388-E392 WeakPolarHBondContact O-CG 3.49Å; K388-E392 PolarHBondContact O-N 2.73Å; T389-E392 PolarHBondContact O-N 3.4Å; E392-L394 PolarHBondContact O-N 3.07Å; E392-T395 PolarHBondContact O-N 2.86Å; E392-T395 PolarHBondContact O-OG1 3.42Å; E392-L396 PolarHBondContact O-N 3.2Å
393D89.9Confident88.9Confident97 Ų97103.8 Ų103.852%0.51952%0.52SS..Hα-helixtrans-57.8-43.9175.2-81.5-21.1000112.6T389 T395 L396 I397T389-D393 PolarHBondContact O-N 2.82Å; D393-T395 PolarHBondContact O-N 2.98Å; D393-L396 PolarHBondContact O-N 2.68Å; D393-I397 VanDerWaalsContact O-CG1 3.27Å; D393-I397 WeakPolarHBondContact O-CG1 3.23Å; D393-I397 PolarHBondContact O-N 3.15Å
394L88.7Confident88.7Confident110 Ų110105.2 Ų105.258%0.57652%0.522SS*.Hα-helixtrans-65.7-35.7177.4-74.9171.8000112.5Q390 E391 E392 R398Q390-L394 WeakPolarHBondContact O-CB 3.5Å; Q390-L394 VanDerWaalsContact O-CG 3.26Å; Q390-L394 WeakPolarHBondContact O-CG 3.43Å; Q390-L394 PolarHBondContact O-N 3.35Å; E391-L394 PolarHBondContact O-N 2.89Å; E392-L394 PolarHBondContact O-N 3.07Å; L394-R398 PolarHBondContact O-N 3.48Å
395T88.8Confident88.3Confident89 Ų89103.8 Ų103.855%0.54652%0.521SS..Hα-helixtrans-68-40.8173.263.90000111.8E391 E392 D393 I397 R398 Q399E391-T395 WeakPolarHBondContact O-CG2 3.44Å; E391-T395 PolarHBondContact O-N 2.77Å; E392-T395 PolarHBondContact O-N 2.86Å; E392-T395 PolarHBondContact O-OG1 3.42Å; D393-T395 PolarHBondContact O-N 2.98Å; T395-I397 PolarHBondContact O-N 3.38Å; T395-R398 PolarHBondContact O-N 3.5Å; T395-Q399 WeakPolarHBondContact O-CB 3.3Å; T395-Q399 PolarHBondContact O-N 3.16Å
396L90.9Very high87.8Confident99 Ų99103.8 Ų103.852%0.51852%0.519SS..Hα-helixtrans-63.2-40.7175.8-170.671.1000111.7E392 D393 Q399 T400E392-L396 PolarHBondContact O-N 3.2Å; D393-L396 PolarHBondContact O-N 2.68Å; L396-Q399 PolarHBondContact O-N 3.15Å; L396-T400 VanDerWaalsContact O-CB 3.3Å; L396-T400 WeakPolarHBondContact O-CB 3.49Å; L396-T400 PolarHBondContact O-N 2.84Å; L396-T400 PolarHBondContact O-OG1 3.14Å
397I90.8Very high86.9Confident92 Ų92106.7 Ų106.747%0.47253%0.528SS..Hα-helixtrans-63.6-47.9174.2-70164.7000110.6D393 T395 Q399 T400 I401D393-I397 VanDerWaalsContact O-CG1 3.27Å; D393-I397 WeakPolarHBondContact O-CG1 3.23Å; D393-I397 PolarHBondContact O-N 3.15Å; T395-I397 PolarHBondContact O-N 3.38Å; I397-Q399 PolarHBondContact O-N 3.02Å; I397-T400 PolarHBondContact O-N 3.48Å; I397-I401 HydrophobicContact CG2-CD1 3.83Å; I397-I401 HydrophobicContact CG2-CG1 4.5Å; I397-I401 WeakPolarHBondContact O-CG1 3.49Å; I397-I401 PolarHBondContact O-N 3.09Å
398R89.9Confident85.7Confident191 Ų191106.4 Ų106.472%0.72153%0.529SS*.Hα-helixtrans-57.1-46.5175-85.1-178.7170.3167.3-1.2111.9L394 T395 T400 I401 L402L394-R398 PolarHBondContact O-N 3.48Å; T395-R398 PolarHBondContact O-N 3.5Å; R398-T400 VanDerWaalsContact C-N 3.33Å; R398-T400 PolarHBondContact O-N 3.28Å; R398-I401 PolarHBondContact O-N 2.99Å; R398-L402 WeakPolarHBondContact O-CB 3.5Å; R398-L402 WeakPolarHBondContact O-CG 3.41Å; R398-L402 PolarHBondContact O-N 3.44Å
399Q86.8Confident84.1Confident119 Ų119104.7 Ų104.756%0.55653%0.531SS*.Hα-helixtrans-65.4-37.7179.4-161.6178.628.700111.8T395 L396 I397 L402 N403T395-Q399 WeakPolarHBondContact O-CB 3.3Å; T395-Q399 PolarHBondContact O-N 3.16Å; L396-Q399 PolarHBondContact O-N 3.15Å; I397-Q399 PolarHBondContact O-N 3.02Å; Q399-L402 PolarHBondContact O-N 3.31Å; Q399-N403 VanDerWaalsContact O-CB 3.32Å; Q399-N403 WeakPolarHBondContact O-CB 3.35Å; Q399-N403 VanDerWaalsContact O-CG 3.32Å; Q399-N403 PolarHBondContact O-N 3.49Å
400T89.5Confident82.6Confident62 Ų62107.4 Ų107.438%0.3854%0.543SS..Hα-helixtrans-64.7-42.5174.6-60.70000111.9L396 I397 R398 K404L396-T400 VanDerWaalsContact O-CB 3.3Å; L396-T400 WeakPolarHBondContact O-CB 3.49Å; L396-T400 PolarHBondContact O-N 2.84Å; L396-T400 PolarHBondContact O-OG1 3.14Å; I397-T400 PolarHBondContact O-N 3.48Å; R398-T400 VanDerWaalsContact C-N 3.33Å; R398-T400 PolarHBondContact O-N 3.28Å; T400-K404 HydrophobicContact CG2-CD 4.36Å; T400-K404 WeakPolarHBondContact O-CB 3.41Å; T400-K404 WeakPolarHBondContact O-CG 3.39Å; T400-K404 PolarHBondContact O-N 3.13Å
401I87.6Confident80.9Confident98 Ų98111.7 Ų111.750%0.50355%0.554SS.*Hα-helixtrans-64.4-48.5175.6-67.7166.1000110.1I397 R398 N403 K404 V405I397-I401 HydrophobicContact CG2-CD1 3.83Å; I397-I401 HydrophobicContact CG2-CG1 4.5Å; I397-I401 WeakPolarHBondContact O-CG1 3.49Å; I397-I401 PolarHBondContact O-N 3.09Å; R398-I401 PolarHBondContact O-N 2.99Å; I401-N403 VanDerWaalsContact C-N 3.32Å; I401-N403 PolarHBondContact O-N 2.79Å; I401-K404 PolarHBondContact O-N 2.84Å; I401-K404 VanDerWaalsContact O-N 3.17Å; I401-V405 HydrophobicContact CG2-CG2 4.41Å; I401-V405 WeakPolarHBondContact O-CG2 3.34Å; I401-V405 PolarHBondContact O-N 2.84Å
402L83Confident79.1Confident108 Ų108114.6 Ų114.657%0.56557%0.567SS**Hα-helixtrans-60.5-40.2178-72.3171.1000112.4R398 Q399 V405 K406R398-L402 WeakPolarHBondContact O-CB 3.5Å; R398-L402 WeakPolarHBondContact O-CG 3.41Å; R398-L402 PolarHBondContact O-N 3.44Å; Q399-L402 PolarHBondContact O-N 3.31Å; L402-V405 PolarHBondContact O-N 3.33Å; L402-K406 WeakPolarHBondContact O-CB 3.47Å; L402-K406 WeakPolarHBondContact O-CG 3.32Å; L402-K406 PolarHBondContact O-N 3.2Å
403N82.8Confident77.1Confident80 Ų80117.7 Ų117.743%0.42858%0.579SS.*Hα-helixtrans-68.2-38.1175.5-77.1-16.6000112.2Q399 I401 K406 Q407Q399-N403 VanDerWaalsContact O-CB 3.32Å; Q399-N403 WeakPolarHBondContact O-CB 3.35Å; Q399-N403 VanDerWaalsContact O-CG 3.32Å; Q399-N403 PolarHBondContact O-N 3.49Å; I401-N403 VanDerWaalsContact C-N 3.32Å; I401-N403 PolarHBondContact O-N 2.79Å; N403-K406 PolarHBondContact O-N 3.17Å; N403-Q407 WeakPolarHBondContact O-CB 3.4Å; N403-Q407 VanDerWaalsContact O-CG 3.3Å; N403-Q407 WeakPolarHBondContact O-CG 3.37Å; N403-Q407 PolarHBondContact O-N 2.85Å
404K84.5Confident74.5Confident140 Ų140117 Ų11761%0.60958%0.582SS**Hα-helixtrans-63.4-43.8172.6-77.2176.7178.6-179.70111.9T400 I401 Q407 S408T400-K404 HydrophobicContact CG2-CD 4.36Å; T400-K404 WeakPolarHBondContact O-CB 3.41Å; T400-K404 WeakPolarHBondContact O-CG 3.39Å; T400-K404 PolarHBondContact O-N 3.13Å; I401-K404 PolarHBondContact O-N 2.84Å; I401-K404 VanDerWaalsContact O-N 3.17Å; K404-Q407 PolarHBondContact O-N 3.13Å; K404-S408 PolarHBondContact O-N 3.25Å; K404-S408 PolarHBondContact O-OG 2.85Å
405V82.6Confident71.9Confident83 Ų83120.7 Ų120.750%0.50360%0.596SS.*Hα-helixtrans-64.2-42176.6172.30000111.5I401 L402 S408 S409I401-V405 HydrophobicContact CG2-CG2 4.41Å; I401-V405 WeakPolarHBondContact O-CG2 3.34Å; I401-V405 PolarHBondContact O-N 2.84Å; L402-V405 PolarHBondContact O-N 3.33Å; V405-S408 WeakPolarHBondContact CA-OG 3.35Å; V405-S408 PolarHBondContact O-N 2.91Å; V405-S408 PolarHBondContact O-OG 2.86Å; V405-S409 VanDerWaalsContact O-CB 3.3Å; V405-S409 WeakPolarHBondContact O-CB 3.45Å; V405-S409 PolarHBondContact O-N 3.5Å
406K78.3Confident69.3Low134 Ų134122.6 Ų122.658%0.58361%0.61SS**Hα-helixtrans-63.5-42.3172.7-75.9179.1177.3-177.50111.9L402 N403 S409 L410L402-K406 WeakPolarHBondContact O-CB 3.47Å; L402-K406 WeakPolarHBondContact O-CG 3.32Å; L402-K406 PolarHBondContact O-N 3.2Å; N403-K406 PolarHBondContact O-N 3.17Å; K406-S409 PolarHBondContact O-N 3.16Å; K406-L410 WeakPolarHBondContact O-CB 3.37Å; K406-L410 WeakPolarHBondContact O-CG 3.49Å; K406-L410 PolarHBondContact O-N 2.75Å
407Q70.4Confident66.6Low127 Ų127124.6 Ų124.659%0.59363%0.626SS**Hα-helixtrans-66.4-37.7177-77.9-1790.700112.9N403 K404 R411N403-Q407 WeakPolarHBondContact O-CB 3.4Å; N403-Q407 VanDerWaalsContact O-CG 3.3Å; N403-Q407 WeakPolarHBondContact O-CG 3.37Å; N403-Q407 PolarHBondContact O-N 2.85Å; K404-Q407 PolarHBondContact O-N 3.13Å; Q407-R411 VanDerWaalsContact O-CB 3.29Å; Q407-R411 WeakPolarHBondContact O-CB 3.34Å; Q407-R411 WeakPolarHBondContact O-CG 3.28Å; Q407-R411 PolarHBondContact O-N 3.45Å
408S65.2Low64Low65 Ų65129.4 Ų129.446%0.45565%0.646SS.*Hα-helixtrans-68.2-39.217353.70000111.9K404 V405 R411 Q412K404-S408 PolarHBondContact O-N 3.25Å; K404-S408 PolarHBondContact O-OG 2.85Å; V405-S408 WeakPolarHBondContact CA-OG 3.35Å; V405-S408 PolarHBondContact O-N 2.91Å; V405-S408 PolarHBondContact O-OG 2.86Å; S408-R411 PolarHBondContact O-N 3.5Å; S408-Q412 PolarHBondContact O-N 2.92Å
409S58.8Low61.4Low77 Ų77124.4 Ų124.454%0.53865%0.646SS.*Hα-helixtrans-66.9-36.2176.5-170.90000112.8V405 K406V405-S409 VanDerWaalsContact O-CB 3.3Å; V405-S409 WeakPolarHBondContact O-CB 3.45Å; V405-S409 PolarHBondContact O-N 3.5Å; K406-S409 PolarHBondContact O-N 3.16Å
410L57.5Low59.2Low121 Ų121124.5 Ų124.563%0.63466%0.657SS**Hα-helixtrans-73.6-40.1173.7-80.7157.7000112.3K406 Q412 K413 S414K406-L410 WeakPolarHBondContact O-CB 3.37Å; K406-L410 WeakPolarHBondContact O-CG 3.49Å; K406-L410 PolarHBondContact O-N 2.75Å; L410-Q412 PolarHBondContact O-N 3.12Å; L410-K413 PolarHBondContact O-N 3.47Å; L410-S414 PolarHBondContact O-OG 2.81Å
411R52.8Low56.7Low211 Ų211126.8 Ų126.880%0.79668%0.676SS**Hα-helixtrans-64-24.9177.1-83.3-177.4161.4-144.4-5.6113.9Q407 S408 K413Q407-R411 VanDerWaalsContact O-CB 3.29Å; Q407-R411 WeakPolarHBondContact O-CB 3.34Å; Q407-R411 WeakPolarHBondContact O-CG 3.28Å; Q407-R411 PolarHBondContact O-N 3.45Å; S408-R411 PolarHBondContact O-N 3.5Å; R411-K413 VanDerWaalsContact C-N 3.28Å
