A0A077ZKU4_TRITR Loading...

Transmembrane protein 199

AlphaFold DB , UniProt , Accession A0A077ZKU4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 192 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
1M55.9Low78.5Confident200 Ų20082.2 Ų82.299%0.98541%0.408SS*.  0960-175166.4141.800106.7P72M1-P72 HydrophobicContact CE-CG 3.88Å; M1-P72 HydrophobicContact CG-CB 4.19Å; M1-P72 HydrophobicContact CG-CG 3.36Å; M1-P72 HydrophobicContact SD-CG 4.21Å
2E70.6Confident78.7Confident71 Ų7175.8 Ų75.833%0.33238%0.377SS..  trans-96.1121.3-175.4-65.7-170.8168.100109.3T43 R45E2-T43 HydrophobicContact CB-CG2 4.14Å; E2-R45 IonicContact OE1-CZ 3.11Å; E2-R45 IonicContact OE1-NE 3.53Å; E2-R45 IonicContact OE1-NH1 3.01Å; E2-R45 PolarHBondContact OE1-NH1 3.42Å; E2-R45 IonicContact OE1-NH2 2.81Å; E2-R45 PolarHBondContact OE1-NH2 2.7Å
3L79.2Confident79Confident72 Ų7273.5 Ų73.538%0.37737%0.372SS..  trans-73.5128.6171.8-76.9149.5000108.2V44 L69L3-V44 HydrophobicContact CB-CG2 3.87Å; L3-V44 PolarHBondContact O-N 2.85Å; L3-L69 HydrophobicContact CD2-CD1 4.1Å
4R83Confident79.5Confident71 Ų7175.7 Ų75.727%0.26839%0.385SS..EExtended strand (participates in β ladder)trans-112.3135.6174.7-62.5-157.3-179.8-146.86.3109.1E35 L41 C42 I70R4-E35 IonicContact CZ-OE2 3.35Å; R4-E35 IonicContact NH1-OE2 3.12Å; R4-E35 PolarHBondContact NH1-OE2 2.93Å; R4-E35 IonicContact NH2-OE2 3.96Å; R4-L41 HydrophobicContact CB-CD1 3.87Å; R4-L41 HydrophobicContact CB-CD2 4.16Å; R4-L41 HydrophobicContact CB-CG 3.92Å; R4-L41 HydrophobicContact CG-CD2 4.38Å; R4-C42 CarbonylContact C-O 3.48Å; R4-C42 WeakPolarHBondContact CA-O 3.49Å; R4-I70 PolarHBondContact O-N 3.35Å
5V84.3Confident79.8Confident2 Ų272.5 Ų72.51%0.01237%0.369CS..EExtended strand (participates in β ladder)trans-117.4125.2-177.8-1800000107.1V7 C42 L47 L64 L69V5-V7 HydrophobicContact CG1-CG2 4.25Å; V5-C42 PolarHBondContact N-O 3.02Å; V5-C42 PolarHBondContact O-N 2.86Å; V5-L47 HydrophobicContact CB-CD1 4.11Å; V5-L47 HydrophobicContact CG2-CD1 4.06Å; V5-L64 HydrophobicContact CG1-CD1 4.07Å; V5-L64 HydrophobicContact CG2-CD1 3.85Å; V5-L69 HydrophobicContact CG2-CD1 3.84Å
6K84.8Confident80.2Confident75 Ų7568 Ų6833%0.32635%0.346SS..EExtended strand (participates in β ladder)trans-84.4120.3170.9-173.1-177.1173.7-169.50108.8S40 L41 G67 E68 I70K6-S40 CarbonylContact C-O 3.53Å; K6-S40 VanDerWaalsContact CA-O 3.29Å; K6-S40 WeakPolarHBondContact CA-O 3.35Å; K6-L41 HydrophobicContact CB-CD1 4.49Å; K6-G67 CarbonylContact O-C 3.49Å; K6-G67 WeakPolarHBondContact O-CA 3.33Å; K6-E68 HydrophobicContact CB-CB 4.23Å; K6-E68 PolarHBondContact N-O 3.39Å; K6-E68 IonicContact NZ-OE2 2.64Å; K6-E68 PolarHBondContact NZ-OE2 3.24Å; K6-E68 PolarHBondContact O-N 2.96Å; K6-I70 HydrophobicContact CB-CD1 4.24Å
7V83.5Confident80.5Confident3 Ų367.5 Ų67.52%0.01835%0.345CS..  trans-103.3121.5-178.31770000108.8V5 D9 L12 S40 C42 L47 W63V5-V7 HydrophobicContact CG1-CG2 4.25Å; V7-D9 VanDerWaalsContact C-N 3.31Å; V7-D9 HydrophobicContact CG1-CB 3.98Å; V7-L12 HydrophobicContact CB-CD1 3.48Å; V7-L12 VanDerWaalsContact CB-CD1 3.48Å; V7-L12 HydrophobicContact CG1-CB 4.47Å; V7-L12 HydrophobicContact CG1-CD1 3.71Å; V7-L12 HydrophobicContact CG2-CD1 4.07Å; V7-S40 PolarHBondContact N-O 3.36Å; V7-S40 WeakPolarHBondContact O-CB 3.41Å; V7-C42 HydrophobicContact CG2-CB 4.38Å; V7-L47 HydrophobicContact CG2-CD2 4.27Å; V7-W63 HydrophobicContact CG1-CB 4.4Å; V7-W63 HydrophobicContact CG1-CD2 3.81Å; V7-W63 HydrophobicContact CG1-CE3 3.82Å; V7-W63 HydrophobicContact CG1-CG 4.09Å; V7-W63 HydrophobicContact CG1-CZ3 4.3Å; V7-W63 HydrophobicContact CG2-CE3 4.13Å
8V79.8Confident80.8Confident104 Ų10470.7 Ų70.763%0.6336%0.358SS*.  trans-88.20.1-175.6-174.10000112.4
9D79.9Confident80.9Confident48 Ų4867.2 Ų67.226%0.25734%0.34SS..  trans-80.2124.5-175.4-162.3-17.8000112.4V7 R11 L12 W63V7-D9 VanDerWaalsContact C-N 3.31Å; V7-D9 HydrophobicContact CG1-CB 3.98Å; D9-R11 PolarHBondContact O-N 3.11Å; D9-R11 VanDerWaalsContact O-N 3.16Å; D9-R11 PolarHBondContact OD1-N 3.15Å; D9-L12 WeakPolarHBondContact O-CB 3.46Å; D9-L12 PolarHBondContact O-N 2.79Å; D9-L12 VanDerWaalsContact O-N 3.15Å; D9-W63 PolarHBondContact OD2-NE1 3.15Å
10S80.2Confident81Confident96 Ų9666.6 Ų66.667%0.67134%0.338SS*.THydrogen-bonded Turntrans-53.7-31.817657.80000113.8L12 S13S10-L12 PolarHBondContact O-N 3.05Å; S10-S13 PolarHBondContact O-N 3.02Å; S10-S13 PolarHBondContact O-OG 3.04Å; S10-S13 VanDerWaalsContact O-OG 3.05Å
11R81.9Confident81Confident162 Ų16267.6 Ų67.661%0.61136%0.356SS*.Hα-helixtrans-64.9-21.8-178.4-65.1177.9178.7173.21.7113.6D9 S13 D14 L15D9-R11 PolarHBondContact O-N 3.11Å; D9-R11 VanDerWaalsContact O-N 3.16Å; D9-R11 PolarHBondContact OD1-N 3.15Å; R11-S13 PolarHBondContact O-N 3.04Å; R11-D14 PolarHBondContact O-N 3.26Å; R11-L15 HydrophobicContact CB-CD1 4.31Å; R11-L15 VanDerWaalsContact O-CG 3.24Å; R11-L15 WeakPolarHBondContact O-CG 3.35Å; R11-L15 PolarHBondContact O-N 3.4Å
12L81.7Confident82Confident6 Ų659.8 Ų59.83%0.03132%0.321CS..Hα-helixtrans-56.1-43.8-179.8178.8157.5000111.2V7 D9 S10 D14 L15 V16 C42 W63V7-L12 HydrophobicContact CB-CD1 3.48Å; V7-L12 VanDerWaalsContact CB-CD1 3.48Å; V7-L12 HydrophobicContact CG1-CB 4.47Å; V7-L12 HydrophobicContact CG1-CD1 3.71Å; V7-L12 HydrophobicContact CG2-CD1 4.07Å; D9-L12 WeakPolarHBondContact O-CB 3.46Å; D9-L12 PolarHBondContact O-N 2.79Å; D9-L12 VanDerWaalsContact O-N 3.15Å; S10-L12 PolarHBondContact O-N 3.05Å; L12-D14 VanDerWaalsContact C-N 3.33Å; L12-D14 PolarHBondContact O-N 3.23Å; L12-L15 PolarHBondContact O-N 3.39Å; L12-V16 HydrophobicContact CD2-CG2 3.93Å; L12-V16 HydrophobicContact CG-CG2 4.33Å; L12-V16 WeakPolarHBondContact O-CB 3.25Å; L12-V16 WeakPolarHBondContact O-CG2 3.31Å; L12-V16 PolarHBondContact O-N 3.38Å; L12-C42 WeakPolarHBondContact CD1-SG 3.33Å; L12-W63 HydrophobicContact CB-CH2 4.23Å
13S82.8Confident82.1Confident45 Ų4562.6 Ų62.632%0.31534%0.338SS..Hα-helixtrans-64.3-38.7-176.166.10000112.6S10 R11 N17S10-S13 PolarHBondContact O-N 3.02Å; S10-S13 PolarHBondContact O-OG 3.04Å; S10-S13 VanDerWaalsContact O-OG 3.05Å; R11-S13 PolarHBondContact O-N 3.04Å; S13-N17 PolarHBondContact O-N 2.87Å; S13-N17 VanDerWaalsContact O-N 3.15Å; S13-N17 PolarHBondContact O-ND2 3.33Å