412Q53.3Low54.1Low178 Ų178127.4 Ų127.483%0.83268%0.684SS**THydrogen-bonded Turntrans-78.8-5.8172.7-76.5-178.2-33.100114.1S408 L410S408-Q412 PolarHBondContact O-N 2.92Å; L410-Q412 PolarHBondContact O-N 3.12Å
413K46.9Very low51.7Low191 Ų191129.2 Ų129.283%0.8369%0.694SS**THydrogen-bonded Turntrans-116.47-174.8-151.7162.9-175.1173.20114.6L410 R411L410-K413 PolarHBondContact O-N 3.47Å; R411-K413 VanDerWaalsContact C-N 3.28Å
414S34.9Very low49.5Very low83 Ų83131.8 Ų131.858%0.5871%0.712SS**  trans-152.675.6-17864.80000114.7L410L410-S414 PolarHBondContact O-OG 2.81Å
415Q34.6Very low47.1Very low186 Ų186131.3 Ų131.387%0.86972%0.721SS**  trans-146.5112.4150.9-81.5-156-40.900110.9
416P33.5Very low44.9Very low129 Ų129136.4 Ų136.484%0.83874%0.736SS**  trans-79.9159.7155.933.5-30.3000110.7
417V34.2Very low42.8Very low141 Ų141138.4 Ų138.486%0.85575%0.75SS**  trans-82.8138.2-169.7175.70000112.1
418E37.5Very low41.2Very low193 Ų193137.3 Ų137.390%0.90276%0.763SS**  trans-158.6150.8142.9-119.7170.5-157.700112.9
419A34Very low39.9Very low87 Ų87139.6 Ų139.672%0.71978%0.776SS**  trans-153.6-172.3-17700000107.6
420P42Very low38.6Very low121 Ų121144.6 Ų144.679%0.78679%0.788SS**  cis-128.4173.2-2635.6-19.1000112.6
421S36.1Very low37.4Very low110 Ų110146.1 Ų146.177%0.76979%0.794SS**  trans173.7104.3153-178.20000109.3
422V33Very low36.5Very low111 Ų111141.2 Ų141.267%0.67379%0.792SS**  80.5117.674173.10000114.3
423N33.7Very low35.9Very low146 Ų146138.1 Ų138.178%0.78179%0.787SS**  trans66.1128.8166.9-56.4-20.3000117.8
424T35.3Very low35.3Very low133 Ų133135.3 Ų135.382%0.81678%0.781SS**  -170.8145.467.2-65.40000112.1
425V34.9Very low35.5Very low131 Ų131136.3 Ų136.379%0.79478%0.78SS**  trans-79.2124.8170173.90000111.1
426K35.6Very low35.8Very low189 Ų189133.4 Ų133.482%0.82277%0.766SS**  trans-172.4120.6141.8-109.4163.3-175.8177.40115.1
427M35.2Very low36.1Very low176 Ų176135.4 Ų135.487%0.86776%0.762SS**  trans23.8123137.2-57-61.1-157.400120.5
428A35.8Very low36.4Very low104 Ų104137.3 Ų137.386%0.8676%0.759SS**  trans-156.5117.3139.900000111.5
429P37.7Very low36.3Very low113 Ų113133.5 Ų133.573%0.73475%0.749SS**  trans-110.1150.5169.236.6-28.5000113.4
430K31.6Very low36.5Very low183 Ų183136 Ų13680%0.79675%0.747SS**  trans68.7120.9150.2-79.2-174.8168.4-176.80121.5
431M33Very low36.5Very low153 Ų153137.8 Ų137.875%0.75475%0.745SS**  92.1118.2120.6-73.4179.57700122.6
432S33.7Very low36.5Very low107 Ų107138.6 Ų138.675%0.74874%0.74SS**  trans76.4169.3133.3-118.40000118.1
433P41.1Very low36.7Very low113 Ų113139.5 Ų139.573%0.73474%0.741SS**  -133.3-172.9-107.936.6-15.2000114.8
434N34.7Very low36.7Very low132 Ų132138.6 Ų138.671%0.70674%0.736SS**  trans118.7146.4131.9-152.426.7000118.5
435D38.7Very low36.6Very low105 Ų105142.4 Ų142.456%0.56174%0.736SS**  trans66.5100.6155.7-76.2-31.8000124
436Q40Very low36.4Very low124 Ų124145 Ų14558%0.57974%0.736SS**  93.7133111.5-81.11765000122.8
437K41Very low36.5Very low172 Ų172143.7 Ų143.775%0.74873%0.733SS**  trans72.4137.9155.6-64.7151.7178.9151.90114.8
438K39.5Very low36.6Very low180 Ų180140.7 Ų140.778%0.78373%0.727SS**  cis-162.8146.35.5-132-170.5176.4-1780108.4
439V35.6Very low36.6Very low114 Ų114140.1 Ų140.169%0.69172%0.716SS**  trans66.9136.6143.21660000116.8
440M39Very low36.8Very low138 Ų138139.8 Ų139.868%0.6871%0.714SS**  cis-150.7146.711.4-161.492.676.100110
441Q42.2Very low36.9Very low160 Ų160138.8 Ų138.875%0.74872%0.716SS**  trans54.3144.6148.1-79.2166.144.200120.2
442L35.2Very low37.3Very low127 Ų127134.9 Ų134.967%0.66571%0.709SS**  cis-152.1135.28.5-146.7138.4000110.4
443N37.7Very low37.8Very low130 Ų130139.4 Ų139.470%0.69572%0.715SS**  trans42.6123.8164.6-59.65.7000121.2
444D32.8Very low37.7Very low127 Ų127139.6 Ų139.668%0.67972%0.719SS**  71134.564.9-91.3-36.4000114
445R33.2Very low37.8Very low213 Ų213137.8 Ų137.880%0.80472%0.722SS**  cis-163.3156.81.2-161.5161.9169.9150.5-14.2113.2
446K31.6Very low38Very low186 Ų186139.1 Ų139.181%0.80974%0.737SS**  trans-41.3150.4168.5-66.3167.2-179.7178.60115.2
447Q36.4Very low37.7Very low160 Ų160136 Ų13675%0.74874%0.738SS**  56.6149.468.1-88.7-109.92.800113.3
448P37.6Very low37.5Very low114 Ų114136.9 Ų136.974%0.7475%0.749SS**  cis-150-171.529.642.1-19000119.7
449S35.6Very low37.4Very low92 Ų92131.7 Ų131.764%0.64375%0.747SS**  trans-41.5-158.9162.7-26.70000119.1
450P42.8Very low37.3Very low106 Ų106133.1 Ų133.169%0.68876%0.756SS**  cis-145.5-160.4-7.330.4-3000116.9
451L34.5Very low37.3Very low161 Ų161132.6 Ų132.684%0.84376%0.763SS**  trans89.2140.8153.6-64.2153.5000118.7
452A40.2Very low36.8Very low71 Ų71129.3 Ų129.359%0.58776%0.763SS**  cis-168.9173.5-6.800000114.2
453K43.5Very low36.9Very low202 Ų202130 Ų13088%0.87877%0.772SS**  trans81.8142.6162.8-49171.8-174.1176.50117.7
454S40Very low36.6Very low117 Ų117128.2 Ų128.282%0.81877%0.77SS**  cis-165.6152.8-32.149.80000110
455A36.5Very low36.8Very low94 Ų94129.5 Ų129.578%0.77778%0.777SS**  trans-77.8-16817900000112.7
456P42.5Very low36.9Very low134 Ų134126 Ų12687%0.8777%0.774SS**  cis-131.5-168.39.143.4-23.9000113.7
457G33.6Very low37.1Very low59 Ų59126.2 Ų126.261%0.60878%0.776SS**  cis171.2-173.40.500000111.1
458I38.1Very low37Very low189 Ų189123.3 Ų123.397%0.96977%0.773SS**  trans78130-175.3-46.9161.6000113.4
459G36.4Very low37Very low72 Ų72127 Ų12774%0.74277%0.772SS**  cis-178.6132.7-7.100000111.6
460T33.9Very low37.3Very low144 Ų144132 Ų13288%0.88378%0.778SS**  trans-80171.7174.621.80000111.6
461P39.6Very low36.8Very low126 Ų126136 Ų13682%0.81879%0.787SS**  cis-147-178.338.242.3-20.2000118.9
462A30.8Very low37Very low91 Ų91135.3 Ų135.375%0.75278%0.783SS**  trans-84.4162.7179.300000113.7
463T37Very low36.8Very low141 Ų141139.4 Ų139.487%0.86580%0.795SS**  trans-122111.4151.3520000108.5
464S31.9Very low36.6Very low94 Ų94135.4 Ų135.466%0.65779%0.792SS**  trans-69.1157.4152.552.90000109
465D36.6Very low36.4Very low153 Ų153141 Ų14182%0.81880%0.795SS**  -173.6141109.3-87-6.3000111.5
466D35.2Very low36.5Very low139 Ų139142 Ų14274%0.74379%0.794SS**  trans-63154.6179.8-77.4-68.7000113.4
467F36.5Very low36.2Very low192 Ų192145 Ų14584%0.84279%0.793SS**  trans-151.8101.4131.8-114.4-72.2000113
468S34.7Very low36.3Very low99 Ų99150.8 Ų150.869%0.69281%0.807SS**  trans-72.6126.6169.7-73.60000112.4
469R37.7Very low36.2Very low192 Ų192149.8 Ų149.873%0.72580%0.802SS**  trans-169.1163.5146.5-123.5165.3-91.5-161.3-7.8113.7
470Y40.4Very low36.1Very low195 Ų195151.6 Ų151.677%0.76580%0.802SS**  trans85.965.1170.8-49.1-66.4000119.1
471H33.9Very low36.2Very low190 Ų190152.8 Ų152.888%0.8880%0.803SS**  -73.4128118.2-82.6-88.6000107.9
472I37.8Very low35.9Very low147 Ų147153.9 Ų153.975%0.75480%0.802SS**  trans176.7150.1155.6-99.1152.5000109.7
473L36.9Very low36.3Very low158 Ų158159 Ų15983%0.82781%0.81SS**  trans83.367.9179.1-53.1-173.2000119.1
474S38.4Very low36Very low118 Ų118160.4 Ų160.483%0.82581%0.807SS**  trans-56.1141.8139.4-59.10000110.9
475R36.7Very low36.1Very low234 Ų234162 Ų16288%0.88381%0.814SS**  trans-53.9130.9175.5-72.4171.5161.9-174.9-6.4112.6
476P37.4Very low36.1Very low115 Ų115160.9 Ų160.975%0.74781%0.812SS**  trans-84.9114.5155.431.4-27.4000109.8M478P476-M478 PolarHBondContact O-N 3.19Å
477K37Very low36Very low196 Ų196158.9 Ų158.985%0.85282%0.815SS**  trans-72.4121.8161.9-73.1179.7177.61780107.6
478M35Very low35.9Very low182 Ų182153.9 Ų153.990%0.89781%0.808SS**  trans-98.4108.1166.7-77-69.3-6700108.6P476P476-M478 PolarHBondContact O-N 3.19Å
479L35.5Very low36Very low167 Ų167154.3 Ų154.387%0.87481%0.812SS**  trans-141.9140.3167-112.9160.3000107.8
480C34.3Very low36Very low111 Ų111151.2 Ų151.275%0.7581%0.814SS**  trans-71.6154.7-173.4-58.50000112
481D37Very low35.7Very low169 Ų169147.5 Ų147.590%0.90481%0.812SS**  trans-143139.7142.4-105.3-37.9000111
482N33.8Very low35.8Very low149 Ų149144 Ų14480%0.79780%0.804SS**  trans-95.8140.7175.2-69.8-42.9000109.3
483Q37.7Very low35.6Very low197 Ų197147.8 Ų147.892%0.92181%0.809SS**  trans-150124.8146.2-150.6150.386.900112
484E31.2Very low35.6Very low172 Ų172146.5 Ų146.580%0.80481%0.807SS**  trans-67.9156168.6-59.3167.7112.100109.2
485T35.4Very low35.3Very low128 Ų128144.2 Ų144.279%0.78580%0.802SS**  -179.2144.492.527.50000114.3
486V35.4Very low35.3Very low129 Ų129138.7 Ų138.778%0.78280%0.8SS**  trans69.7107140.6179.40000120.7
487A33.1Very low35.1Very low97 Ų97138.8 Ų138.880%0.80280%0.803SS**  trans53.4153.3134.200000121
488A34.5Very low35.2Very low86 Ų86136.4 Ų136.471%0.71181%0.805SS**  cis-153.7158.51400000112.9
489S36.6Very low35.1Very low109 Ų109133.4 Ų133.476%0.76280%0.802SS**  trans36.9116144.5-50.90000120.9
490T38.1Very low35.2Very low127 Ų127130.3 Ų130.378%0.77980%0.8SS**  166.2129.693.9-58.50000112.2
491T34Very low35.2Very low117 Ų117129.4 Ų129.472%0.71880%0.801SS**  trans-21140.1152.9-34.60000113.9
492T36.3Very low35.4Very low115 Ų115126.3 Ų126.371%0.70680%0.798SS**  -179.311972-49.40000111.5
493R33.6Very low35.4Very low228 Ų228124.6 Ų124.686%0.8680%0.798SS**  35.8139.2125.3-140.5-167.2-178.7-1730.3122.1
494V35.7Very low35.7Very low131 Ų131120.2 Ų120.279%0.79479%0.787SS**  trans98.8122.9150.5-169.40000119.1
495G33.3Very low36.2Very low70 Ų70120.6 Ų120.672%0.72279%0.786SS**  trans83.5150.7150.200000116.6
496S36.9Very low36.3Very low118 Ų118122.8 Ų122.883%0.82579%0.787SS**  cis-161.8156.6-11.253.70000109.4
497S32Very low36.2Very low117 Ų117123.7 Ų123.782%0.81879%0.787SS**  trans-88.6138.5175.653.60000111.8
498T39.1Very low36.3Very low145 Ų145129.1 Ų129.189%0.8979%0.787SS**  trans-133140.6161.245.30000111.6
499S34.4Very low36.5Very low120 Ų120133.7 Ų133.784%0.83979%0.793SS**  trans-128.5131.1176.759.10000109.4
500A37.3Very low36.7Very low102 Ų102137 Ų13784%0.84380%0.796SS**  trans-174.8160.116200000108.4
501A34.8Very low36.9Very low92 Ų92135.9 Ų135.976%0.7679%0.791SS**  cis171.8165.1-27.300000106.3
502A40.3Very low37.1Very low103 Ų103135.1 Ų135.185%0.85180%0.796SS**  trans79.1131.7160.900000120.7
503S33.8Very low37.3Very low113 Ų113133.8 Ų133.879%0.7980%0.797SS**  trans-91.1-153.7170.4-40.80000109.8
504P44.4Very low37.8Very low105 Ų105129.5 Ų129.568%0.68280%0.796SS**  cis-143.4-166.2-9.430.9-5000116
505K40.5Very low38.2Very low180 Ų180128.9 Ų128.978%0.78380%0.795SS**  trans87.8114.6157.1-60.9175-176.9177.80118.4
506Q37.5Very low38.1Very low175 Ų175131.2 Ų131.282%0.81880%0.799SS**  72.2135.4103.2-56.3-138.9400114.2
507L34.9Very low38.6Very low147 Ų147130.6 Ų130.677%0.7779%0.792SS**  cis-140.214138.8-91.383.9000110.9
508R34.3Very low39.1Very low212 Ų212135.1 Ų135.180%0.879%0.793SS**  66.2105.584.7-166.5-176.8-166.2165.74.5116.3
509H39.7Very low39.3Very low182 Ų182133.4 Ų133.484%0.84378%0.782SS**  -163.6158.1123.1-93.8-66.7000111.2
510Q39.2Very low39.6Very low178 Ų178133.1 Ų133.183%0.83278%0.78SS**  trans-156.3-178-163-118.4-15890.900107.2
511P44Very low39.6Very low104 Ų104133.5 Ų133.568%0.67578%0.777SS**  cis-145.5-153.1-27.941.1-19.9000115.1
512A37.7Very low39.7Very low100 Ų100139.4 Ų139.483%0.82679%0.786SS**  trans90.9142.6160.300000117.2
513A39.9Very low39.4Very low87 Ų87138.6 Ų138.672%0.71978%0.779SS**  cis-152.7139.6100000109.3
514V44.8Very low39.4Very low139 Ų139142.4 Ų142.484%0.84278%0.781SS**  59.9137.288.7179.60000114.4
515P42.4Very low39.1Very low117 Ų117141.8 Ų141.876%0.7678%0.776SS**  cis-133.8-178.514.829.5-4.9000118.9
516C31.9Very low38.8Very low120 Ų120143.2 Ų143.281%0.81178%0.777SS**  trans-84.3-163167-41.50000111.8
517P48.6Very low38.6Very low105 Ų105141.7 Ų141.768%0.68278%0.775SS**  cis-150.7-155.632.943.7-18.7000117.7
518Y42.2Very low38.5Very low212 Ų212138.5 Ų138.583%0.83177%0.77SS**  trans95.9127.6176.3-76-90.7000117.7
519T42.3Very low38.6Very low108 Ų108134 Ų13466%0.66377%0.77SS**  cis167.7121-4540.20000108.3
520S41Very low38.4Very low114 Ų114130.6 Ų130.680%0.79777%0.768SS**  trans161100.4140.850.90000108.9
521S37.5Very low38.2Very low111 Ų111128.5 Ų128.578%0.77677%0.767SS**  68.3100.181.8-67.30000114.5
522F37.4Very low37.7Very low216 Ų216133.2 Ų133.295%0.94778%0.777SS**  -162.5149.4108.3-111.3-77.7000110.6
523A34Very low37.9Very low85 Ų85133.4 Ų133.470%0.70277%0.767SS**  trans-140.8145.3-168.900000113
524F34.2Very low37.8Very low193 Ų193134.7 Ų134.785%0.84677%0.768SS**  trans-161.3112.3152.8-143.1-98.8000107.3
525V37.2Very low37.9Very low93 Ų93133.8 Ų133.856%0.56477%0.765SS**  93.9103.556.4164.30000112.8
526Y33.4Very low37.5Very low209 Ų209138 Ų13882%0.8277%0.772SS**  trans67.3130.2144.2-80.5-106.7000124.3
527N33.6Very low37.8Very low144 Ų144138.4 Ų138.477%0.7777%0.77SS**  121.993.4122.1-126.524000113.7
528A33.6Very low37.4Very low79 Ų79139.6 Ų139.665%0.65378%0.775SS**  76.1127.767.700000116.4
529S35.5Very low36.9Very low117 Ų117132.3 Ų132.382%0.81877%0.765SS**  trans82.7101.8150.5-560000122.5
530S36.9Very low36.6Very low112 Ų112133.9 Ų133.978%0.78377%0.769SS**  157.6113.5125.953.70000108.9
531V34.7Very low36.4Very low134 Ų134137 Ų13781%0.81277%0.77SS**  60.499.165.9-173.70000113.3
532F32.6Very low36Very low202 Ų202141.4 Ų141.489%0.88677%0.772SS**  trans-144.4143.6148.1-158.5-100.3000110.8
533V41.3Very low36.3Very low104 Ų104136.6 Ų136.663%0.6376%0.762SS**  trans-120.6139.7-169.3174.40000109.3
534P39.6Very low36.1Very low114 Ų114138 Ų13874%0.7476%0.761SS**PPolyproline II helixtrans-89.1137.8175.434.2-32.4000112.2
535P46.9Very low36.4Very low120 Ų120135.2 Ų135.278%0.77976%0.76SS**PPolyproline II helixtrans-88.9143.3170.333.4-31.5000112.5
536K32.7Very low36.2Very low206 Ų206141.5 Ų141.590%0.89678%0.775SS**PPolyproline II helixtrans-97.5143.7162.6-80.6178.7174.2176.10109.8
537V39.5Very low36.4Very low128 Ų128135.3 Ų135.378%0.77678%0.775SS**  trans-139112.6160.1-1670000103.8
538V38.7Very low36.5Very low131 Ų131134 Ų13479%0.79478%0.778SS**  46.5127.392.3-170.40000110.7
539G33.1Very low37.1Very low59 Ų59136.3 Ų136.361%0.60879%0.786SS**  cis142.5148.914.900000107.5
540D35.6Very low37.2Very low140 Ų140134.8 Ų134.875%0.74979%0.788SS**  trans99119.2157.1-53.5-16.1000122.4
541H35.6Very low37.3Very low179 Ų179133.4 Ų133.483%0.82979%0.791SS**  trans79.1124.5138-64.7-46.6000126.3
542Y30.8Very low37.6Very low205 Ų205135.4 Ų135.480%0.80479%0.792SS**  trans-58.4171.3159.6-97.9-100.4000113.1
543P43Very low37.7Very low115 Ų115133.9 Ų133.975%0.74779%0.79SS**  -151.8175.552.641.1-18.2000120.7
544V29.7Very low37.5Very low113 Ų113136.2 Ų136.269%0.68580%0.798SS**  trans-84.6145.5167.5169.60000109.9
545V39.5Very low37.4Very low136 Ų136135.6 Ų135.682%0.82479%0.794SS**  trans-125.7135.6171.6178.40000110.6
546Y33.4Very low36.9Very low225 Ų225134.8 Ų134.888%0.88279%0.791SS**  trans-91.6154.7177.3-105.1-100.6000111.8
547G38.6Very low37.3Very low79 Ų79133.8 Ų133.881%0.81479%0.79SS**  trans-162.6104.9171.200000113.5
548S36.2Very low36.9Very low117 Ų117135.3 Ų135.382%0.81879%0.792SS**  trans-122.4175.6164.1-128.90000106.2
549P45.9Very low36.9Very low127 Ų127134.4 Ų134.483%0.82579%0.788SS**  cis-144.7-171.722.442.9-22.9000116.2
550G38Very low37.2Very low84 Ų84140 Ų14087%0.86680%0.799SS**  trans126.312214400000117.6
551G39Very low37.2Very low83 Ų83139.8 Ų139.886%0.85679%0.793SS**  trans142.9104.7170.400000113
552Q39.3Very low37.1Very low176 Ų176137.7 Ų137.782%0.82279%0.788SS**  trans-97.8146.7-173.1-54.7179.72800112.5
553M35.5Very low37.3Very low171 Ų171133.1 Ų133.184%0.84279%0.786SS**  -171.5134.3127.8-95.2-72.396.200109.7
554L36.5Very low36.8Very low152 Ų152138.9 Ų138.980%0.79679%0.793SS**  trans-120-178.4-176.3-106.288.5000108.5
555P38.7Very low37.1Very low102 Ų102145.1 Ų145.166%0.66280%0.804SS**  cis-139.4172.5-47.539-23.3000113.1
556S36.8Very low37Very low103 Ų103145 Ų14572%0.7280%0.803SS**  -179.2135122.6-93.10000116.9
557Q39.8Very low37.2Very low185 Ų185139 Ų13986%0.86479%0.792SS**  trans74.5125.6150.4-62.4-179.520.100119.7
558I32.5Very low37Very low160 Ų160144.4 Ų144.482%0.82180%0.796SS**  trans-131.6-173.6-167.2-34.1171.4000107.1
559P38.2Very low37Very low111 Ų111146.5 Ų146.572%0.72180%0.797SS**  -107.6179.3-99.139.8-24.8000114.9
560Q38.7Very low36.8Very low178 Ų178145.5 Ų145.583%0.83279%0.791SS**  trans-179.7163.5138.1-84.5-123.310.100109.5
561H35.4Very low36.4Very low135 Ų135147.4 Ų147.463%0.62579%0.791SS**  cis-171.1119-34.1171.6-135.9000109.5
562N33.3Very low36.4Very low134 Ų134149 Ų14972%0.71778%0.784SS**  trans62.2155.6175.1-62.8-16.1000117
563S35.2Very low36.2Very low109 Ų109148.6 Ų148.676%0.76279%0.787SS**  cis-143.7163.47.5-149.50000113.8
564R33Very low36.3Very low237 Ų237150.1 Ų150.189%0.89479%0.785SS**  trans-40.3124.7-169.4-65.3173.3172.9-169.3-3.1117.6
565R35.5Very low36.6Very low244 Ų244152.2 Ų152.292%0.92179%0.793SS**PPolyproline II helixtrans-87.7133.2145.6-72.3-171.9-173.1-153.20.9109.9
566V37.3Very low36.5Very low132 Ų132153.8 Ų153.880%0.880%0.796SS**PPolyproline II helixtrans-78.7129.5167.1178.20000108.9
567P37.9Very low36.5Very low101 Ų101154.9 Ų154.966%0.65680%0.799SS**PPolyproline II helixtrans-70.2132.6173.7-17.932000111.7L569P567-L569 PolarHBondContact O-N 3.06Å
568Q34.4Very low36.2Very low191 Ų191149.8 Ų149.889%0.89380%0.795SS**PPolyproline II helixtrans-63.2132.7168.9-71.4173.8-44.300110.3
569L37.2Very low36.2Very low161 Ų161149 Ų14984%0.84380%0.798SS**PPolyproline II helixtrans-85.2128.8168.1-79.9165.7000109.4P567P567-L569 PolarHBondContact O-N 3.06Å
570P40Very low36.1Very low106 Ų106155.5 Ų155.569%0.68881%0.808SS**PPolyproline II helixtrans-80.6142.1171.832.2-32.5000111.1T572P570-T572 PolarHBondContact O-N 3.15Å
571S31.3Very low35.9Very low125 Ų125156 Ų15687%0.87481%0.81SS**PPolyproline II helixtrans-69.9119.7174.7-43.80000111.3
572T38.3Very low35.6Very low115 Ų115155.1 Ų155.171%0.70682%0.817SS**  trans-146.488.7166.656.60000111.3P570P570-T572 PolarHBondContact O-N 3.15Å
573D35.2Very low35.7Very low168 Ų168155.6 Ų155.690%0.89882%0.824SS**  trans-79.5123.7153.9-73.7-50.6000108.6
574Y38Very low35.8Very low204 Ų204154.8 Ų154.880%0.882%0.824SS**  trans-150.893.8175-125-82.3000109.3
575M41.7Very low35.8Very low195 Ų195151.3 Ų151.396%0.96182%0.822SS**  trans-140.4139.5148.4-85.6-56.5142.700108.8