14D86.1Confident81.7Confident105 Ų10565.7 Ų65.756%0.56136%0.355SS*.Hα-helixtrans-70-46.8177.8-62.5-34.7000111.4R11 L12 V16 N17 E18R11-D14 PolarHBondContact O-N 3.26Å; L12-D14 VanDerWaalsContact C-N 3.33Å; L12-D14 PolarHBondContact O-N 3.23Å; D14-V16 VanDerWaalsContact C-N 3.29Å; D14-V16 PolarHBondContact O-N 2.95Å; D14-N17 PolarHBondContact O-N 3.31Å; D14-N17 VanDerWaalsContact O-N 3.11Å; D14-E18 PolarHBondContact O-N 3.28Å
15L84Confident81.3Confident27 Ų2763 Ų6314%0.14135%0.347CS..Hα-helixtrans-62.4-38.3178.8-66168.5000111.7R11 L12 I19 L50 Y54 I58 W63R11-L15 HydrophobicContact CB-CD1 4.31Å; R11-L15 VanDerWaalsContact O-CG 3.24Å; R11-L15 WeakPolarHBondContact O-CG 3.35Å; R11-L15 PolarHBondContact O-N 3.4Å; L12-L15 PolarHBondContact O-N 3.39Å; L15-I19 WeakPolarHBondContact O-CB 3.43Å; L15-I19 WeakPolarHBondContact O-CG1 3.25Å; L15-I19 PolarHBondContact O-N 3.09Å; L15-I19 VanDerWaalsContact O-N 3.09Å; L15-L50 HydrophobicContact CB-CD2 4.07Å; L15-Y54 WeakPolarHBondContact CA-OH 3.25Å; L15-Y54 HydrophobicContact CB-CE2 3.74Å; L15-Y54 HydrophobicContact CD2-CD1 3.83Å; L15-Y54 HydrophobicContact CD2-CD2 3.97Å; L15-Y54 HydrophobicContact CD2-CE1 3.45Å; L15-Y54 VanDerWaalsContact CD2-CE1 3.45Å; L15-Y54 HydrophobicContact CD2-CE2 3.57Å; L15-Y54 HydrophobicContact CD2-CG 4.07Å; L15-Y54 HydrophobicContact CG-CE2 4.19Å; L15-Y54 PolarHBondContact O-OH 2.99Å; L15-I58 HydrophobicContact CD1-CD1 3.75Å; L15-I58 HydrophobicContact CD1-CG1 4.13Å; L15-W63 HydrophobicContact CD1-CH2 3.66Å; L15-W63 HydrophobicContact CD1-CZ2 3.7Å
16V85.8Confident81.2Confident1 Ų166.3 Ų66.31%0.00637%0.37CS..Hα-helixtrans-67.5-37.7175.6171.10000111.5L12 D14 L20 L33 K37L12-V16 HydrophobicContact CD2-CG2 3.93Å; L12-V16 HydrophobicContact CG-CG2 4.33Å; L12-V16 WeakPolarHBondContact O-CB 3.25Å; L12-V16 WeakPolarHBondContact O-CG2 3.31Å; L12-V16 PolarHBondContact O-N 3.38Å; D14-V16 VanDerWaalsContact C-N 3.29Å; D14-V16 PolarHBondContact O-N 2.95Å; V16-L20 VanDerWaalsContact O-CB 3.25Å; V16-L20 WeakPolarHBondContact O-CB 3.39Å; V16-L20 PolarHBondContact O-N 3.01Å; V16-L33 HydrophobicContact CG1-CB 4.1Å; V16-L33 HydrophobicContact CG1-CD2 4.46Å; V16-L33 WeakPolarHBondContact CG1-O 3.21Å; V16-L33 HydrophobicContact CG2-CD2 4.24Å; V16-K37 HydrophobicContact CG1-CB 4.02Å
17N85.3Confident81Confident60 Ų6069 Ų6932%0.32139%0.388SS..Hα-helixtrans-67-41.9178.2-69.3-31.6000112.4S13 D14 L20 A21 K37S13-N17 PolarHBondContact O-N 2.87Å; S13-N17 VanDerWaalsContact O-N 3.15Å; S13-N17 PolarHBondContact O-ND2 3.33Å; D14-N17 PolarHBondContact O-N 3.31Å; D14-N17 VanDerWaalsContact O-N 3.11Å; N17-L20 PolarHBondContact O-N 3.49Å; N17-A21 WeakPolarHBondContact O-CB 3.46Å; N17-A21 PolarHBondContact O-N 3.03Å; N17-K37 VanDerWaalsContact OD1-CE 3.31Å; N17-K37 WeakPolarHBondContact OD1-CE 3.43Å; N17-K37 PolarHBondContact OD1-NZ 2.94Å
18E84.9Confident80.9Confident125 Ų12575.1 Ų75.158%0.58442%0.416SS*.Hα-helixtrans-66.7-40.1178.3173.3-176.8-166.700111.3D14 A21 S22 Y54D14-E18 PolarHBondContact O-N 3.28Å; E18-A21 PolarHBondContact O-N 3.07Å; E18-S22 PolarHBondContact O-N 3.29Å; E18-Y54 VanDerWaalsContact CB-OH 3.25Å; E18-Y54 WeakPolarHBondContact CB-OH 3.18Å; E18-Y54 WeakPolarHBondContact CG-OH 3.45Å; E18-Y54 WeakPolarHBondContact OE2-CE1 3.45Å; E18-Y54 PolarHBondContact OE2-OH 2.98Å
19I83Confident80.9Confident4 Ų472 Ų722%0.02140%0.396CS..Hα-helixtrans-64.9-41.7171.4-75.2-170.3000111.7L15 A21 S22 I25 L33 L50 Y53 Y54L15-I19 WeakPolarHBondContact O-CB 3.43Å; L15-I19 WeakPolarHBondContact O-CG1 3.25Å; L15-I19 PolarHBondContact O-N 3.09Å; L15-I19 VanDerWaalsContact O-N 3.09Å; I19-A21 PolarHBondContact O-N 3.19Å; I19-S22 WeakPolarHBondContact O-CA 3.25Å; I19-S22 VanDerWaalsContact O-CB 3.25Å; I19-S22 WeakPolarHBondContact O-CB 3.46Å; I19-S22 PolarHBondContact O-N 2.96Å; I19-S22 VanDerWaalsContact O-O 3.13Å; I19-I25 HydrophobicContact CB-CD1 4.33Å; I19-I25 HydrophobicContact CG2-CD1 3.09Å; I19-I25 WeakPolarHBondContact O-CD1 3.44Å; I19-L33 HydrophobicContact CG2-CD1 3.54Å; I19-L50 HydrophobicContact CD1-CD2 3.45Å; I19-L50 VanDerWaalsContact CD1-CD2 3.45Å; I19-L50 HydrophobicContact CD1-CG 4.12Å; I19-Y53 HydrophobicContact CD1-CD2 4.4Å; I19-Y53 HydrophobicContact CD1-CG 4.11Å; I19-Y53 HydrophobicContact CG1-CG 4.36Å; I19-Y54 HydrophobicContact CD1-CD2 4Å; I19-Y54 HydrophobicContact CD1-CE2 3.46Å; I19-Y54 VanDerWaalsContact CD1-CE2 3.46Å; I19-Y54 HydrophobicContact CG1-CD2 4.47Å; I19-Y54 HydrophobicContact CG1-CE2 3.56Å
20L82.7Confident81.1Confident54 Ų5471.6 Ų71.628%0.28339%0.392SS..Hα-helixtrans-67.1-27179.1-169.671.8000112.5V16 N17 S22 K30 R34V16-L20 VanDerWaalsContact O-CB 3.25Å; V16-L20 WeakPolarHBondContact O-CB 3.39Å; V16-L20 PolarHBondContact O-N 3.01Å; N17-L20 PolarHBondContact O-N 3.49Å; L20-S22 VanDerWaalsContact C-N 3.27Å; L20-K30 HydrophobicContact CD1-CB 4.28Å; L20-K30 HydrophobicContact CD1-CG 4.33Å; L20-R34 HydrophobicContact CD1-CG 4.41Å; L20-R34 HydrophobicContact CD2-CG 4.4Å
21A81.3Confident81.2Confident88 Ų8872 Ų7273%0.72739%0.385SS*.Hα-helixtrans-73.4-19.6171.300000112.7N17 E18 I19N17-A21 WeakPolarHBondContact O-CB 3.46Å; N17-A21 PolarHBondContact O-N 3.03Å; E18-A21 PolarHBondContact O-N 3.07Å; I19-A21 PolarHBondContact O-N 3.19Å
22S77.2Confident81.2Confident36 Ų3665.3 Ų65.325%0.25236%0.362SS..SBendtrans-82.7122.1173.5-165.40000110.5E18 I19 L20 N24E18-S22 PolarHBondContact O-N 3.29Å; I19-S22 WeakPolarHBondContact O-CA 3.25Å; I19-S22 VanDerWaalsContact O-CB 3.25Å; I19-S22 WeakPolarHBondContact O-CB 3.46Å; I19-S22 PolarHBondContact O-N 2.96Å; I19-S22 VanDerWaalsContact O-O 3.13Å; L20-S22 VanDerWaalsContact C-N 3.27Å; S22-N24 PolarHBondContact O-N 3.39Å
23D72.6Confident81.2Confident130 Ų13065 Ų6570%0.69536%0.361SS*.SBendtrans-81.76.4-174.6-154.119.6000114.5I25 K30D23-I25 PolarHBondContact O-N 3.17Å; D23-I25 VanDerWaalsContact O-N 3.15Å; D23-K30 IonicContact OD1-NZ 2.79Å; D23-K30 PolarHBondContact OD1-NZ 3.09Å
24N71.3Confident81.2Confident137 Ų13770.4 Ų70.473%0.73337%0.374SS*.  trans-85.323.6-173.7-76.4-29.7000114.4S22 Y53S22-N24 PolarHBondContact O-N 3.39Å; N24-Y53 WeakPolarHBondContact CB-OH 3.48Å; N24-Y53 PolarHBondContact O-OH 3Å
25I75Confident81Confident16 Ų1668.9 Ų68.98%0.08236%0.363CS..SBendtrans-126.7134.1-166-58.5175.2000110.4I19 D23 D29 K30 L33 Y53I19-I25 HydrophobicContact CB-CD1 4.33Å; I19-I25 HydrophobicContact CG2-CD1 3.09Å; I19-I25 WeakPolarHBondContact O-CD1 3.44Å; D23-I25 PolarHBondContact O-N 3.17Å; D23-I25 VanDerWaalsContact O-N 3.15Å; I25-D29 HydrophobicContact CG2-CB 3.36Å; I25-K30 HydrophobicContact CB-CG 4.28Å; I25-K30 HydrophobicContact CG2-CG 4.1Å; I25-K30 VanDerWaalsContact O-CE 3.25Å; I25-K30 WeakPolarHBondContact O-CE 3.38Å; I25-L33 HydrophobicContact CD1-CD1 4.36Å; I25-L33 HydrophobicContact CG2-CD1 4.45Å; I25-Y53 HydrophobicContact CD1-CE2 4.21Å; I25-Y53 HydrophobicContact CG1-CE2 4.14Å; I25-Y53 WeakPolarHBondContact CG1-OH 3.46Å
26S81.7Confident80.9Confident71 Ų7167.6 Ų67.650%0.49736%0.357SS..  trans-55.2142.1177.2-174.30000111Q28 D29 K30S26-Q28 PolarHBondContact O-N 3.25Å; S26-Q28 VanDerWaalsContact O-N 3.09Å; S26-D29 WeakPolarHBondContact CB-OD2 3.32Å; S26-D29 WeakPolarHBondContact O-CB 3.18Å; S26-D29 PolarHBondContact O-N 3.29Å; S26-K30 PolarHBondContact O-N 2.95Å
27D80.7Confident80.7Confident132 Ų13272.3 Ų72.371%0.70638%0.377SS*.Hα-helixtrans-55.8-31.9-178.6-67.8-42.1000112.8K30 L31D27-K30 PolarHBondContact O-N 3.39Å; D27-L31 PolarHBondContact O-N 3.46Å
28Q81.6Confident80.5Confident130 Ų13077.2 Ų77.261%0.60740%0.398SS*.Hα-helixtrans-67.6-41.2176.2-169.7170.92.300112.3S26 L31 D32S26-Q28 PolarHBondContact O-N 3.25Å; S26-Q28 VanDerWaalsContact O-N 3.09Å; Q28-L31 PolarHBondContact O-N 3.02Å; Q28-D32 PolarHBondContact O-N 3.22Å
29D80Confident80.2Confident39 Ų3975.9 Ų75.921%0.20940%0.395CS..Hα-helixtrans-69.8-35.2177.5-63.9-37000110.8I25 S26 L31 D32 L33 L49I25-D29 HydrophobicContact CG2-CB 3.36Å; S26-D29 WeakPolarHBondContact CB-OD2 3.32Å; S26-D29 WeakPolarHBondContact O-CB 3.18Å; S26-D29 PolarHBondContact O-N 3.29Å; D29-L31 VanDerWaalsContact C-N 3.27Å; D29-L31 PolarHBondContact O-N 3.24Å; D29-D32 PolarHBondContact O-N 3.16Å; D29-L33 WeakPolarHBondContact O-CB 3.19Å; D29-L33 WeakPolarHBondContact O-CD1 3.24Å; D29-L33 WeakPolarHBondContact O-CG 3.5Å; D29-L33 PolarHBondContact O-N 3.43Å; D29-L49 HydrophobicContact CB-CD1 3.8Å; D29-L49 VanDerWaalsContact CG-CD1 3.47Å
30K82.5Confident80.1Confident40 Ų4077.6 Ų77.617%0.17441%0.407CS..Hα-helixtrans-59.6-37.8173.4-71.4177.7175.61700111.5L20 D23 I25 S26 D27 R34L20-K30 HydrophobicContact CD1-CB 4.28Å; L20-K30 HydrophobicContact CD1-CG 4.33Å; D23-K30 IonicContact OD1-NZ 2.79Å; D23-K30 PolarHBondContact OD1-NZ 3.09Å; I25-K30 HydrophobicContact CB-CG 4.28Å; I25-K30 HydrophobicContact CG2-CG 4.1Å; I25-K30 VanDerWaalsContact O-CE 3.25Å; I25-K30 WeakPolarHBondContact O-CE 3.38Å; S26-K30 PolarHBondContact O-N 2.95Å; D27-K30 PolarHBondContact O-N 3.39Å; K30-R34 WeakPolarHBondContact O-CG 3.37Å; K30-R34 PolarHBondContact O-N 3.01Å
31L84Confident80Confident103 Ų10376.7 Ų76.754%0.53940%0.403SS..Hα-helixtrans-69.2-49.5177-176.363.5000111.7D27 Q28 D29 L33 R34 E35D27-L31 PolarHBondContact O-N 3.46Å; Q28-L31 PolarHBondContact O-N 3.02Å; D29-L31 VanDerWaalsContact C-N 3.27Å; D29-L31 PolarHBondContact O-N 3.24Å; L31-L33 PolarHBondContact O-N 3.21Å; L31-R34 WeakPolarHBondContact O-CB 3.34Å; L31-R34 PolarHBondContact O-N 3.31Å; L31-R34 VanDerWaalsContact O-N 3.07Å; L31-E35 PolarHBondContact O-N 3.05Å
32D80.8Confident80Confident22 Ų2272.5 Ų72.512%0.11837%0.368CS..Hα-helixtrans-60.3-35.3178.8-73.3-13.9000112Q28 D29 E35 A36 T46Q28-D32 PolarHBondContact O-N 3.22Å; D29-D32 PolarHBondContact O-N 3.16Å; D32-E35 PolarHBondContact O-N 3.42Å; D32-A36 WeakPolarHBondContact O-CB 3.4Å; D32-A36 PolarHBondContact O-N 2.62Å; D32-T46 HydrophobicContact CB-CG2 3.56Å
33L82Confident80.4Confident1 Ų171 Ų711%0.00536%0.357CS..Hα-helixtrans-67.1-40.4174.6-74.9169000112.3V16 I19 I25 D29 L31 A36 K37V16-L33 HydrophobicContact CG1-CB 4.1Å; V16-L33 HydrophobicContact CG1-CD2 4.46Å; V16-L33 WeakPolarHBondContact CG1-O 3.21Å; V16-L33 HydrophobicContact CG2-CD2 4.24Å; I19-L33 HydrophobicContact CG2-CD1 3.54Å; I25-L33 HydrophobicContact CD1-CD1 4.36Å; I25-L33 HydrophobicContact CG2-CD1 4.45Å; D29-L33 WeakPolarHBondContact O-CB 3.19Å; D29-L33 WeakPolarHBondContact O-CD1 3.24Å; D29-L33 WeakPolarHBondContact O-CG 3.5Å; D29-L33 PolarHBondContact O-N 3.43Å; L31-L33 PolarHBondContact O-N 3.21Å; L33-A36 PolarHBondContact O-N 3.07Å; L33-K37 PolarHBondContact O-N 3.46Å
34R83.8Confident80.9Confident158 Ų15867.7 Ų67.760%0.59634%0.342SS*.Hα-helixtrans-63.6-42174.9-73.9175.9-180-157.82.1111.4L20 K30 L31 A36 K37 Q38L20-R34 HydrophobicContact CD1-CG 4.41Å; L20-R34 HydrophobicContact CD2-CG 4.4Å; K30-R34 WeakPolarHBondContact O-CG 3.37Å; K30-R34 PolarHBondContact O-N 3.01Å; L31-R34 WeakPolarHBondContact O-CB 3.34Å; L31-R34 PolarHBondContact O-N 3.31Å; L31-R34 VanDerWaalsContact O-N 3.07Å; R34-A36 VanDerWaalsContact C-N 3.35Å; R34-K37 PolarHBondContact O-N 3.42Å; R34-Q38 PolarHBondContact O-N 3.4Å
35E81.5Confident81.6Confident72 Ų7267.3 Ų67.334%0.33633%0.33SS..Hα-helixtrans-61.4-43.7173.2-69.9-168.9175.600111.7R4 L31 D32 K37 Q38 N39R4-E35 IonicContact CZ-OE2 3.35Å; R4-E35 IonicContact NH1-OE2 3.12Å; R4-E35 PolarHBondContact NH1-OE2 2.93Å; R4-E35 IonicContact NH2-OE2 3.96Å; L31-E35 PolarHBondContact O-N 3.05Å; D32-E35 PolarHBondContact O-N 3.42Å; E35-K37 VanDerWaalsContact C-N 3.31Å; E35-K37 PolarHBondContact O-N 3.29Å; E35-Q38 PolarHBondContact O-N 2.67Å; E35-N39 PolarHBondContact O-N 3.4Å
36A81.8Confident82Confident1 Ų166.6 Ų66.61%0.00833%0.326CS..Hα-helixtrans-61.3-38.817900000112.5D32 L33 R34 S40 L41D32-A36 WeakPolarHBondContact O-CB 3.4Å; D32-A36 PolarHBondContact O-N 2.62Å; L33-A36 PolarHBondContact O-N 3.07Å; R34-A36 VanDerWaalsContact C-N 3.35Å; A36-S40 WeakPolarHBondContact O-CA 3.21Å; A36-S40 PolarHBondContact O-N 3.15Å; A36-L41 WeakPolarHBondContact CA-O 3Å; A36-L41 PolarHBondContact O-N 3.5Å
37K80Confident82.2Confident99 Ų9963.9 Ų63.943%0.4331%0.307SS..Hα-helixtrans-64.4-43.8175.9-177.2180174.6-177.30112.2V16 N17 L33 R34 E35V16-K37 HydrophobicContact CG1-CB 4.02Å; N17-K37 VanDerWaalsContact OD1-CE 3.31Å; N17-K37 WeakPolarHBondContact OD1-CE 3.43Å; N17-K37 PolarHBondContact OD1-NZ 2.94Å; L33-K37 PolarHBondContact O-N 3.46Å; R34-K37 PolarHBondContact O-N 3.42Å; E35-K37 VanDerWaalsContact C-N 3.31Å; E35-K37 PolarHBondContact O-N 3.29Å
38Q81.2Confident82.5Confident163 Ų16365.1 Ų65.176%0.76230%0.301SS*.Hα-helixtrans-74.4-42.2-173.8-170.8169.126.200112.5R34 E35R34-Q38 PolarHBondContact O-N 3.4Å; E35-Q38 PolarHBondContact O-N 2.67Å
39N79.9Confident82.7Confident98 Ų9861 Ų6152%0.52428%0.283SS..Hα-helixtrans-103.72.5-172.6-67.2-30.7000113.7E35 L41E35-N39 PolarHBondContact O-N 3.4Å; N39-L41 HydrophobicContact CB-CB 3.93Å; N39-L41 PolarHBondContact O-N 2.91Å; N39-L41 VanDerWaalsContact O-N 3.07Å