576N36.4Very low35.9Very low135 Ų135147.6 Ų147.672%0.72281%0.808SS**  trans-100.5158.4-166.6-1687.6000111.2
577T36.8Very low35.7Very low127 Ų127150.3 Ų150.378%0.77981%0.812SS**  trans68.4126.2168.771.50000117.4
578G33.7Very low35.5Very low77 Ų77149.5 Ų149.579%0.79481%0.813SS**  trans151.352.7170.600000117.6R580G578-R580 PolarHBondContact O-N 3.01Å
579V33.4Very low35.6Very low144 Ų144146.9 Ų146.987%0.87381%0.805SS**  trans1.2107.3159.3-1750000117.4
580R35.3Very low35.4Very low248 Ų248146.5 Ų146.594%0.93680%0.799SS**  trans-168.4149.8132.2-112.2176.9179.3-149.5-2.9114.4G578G578-R580 PolarHBondContact O-N 3.01Å
581Q33.8Very low35.2Very low188 Ų188147.4 Ų147.488%0.87980%0.803SS**  trans-85.5168.7-177.7-95.2-179.1-11.600113.4
582P30Very low35.5Very low117 Ų117147.5 Ų147.576%0.7680%0.799SS**  trans-100.1161.9-157.239.2-36.2000114.8
583V35.7Very low35.2Very low143 Ų143146.7 Ų146.787%0.86780%0.798SS**  trans-142133.1154.71790000108.9
584A36.1Very low35Very low93 Ų93149 Ų14977%0.76980%0.795SS**  trans-86.8151.5175.900000112.1
585I34.2Very low34.7Very low163 Ų163148 Ų14884%0.83680%0.797SS**  trans-112.1121.6165.8-66.7175.7000108.1
586R37Very low34.4Very low167 Ų167143.8 Ų143.863%0.6379%0.787SS**  trans-90.2143.2162.4-85.7180161.2-174.2-8.9109.4
587Q32.7Very low34.2Very low189 Ų189143.3 Ų143.388%0.88379%0.791SS**  trans-102.3140.6165.2-70.7176.8-25.700110
588A34.8Very low34.1Very low83 Ų83143.3 Ų143.369%0.68679%0.794SS**  trans-166.7115.7150.100000104.8
589N35.5Very low34.1Very low137 Ų137144.8 Ų144.873%0.73379%0.792SS**  70130.5100.2-66.831000111.6
590E34.2Very low34Very low153 Ų153147.9 Ų147.972%0.71579%0.789SS**  cis-162.3-179.415.6-117.8154-130.300111.1
591T36.2Very low33.9Very low124 Ų124141.9 Ų141.976%0.76178%0.776SS**  trans84.3119.2163.873.70000121.6
592T36Very low34Very low128 Ų128140.9 Ų140.979%0.78578%0.775SS**  trans67.3112.2144.332.90000123.8
593S32.3Very low34.1Very low98 Ų98139 Ų13969%0.68577%0.77SS**  trans58.3115.2136.766.40000122.8
594Y30.7Very low34Very low215 Ų215140.7 Ų140.784%0.84377%0.773SS**  trans3797.9138.2-68.9-85.4000120.2
595H33.5Very low33.8Very low183 Ų183144.1 Ų144.185%0.84777%0.773SS**  176.8161.7107.8-101.7-75.6000113
596S33.7Very low33.9Very low107 Ų107147.5 Ų147.575%0.74878%0.777SS**PPolyproline II helixtrans-59.6148.8-168.8-52.70000116.8
597P32.2Very low33.9Very low125 Ų125144.3 Ų144.381%0.81278%0.78SS**PPolyproline II helixtrans-91.7146-179.635.9-34.6000114.1
598P35.1Very low34Very low128 Ų128141 Ų14183%0.83179%0.786SS**PPolyproline II helixtrans-97.3160162.236.3-30.9000112.8
599S34.7Very low34Very low107 Ų107141 Ų14175%0.74879%0.786SS**PPolyproline II helixtrans-87.5166.9-166.757.90000116.9
600Y30.9Very low34.1Very low209 Ų209141.4 Ų141.482%0.8279%0.793SS**  trans100.1120.7138.6-125.1-110.2000120.3
601N33.1Very low33.9Very low122 Ų122143.4 Ų143.465%0.65280%0.799SS**  trans25.1113.6148.5-70.9-71.6000121.2
602L35.5Very low33.8Very low167 Ų167145 Ų14587%0.87480%0.803SS**  trans-163.1146.9131-12479.3000106.1
603A33.1Very low33.6Very low78 Ų78147.5 Ų147.565%0.64581%0.806SS**  cis-148.2148.46.900000111.9
604L32.9Very low33.6Very low178 Ų178154.8 Ų154.893%0.93282%0.819SS**  trans-83.9105.8157.1-85.6159.6000108.4
605Q32.7Very low33.8Very low166 Ų166150.8 Ų150.878%0.77682%0.817SS**  trans-169.7149.9160.9-109.5162.6-2.600108.3
606Y35.6Very low33.9Very low233 Ų233150.8 Ų150.891%0.91482%0.821SS**SBendtrans66128-161.2-45.7-77.4000113.2
607S36.5Very low33.9Very low100 Ų100149.4 Ų149.470%0.69982%0.824SS**  cis-145.9110.8-2.644.40000110.9A609S607-A609 VanDerWaalsContact C-N 3.33Å; S607-A609 PolarHBondContact O-N 3.01Å
608A34.2Very low33.7Very low120 Ų120147.1 Ų147.199%0.99282%0.823SS**  trans-8774.5166.400000109.1
609A36.4Very low33.8Very low84 Ų84147.5 Ų147.569%0.69482%0.822SS**  trans-157.324.5-17400000115.9S607S607-A609 VanDerWaalsContact C-N 3.33Å; S607-A609 PolarHBondContact O-N 3.01Å
610V35.9Very low33.5Very low144 Ų144149.8 Ų149.887%0.87383%0.826SS**  trans-140.677.2167.9-170.40000109.6
611K31.3Very low33.7Very low196 Ų196148.1 Ų148.185%0.85283%0.83SS**  trans-158.171.8172.7-157.4178.2-171.7-174.50109.3
612D33.6Very low33.7Very low158 Ų158148.3 Ų148.385%0.84584%0.836SS**SBendtrans172.292.3159-87.8-16.3000109.4
613Q31.4Very low33.4Very low180 Ų180146 Ų14684%0.84183%0.834SS**  trans176.5161.3158.1-99.7159.437.800107.8
614W32.5Very low33.3Very low251 Ų251147 Ų14795%0.95184%0.842SS**  trans76.255-166.7-48.6102000115.6
615T34.4Very low33.3Very low131 Ų131142.8 Ų142.880%0.80483%0.833SS**  trans-106.2147.9138.145.90000108.7
616I36.1Very low33.5Very low183 Ų183140.6 Ų140.694%0.93883%0.831SS**  trans131131173-73.8157.9000109.7
617G33.4Very low33.4Very low78 Ų78137 Ų13780%0.80483%0.828SS**  trans112.253.3166.500000116.5
618G28.2Very low33.3Very low77 Ų77137 Ų13779%0.79483%0.834SS**  trans-91.1133.6160.200000110.7
619V36.9Very low33.2Very low135 Ų135136.8 Ų136.882%0.81883%0.825SS**  trans-143.3117.4161.1-174.30000108
620D29.5Very low33.3Very low156 Ų156138.1 Ų138.183%0.83483%0.83SS**  trans-75.2135.2168.4-72.3-56.7000110.3
621L34.1Very low33.4Very low173 Ų173138.1 Ų138.191%0.90683%0.825SS**  trans-143112.1153.2-81.3-176000111.2
622T32.4Very low33.6Very low126 Ų126136.8 Ų136.877%0.77383%0.825SS**  trans-92.9156.9168490000111.6
623S29.4Very low33.7Very low120 Ų120134.9 Ų134.984%0.83982%0.822SS**  trans86.2163.2163.284.90000118.7
624A32.8Very low33.7Very low97 Ų97134.8 Ų134.880%0.80283%0.826SS**  trans66.1106.5-169.300000114.7
625A32.3Very low33.8Very low91 Ų91130.5 Ų130.575%0.75282%0.816SS**  cis9713336.300000114.9
626T36Very low33.7Very low120 Ų120130.4 Ų130.474%0.73682%0.815SS**  trans68.4111.3155.8510000122.8
627N33.1Very low33.9Very low156 Ų156126.4 Ų126.483%0.83480%0.804SS**  85.8157123.1-63.1-9.8000123
628A35.1Very low33.8Very low100 Ų100129.2 Ų129.283%0.82681%0.805SS**  trans69.6104-177.700000115.2
629S33.1Very low34.3Very low116 Ų116129.2 Ų129.281%0.81181%0.805SS**  cis80.6102.340.1-162.90000115.4
630S38.6Very low34.3Very low113 Ų113134.6 Ų134.679%0.7981%0.811SS**  trans-164.5104.1148.243.50000113.1
631N37.1Very low34.6Very low144 Ų144137.6 Ų137.677%0.7781%0.81SS**  trans15.6134.2145.9-53.5-37000121.4
632I36.5Very low34.7Very low167 Ų167135.7 Ų135.786%0.85681%0.808SS**  -174144.5101.9-90.1155.3000109.5
633P35Very low34.8Very low119 Ų119134.7 Ų134.777%0.77381%0.807SS**  trans-110160.9-157.139.3-31.4000116.3
634L32.1Very low35.1Very low177 Ų177133.3 Ų133.393%0.92780%0.802SS**  trans-109.4129.5165.2-77.3171.2000110.9
635H34.6Very low35.3Very low161 Ų161135.4 Ų135.475%0.74581%0.805SS**  trans-98.3128.5177.4176.3-96.3000111S637H635-S637 PolarHBondContact CE1-OG 2.96Å
636T32.2Very low35.5Very low129 Ų129135.1 Ų135.179%0.79180%0.802SS**  trans-132.2114.3168.356.70000109.5
637S38.7Very low35.8Very low99 Ų99134.8 Ų134.869%0.69280%0.802SS**  trans-102.4135.7174.2500000111.3H635H635-S637 PolarHBondContact CE1-OG 2.96Å
638V33Very low35.9Very low138 Ų138133.6 Ų133.684%0.83680%0.801SS**  trans-104.2138.2179.4173.10000109.1
639G38Very low36.1Very low77 Ų77134.5 Ų134.579%0.79480%0.801SS**  trans-129.2135.2172.700000111.8
640R37.3Very low36.2Very low247 Ų247137.3 Ų137.393%0.93280%0.801SS**  trans-98.2156.1-174.4-79-176.2172.7-164.60.9113.8
641R34.4Very low36.1Very low220 Ų220137.9 Ų137.983%0.8380%0.799SS**  trans-44.3165.6156-113.4-179.2-176.6-132.8-0.4114.1
642P37.5Very low36Very low132 Ų132142.7 Ų142.786%0.85781%0.807SS**  -148.4-147.463.241.6-19.1000117
643S34.4Very low35.8Very low106 Ų106146 Ų14674%0.74181%0.808SS**  trans-128.8144-144.9179.10000114.6
644A35.7Very low36.2Very low90 Ų90145.3 Ų145.374%0.74480%0.804SS**  trans-172.5166.1161.300000109.1
645V37Very low36.2Very low141 Ų141141.6 Ų141.686%0.85580%0.799SS**  cis-159.2164.1-28.31380000106.5
646A35.9Very low36.1Very low85 Ų85139.7 Ų139.770%0.70280%0.804SS**  trans-128.3166171.400000110.1
647P42.3Very low36.3Very low113 Ų113137.6 Ų137.673%0.73481%0.808SS**  -160.6166.577.944.1-23000119.9
648T36.3Very low36Very low132 Ų132138.9 Ų138.981%0.8182%0.817SS**  trans28.6136.6144.160.50000125.1
649S38.4Very low36.1Very low118 Ų118136 Ų13683%0.82582%0.815SS**  -158.2160.3124.966.60000113.9
650H36.3Very low36.3Very low175 Ų175137.9 Ų137.981%0.8181%0.813SS**  trans-68.6169.6-168.5-55.8-93.2000115.1
651V34.9Very low36.1Very low126 Ų126134.8 Ų134.876%0.76481%0.809SS**  -177.1141.374.5158.90000113.5
652R35.4Very low35.9Very low245 Ų245131.5 Ų131.593%0.92580%0.804SS**  trans56.1138.7156-78.4174178.6167.30.1125.7
653R32.8Very low35.7Very low235 Ų235130.6 Ų130.689%0.88780%0.795SS**  trans-113.1-167.8159.1-135-175.1179.7-166.92106.2
654P43Very low35.5Very low105 Ų105130.9 Ų130.968%0.68280%0.796SS**  cis-138.6-168.6-17.541.5-22.7000115
655A32.5Very low35.2Very low99 Ų99131.2 Ų131.282%0.81879%0.793SS**  trans70.315815600000116.8
656S32Very low34.8Very low122 Ų122130.6 Ų130.685%0.85380%0.795SS**  cis-157.2160.6447.10000109.5
657G36.3Very low34.7Very low85 Ų85130.8 Ų130.888%0.87680%0.796SS**  trans166.491.4167.500000115.8
658S33.2Very low34.1Very low125 Ų125135.2 Ų135.287%0.87480%0.804SS**  trans-91148.6173.751.50000112.6