40S79.8Confident82.9Confident39 Ų3959.2 Ų59.227%0.27327%0.274SS..SBendtrans54.120.4-168.664.90000113.6K6 V7 A36K6-S40 CarbonylContact C-O 3.53Å; K6-S40 VanDerWaalsContact CA-O 3.29Å; K6-S40 WeakPolarHBondContact CA-O 3.35Å; V7-S40 PolarHBondContact N-O 3.36Å; V7-S40 WeakPolarHBondContact O-CB 3.41Å; A36-S40 WeakPolarHBondContact O-CA 3.21Å; A36-S40 PolarHBondContact O-N 3.15Å
41L81.7Confident83Confident36 Ų3661.8 Ų61.819%0.18829%0.285CS..EExtended strand (participates in β ladder)trans-108.2101.6-169-170.880000110R4 K6 A36 N39 I70R4-L41 HydrophobicContact CB-CD1 3.87Å; R4-L41 HydrophobicContact CB-CD2 4.16Å; R4-L41 HydrophobicContact CB-CG 3.92Å; R4-L41 HydrophobicContact CG-CD2 4.38Å; K6-L41 HydrophobicContact CB-CD1 4.49Å; A36-L41 WeakPolarHBondContact CA-O 3Å; A36-L41 PolarHBondContact O-N 3.5Å; N39-L41 HydrophobicContact CB-CB 3.93Å; N39-L41 PolarHBondContact O-N 2.91Å; N39-L41 VanDerWaalsContact O-N 3.07Å; L41-I70 HydrophobicContact CD1-CD1 3.34Å
42C81.4Confident83.1Confident0 Ų062.6 Ų62.60%029%0.29CS..EExtended strand (participates in β ladder)trans-95.2134178.9-64.10000112R4 V5 V7 L12 T46 L47R4-C42 CarbonylContact C-O 3.48Å; R4-C42 WeakPolarHBondContact CA-O 3.49Å; V5-C42 PolarHBondContact N-O 3.02Å; V5-C42 PolarHBondContact O-N 2.86Å; V7-C42 HydrophobicContact CG2-CB 4.38Å; L12-C42 WeakPolarHBondContact CD1-SG 3.33Å; C42-T46 WeakPolarHBondContact CB-OG1 3.48Å; C42-L47 HydrophobicContact CB-CD1 4.38Å; C42-L47 HydrophobicContact CB-CD2 3.91Å; C42-L47 HydrophobicContact CB-CG 3.78Å
43T85Confident83.2Confident4 Ų466.3 Ų66.33%0.02530%0.303CS..EExtended strand (participates in β ladder)trans-75.8153.7164-56.50000109.4E2 R45 T46 L47E2-T43 HydrophobicContact CB-CG2 4.14Å; T43-R45 HydrophobicContact CG2-CB 4.29Å; T43-R45 HydrophobicContact CG2-CG 4.46Å; T43-R45 PolarHBondContact O-N 2.86Å; T43-R45 VanDerWaalsContact O-N 3.07Å; T43-T46 PolarHBondContact N-OG1 2.78Å; T43-T46 PolarHBondContact O-N 3.46Å; T43-T46 PolarHBondContact O-OG1 3.41Å; T43-L47 PolarHBondContact O-N 2.91Å; T43-L47 VanDerWaalsContact O-N 3.09Å
44V83.7Confident83.3Confident61 Ų6167.5 Ų67.537%0.3731%0.307SS..Hα-helixtrans-54.4-30.5174.5177.80000112.4L3 R48L3-V44 HydrophobicContact CB-CG2 3.87Å; L3-V44 PolarHBondContact O-N 2.85Å; V44-R48 WeakPolarHBondContact O-CB 3.29Å; V44-R48 PolarHBondContact O-N 3.01Å
45R84.7Confident83.3Confident128 Ų12861.4 Ų61.448%0.48329%0.294SS..Hα-helixtrans-63.1-48.6173.5-68.3-174.1-178.9144.17112.2E2 T43 L47 R48 L49E2-R45 IonicContact OE1-CZ 3.11Å; E2-R45 IonicContact OE1-NE 3.53Å; E2-R45 IonicContact OE1-NH1 3.01Å; E2-R45 PolarHBondContact OE1-NH1 3.42Å; E2-R45 IonicContact OE1-NH2 2.81Å; E2-R45 PolarHBondContact OE1-NH2 2.7Å; T43-R45 HydrophobicContact CG2-CB 4.29Å; T43-R45 HydrophobicContact CG2-CG 4.46Å; T43-R45 PolarHBondContact O-N 2.86Å; T43-R45 VanDerWaalsContact O-N 3.07Å; R45-L47 PolarHBondContact O-N 3.13Å; R45-R48 WeakPolarHBondContact O-CB 3.42Å; R45-R48 PolarHBondContact O-N 3.36Å; R45-L49 WeakPolarHBondContact O-CG 3.44Å; R45-L49 PolarHBondContact O-N 3.48Å
46T85.2Confident83.2Confident1 Ų165.5 Ų65.51%0.00632%0.318CS..Hα-helixtrans-66.2-38.7179.763.70000111.7D32 C42 T43 R48 L49 L50D32-T46 HydrophobicContact CB-CG2 3.56Å; C42-T46 WeakPolarHBondContact CB-OG1 3.48Å; T43-T46 PolarHBondContact N-OG1 2.78Å; T43-T46 PolarHBondContact O-N 3.46Å; T43-T46 PolarHBondContact O-OG1 3.41Å; T46-R48 VanDerWaalsContact C-N 3.31Å; T46-R48 PolarHBondContact O-N 3.18Å; T46-L49 PolarHBondContact O-N 2.89Å; T46-L50 WeakPolarHBondContact O-CB 3.48Å; T46-L50 WeakPolarHBondContact O-CG 3.4Å; T46-L50 PolarHBondContact O-N 3Å
47L84.8Confident83Confident15 Ų1575.8 Ų75.88%0.07936%0.357CS..Hα-helixtrans-60.1-40.2172.9-72.4175.3000112.3V5 V7 C42 T43 R45 K51 L60 W63V5-L47 HydrophobicContact CB-CD1 4.11Å; V5-L47 HydrophobicContact CG2-CD1 4.06Å; V7-L47 HydrophobicContact CG2-CD2 4.27Å; C42-L47 HydrophobicContact CB-CD1 4.38Å; C42-L47 HydrophobicContact CB-CD2 3.91Å; C42-L47 HydrophobicContact CB-CG 3.78Å; T43-L47 PolarHBondContact O-N 2.91Å; T43-L47 VanDerWaalsContact O-N 3.09Å; R45-L47 PolarHBondContact O-N 3.13Å; L47-K51 PolarHBondContact O-N 3.35Å; L47-L60 HydrophobicContact CB-CD2 4.05Å; L47-L60 HydrophobicContact CD2-CD2 4.29Å; L47-W63 HydrophobicContact CD2-CE3 3.74Å; L47-W63 HydrophobicContact CD2-CZ3 4.1Å
48R87.3Confident83Confident157 Ų15771.6 Ų71.659%0.59234%0.339SS*.Hα-helixtrans-66.7-41.4176.6-172.8-177.8-62.6165.4-0.4111.8V44 R45 T46 K51 N52V44-R48 WeakPolarHBondContact O-CB 3.29Å; V44-R48 PolarHBondContact O-N 3.01Å; R45-R48 WeakPolarHBondContact O-CB 3.42Å; R45-R48 PolarHBondContact O-N 3.36Å; T46-R48 VanDerWaalsContact C-N 3.31Å; T46-R48 PolarHBondContact O-N 3.18Å; R48-K51 PolarHBondContact O-N 3Å; R48-N52 VanDerWaalsContact O-CG 3.31Å; R48-N52 PolarHBondContact O-N 2.77Å; R48-N52 PolarHBondContact O-OD1 3.09Å
49L85.2Confident83.1Confident44 Ų4468 Ų6823%0.2333%0.331CS..Hα-helixtrans-62.8-46.5176-68.9174000111.5D29 R45 T46 K51 N52 Y53D29-L49 HydrophobicContact CB-CD1 3.8Å; D29-L49 VanDerWaalsContact CG-CD1 3.47Å; R45-L49 WeakPolarHBondContact O-CG 3.44Å; R45-L49 PolarHBondContact O-N 3.48Å; T46-L49 PolarHBondContact O-N 2.89Å; L49-K51 VanDerWaalsContact C-N 3.31Å; L49-K51 PolarHBondContact O-N 3.39Å; L49-N52 PolarHBondContact O-N 2.93Å; L49-N52 VanDerWaalsContact O-N 3.12Å; L49-Y53 PolarHBondContact O-N 3.26Å
50L84.5Confident83.3Confident2 Ų266 Ų661%0.0132%0.32CS..Hα-helixtrans-56.4-45.4174.5-79.1160000111.4L15 I19 T46 N52 Y53 Y54 I58 W63L15-L50 HydrophobicContact CB-CD2 4.07Å; I19-L50 HydrophobicContact CD1-CD2 3.45Å; I19-L50 VanDerWaalsContact CD1-CD2 3.45Å; I19-L50 HydrophobicContact CD1-CG 4.12Å; T46-L50 WeakPolarHBondContact O-CB 3.48Å; T46-L50 WeakPolarHBondContact O-CG 3.4Å; T46-L50 PolarHBondContact O-N 3Å; L50-N52 PolarHBondContact O-N 3.06Å; L50-Y53 PolarHBondContact O-N 3.07Å; L50-Y54 HydrophobicContact CD2-CD2 4.17Å; L50-Y54 HydrophobicContact CD2-CE2 3.96Å; L50-Y54 WeakPolarHBondContact O-CB 3.43Å; L50-Y54 WeakPolarHBondContact O-CD2 3.42Å; L50-Y54 PolarHBondContact O-N 3.48Å; L50-I58 HydrophobicContact CB-CD1 4.19Å; L50-W63 HydrophobicContact CD1-CZ3 4.13Å
51K85.7Confident83.5Confident94 Ų9470.7 Ų70.741%0.40934%0.337SS..Hα-helixtrans-61.8-41.7175.9-161.1-154.9-169.3175.60112.3L47 R48 L49 G55 L60L47-K51 PolarHBondContact O-N 3.35Å; R48-K51 PolarHBondContact O-N 3Å; L49-K51 VanDerWaalsContact C-N 3.31Å; L49-K51 PolarHBondContact O-N 3.39Å; K51-G55 VanDerWaalsContact O-CA 3.23Å; K51-G55 WeakPolarHBondContact O-CA 3.42Å; K51-G55 PolarHBondContact O-N 3.42Å; K51-L60 HydrophobicContact CB-CD1 4.04Å; K51-L60 HydrophobicContact CB-CG 4.37Å; K51-L60 HydrophobicContact CD-CD1 3.52Å; K51-L60 HydrophobicContact CD-CG 4.34Å; K51-L60 HydrophobicContact CG-CD1 3.86Å; K51-L60 HydrophobicContact CG-CG 4.21Å
52N85.6Confident83.6Confident119 Ų11974.1 Ų74.164%0.63635%0.352SS*.Hα-helixtrans-67.5-37.2-179.1-74.2-5000112.4R48 L49 L50R48-N52 VanDerWaalsContact O-CG 3.31Å; R48-N52 PolarHBondContact O-N 2.77Å; R48-N52 PolarHBondContact O-OD1 3.09Å; L49-N52 PolarHBondContact O-N 2.93Å; L49-N52 VanDerWaalsContact O-N 3.12Å; L50-N52 PolarHBondContact O-N 3.06Å
53Y83Confident83.8Confident101 Ų10174.8 Ų74.840%0.39636%0.355SS..Hα-helixtrans-74.5-44.1178.8-95.4-90.8000112.9I19 N24 I25 L49 L50I19-Y53 HydrophobicContact CD1-CD2 4.4Å; I19-Y53 HydrophobicContact CD1-CG 4.11Å; I19-Y53 HydrophobicContact CG1-CG 4.36Å; N24-Y53 WeakPolarHBondContact CB-OH 3.48Å; N24-Y53 PolarHBondContact O-OH 3Å; I25-Y53 HydrophobicContact CD1-CE2 4.21Å; I25-Y53 HydrophobicContact CG1-CE2 4.14Å; I25-Y53 WeakPolarHBondContact CG1-OH 3.46Å; L49-Y53 PolarHBondContact O-N 3.26Å; L50-Y53 PolarHBondContact O-N 3.07Å
54Y84Confident83.8Confident25 Ų2579.6 Ų79.610%0.09838%0.38CS..Hα-helixtrans-94.7-11.2-174.4-71.7-72.5000114.5L15 E18 I19 L50 D56 R57 I58L15-Y54 WeakPolarHBondContact CA-OH 3.25Å; L15-Y54 HydrophobicContact CB-CE2 3.74Å; L15-Y54 HydrophobicContact CD2-CD1 3.83Å; L15-Y54 HydrophobicContact CD2-CD2 3.97Å; L15-Y54 HydrophobicContact CD2-CE1 3.45Å; L15-Y54 VanDerWaalsContact CD2-CE1 3.45Å; L15-Y54 HydrophobicContact CD2-CE2 3.57Å; L15-Y54 HydrophobicContact CD2-CG 4.07Å; L15-Y54 HydrophobicContact CG-CE2 4.19Å; L15-Y54 PolarHBondContact O-OH 2.99Å; E18-Y54 VanDerWaalsContact CB-OH 3.25Å; E18-Y54 WeakPolarHBondContact CB-OH 3.18Å; E18-Y54 WeakPolarHBondContact CG-OH 3.45Å; E18-Y54 WeakPolarHBondContact OE2-CE1 3.45Å; E18-Y54 PolarHBondContact OE2-OH 2.98Å; I19-Y54 HydrophobicContact CD1-CD2 4Å; I19-Y54 HydrophobicContact CD1-CE2 3.46Å; I19-Y54 VanDerWaalsContact CD1-CE2 3.46Å; I19-Y54 HydrophobicContact CG1-CD2 4.47Å; I19-Y54 HydrophobicContact CG1-CE2 3.56Å; L50-Y54 HydrophobicContact CD2-CD2 4.17Å; L50-Y54 HydrophobicContact CD2-CE2 3.96Å; L50-Y54 WeakPolarHBondContact O-CB 3.43Å; L50-Y54 WeakPolarHBondContact O-CD2 3.42Å; L50-Y54 PolarHBondContact O-N 3.48Å; Y54-D56 PolarHBondContact O-N 2.95Å; Y54-R57 WeakPolarHBondContact O-CG 3.33Å; Y54-R57 PolarHBondContact O-N 3.18Å; Y54-I58 HydrophobicContact CD2-CD1 3.56Å; Y54-I58 HydrophobicContact CE2-CD1 4.5Å; Y54-I58 HydrophobicContact CG-CD1 3.8Å; Y54-I58 HydrophobicContact CG-CG1 4.38Å
55G82.8Confident83.7Confident31 Ų3180.6 Ų80.632%0.3239%0.389SS..G310 helixtrans57.3-129.9-176.900000112K51 R57K51-G55 VanDerWaalsContact O-CA 3.23Å; K51-G55 WeakPolarHBondContact O-CA 3.42Å; K51-G55 PolarHBondContact O-N 3.42Å; G55-R57 PolarHBondContact O-N 2.98Å
56D79.9Confident83.7Confident157 Ų15777.6 Ų77.684%0.8439%0.387SS*.G310 helixtrans-76.4-0.3-176.4-72.8-21.4000114.5Y54 I58Y54-D56 PolarHBondContact O-N 2.95Å; D56-I58 PolarHBondContact O-N 3.12Å
57R78.7Confident83.6Confident218 Ų21878.3 Ų78.382%0.82339%0.394SS*.G310 helixtrans-66.8-18.9172.8-60.9-163.5-159.8-136.510.2112.8Y54 G55Y54-R57 WeakPolarHBondContact O-CG 3.33Å; Y54-R57 PolarHBondContact O-N 3.18Å; G55-R57 PolarHBondContact O-N 2.98Å
58I79.8Confident83.5Confident11 Ų1183 Ų836%0.05642%0.416CS..SBendtrans-118.9110.3-178.7-53174.5000109.8L15 L50 Y54 D56 L60 W63L15-I58 HydrophobicContact CD1-CD1 3.75Å; L15-I58 HydrophobicContact CD1-CG1 4.13Å; L50-I58 HydrophobicContact CB-CD1 4.19Å; Y54-I58 HydrophobicContact CD2-CD1 3.56Å; Y54-I58 HydrophobicContact CE2-CD1 4.5Å; Y54-I58 HydrophobicContact CG-CD1 3.8Å; Y54-I58 HydrophobicContact CG-CG1 4.38Å; D56-I58 PolarHBondContact O-N 3.12Å; I58-L60 PolarHBondContact O-N 2.88Å; I58-W63 HydrophobicContact CD1-CH2 4.46Å; I58-W63 HydrophobicContact CG2-CD2 4.02Å; I58-W63 HydrophobicContact CG2-CE3 4.25Å; I58-W63 HydrophobicContact CG2-CH2 4.26Å; I58-W63 HydrophobicContact CG2-CZ2 4.03Å; I58-W63 HydrophobicContact CG2-CZ3 4.38Å
59C82.3Confident83.3Confident88 Ų8880.1 Ų80.160%0.59541%0.412SS*.  trans-80.395.7169-62.60000110H61 Q62 W63C59-H61 PolarHBondContact O-N 3.24Å; C59-H61 VanDerWaalsContact O-N 3.11Å; C59-Q62 HydrophobicContact CB-CB 4.17Å; C59-Q62 WeakPolarHBondContact O-CB 3.43Å; C59-Q62 PolarHBondContact O-N 2.76Å; C59-W63 PolarHBondContact O-N 2.84Å
60L84.1Confident83.2Confident54 Ų5481.7 Ų81.728%0.28342%0.42SS..Hα-helixtrans-51.3-36.5177.7-78.4174.4000113.4L47 K51 I58 Q62 W63 L64L47-L60 HydrophobicContact CB-CD2 4.05Å; L47-L60 HydrophobicContact CD2-CD2 4.29Å; K51-L60 HydrophobicContact CB-CD1 4.04Å; K51-L60 HydrophobicContact CB-CG 4.37Å; K51-L60 HydrophobicContact CD-CD1 3.52Å; K51-L60 HydrophobicContact CD-CG 4.34Å; K51-L60 HydrophobicContact CG-CD1 3.86Å; K51-L60 HydrophobicContact CG-CG 4.21Å; I58-L60 PolarHBondContact O-N 2.88Å; L60-Q62 VanDerWaalsContact C-N 3.29Å; L60-Q62 PolarHBondContact O-N 3.36Å; L60-W63 PolarHBondContact O-N 3.38Å; L60-L64 WeakPolarHBondContact O-CB 3.46Å; L60-L64 PolarHBondContact O-N 3.37Å
61H83.6Confident83Confident139 Ų13987.7 Ų87.764%0.64445%0.451SS*.Hα-helixtrans-57.2-43.1176.2172.3-90.2000111.8C59 W63 L64 C65C59-H61 PolarHBondContact O-N 3.24Å; C59-H61 VanDerWaalsContact O-N 3.11Å; H61-W63 VanDerWaalsContact C-N 3.33Å; H61-W63 PolarHBondContact O-N 2.9Å; H61-L64 PolarHBondContact O-N 3.2Å; H61-C65 PolarHBondContact CE1-SG 3.23Å; H61-C65 PolarHBondContact NE2-SG 2.88Å; H61-C65 WeakPolarHBondContact O-CB 3.29Å; H61-C65 PolarHBondContact O-N 3.5Å; H61-C65 PolarHBondContact O-SG 3.34Å; H61-C65 VanDerWaalsContact O-SG 3.33Å
62Q84.7Confident82.7Confident107 Ų10785.1 Ų85.150%0.544%0.444SS..Hα-helixtrans-63.8-41.6179.8-172.163.91200111.4C59 L60 S66C59-Q62 HydrophobicContact CB-CB 4.17Å; C59-Q62 WeakPolarHBondContact O-CB 3.43Å; C59-Q62 PolarHBondContact O-N 2.76Å; L60-Q62 VanDerWaalsContact C-N 3.29Å; L60-Q62 PolarHBondContact O-N 3.36Å; Q62-S66 VanDerWaalsContact O-CB 3.22Å; Q62-S66 WeakPolarHBondContact O-CB 3.33Å; Q62-S66 PolarHBondContact O-N 2.88Å; Q62-S66 PolarHBondContact O-OG 3.38Å