659G33.8Very low34Very low78 Ų78134.4 Ų134.480%0.80480%0.801SS**  trans-174100166.200000114.7
660P42.1Very low33.6Very low116 Ų116133.4 Ų133.475%0.75380%0.8SS**  trans-108142.3167.536.6-27.7000112.1
661Q33.7Very low33.5Very low182 Ų182130.9 Ų130.985%0.8580%0.796SS**  trans164.8154.3163.1-96.9170.82000107.1
662Q31.6Very low33.3Very low152 Ų152133.2 Ų133.271%0.7180%0.799SS**  cis-174.7179.2-13.6-174.2175.6-2.700107.4
663V32Very low33.4Very low113 Ų113128.9 Ų128.969%0.68579%0.793SS**  trans81.998.2161.5-167.80000114.1
664C29.8Very low33.5Very low112 Ų112122.9 Ų122.976%0.75778%0.783SS**  67.2146.590.8-59.10000114.1
665S29.7Very low33.1Very low97 Ų97125.7 Ų125.768%0.67879%0.791SS**  cis-172.8151.2-12.8-91.20000108
666S29.7Very low33.2Very low128 Ų128127.7 Ų127.790%0.89579%0.787SS**  trans64159.1172.482.90000115.6
667A33Very low33.5Very low89 Ų89130.6 Ų130.674%0.73679%0.788SS**  cis-144.7162.1-4.400000109.6
668K29Very low33.6Very low206 Ų206135 Ų13590%0.89679%0.786SS**  trans-70.4151.9168-68.5178.8175.5-178.30110.6
669P35Very low33.8Very low114 Ų114137.4 Ų137.474%0.7478%0.783SS**  -115.6135.5129.633.2-29000110.5
670A29Very low34.1Very low97 Ų97138.5 Ų138.580%0.80278%0.778SS**  trans-82.1139.7162.600000108.4
671V35.4Very low34.3Very low122 Ų122139.4 Ų139.474%0.73978%0.775SS**  trans-125.698.1167.71790000106.9L673V671-L673 HydrophobicContact CG1-CG 4.31Å
672E29.8Very low35Very low176 Ų176134.6 Ų134.682%0.82276%0.758SS**  trans-91.1108.5173.2-174.7165.7-16900107.1T674E672-T674 PolarHBondContact O-N 3.38Å
673L37.3Very low36.1Very low153 Ų153134.6 Ų134.680%0.80176%0.758SS**  trans-86.5100.4177.2-84162.8000109.2V671 I675V671-L673 HydrophobicContact CG1-CG 4.31Å; L673-I675 PolarHBondContact O-N 2.99Å
674T34.7Very low37.3Very low109 Ų109132.7 Ų132.767%0.66975%0.748SS**  trans-68.1121.5171.2460000110.5E672 D676E672-T674 PolarHBondContact O-N 3.38Å; T674-D676 PolarHBondContact O-N 2.97Å
675I36.2Very low38.5Very low165 Ų165133.6 Ų133.685%0.84674%0.741SS**  trans-92.481.2173.5-55.5174.2000107.7L673L673-I675 PolarHBondContact O-N 2.99Å
676D33.4Very low40Very low140 Ų140133.5 Ų133.575%0.74973%0.732SS**  trans-13653.9177-76.9-47.3000110.5T674T674-D676 PolarHBondContact O-N 2.97Å
677E39.1Very low41.8Very low183 Ų183130.1 Ų130.186%0.85571%0.712SS**  trans-137.857.4176.7-71.5-163.313700112.8
678Q39.1Very low43.6Very low179 Ų179132.2 Ų132.284%0.83671%0.707SS**SBendtrans-142.6-2.6162.5-79.4-148.4-1700116.9
679E37.3Very low45.6Very low175 Ų175127.7 Ų127.782%0.81869%0.692SS**G310 helixtrans-85.9-9.6-178.5-68.9-168.9139.900115I681 V682E679-I681 PolarHBondContact O-N 2.86Å; E679-I681 VanDerWaalsContact O-N 3.14Å; E679-V682 PolarHBondContact O-N 3.25Å
680S40.3Very low47.4Very low101 Ų101128.1 Ų128.171%0.70668%0.684SS**G310 helixtrans-74.90.6-174.5580000116.3
681I46.2Very low49.6Very low135 Ų135126.4 Ų126.469%0.69267%0.669SS**G310 helixtrans-101.1-14.4-178.7-60.7176.9000112E679E679-I681 PolarHBondContact O-N 2.86Å; E679-I681 VanDerWaalsContact O-N 3.14Å
682V48.4Very low51.6Low80 Ų80124.8 Ų124.849%0.48566%0.66SS.*THydrogen-bonded Turntrans-96.7-24.6-168.5-170.60000113.8E679 P684 E685 I686E679-V682 PolarHBondContact O-N 3.25Å; V682-P684 VanDerWaalsContact C-CD 3.47Å; V682-E685 PolarHBondContact O-N 3.46Å; V682-I686 HydrophobicContact CG1-CD1 4.18Å
683E54.5Low53.8Low153 Ų153121 Ų12172%0.71564%0.644SS**Hα-helixtrans-57.3-39.9178.7-69.4-167.9130.600116.1E685 I686 A687E683-E685 PolarHBondContact O-N 2.75Å; E683-I686 PolarHBondContact O-N 3.01Å; E683-A687 PolarHBondContact O-N 2.83Å
684P56.6Low55.7Low73 Ų73118.3 Ų118.347%0.47463%0.631SS.*Hα-helixtrans-71.4-26.3-177.227.7-34.6000113.8V682 Q688V682-P684 VanDerWaalsContact C-CD 3.47Å; P684-Q688 WeakPolarHBondContact O-CG 3.35Å; P684-Q688 PolarHBondContact O-N 3.34Å
685E55.6Low57.5Low131 Ų131116.2 Ų116.261%0.61262%0.621SS**Hα-helixtrans-75-34.8177.3-67.1-165.3148.800112V682 E683 Q688 L689V682-E685 PolarHBondContact O-N 3.46Å; E683-E685 PolarHBondContact O-N 2.75Å; E685-Q688 PolarHBondContact O-N 3.48Å; E685-L689 WeakPolarHBondContact O-CG 3.49Å; E685-L689 PolarHBondContact O-N 2.91Å
686I60.7Low58.8Low94 Ų94114.2 Ų114.248%0.48261%0.611SS.*Hα-helixtrans-65.3-44175.9-63172.5000110.2V682 E683 Q688 L689 E690V682-I686 HydrophobicContact CG1-CD1 4.18Å; E683-I686 PolarHBondContact O-N 3.01Å; I686-Q688 VanDerWaalsContact C-N 3.32Å; I686-Q688 PolarHBondContact O-N 3.01Å; I686-L689 PolarHBondContact O-N 3.41Å; I686-E690 PolarHBondContact O-N 3.43Å
687A67.5Low60.4Low58 Ų58111.9 Ų111.948%0.47960%0.597SS.*Hα-helixtrans-63.1-35.517600000113E683 A691E683-A687 PolarHBondContact O-N 2.83Å; A687-A691 WeakPolarHBondContact O-CB 3.27Å; A687-A691 PolarHBondContact O-N 3.08Å
688Q71Confident61.4Low133 Ų133110 Ų11062%0.62159%0.59SS**Hα-helixtrans-69.1-39173.9-73179.327.500112.1P684 E685 I686 A691 V692P684-Q688 WeakPolarHBondContact O-CG 3.35Å; P684-Q688 PolarHBondContact O-N 3.34Å; E685-Q688 PolarHBondContact O-N 3.48Å; I686-Q688 VanDerWaalsContact C-N 3.32Å; I686-Q688 PolarHBondContact O-N 3.01Å; Q688-A691 PolarHBondContact O-N 3.22Å; Q688-V692 WeakPolarHBondContact O-CG2 3.46Å; Q688-V692 PolarHBondContact O-N 2.63Å
689L71.4Confident62.3Low111 Ų111106.7 Ų106.758%0.58158%0.582SS**Hα-helixtrans-65.1-41.1174.9-76.4166000112.3E685 I686 V692 I693E685-L689 WeakPolarHBondContact O-CG 3.49Å; E685-L689 PolarHBondContact O-N 2.91Å; I686-L689 PolarHBondContact O-N 3.41Å; L689-V692 PolarHBondContact O-N 3.39Å; L689-I693 VanDerWaalsContact O-CG1 3.3Å; L689-I693 WeakPolarHBondContact O-CG1 3.32Å; L689-I693 PolarHBondContact O-N 2.68Å
690E71.7Confident63.1Low122 Ų122102.8 Ų102.857%0.5757%0.574SS**Hα-helixtrans-64.2-38.8173.8-71.5-170.1153.300112.3I686 I693 N694I686-E690 PolarHBondContact O-N 3.43Å; E690-I693 PolarHBondContact O-N 3.08Å; E690-N694 WeakPolarHBondContact O-CB 3.27Å; E690-N694 VanDerWaalsContact O-CG 3.32Å; E690-N694 PolarHBondContact O-N 3.18Å; E690-N694 PolarHBondContact O-ND2 3.33Å
691A75Confident63.6Low61 Ų61102.4 Ų102.450%0.50457%0.572SS.*Hα-helixtrans-63.9-41.817400000112.4A687 Q688 N694 S695A687-A691 WeakPolarHBondContact O-CB 3.27Å; A687-A691 PolarHBondContact O-N 3.08Å; Q688-A691 PolarHBondContact O-N 3.22Å; A691-N694 PolarHBondContact O-N 2.91Å; A691-S695 WeakPolarHBondContact O-CB 3.2Å; A691-S695 PolarHBondContact O-N 2.84Å; A691-S695 PolarHBondContact O-OG 3.06Å
692V78.3Confident63.7Low88 Ų88101.4 Ų101.453%0.53357%0.571SS.*Hα-helixtrans-63.8-45.9175.4170.50000110.9Q688 L689 N694 S695 L696Q688-V692 WeakPolarHBondContact O-CG2 3.46Å; Q688-V692 PolarHBondContact O-N 2.63Å; L689-V692 PolarHBondContact O-N 3.39Å; V692-N694 PolarHBondContact O-N 3.37Å; V692-S695 PolarHBondContact O-N 2.86Å; V692-S695 PolarHBondContact O-OG 2.94Å; V692-L696 PolarHBondContact O-N 3.39Å
693I76.4Confident63.2Low97 Ų97105.1 Ų105.150%0.49759%0.589SS.*Hα-helixtrans-60.4-46.1177.3-70.1165.4000111.2L689 E690 S695 L696 I697L689-I693 VanDerWaalsContact O-CG1 3.3Å; L689-I693 WeakPolarHBondContact O-CG1 3.32Å; L689-I693 PolarHBondContact O-N 2.68Å; E690-I693 PolarHBondContact O-N 3.08Å; I693-S695 PolarHBondContact O-N 3.28Å; I693-L696 PolarHBondContact O-N 2.83Å; I693-I697 HydrophobicContact CG2-CD1 3.79Å; I693-I697 WeakPolarHBondContact O-CG1 3.45Å; I693-I697 PolarHBondContact O-N 3.14Å
694N75.5Confident62.3Low97 Ų97102.3 Ų102.352%0.51959%0.592SS.*Hα-helixtrans-65.7-36.4178.6-73.5-38.5000112.5E690 A691 V692 M698E690-N694 WeakPolarHBondContact O-CB 3.27Å; E690-N694 VanDerWaalsContact O-CG 3.32Å; E690-N694 PolarHBondContact O-N 3.18Å; E690-N694 PolarHBondContact O-ND2 3.33Å; A691-N694 PolarHBondContact O-N 2.91Å; V692-N694 PolarHBondContact O-N 3.37Å; N694-M698 VanDerWaalsContact O-CG 3.27Å; N694-M698 WeakPolarHBondContact O-CG 3.23Å; N694-M698 PolarHBondContact O-N 3.4Å; N694-M698 VanDerWaalsContact O-N 3.11Å
695S72.5Confident61.4Low65 Ų65106.4 Ų106.446%0.45561%0.61SS.*Hα-helixtrans-65-37.8172.672.30000112.6A691 V692 I693 M698 V699A691-S695 WeakPolarHBondContact O-CB 3.2Å; A691-S695 PolarHBondContact O-N 2.84Å; A691-S695 PolarHBondContact O-OG 3.06Å; V692-S695 PolarHBondContact O-N 2.86Å; V692-S695 PolarHBondContact O-OG 2.94Å; I693-S695 PolarHBondContact O-N 3.28Å; S695-M698 PolarHBondContact O-N 3.23Å; S695-V699 WeakPolarHBondContact O-CG2 3.4Å; S695-V699 PolarHBondContact O-N 3.28Å
696L65Low60.6Low123 Ų123110.4 Ų110.464%0.64463%0.625SS**Hα-helixtrans-70.8-35.4179.6-153.871.9000112.3V692 I693 V699 S700V692-L696 PolarHBondContact O-N 3.39Å; I693-L696 PolarHBondContact O-N 2.83Å; L696-V699 PolarHBondContact O-N 3.42Å; L696-S700 PolarHBondContact O-N 2.95Å; L696-S700 PolarHBondContact O-OG 3.02Å
697I66.7Low59.5Low91 Ų91110.6 Ų110.647%0.46764%0.641SS.*Hα-helixtrans-67-38.2173.6-68.4167.4000111.1I693 S700 S701I693-I697 HydrophobicContact CG2-CD1 3.79Å; I693-I697 WeakPolarHBondContact O-CG1 3.45Å; I693-I697 PolarHBondContact O-N 3.14Å; I697-S700 WeakPolarHBondContact CA-OG 3.48Å; I697-S700 PolarHBondContact O-N 3.16Å; I697-S700 PolarHBondContact O-OG 2.98Å; I697-S700 VanDerWaalsContact O-OG 3.1Å; I697-S701 PolarHBondContact O-OG 3.01Å; I697-S701 VanDerWaalsContact O-OG 3.04Å