63W85.1Confident82.3Confident15 Ų1584.6 Ų84.66%0.05745%0.45CS..Hα-helixtrans-69.3-34.1178.1-75.515.8000112.6V7 D9 L12 L15 L47 L50 I58 C59 L60 H61 G67V7-W63 HydrophobicContact CG1-CB 4.4Å; V7-W63 HydrophobicContact CG1-CD2 3.81Å; V7-W63 HydrophobicContact CG1-CE3 3.82Å; V7-W63 HydrophobicContact CG1-CG 4.09Å; V7-W63 HydrophobicContact CG1-CZ3 4.3Å; V7-W63 HydrophobicContact CG2-CE3 4.13Å; D9-W63 PolarHBondContact OD2-NE1 3.15Å; L12-W63 HydrophobicContact CB-CH2 4.23Å; L15-W63 HydrophobicContact CD1-CH2 3.66Å; L15-W63 HydrophobicContact CD1-CZ2 3.7Å; L47-W63 HydrophobicContact CD2-CE3 3.74Å; L47-W63 HydrophobicContact CD2-CZ3 4.1Å; L50-W63 HydrophobicContact CD1-CZ3 4.13Å; I58-W63 HydrophobicContact CD1-CH2 4.46Å; I58-W63 HydrophobicContact CG2-CD2 4.02Å; I58-W63 HydrophobicContact CG2-CE3 4.25Å; I58-W63 HydrophobicContact CG2-CH2 4.26Å; I58-W63 HydrophobicContact CG2-CZ2 4.03Å; I58-W63 HydrophobicContact CG2-CZ3 4.38Å; C59-W63 PolarHBondContact O-N 2.84Å; L60-W63 PolarHBondContact O-N 3.38Å; H61-W63 VanDerWaalsContact C-N 3.33Å; H61-W63 PolarHBondContact O-N 2.9Å; W63-G67 WeakPolarHBondContact O-CA 3.24Å; W63-G67 PolarHBondContact O-N 3.02Å
64L84.9Confident82.1Confident104 Ų10484.6 Ų84.655%0.54546%0.462SS..Hα-helixtrans-75.5-36.9176.9-15475.2000112.1V5 L60 H61V5-L64 HydrophobicContact CG1-CD1 4.07Å; V5-L64 HydrophobicContact CG2-CD1 3.85Å; L60-L64 WeakPolarHBondContact O-CB 3.46Å; L60-L64 PolarHBondContact O-N 3.37Å; H61-L64 PolarHBondContact O-N 3.2Å
65C82.8Confident81.7Confident83 Ų8389.2 Ų89.256%0.56150%0.495SS*.Hα-helixtrans-74-35.2176.4-73.30000113.1H61 G67H61-C65 PolarHBondContact CE1-SG 3.23Å; H61-C65 PolarHBondContact NE2-SG 2.88Å; H61-C65 WeakPolarHBondContact O-CB 3.29Å; H61-C65 PolarHBondContact O-N 3.5Å; H61-C65 PolarHBondContact O-SG 3.34Å; H61-C65 VanDerWaalsContact O-SG 3.33Å; C65-G67 VanDerWaalsContact C-N 3.34Å
66S83Confident81.3Confident65 Ų6597.5 Ų97.546%0.45552%0.522SS..Hα-helixtrans-86.3-11.3177.8-45.90000112.5Q62Q62-S66 VanDerWaalsContact O-CB 3.22Å; Q62-S66 WeakPolarHBondContact O-CB 3.33Å; Q62-S66 PolarHBondContact O-N 2.88Å; Q62-S66 PolarHBondContact O-OG 3.38Å
67G82.9Confident81.1Confident15 Ų15101.1 Ų101.116%0.15552%0.524CS..SBendtrans-96.4164.1-176.500000113.2K6 W63 C65K6-G67 CarbonylContact O-C 3.49Å; K6-G67 WeakPolarHBondContact O-CA 3.33Å; W63-G67 WeakPolarHBondContact O-CA 3.24Å; W63-G67 PolarHBondContact O-N 3.02Å; C65-G67 VanDerWaalsContact C-N 3.34Å
68E84.2Confident81.1Confident115 Ų11599.9 Ų99.954%0.53753%0.528SS..EExtended strand (participates in β ladder)trans-98.7124172.1-66.1174.6159.600109.3K6 I70K6-E68 HydrophobicContact CB-CB 4.23Å; K6-E68 PolarHBondContact N-O 3.39Å; K6-E68 IonicContact NZ-OE2 2.64Å; K6-E68 PolarHBondContact NZ-OE2 3.24Å; K6-E68 PolarHBondContact O-N 2.96Å; E68-I70 PolarHBondContact O-N 2.92Å
69L83.5Confident80.9Confident96 Ų96105.6 Ų105.650%0.50355%0.549SS..EExtended strand (participates in β ladder)trans-81113.4174-175.967.6000109.6L3 V5 L71L3-L69 HydrophobicContact CD2-CD1 4.1Å; V5-L69 HydrophobicContact CG2-CD1 3.84Å; L69-L71 PolarHBondContact O-N 3.06Å
70I81.4Confident81Confident77 Ų77104.9 Ų104.940%0.39554%0.539SS..EExtended strand (participates in β ladder)trans-92.6104.8175-65.1159000107.7R4 K6 L41 E68R4-I70 PolarHBondContact O-N 3.35Å; K6-I70 HydrophobicContact CB-CD1 4.24Å; L41-I70 HydrophobicContact CD1-CD1 3.34Å; E68-I70 PolarHBondContact O-N 2.92Å
71L81.1Confident81.2Confident128 Ų128107 Ų10767%0.6756%0.556SS**PPolyproline II helixtrans-68.7132.4172.4-68.9104.1000109.3L69 S73L69-L71 PolarHBondContact O-N 3.06Å; L71-S73 PolarHBondContact O-N 3.39Å
72P78.8Confident81.4Confident40 Ų40106.4 Ų106.426%0.2655%0.553SS.*PPolyproline II helixtrans-63.2123.1170.726-31.2000108.3M1M1-P72 HydrophobicContact CE-CG 3.88Å; M1-P72 HydrophobicContact CG-CB 4.19Å; M1-P72 HydrophobicContact CG-CG 3.36Å; M1-P72 HydrophobicContact SD-CG 4.21Å
73S78.6Confident81.5Confident108 Ų108105.5 Ų105.576%0.75555%0.551SS**PPolyproline II helixtrans-58.9133.5172.2179.20000108.4L71L71-S73 PolarHBondContact O-N 3.39Å
74P77.5Confident81.8Confident100 Ų100108.3 Ų108.365%0.64957%0.567SS**PPolyproline II helixtrans-55.7146.3175.623.5-33000109.7K76P74-K76 PolarHBondContact O-N 2.97Å
75P75.2Confident82.2Confident122 Ų122106 Ų10679%0.79256%0.563SS**PPolyproline II helixtrans-57.5120.2175.324.6-32.7000108.2R77P75-R77 PolarHBondContact O-N 3.45Å
76K75.5Confident82.7Confident206 Ų206109.9 Ų109.990%0.89657%0.566SS**  trans-63.4111173.4-170.8175.5-175.8178.70106.2P74 E78P74-K76 PolarHBondContact O-N 2.97Å; K76-E78 PolarHBondContact O-N 3.47Å
77R75.7Confident83.2Confident233 Ų233110.8 Ų110.888%0.87957%0.565SS**PPolyproline II helixtrans-54.3130.8176.4-62.9-174.7-159.5155.74.9108P75 R79P75-R77 PolarHBondContact O-N 3.45Å; R77-R79 PolarHBondContact O-N 2.84Å
78E77.8Confident83.8Confident192 Ų192115.3 Ų115.390%0.89758%0.583SS**PPolyproline II helixtrans-57.3126.2170.9-167.6173.4-178.200108K76 N80K76-E78 PolarHBondContact O-N 3.47Å; E78-N80 PolarHBondContact O-N 2.96Å
79R76.9Confident84.3Confident131 Ų131116.1 Ų116.149%0.49458%0.584SS.*PPolyproline II helixtrans-73.2119.3-171.8-170.1173.3162.1-174.6-8.7107.5R77 L84 L87R77-R79 PolarHBondContact O-N 2.84Å; R79-L84 HydrophobicContact CB-CD1 4.1Å; R79-L84 HydrophobicContact CB-CG 4.27Å; R79-L84 HydrophobicContact CG-CD1 4.19Å; R79-L84 HydrophobicContact CG-CD2 4.25Å; R79-L84 HydrophobicContact CG-CG 3.8Å; R79-L84 VanDerWaalsContact NE-CD2 3.28Å; R79-L87 VanDerWaalsContact NH2-CB 3.34Å
80N84.4Confident84.8Confident72 Ų72116.3 Ų116.339%0.38559%0.585SS.*PPolyproline II helixtrans-50.2126.9-179.4-179.1-26.9000110.1E78 E82 L83 L84E78-N80 PolarHBondContact O-N 2.96Å; N80-E82 PolarHBondContact O-N 3.14Å; N80-E82 WeakPolarHBondContact OD1-CB 3.44Å; N80-E82 PolarHBondContact OD1-N 3.41Å; N80-L83 HydrophobicContact CB-CB 4.43Å; N80-L83 HydrophobicContact CB-CD1 4.17Å; N80-L83 HydrophobicContact CB-CG 4.15Å; N80-L83 PolarHBondContact O-N 3.28Å; N80-L84 PolarHBondContact O-N 3.24Å; N80-L84 VanDerWaalsContact O-N 3.07Å
81P87Confident85.5Confident100 Ų100120.7 Ų120.765%0.64960%0.597SS**Hα-helixtrans-58-33.1-177.923.6-35000112.6L83 L84 A85P81-L83 VanDerWaalsContact C-N 3.33Å; P81-L83 PolarHBondContact O-N 3.07Å; P81-L84 WeakPolarHBondContact O-CB 3.42Å; P81-L84 PolarHBondContact O-N 3.23Å; P81-A85 PolarHBondContact O-N 3.03Å