698M59.6Low58.1Low143 Ų143113 Ų11370%0.70465%0.651SS**Hα-helixtrans-68.9-37.1176.4-71.2-73.6-78.300112.5N694 S695 S700 V702N694-M698 VanDerWaalsContact O-CG 3.27Å; N694-M698 WeakPolarHBondContact O-CG 3.23Å; N694-M698 PolarHBondContact O-N 3.4Å; N694-M698 VanDerWaalsContact O-N 3.11Å; S695-M698 PolarHBondContact O-N 3.23Å; M698-S700 VanDerWaalsContact C-N 3.35Å; M698-V702 WeakPolarHBondContact O-CG2 3.46Å
699V58.6Low56.4Low109 Ų109115.2 Ų115.266%0.66166%0.662SS**Hα-helixtrans-70.7-29.4176.9171.90000112.5S695 L696 S701S695-V699 WeakPolarHBondContact O-CG2 3.4Å; S695-V699 PolarHBondContact O-N 3.28Å; L696-V699 PolarHBondContact O-N 3.42Å; V699-S701 VanDerWaalsContact C-N 3.33Å; V699-S701 PolarHBondContact O-N 3.38Å
700S53.9Low54.6Low93 Ų93115.2 Ų115.265%0.6567%0.67SS**THydrogen-bonded Turntrans-81.5-4.7179.643.90000114.9L696 I697 M698L696-S700 PolarHBondContact O-N 2.95Å; L696-S700 PolarHBondContact O-OG 3.02Å; I697-S700 WeakPolarHBondContact CA-OG 3.48Å; I697-S700 PolarHBondContact O-N 3.16Å; I697-S700 PolarHBondContact O-OG 2.98Å; I697-S700 VanDerWaalsContact O-OG 3.1Å; M698-S700 VanDerWaalsContact C-N 3.35Å
701S51.6Low53.1Low94 Ų94118 Ų11866%0.65768%0.683SS**THydrogen-bonded Turntrans-102.910.2-176.1-600000115.3I697 V699I697-S701 PolarHBondContact O-OG 3.01Å; I697-S701 VanDerWaalsContact O-OG 3.04Å; V699-S701 VanDerWaalsContact C-N 3.33Å; V699-S701 PolarHBondContact O-N 3.38Å
702V46.6Very low51.2Low113 Ų113120.8 Ų120.869%0.68570%0.696SS**SBendtrans-114.3-3.9-170.5-161.30000114.3M698M698-V702 WeakPolarHBondContact O-CG2 3.46Å
703N38.2Very low49.3Very low159 Ų159122.5 Ų122.585%0.8571%0.712SS**  trans-120.571.3-176.6-74.1-7.3000112.5
704A36.9Very low47.7Very low94 Ų94123.2 Ų123.278%0.77772%0.723SS**  trans-154.646176.600000114.5
705D35.9Very low45.7Very low159 Ų159126.2 Ų126.285%0.8574%0.738SS**  trans-147.5147.8166.7-94.5-45.5000110.5
706F38.9Very low44.1Very low215 Ų215130.9 Ų130.994%0.94376%0.756SS**  trans103.295.7-177.2-68.6-71.4000117.8
707A37.5Very low42.9Very low98 Ų98130.5 Ų130.581%0.8176%0.764SS**  trans-138.4143.6149.100000108.3
708P39.7Very low41.2Very low107 Ų107131.7 Ų131.770%0.69578%0.779SS**  -146.7159.4125.435.2-19.2000115.7
709E35.4Very low40.4Very low181 Ų181130 Ų13085%0.84678%0.778SS**  trans56.9121.5151.8-67.7175.1132.700119.1
710C33.5Very low39.6Very low110 Ų110130.8 Ų130.874%0.74378%0.784SS**  -172.513965.2-117.80000114.8
711Q38.7Very low38.9Very low182 Ų182131.1 Ų131.185%0.8578%0.784SS**  trans48.9136.3148.4-58.3-161.3-9.700124.5
712P36.8Very low38.4Very low119 Ų119132.8 Ų132.877%0.77379%0.786SS**  trans-110.8154.9169.840-31.5000114.9
713S38.4Very low38.2Very low124 Ų124134.8 Ų134.887%0.86779%0.793SS**  trans-174.4162.2150.5-89.30000112.8
714P42.8Very low38.6Very low112 Ų112136.3 Ų136.373%0.72780%0.795SS**  trans-122.7-168.3-14342.6-30.8000117.1
715L32.5Very low38.7Very low160 Ų160140.3 Ų140.384%0.83880%0.798SS**  trans102128.3167.6-57.1174000116.7
716I39.2Very low38.6Very low162 Ų162141.3 Ų141.383%0.83180%0.797SS**  176.4119.8128.3-88.9155.5000112.1
717S38.7Very low38.8Very low116 Ų116139 Ų13981%0.81179%0.793SS**  trans45130.1154.9670000125.3
718C32.2Very low38.7Very low116 Ų116139.3 Ų139.378%0.78479%0.789SS**  trans-95.1166.2150.9-164.90000109.8
719P42.3Very low38.8Very low107 Ų107143.4 Ų143.470%0.69580%0.799SS**  -155-17994.138.4-17.7000117.2
720T41.4Very low38.9Very low126 Ų126140.2 Ų140.277%0.77380%0.797SS**  trans76.1141.916668.40000118.3
721C39.2Very low39.6Very low99 Ų99141 Ų14167%0.66980%0.801SS**  cis-167.3167.7-16.9-860000107.4
722D42Very low39.7Very low129 Ų129137.4 Ų137.469%0.6980%0.796SS**  cis-168154.3-34.8-83.7-21.2000109.1
723D42.7Very low40Very low155 Ų155136 Ų13683%0.82979%0.788SS**  trans55.2156.4159.9-53.9-33.7000121.7
724E45.8Very low40.1Very low191 Ų191137.6 Ų137.689%0.89379%0.787SS**  cis-139.6176.227.9-68.5-175.2120.700116.2
725Q38.5Very low39.7Very low178 Ų178135.7 Ų135.783%0.83279%0.788SS**  trans-71.4152.3-168.3-65.5151.9-22.800115.5
726E35.5Very low40.2Very low180 Ų180134 Ų13484%0.84179%0.789SS**  63.2119.763.2-127.4-171-143.200116.1
727I42.1Very low40.1Very low167 Ų167132 Ų13286%0.85679%0.79SS**  trans-173.4136.8136.6-92.4151.9000108.2
728S35.5Very low40Very low104 Ų104130.1 Ų130.173%0.72779%0.789SS**  trans-134.5135.817563.10000109.9
729E41.8Very low40.4Very low193 Ų193130.7 Ų130.790%0.90279%0.789SS**  trans-139.3156.6165.2-75.4-159.1149.800111.1
730S37.1Very low40.3Very low114 Ų114131.8 Ų131.880%0.79779%0.793SS**  trans-117.9178.4-147.6-64.20000112.8
731P48.8Very low40.2Very low128 Ų128131.3 Ų131.383%0.83180%0.795SS**  trans-105167.8-14840.4-37.2000115.6
732S40Very low40.2Very low106 Ų106129.8 Ų129.874%0.74180%0.797SS**  trans-158.7119.2160.1-167.90000116.1
733S43.2Very low40.1Very low88 Ų88129 Ų12962%0.61580%0.801SS**  trans70.5141.1136.981.10000123.8
734N40.8Very low40.1Very low158 Ų158127.7 Ų127.785%0.84579%0.794SS**  trans75.5121.5147.3-58.2-19.5000119.6
735G34.8Very low39.8Very low72 Ų72125 Ų12574%0.74279%0.785SS**  trans-109170.1166.800000112
736S41.7Very low39.7Very low125 Ų125123 Ų12387%0.87478%0.781SS**  trans-161.5152.1152.2-87.20000110.7
737S37.9Very low39.7Very low119 Ų119123 Ų12383%0.83278%0.783SS**  trans-62.7144.517241.50000112.5
738G37.9Very low39.5Very low77 Ų77119.2 Ų119.279%0.79477%0.771SS**  trans-154.6117.6173.100000109.6
739V39.4Very low39.3Very low129 Ų129121.3 Ų121.378%0.78277%0.774SS**  trans-97.6168.5-172.1-164.20000109.8
740T40Very low38.9Very low130 Ų130121.2 Ų121.280%0.79877%0.774SS**  trans78.6149.5168.880.50000115.5
741S39.8Very low38.8Very low115 Ų115120.9 Ų120.980%0.80477%0.771SS**  cis-173.2155.9-25.151.30000108.8
742G38.8Very low38Very low68 Ų68124 Ų12470%0.70178%0.775SS**  trans113.8112.7143.500000117.8
743S40.3Very low37.7Very low111 Ų111127.1 Ų127.178%0.77678%0.782SS**  trans80.7136.4142.9-640000120.7
744N42.3Very low37.4Very low128 Ų128131.6 Ų131.668%0.68479%0.791SS**  cis-169.1168.6-26.6-123.5-24.8000111.1
745N39Very low37.1Very low134 Ų134132 Ų13272%0.71779%0.788SS**  trans77.1101.4164.2-52.8-27.6000116.3
746N36.9Very low37.1Very low138 Ų138140.1 Ų140.174%0.73880%0.797SS**  61113.265.5-72.8-21.4000114.8
747M36.3Very low36.7Very low179 Ų179138.9 Ų138.988%0.88279%0.789SS**  -172.4144.497.4-87.1-164.878.200107
748S36.8Very low36.4Very low88 Ų88139.2 Ų139.262%0.61579%0.791SS**  cis148.7131.3-4.7-93.90000104.4
749N31.5Very low36.3Very low147 Ų147140 Ų14079%0.78679%0.79SS**  trans-55.9151.3174.6-52.4-51.6000112
750Q34.6Very low35.9Very low192 Ų192138.2 Ų138.290%0.89778%0.783SS**  -170.2153.1111.1-104.2160.798.900114.9
751S33.7Very low35.7Very low106 Ų106137.9 Ų137.974%0.74178%0.781SS**  trans-78.6136.1172.750.10000112.4
752E33Very low35.4Very low193 Ų193140.3 Ų140.390%0.90278%0.78SS**  trans-133.292.6157.3-74.2-160.212900111.7
753L34Very low35.2Very low173 Ų173148.1 Ų148.191%0.90679%0.788SS**  trans-83.4110.1145.5-87.4166000107
754K36.4Very low34.9Very low181 Ų181148.7 Ų148.779%0.78779%0.789SS**  trans-159.8151.3155.4-114.9158.4-170176.70114.6
755E33.9Very low34.4Very low167 Ų167150.4 Ų150.478%0.7880%0.796SS**  trans-55135.4-173.4-61.5140.3117.900114.1
756Y34.5Very low34.3Very low242 Ų242149.4 Ų149.495%0.94980%0.8SS**  trans-9494.9147.9-105.3-90.1000108.8
757S34.1Very low34.3Very low100 Ų100148.6 Ų148.670%0.69980%0.8SS**  trans-69.7153.3169.1-1740000110.8A759S757-A759 PolarHBondContact O-N 2.7Å
758S31.6Very low34Very low126 Ų126152.2 Ų152.288%0.88180%0.804SS**  trans-68118.2174.8-61.80000111.1
759A35.3Very low34.2Very low92 Ų92152.5 Ų152.576%0.7681%0.811SS**  trans-122.5120.6168.800000110.5S757S757-A759 PolarHBondContact O-N 2.7Å
760S31.8Very low34.5Very low92 Ų92155 Ų15564%0.64382%0.815SS**  trans-61.7131.3175.1-176.50000110.8Q762S760-Q762 PolarHBondContact OG-OE1 2.89Å
761V35.3Very low34.7Very low124 Ų124152.7 Ų152.775%0.75281%0.814SS**  trans-120.585.7160.9-1780000108.3R763V761-R763 PolarHBondContact O-N 2.88Å
762Q32.9Very low35Very low166 Ų166155.7 Ų155.778%0.77681%0.814SS**PPolyproline II helixtrans-59.7118.5160.5-80130.9-6500108.9S760S760-Q762 PolarHBondContact OG-OE1 2.89Å
763R35.3Very low35.3Very low232 Ų232153 Ų15388%0.87581%0.806SS**PPolyproline II helixtrans-86.8128.9159.3-72-168.8178.4-151.20.1108.4V761V761-R763 PolarHBondContact O-N 2.88Å
764P33.1Very low35.1Very low122 Ų122152.6 Ų152.679%0.79280%0.799SS**PPolyproline II helixtrans-74.1149.9-176.430.1-34.8000111.9
765I31.6Very low35.3Very low164 Ų164149.3 Ų149.384%0.84180%0.797SS**PPolyproline II helixtrans-68.2131.6162.1-62.2162.6000107.5
766S36.9Very low35.5Very low114 Ų114147 Ų14780%0.79779%0.794SS**  trans-148136.6152.2-167.20000111.4
767T37.8Very low35.8Very low120 Ų120141 Ų14174%0.73678%0.784SS**  trans-85134.2-172.840.50000111.4A769T767-A769 PolarHBondContact O-N 3.06Å; T767-A769 VanDerWaalsContact O-N 3.14Å
768R30.8Very low35.8Very low256 Ų256143.4 Ų143.497%0.96679%0.785SS**  trans-80.292.9173.1-173178.9-177.3-177.11.3110.4
769A39.9Very low36.1Very low93 Ų93144.8 Ų144.877%0.76978%0.775SS**  trans-83.8153.8164.500000111.1T767T767-A769 PolarHBondContact O-N 3.06Å; T767-A769 VanDerWaalsContact O-N 3.14Å