82E87.8Confident86.2Confident126 Ų126118.6 Ų118.659%0.58959%0.586SS**Hα-helixtrans-63.6-39.4176.4-61.2-176.2172.300112N80 R86N80-E82 PolarHBondContact O-N 3.14Å; N80-E82 WeakPolarHBondContact OD1-CB 3.44Å; N80-E82 PolarHBondContact OD1-N 3.41Å; E82-R86 WeakPolarHBondContact O-CG 3.43Å; E82-R86 PolarHBondContact O-N 3.23Å
83L88.2Confident87Confident87 Ų87120.5 Ų120.546%0.45559%0.592SS.*Hα-helixtrans-73.5-33.3177.6-64.4-179.6000111.7N80 P81 L87N80-L83 HydrophobicContact CB-CB 4.43Å; N80-L83 HydrophobicContact CB-CD1 4.17Å; N80-L83 HydrophobicContact CB-CG 4.15Å; N80-L83 PolarHBondContact O-N 3.28Å; P81-L83 VanDerWaalsContact C-N 3.33Å; P81-L83 PolarHBondContact O-N 3.07Å; L83-L87 VanDerWaalsContact O-CB 3.32Å; L83-L87 WeakPolarHBondContact O-CB 3.47Å; L83-L87 WeakPolarHBondContact O-CD1 3.45Å; L83-L87 VanDerWaalsContact O-CG 3.26Å; L83-L87 WeakPolarHBondContact O-CG 3.48Å; L83-L87 PolarHBondContact O-N 2.95Å
84L90.6Very high87.7Confident74 Ų74120.9 Ų120.939%0.38758%0.582SS.*Hα-helixtrans-61-49.8171.4-85.5164.6000111.1R79 N80 P81 R86 L87 E88R79-L84 HydrophobicContact CB-CD1 4.1Å; R79-L84 HydrophobicContact CB-CG 4.27Å; R79-L84 HydrophobicContact CG-CD1 4.19Å; R79-L84 HydrophobicContact CG-CD2 4.25Å; R79-L84 HydrophobicContact CG-CG 3.8Å; R79-L84 VanDerWaalsContact NE-CD2 3.28Å; N80-L84 PolarHBondContact O-N 3.24Å; N80-L84 VanDerWaalsContact O-N 3.07Å; P81-L84 WeakPolarHBondContact O-CB 3.42Å; P81-L84 PolarHBondContact O-N 3.23Å; L84-R86 VanDerWaalsContact C-N 3.33Å; L84-R86 PolarHBondContact O-N 3.05Å; L84-L87 PolarHBondContact O-N 3.44Å; L84-L87 VanDerWaalsContact O-N 3.14Å; L84-E88 WeakPolarHBondContact O-CB 3.26Å; L84-E88 PolarHBondContact O-N 2.9Å
85A92.5Very high88.5Confident56 Ų56118.5 Ų118.546%0.46357%0.57SS.*Hα-helixtrans-60.1-41.8177.800000112.1P81 E88 K89P81-A85 PolarHBondContact O-N 3.03Å; A85-E88 PolarHBondContact O-N 2.71Å; A85-K89 WeakPolarHBondContact O-CB 3.32Å; A85-K89 PolarHBondContact O-N 3.43Å
86R94.2Very high89.4Confident164 Ų164117.2 Ų117.262%0.61956%0.557SS**Hα-helixtrans-62.7-42.7174.4-74.1-179.1-174-170.33.9112.3E82 L84 K89 L90E82-R86 WeakPolarHBondContact O-CG 3.43Å; E82-R86 PolarHBondContact O-N 3.23Å; L84-R86 VanDerWaalsContact C-N 3.33Å; L84-R86 PolarHBondContact O-N 3.05Å; R86-K89 PolarHBondContact O-N 3.25Å; R86-L90 WeakPolarHBondContact O-CG 3.36Å; R86-L90 PolarHBondContact O-N 3.42Å
87L93.7Very high90.2Very high84 Ų84114.1 Ų114.144%0.4454%0.543SS..Hα-helixtrans-70.3-35.6-179.5-76.5164.5000111.9R79 L83 L84 R91R79-L87 VanDerWaalsContact NH2-CB 3.34Å; L83-L87 VanDerWaalsContact O-CB 3.32Å; L83-L87 WeakPolarHBondContact O-CB 3.47Å; L83-L87 WeakPolarHBondContact O-CD1 3.45Å; L83-L87 VanDerWaalsContact O-CG 3.26Å; L83-L87 WeakPolarHBondContact O-CG 3.48Å; L83-L87 PolarHBondContact O-N 2.95Å; L84-L87 PolarHBondContact O-N 3.44Å; L84-L87 VanDerWaalsContact O-N 3.14Å; L87-R91 VanDerWaalsContact O-CB 3.24Å; L87-R91 WeakPolarHBondContact O-CB 3.22Å; L87-R91 PolarHBondContact O-N 3.11Å
88E94.4Very high90.9Very high111 Ų111107.4 Ų107.452%0.51952%0.522SS..Hα-helixtrans-63.3-46.3171.5-176.2171.8-161.900111.5L84 A85 L90 R91 N92L84-E88 WeakPolarHBondContact O-CB 3.26Å; L84-E88 PolarHBondContact O-N 2.9Å; A85-E88 PolarHBondContact O-N 2.71Å; E88-L90 PolarHBondContact O-N 3.01Å; E88-R91 PolarHBondContact O-N 3.26Å; E88-N92 WeakPolarHBondContact O-CB 3.37Å; E88-N92 PolarHBondContact O-N 2.91Å; E88-N92 PolarHBondContact O-ND2 3.18Å; E88-N92 PolarHBondContact O-OD1 3.02Å
89K95.1Very high91.4Very high132 Ų132104.6 Ų104.657%0.57450%0.504SS*.Hα-helixtrans-56.5-50.5174.3-177.9179.8175.1-178.50111.9A85 R86 R91 N92 E93A85-K89 WeakPolarHBondContact O-CB 3.32Å; A85-K89 PolarHBondContact O-N 3.43Å; R86-K89 PolarHBondContact O-N 3.25Å; K89-R91 VanDerWaalsContact C-N 3.33Å; K89-R91 PolarHBondContact O-N 3.26Å; K89-N92 PolarHBondContact O-N 3.47Å; K89-E93 WeakPolarHBondContact CE-OE1 3.38Å; K89-E93 WeakPolarHBondContact O-CG 3.35Å; K89-E93 PolarHBondContact O-N 3.19Å
90L95.4Very high91.9Very high99 Ų99103.1 Ų103.152%0.51850%0.504SS..Hα-helixtrans-62.6-39.7178.8-72.1171.6000112.2R86 E88 N92 E93 Q94R86-L90 WeakPolarHBondContact O-CG 3.36Å; R86-L90 PolarHBondContact O-N 3.42Å; E88-L90 PolarHBondContact O-N 3.01Å; L90-N92 VanDerWaalsContact C-N 3.34Å; L90-E93 PolarHBondContact O-N 2.92Å; L90-Q94 WeakPolarHBondContact O-CB 3.23Å; L90-Q94 PolarHBondContact O-N 3.14Å
91R95.6Very high92Very high169 Ų169106.8 Ų106.864%0.63852%0.519SS*.Hα-helixtrans-64-40.8176.1-171.5-178.370.2136.80.1111.3L87 E88 K89 Q94 A95L87-R91 VanDerWaalsContact O-CB 3.24Å; L87-R91 WeakPolarHBondContact O-CB 3.22Å; L87-R91 PolarHBondContact O-N 3.11Å; E88-R91 PolarHBondContact O-N 3.26Å; K89-R91 VanDerWaalsContact C-N 3.33Å; K89-R91 PolarHBondContact O-N 3.26Å; R91-Q94 PolarHBondContact O-N 3.28Å; R91-A95 WeakPolarHBondContact O-CB 3.44Å; R91-A95 PolarHBondContact O-N 3.43Å
92N95.3Very high91.8Very high84 Ų84108.4 Ų108.445%0.44952%0.519SS..Hα-helixtrans-67.1-40.7177-65.6-11.5000111.3E88 K89 L90 Q94 N96E88-N92 WeakPolarHBondContact O-CB 3.37Å; E88-N92 PolarHBondContact O-N 2.91Å; E88-N92 PolarHBondContact O-ND2 3.18Å; E88-N92 PolarHBondContact O-OD1 3.02Å; K89-N92 PolarHBondContact O-N 3.47Å; L90-N92 VanDerWaalsContact C-N 3.34Å; N92-Q94 VanDerWaalsContact C-N 3.35Å; N92-Q94 PolarHBondContact O-N 2.92Å; N92-N96 VanDerWaalsContact O-CB 3.29Å; N92-N96 WeakPolarHBondContact O-CB 3.42Å; N92-N96 PolarHBondContact O-N 3.21Å
93E95.5Very high91.6Very high80 Ų80103.6 Ų103.637%0.37450%0.498SS..Hα-helixtrans-62.4-41.1174-73.6176-163.700112.1K89 L90 K97K89-E93 WeakPolarHBondContact CE-OE1 3.38Å; K89-E93 WeakPolarHBondContact O-CG 3.35Å; K89-E93 PolarHBondContact O-N 3.19Å; L90-E93 PolarHBondContact O-N 2.92Å; E93-K97 VanDerWaalsContact O-CG 3.29Å; E93-K97 WeakPolarHBondContact O-CG 3.45Å; E93-K97 PolarHBondContact O-N 3.46Å