770K37.6Very low35.9Very low200 Ų200146.9 Ų146.987%0.8778%0.778SS**  trans-88.2138.9-178-64.5170.6175175.70111.4
771T39.7Very low36.2Very low143 Ų143149.1 Ų149.188%0.87779%0.788SS**  trans163.9153.4147.733.20000107.9
772K39.2Very low36.2Very low169 Ų169153.8 Ų153.874%0.73579%0.792SS**  cis-160.3140.6-31.4-147.9-162.3172.5-151.90107
773D38.8Very low36.2Very low136 Ų136151 Ų15173%0.72779%0.79SS**  trans57.9151.2159.8-52.6-28000121.4
774Q31.6Very low36.2Very low165 Ų165147.1 Ų147.177%0.77179%0.792SS**  trans-96.9168.3-172-137.6-15989.600110.8V776Q774-V776 VanDerWaalsContact OE1-N 3.16Å
775P39.5Very low36.5Very low113 Ų113146 Ų14673%0.73479%0.787SS**  -156148.880.337.1-15.7000119.5
776V38.3Very low36.5Very low119 Ų119149.5 Ų149.572%0.72179%0.79SS**  trans61.5135.8137-176.70000121.8Q774Q774-V776 VanDerWaalsContact OE1-N 3.16Å
777P40.2Very low36.2Very low115 Ų115150 Ų15075%0.74779%0.792SS**  trans-115.5165.3-176.742.5-33.8000116.4
778E34.7Very low36Very low151 Ų151149.1 Ų149.171%0.70679%0.791SS**  trans-153.6144.8161.1-86.4-154.6133.400115.3
779K38.4Very low36.2Very low154 Ų154143 Ų14367%0.6778%0.781SS**  trans59.7105.7149.6-63.1158.5-174.2155.90119.1
780T31Very low36.1Very low137 Ų137147 Ų14784%0.8478%0.784SS**  76.598.469.2-57.30000116.1
781V38Very low36.1Very low139 Ų139146.5 Ų146.584%0.84278%0.782SS**  trans-145.2113.9155.9-177.50000113.4
782R35.3Very low35.9Very low222 Ų222146 Ų14684%0.83878%0.783SS**  trans24112.9144.7-64.6177.7176.2167.6-1.6122.6
783S31.6Very low36.3Very low106 Ų106143.9 Ų143.974%0.74178%0.784SS**  26.1124.8122.562.80000122
784V37Very low36.7Very low151 Ų151145.6 Ų145.692%0.91579%0.785SS**  trans-130.7148.6141.31800000109
785S38.4Very low37.3Very low98 Ų98140.2 Ų140.269%0.68577%0.774SS**  trans-97.5152.7-159.4540000116.6
786R32.9Very low37.9Very low239 Ų239139 Ų13990%0.90277%0.768SS**  trans29.1128.5142.4-66.4178.9176.3161.6-1.6119.3
787C28.8Very low38.7Very low123 Ų123136.1 Ų136.183%0.83176%0.757SS**  -145.7126.7117.3-161.50000110.8
788S33.5Very low39.4Very low103 Ų103136 Ų13672%0.7275%0.749SS**  trans-82.3140.4171.8-610000110.3
789V35.5Very low40.4Very low126 Ų126135 Ų13576%0.76475%0.748SS**  trans-135.193.4158.3-177.20000109.3K791V789-K791 PolarHBondContact O-N 3.16Å
790E37.5Very low41.4Very low178 Ų178131 Ų13183%0.83274%0.739SS**  trans-68.2121.5152.5-63.2175.8119.600108.1
791K38.4Very low43.1Very low190 Ų190126.9 Ų126.983%0.82672%0.72SS**  trans172.985.2157.4-95.9148.1-168.51750110.2V789V789-K791 PolarHBondContact O-N 3.16Å
792C35.6Very low44.4Very low133 Ų133128.6 Ų128.690%0.89971%0.711SS**  trans-154.741166.1-122.50000114.7
793T47.1Very low46Very low124 Ų124125.7 Ų125.776%0.76170%0.704SS**  trans-106.8-6.8177.547.80000114.4G795T793-G795 PolarHBondContact O-N 3.09Å
794K47Very low47.9Very low171 Ų171125 Ų12574%0.74369%0.692SS**Hα-helixtrans-77.7-16.1-174.8-67-171.3175.9-173.80115.2I798K794-I798 WeakPolarHBondContact O-CD1 3.09Å; K794-I798 WeakPolarHBondContact O-CG1 3.43Å
795G44.9Very low49.4Very low53 Ų53126.2 Ų126.255%0.54668%0.68SS.*Hα-helixtrans-70.9-38.9-178.700000114.6T793T793-G795 PolarHBondContact O-N 3.09Å
796S52.1Low50.8Low86 Ų86130 Ų13060%0.60168%0.68SS**Hα-helixtrans-71.6-39.9-176.1-166.50000112.5I798 L799 S800S796-I798 VanDerWaalsContact C-N 3.32Å; S796-I798 PolarHBondContact O-N 2.95Å; S796-L799 PolarHBondContact O-N 3.22Å; S796-S800 PolarHBondContact O-N 3.29Å; S796-S800 VanDerWaalsContact O-N 3.08Å; S796-S800 PolarHBondContact O-OG 2.85Å
797A54Low52.6Low60 Ų60127.1 Ų127.150%0.49667%0.669SS.*Hα-helixtrans-64.8-32179.300000113.6S800 A801A797-S800 PolarHBondContact O-OG 3.1Å; A797-S800 VanDerWaalsContact O-OG 3.07Å; A797-A801 VanDerWaalsContact O-CB 3.26Å; A797-A801 WeakPolarHBondContact O-CB 3.4Å; A797-A801 PolarHBondContact O-N 2.85Å
798I56.5Low54.8Low113 Ų113126.8 Ų126.858%0.57966%0.655SS**Hα-helixtrans-71.3-37.2176.7-64.6169.8000110.5K794 S796 R802K794-I798 WeakPolarHBondContact O-CD1 3.09Å; K794-I798 WeakPolarHBondContact O-CG1 3.43Å; S796-I798 VanDerWaalsContact C-N 3.32Å; S796-I798 PolarHBondContact O-N 2.95Å; I798-R802 WeakPolarHBondContact O-CB 3.41Å; I798-R802 PolarHBondContact O-N 3.39Å
799L55.7Low57Low128 Ų128126.6 Ų126.667%0.6765%0.646SS**Hα-helixtrans-68.6-41.4176.6-93.4157.1000112.5S796 K803S796-L799 PolarHBondContact O-N 3.22Å; L799-K803 WeakPolarHBondContact O-CB 3.42Å; L799-K803 PolarHBondContact O-N 3.03Å; L799-K803 VanDerWaalsContact O-N 3.08Å
800S59.1Low58.9Low70 Ų70130 Ų13049%0.4965%0.645SS.*Hα-helixtrans-67.1-45.2174.859.20000112S796 A797 R802 K803 N804S796-S800 PolarHBondContact O-N 3.29Å; S796-S800 VanDerWaalsContact O-N 3.08Å; S796-S800 PolarHBondContact O-OG 2.85Å; A797-S800 PolarHBondContact O-OG 3.1Å; A797-S800 VanDerWaalsContact O-OG 3.07Å; S800-R802 VanDerWaalsContact C-N 3.35Å; S800-R802 PolarHBondContact O-N 3.25Å; S800-K803 PolarHBondContact O-N 3Å; S800-K803 VanDerWaalsContact O-N 3.12Å; S800-N804 PolarHBondContact O-N 3.25Å
801A66Low60.9Low52 Ų52126.9 Ų126.943%0.4363%0.634SS.*Hα-helixtrans-60-41.1175.700000112.6A797 K803 N804 R805A797-A801 VanDerWaalsContact O-CB 3.26Å; A797-A801 WeakPolarHBondContact O-CB 3.4Å; A797-A801 PolarHBondContact O-N 2.85Å; A801-K803 VanDerWaalsContact C-N 3.3Å; A801-K803 PolarHBondContact O-N 3.29Å; A801-N804 PolarHBondContact O-N 3.01Å; A801-R805 PolarHBondContact O-N 3.47Å
802R66.3Low62.9Low175 Ų175123 Ų12366%0.6662%0.621SS**Hα-helixtrans-70.4-25.6177.1-160.3173.2-169.4179.83112.7I798 S800 R806I798-R802 WeakPolarHBondContact O-CB 3.41Å; I798-R802 PolarHBondContact O-N 3.39Å; S800-R802 VanDerWaalsContact C-N 3.35Å; S800-R802 PolarHBondContact O-N 3.25Å; R802-R806 PolarHBondContact O-N 3.22Å
803K68.1Low65Low160 Ų160120.8 Ų120.870%0.69660%0.604SS**Hα-helixtrans-78-34.5173.3-142.9172.7-172178.60111.9L799 S800 A801 R807L799-K803 WeakPolarHBondContact O-CB 3.42Å; L799-K803 PolarHBondContact O-N 3.03Å; L799-K803 VanDerWaalsContact O-N 3.08Å; S800-K803 PolarHBondContact O-N 3Å; S800-K803 VanDerWaalsContact O-N 3.12Å; A801-K803 VanDerWaalsContact C-N 3.3Å; A801-K803 PolarHBondContact O-N 3.29Å; K803-R807 PolarHBondContact O-N 3.31Å
804N71.3Confident66.3Low91 Ų91119 Ų11949%0.48759%0.589SS.*Hα-helixtrans-70.4-47.2172.8-8711.5000112.4S800 A801 R806 R807 E808S800-N804 PolarHBondContact O-N 3.25Å; A801-N804 PolarHBondContact O-N 3.01Å; N804-R806 VanDerWaalsContact C-N 3.28Å; N804-R806 PolarHBondContact O-N 3.02Å; N804-R807 CarbonylContact O-C 3.59Å; N804-R807 WeakPolarHBondContact O-CA 3.27Å; N804-R807 WeakPolarHBondContact O-CB 3.48Å; N804-R807 PolarHBondContact O-N 2.87Å; N804-E808 PolarHBondContact O-N 3.41Å
805R69.2Low67.8Low177 Ų177116.1 Ų116.167%0.66858%0.579SS**Hα-helixtrans-55.9-42.4174.9-73-167.2-172-167.52.5112.3A801 R807 E808 D809A801-R805 PolarHBondContact O-N 3.47Å; R805-R807 PolarHBondContact O-N 3.3Å; R805-E808 PolarHBondContact O-N 3.07Å; R805-E808 VanDerWaalsContact O-N 3.16Å; R805-D809 WeakPolarHBondContact O-CB 3.43Å; R805-D809 PolarHBondContact O-N 3.13Å
806R67Low69.3Low179 Ų179119.4 Ų119.468%0.67558%0.58SS**Hα-helixtrans-63.9-21.9174.1-80.3-174.7168.6-168.2-3114.8R802 N804R802-R806 PolarHBondContact O-N 3.22Å; N804-R806 VanDerWaalsContact C-N 3.28Å; N804-R806 PolarHBondContact O-N 3.02Å
807R70.5Confident70.4Confident178 Ų178118.5 Ų118.567%0.67257%0.571SS**Hα-helixtrans-81.7-42.8170.8-80.9-179.7162.9-179.1-7.1111.1K803 N804 R805 R810 L811K803-R807 PolarHBondContact O-N 3.31Å; N804-R807 CarbonylContact O-C 3.59Å; N804-R807 WeakPolarHBondContact O-CA 3.27Å; N804-R807 WeakPolarHBondContact O-CB 3.48Å; N804-R807 PolarHBondContact O-N 2.87Å; R805-R807 PolarHBondContact O-N 3.3Å; R807-R810 PolarHBondContact O-N 2.88Å; R807-L811 WeakPolarHBondContact O-CG 3.5Å; R807-L811 PolarHBondContact O-N 2.76Å
808E76.4Confident71.3Confident115 Ų115124.6 Ų124.654%0.53758%0.581SS.*Hα-helixtrans-61.6-49.2175.6-70166.7165.800111.1N804 R805 R810 L811 L812N804-E808 PolarHBondContact O-N 3.41Å; R805-E808 PolarHBondContact O-N 3.07Å; R805-E808 VanDerWaalsContact O-N 3.16Å; E808-R810 VanDerWaalsContact C-N 3.3Å; E808-R810 PolarHBondContact O-N 3.16Å; E808-L811 PolarHBondContact O-N 2.82Å; E808-L811 VanDerWaalsContact O-N 3.12Å; E808-L812 WeakPolarHBondContact O-CB 3.46Å; E808-L812 PolarHBondContact O-N 3.49Å
809D78.5Confident72.3Confident99 Ų99125 Ų12553%0.52958%0.578SS.*Hα-helixtrans-56.4-41.8175.9-66.3-30000111.7R805 L812 V813R805-D809 WeakPolarHBondContact O-CB 3.43Å; R805-D809 PolarHBondContact O-N 3.13Å; D809-L812 PolarHBondContact O-N 3.4Å; D809-V813 VanDerWaalsContact O-CG2 3.32Å; D809-V813 WeakPolarHBondContact O-CG2 3.28Å; D809-V813 PolarHBondContact O-N 3.18Å
810R75.3Confident73Confident197 Ų197121.8 Ų121.874%0.74357%0.567SS**Hα-helixtrans-65.3-46175.2-87.2-170.4171.1-153.9-2.4112.3R807 E808 L812 V813 D814R807-R810 PolarHBondContact O-N 2.88Å; E808-R810 VanDerWaalsContact C-N 3.3Å; E808-R810 PolarHBondContact O-N 3.16Å; R810-L812 VanDerWaalsContact C-N 3.26Å; R810-L812 PolarHBondContact O-N 2.91Å; R810-V813 PolarHBondContact O-N 2.94Å; R810-D814 WeakPolarHBondContact O-CB 3.33Å; R810-D814 PolarHBondContact O-N 3.48Å
811L78.9Confident73.4Confident114 Ų114122.3 Ų122.360%0.59757%0.567SS**Hα-helixtrans-64.3-32.2177.5-71.8169.9000112.3R807 E808 Q815R807-L811 WeakPolarHBondContact O-CG 3.5Å; R807-L811 PolarHBondContact O-N 2.76Å; E808-L811 PolarHBondContact O-N 2.82Å; E808-L811 VanDerWaalsContact O-N 3.12Å; L811-Q815 PolarHBondContact O-N 3.11Å
812L81.6Confident73.5Confident108 Ų108122.7 Ų122.757%0.56557%0.57SS**Hα-helixtrans-74.1-40.8177.8-147.3153.9000110.9E808 D809 R810 Q815 Q816E808-L812 WeakPolarHBondContact O-CB 3.46Å; E808-L812 PolarHBondContact O-N 3.49Å; D809-L812 PolarHBondContact O-N 3.4Å; R810-L812 VanDerWaalsContact C-N 3.26Å; R810-L812 PolarHBondContact O-N 2.91Å; L812-Q815 PolarHBondContact O-N 3.45Å; L812-Q816 WeakPolarHBondContact O-CB 3.29Å; L812-Q816 PolarHBondContact O-N 3.02Å
813V78.8Confident73.4Confident87 Ų87123.7 Ų123.753%0.52757%0.574SS.*Hα-helixtrans-63.3-40.9170.1170.90000111.9D809 R810 Q815 Q816 T817D809-V813 VanDerWaalsContact O-CG2 3.32Å; D809-V813 WeakPolarHBondContact O-CG2 3.28Å; D809-V813 PolarHBondContact O-N 3.18Å; R810-V813 PolarHBondContact O-N 2.94Å; V813-Q815 PolarHBondContact O-N 3.28Å; V813-Q816 PolarHBondContact O-N 2.88Å; V813-T817 HydrophobicContact CG1-CG2 4.45Å; V813-T817 WeakPolarHBondContact O-CB 3.28Å; V813-T817 WeakPolarHBondContact O-CG2 3.27Å; V813-T817 PolarHBondContact O-N 3.42Å; V813-T817 PolarHBondContact O-OG1 2.99Å
814D75.8Confident73.1Confident87 Ų87123.9 Ų123.947%0.46557%0.574SS.*Hα-helixtrans-66.1-35.1175.2-76.6-10.5000112R810 T817 R818R810-D814 WeakPolarHBondContact O-CB 3.33Å; R810-D814 PolarHBondContact O-N 3.48Å; D814-T817 WeakPolarHBondContact CA-OG1 3.34Å; D814-T817 PolarHBondContact O-OG1 3.17Å; D814-T817 VanDerWaalsContact O-OG1 3.08Å; D814-R818 WeakPolarHBondContact O-CB 3.47Å; D814-R818 WeakPolarHBondContact O-CG 3.36Å; D814-R818 PolarHBondContact O-N 3.46Å; D814-R818 VanDerWaalsContact O-N 3.07Å
815Q77Confident72.7Confident110 Ų110124.4 Ų124.451%0.51458%0.581SS.*Hα-helixtrans-68.9-42.2169.7-83.5-159.631.600112.7L811 L812 V813 T817 R818 K819L811-Q815 PolarHBondContact O-N 3.11Å; L812-Q815 PolarHBondContact O-N 3.45Å; V813-Q815 PolarHBondContact O-N 3.28Å; Q815-T817 VanDerWaalsContact C-N 3.35Å; Q815-R818 PolarHBondContact O-N 3.09Å; Q815-K819 WeakPolarHBondContact O-CB 2.95Å; Q815-K819 WeakPolarHBondContact O-CG 3.31Å; Q815-K819 PolarHBondContact O-N 2.83Å
816Q76.3Confident72.3Confident122 Ų122119.7 Ų119.757%0.5758%0.575SS**Hα-helixtrans-63.6-42.8-179-153.686.8-10.500110.8L812 V813 K819 S820L812-Q816 WeakPolarHBondContact O-CB 3.29Å; L812-Q816 PolarHBondContact O-N 3.02Å; V813-Q816 PolarHBondContact O-N 2.88Å; Q816-K819 PolarHBondContact O-N 3.38Å; Q816-S820 PolarHBondContact O-N 3.35Å
817T75.5Confident71.9Confident67 Ų67115.3 Ų115.341%0.41157%0.568SS.*Hα-helixtrans-67.4-44.5175.850.60000111.8V813 D814 Q815 K819 S820 T821V813-T817 HydrophobicContact CG1-CG2 4.45Å; V813-T817 WeakPolarHBondContact O-CB 3.28Å; V813-T817 WeakPolarHBondContact O-CG2 3.27Å; V813-T817 PolarHBondContact O-N 3.42Å; V813-T817 PolarHBondContact O-OG1 2.99Å; D814-T817 WeakPolarHBondContact CA-OG1 3.34Å; D814-T817 PolarHBondContact O-OG1 3.17Å; D814-T817 VanDerWaalsContact O-OG1 3.08Å; Q815-T817 VanDerWaalsContact C-N 3.35Å; T817-K819 VanDerWaalsContact C-N 3.34Å; T817-K819 PolarHBondContact O-N 2.92Å; T817-S820 PolarHBondContact O-N 3.41Å; T817-S820 VanDerWaalsContact O-N 3.16Å; T817-S820 PolarHBondContact O-OG 3.5Å; T817-T821 PolarHBondContact O-N 2.99Å; T817-T821 PolarHBondContact O-OG1 3.32Å; T817-T821 VanDerWaalsContact O-OG1 3.12Å
818R73.9Confident71.1Confident188 Ų188116.5 Ų116.571%0.70957%0.572SS**Hα-helixtrans-60-39.1173.1-75.3175.9-176.3-148.71.6113.1D814 Q815 T821 A822D814-R818 WeakPolarHBondContact O-CB 3.47Å; D814-R818 WeakPolarHBondContact O-CG 3.36Å; D814-R818 PolarHBondContact O-N 3.46Å; D814-R818 VanDerWaalsContact O-N 3.07Å; Q815-R818 PolarHBondContact O-N 3.09Å; R818-T821 WeakPolarHBondContact CA-OG1 3.27Å; R818-T821 PolarHBondContact O-OG1 3.33Å; R818-T821 VanDerWaalsContact O-OG1 3.14Å; R818-A822 VanDerWaalsContact O-CB 3.24Å; R818-A822 WeakPolarHBondContact O-CB 3.34Å; R818-A822 PolarHBondContact O-N 3.24Å
819K76Confident70.2Confident121 Ų121114.3 Ų114.353%0.52657%0.574SS.*Hα-helixtrans-68.1-35.2175.1-74.3170.9-177.5168.30111.9Q815 Q816 T817 R823Q815-K819 WeakPolarHBondContact O-CB 2.95Å; Q815-K819 WeakPolarHBondContact O-CG 3.31Å; Q815-K819 PolarHBondContact O-N 2.83Å; Q816-K819 PolarHBondContact O-N 3.38Å; T817-K819 VanDerWaalsContact C-N 3.34Å; T817-K819 PolarHBondContact O-N 2.92Å; K819-R823 WeakPolarHBondContact O-CG 3.3Å; K819-R823 PolarHBondContact O-N 2.72Å
820S70.5Confident69.4Low61 Ų61115 Ų11543%0.42758%0.582SS.*Hα-helixtrans-74.6-37.2177.582.50000112.8Q816 T817 R823 K824Q816-S820 PolarHBondContact O-N 3.35Å; T817-S820 PolarHBondContact O-N 3.41Å; T817-S820 VanDerWaalsContact O-N 3.16Å; T817-S820 PolarHBondContact O-OG 3.5Å; S820-R823 PolarHBondContact O-N 3.12Å; S820-K824 PolarHBondContact O-N 3.13Å
821T68.2Low68.3Low80 Ų80113.6 Ų113.649%0.49158%0.584SS.*Hα-helixtrans-69.6-41.3172.951.80000111.6T817 R818 R823 K824 V825T817-T821 PolarHBondContact O-N 2.99Å; T817-T821 PolarHBondContact O-OG1 3.32Å; T817-T821 VanDerWaalsContact O-OG1 3.12Å; R818-T821 WeakPolarHBondContact CA-OG1 3.27Å; R818-T821 PolarHBondContact O-OG1 3.33Å; R818-T821 VanDerWaalsContact O-OG1 3.14Å; T821-R823 PolarHBondContact O-N 3.26Å; T821-K824 PolarHBondContact O-N 2.94Å; T821-V825 WeakPolarHBondContact O-CG2 3.3Å; T821-V825 PolarHBondContact O-N 3.48Å
822A67.8Low66.9Low60 Ų60116.8 Ų116.850%0.49661%0.607SS.*Hα-helixtrans-58.5-43.7172.600000112.3R818 V825 S826R818-A822 VanDerWaalsContact O-CB 3.24Å; R818-A822 WeakPolarHBondContact O-CB 3.34Å; R818-A822 PolarHBondContact O-N 3.24Å; A822-V825 PolarHBondContact O-N 2.76Å; A822-S826 WeakPolarHBondContact O-CB 3.36Å; A822-S826 PolarHBondContact O-N 3.33Å
823R65Low66.2Low196 Ų196117.2 Ų117.274%0.7461%0.609SS**Hα-helixtrans-63.5-42.8173.3-78.3-175.5174.7-170.1-2112.6K819 S820 T821 V825 S826 V827K819-R823 WeakPolarHBondContact O-CG 3.3Å; K819-R823 PolarHBondContact O-N 2.72Å; S820-R823 PolarHBondContact O-N 3.12Å; T821-R823 PolarHBondContact O-N 3.26Å; R823-V825 VanDerWaalsContact C-N 3.35Å; R823-V825 PolarHBondContact O-N 3.31Å; R823-S826 PolarHBondContact O-N 3.5Å; R823-V827 WeakPolarHBondContact O-CG2 3.13Å; R823-V827 PolarHBondContact O-N 3.27Å
824K62.3Low65.5Low164 Ų164118.8 Ų118.871%0.71361%0.614SS**Hα-helixtrans-64-36.4176.5-81.1-176.4172.7-176.30113S820 T821 R828S820-K824 PolarHBondContact O-N 3.13Å; T821-K824 PolarHBondContact O-N 2.94Å; K824-R828 WeakPolarHBondContact O-CB 3.3Å; K824-R828 PolarHBondContact O-N 2.9Å
825V62.2Low65Low103 Ų103120.6 Ų120.662%0.62462%0.622SS**Hα-helixtrans-70.2-43.9174.3173.30000110.7T821 A822 R823 V827 R828 A829T821-V825 WeakPolarHBondContact O-CG2 3.3Å; T821-V825 PolarHBondContact O-N 3.48Å; A822-V825 PolarHBondContact O-N 2.76Å; R823-V825 VanDerWaalsContact C-N 3.35Å; R823-V825 PolarHBondContact O-N 3.31Å; V825-V827 PolarHBondContact O-N 3.39Å; V825-R828 PolarHBondContact O-N 2.79Å; V825-A829 PolarHBondContact O-N 3.01Å
826S60.9Low64.3Low77 Ų77121.2 Ų121.254%0.53863%0.628SS.*Hα-helixtrans-62.9-41.3179.2-1690000113.3A822 R823 R828 A829 T830A822-S826 WeakPolarHBondContact O-CB 3.36Å; A822-S826 PolarHBondContact O-N 3.33Å; R823-S826 PolarHBondContact O-N 3.5Å; S826-R828 VanDerWaalsContact C-N 3.35Å; S826-A829 PolarHBondContact O-N 2.84Å; S826-T830 PolarHBondContact O-N 2.94Å; S826-T830 PolarHBondContact O-OG1 2.98Å
827V58.6Low63.5Low87 Ų87121.1 Ų121.153%0.52763%0.632SS.*Hα-helixtrans-68-36.2176.9172.60000111.1R823 V825 A829 T830R823-V827 WeakPolarHBondContact O-CG2 3.13Å; R823-V827 PolarHBondContact O-N 3.27Å; V825-V827 PolarHBondContact O-N 3.39Å; V827-A829 VanDerWaalsContact C-N 3.26Å; V827-A829 PolarHBondContact O-N 2.93Å; V827-T830 PolarHBondContact O-N 3.09Å; V827-T830 PolarHBondContact O-OG1 3.14Å
828R53.5Low62.7Low204 Ų204124.7 Ų124.777%0.7765%0.647SS**Hα-helixtrans-72.2-20.5176.9-144.4174.7-165.8-176.42.3113.3K824 V825 S826K824-R828 WeakPolarHBondContact O-CB 3.3Å; K824-R828 PolarHBondContact O-N 2.9Å; V825-R828 PolarHBondContact O-N 2.79Å; S826-R828 VanDerWaalsContact C-N 3.35Å
829A58.2Low61.9Low69 Ų69120.2 Ų120.257%0.5764%0.642SS**THydrogen-bonded Turntrans-90.14.517300000114V825 S826 V827V825-A829 PolarHBondContact O-N 3.01Å; S826-A829 PolarHBondContact O-N 2.84Å; V827-A829 VanDerWaalsContact C-N 3.26Å; V827-A829 PolarHBondContact O-N 2.93Å
830T60.2Low60.8Low112 Ų112120.2 Ų120.269%0.68765%0.651SS**SBendtrans-118.810.2170.920.60000112.7S826 V827S826-T830 PolarHBondContact O-N 2.94Å; S826-T830 PolarHBondContact O-OG1 2.98Å; V827-T830 PolarHBondContact O-N 3.09Å; V827-T830 PolarHBondContact O-OG1 3.14Å
831Q52.8Low60Low168 Ų168125.1 Ų125.179%0.78567%0.67SS**  trans-125.412.7173.8-88.1-174.3-28.100112.9
832V50.5Low59.3Low181 Ų181129.2 Ų129.2100%1.09769%0.686SS**  trans-120.40162.6-178.40000106.1

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