94Q94.3Very high90.9Very high117 Ų117105.2 Ų105.255%0.54750%0.499SS..Hα-helixtrans-69.3-45.5178-176.2162.1-18.300111.9L90 R91 N92 N96 K97 E98L90-Q94 WeakPolarHBondContact O-CB 3.23Å; L90-Q94 PolarHBondContact O-N 3.14Å; R91-Q94 PolarHBondContact O-N 3.28Å; N92-Q94 VanDerWaalsContact C-N 3.35Å; N92-Q94 PolarHBondContact O-N 2.92Å; Q94-N96 VanDerWaalsContact C-N 3.28Å; Q94-N96 PolarHBondContact O-N 2.99Å; Q94-K97 WeakPolarHBondContact O-CB 3.43Å; Q94-K97 PolarHBondContact O-N 2.89Å; Q94-K97 VanDerWaalsContact O-N 3.16Å; Q94-E98 WeakPolarHBondContact CG-OE1 3.48Å; Q94-E98 PolarHBondContact NE2-OE1 2.93Å; Q94-E98 WeakPolarHBondContact O-CG 3.47Å; Q94-E98 PolarHBondContact O-N 3.34Å
95A94.4Very high90.2Very high50 Ų50108.8 Ų108.841%0.41352%0.518SS..Hα-helixtrans-60.5-38.8175.100000111.8R91 E98 Y99R91-A95 WeakPolarHBondContact O-CB 3.44Å; R91-A95 PolarHBondContact O-N 3.43Å; A95-E98 PolarHBondContact O-N 3.1Å; A95-Y99 WeakPolarHBondContact O-CB 3.45Å; A95-Y99 PolarHBondContact O-N 2.92Å
96N94.1Very high89.3Confident95 Ų95111 Ų11151%0.50853%0.526SS..Hα-helixtrans-64.6-42.5175-17444.1000111.8N92 Q94 E98 Y99 M100N92-N96 VanDerWaalsContact O-CB 3.29Å; N92-N96 WeakPolarHBondContact O-CB 3.42Å; N92-N96 PolarHBondContact O-N 3.21Å; Q94-N96 VanDerWaalsContact C-N 3.28Å; Q94-N96 PolarHBondContact O-N 2.99Å; N96-E98 VanDerWaalsContact C-N 3.35Å; N96-E98 PolarHBondContact O-N 3.49Å; N96-Y99 PolarHBondContact O-N 3.25Å; N96-M100 WeakPolarHBondContact O-CB 3.22Å; N96-M100 VanDerWaalsContact O-CG 3.22Å; N96-M100 WeakPolarHBondContact O-CG 3.44Å; N96-M100 PolarHBondContact O-N 2.92Å
97K91.4Very high87.5Confident141 Ų141107.6 Ų107.661%0.61352%0.519SS*.Hα-helixtrans-60.7-44.1174.7-73.3169.4-175.9172.90111.7E93 Q94 M100 Q101E93-K97 VanDerWaalsContact O-CG 3.29Å; E93-K97 WeakPolarHBondContact O-CG 3.45Å; E93-K97 PolarHBondContact O-N 3.46Å; Q94-K97 WeakPolarHBondContact O-CB 3.43Å; Q94-K97 PolarHBondContact O-N 2.89Å; Q94-K97 VanDerWaalsContact O-N 3.16Å; K97-M100 PolarHBondContact O-N 3.44Å; K97-Q101 WeakPolarHBondContact O-CB 3.29Å; K97-Q101 PolarHBondContact O-N 3.26Å
98E90Very high85.8Confident91 Ų91107.5 Ų107.543%0.42553%0.531SS..Hα-helixtrans-64.8-41.7176.8-72171.7-166.600111.6Q94 A95 N96 Q101 M102Q94-E98 WeakPolarHBondContact CG-OE1 3.48Å; Q94-E98 PolarHBondContact NE2-OE1 2.93Å; Q94-E98 WeakPolarHBondContact O-CG 3.47Å; Q94-E98 PolarHBondContact O-N 3.34Å; A95-E98 PolarHBondContact O-N 3.1Å; N96-E98 VanDerWaalsContact C-N 3.35Å; N96-E98 PolarHBondContact O-N 3.49Å; E98-Q101 WeakPolarHBondContact O-CB 3.47Å; E98-Q101 PolarHBondContact O-N 2.89Å; E98-M102 HydrophobicContact CB-CE 4.19Å; E98-M102 WeakPolarHBondContact O-CG 3.44Å; E98-M102 PolarHBondContact O-N 3.36Å
99Y89.6Confident84Confident134 Ų134105.5 Ų105.553%0.52554%0.54SS..Hα-helixtrans-62.5-45.8175178.3-97.8000112.3A95 N96 Q101 M102 T103A95-Y99 WeakPolarHBondContact O-CB 3.45Å; A95-Y99 PolarHBondContact O-N 2.92Å; N96-Y99 PolarHBondContact O-N 3.25Å; Y99-Q101 PolarHBondContact O-N 3.17Å; Y99-M102 PolarHBondContact O-N 3.16Å; Y99-T103 HydrophobicContact CD1-CG2 4.4Å; Y99-T103 HydrophobicContact CD2-CG2 4.24Å; Y99-T103 HydrophobicContact CE1-CG2 3.9Å; Y99-T103 HydrophobicContact CE2-CG2 3.74Å; Y99-T103 PolarHBondContact O-N 3.03Å; Y99-T103 PolarHBondContact O-OG1 3.06Å
100M86.7Confident81.8Confident100 Ų100103 Ų10349%0.49354%0.538SS..Hα-helixtrans-61.3-34.4174.5-70-71.8102.600111.8N96 K97 R104N96-M100 WeakPolarHBondContact O-CB 3.22Å; N96-M100 VanDerWaalsContact O-CG 3.22Å; N96-M100 WeakPolarHBondContact O-CG 3.44Å; N96-M100 PolarHBondContact O-N 2.92Å; K97-M100 PolarHBondContact O-N 3.44Å; M100-R104 WeakPolarHBondContact O-CB 3.36Å; M100-R104 PolarHBondContact O-N 2.95Å; M100-R104 VanDerWaalsContact O-N 3.1Å
101Q85.9Confident79.5Confident149 Ų149104.2 Ų104.270%0.69655%0.545SS*.Hα-helixtrans-69.4-41.9174.8-175.4176.3-4.300112.1K97 E98 Y99 R104K97-Q101 WeakPolarHBondContact O-CB 3.29Å; K97-Q101 PolarHBondContact O-N 3.26Å; E98-Q101 WeakPolarHBondContact O-CB 3.47Å; E98-Q101 PolarHBondContact O-N 2.89Å; Y99-Q101 PolarHBondContact O-N 3.17Å; Q101-R104 WeakPolarHBondContact O-CB 3.11Å
102M83.9Confident77.2Confident133 Ų133101.7 Ų101.766%0.65555%0.553SS**Hα-helixtrans-67.1-40177.3-74-175.2-96.400112.3E98 Y99 R104E98-M102 HydrophobicContact CB-CE 4.19Å; E98-M102 WeakPolarHBondContact O-CG 3.44Å; E98-M102 PolarHBondContact O-N 3.36Å; Y99-M102 PolarHBondContact O-N 3.16Å; M102-R104 VanDerWaalsContact C-N 3.33Å
103T83.5Confident74.9Confident25 Ų25101.5 Ų101.515%0.15356%0.558CS.*Hα-helixtrans-83.9-7.3-178.252.10000113.9Y99 N105 V106Y99-T103 HydrophobicContact CD1-CG2 4.4Å; Y99-T103 HydrophobicContact CD2-CG2 4.24Å; Y99-T103 HydrophobicContact CE1-CG2 3.9Å; Y99-T103 HydrophobicContact CE2-CG2 3.74Å; Y99-T103 PolarHBondContact O-N 3.03Å; Y99-T103 PolarHBondContact O-OG1 3.06Å; T103-N105 PolarHBondContact O-N 3.38Å; T103-V106 HydrophobicContact CG2-CG2 4.13Å; T103-V106 WeakPolarHBondContact O-CG2 3.33Å; T103-V106 PolarHBondContact O-N 3.33Å; T103-V106 VanDerWaalsContact O-N 3.13Å
104R73.7Confident72.5Confident122 Ų122104.4 Ų104.446%0.4658%0.576SS.*THydrogen-bonded Turntrans-54.2-30-179.5-169.9175.8-176.9173.64.4114.1M100 Q101 M102 S120M100-R104 WeakPolarHBondContact O-CB 3.36Å; M100-R104 PolarHBondContact O-N 2.95Å; M100-R104 VanDerWaalsContact O-N 3.1Å; Q101-R104 WeakPolarHBondContact O-CB 3.11Å; M102-R104 VanDerWaalsContact C-N 3.33Å; R104-S120 PolarHBondContact NH1-OG 2.91Å; R104-S120 VanDerWaalsContact NH1-OG 3.08Å; R104-S120 PolarHBondContact NH2-OG 3.31Å; R104-S120 VanDerWaalsContact NH2-OG 3.17Å
105N74.3Confident70.3Confident149 Ų149102.3 Ų102.380%0.79759%0.587SS**THydrogen-bonded Turntrans-108.1-4.2-176.8-159.145.8000114T103T103-N105 PolarHBondContact O-N 3.38Å
106V74.4Confident68.1Low103 Ų103105.4 Ų105.462%0.62460%0.6SS**THydrogen-bonded Turntrans-92.2-28.1-179.4-52.60000112T103 A108T103-V106 HydrophobicContact CG2-CG2 4.13Å; T103-V106 WeakPolarHBondContact O-CG2 3.33Å; T103-V106 PolarHBondContact O-N 3.33Å; T103-V106 VanDerWaalsContact O-N 3.13Å; V106-A108 PolarHBondContact O-N 2.85Å
107D56.1Low65.9Low91 Ų91108.3 Ų108.349%0.48761%0.609SS.*  trans-78.873.3171.2-82-29.3000111.1G109 C110D107-G109 PolarHBondContact O-N 3.4Å; D107-C110 WeakPolarHBondContact CB-SG 3.43Å
108A58.1Low63.9Low82 Ų82103.2 Ų103.268%0.67859%0.591SS**THydrogen-bonded Turntrans-59.6-21.3161.300000111.6V106V106-A108 PolarHBondContact O-N 2.85Å
109G56Low61.8Low70 Ų70105 Ų10572%0.72260%0.602SS**THydrogen-bonded Turntrans-78.7-30.7-176.700000115.8D107D107-G109 PolarHBondContact O-N 3.4Å
110C48.7Very low60Low78 Ų78101.5 Ų101.553%0.52760%0.598SS.*THydrogen-bonded Turntrans-96.8-11.6176.575.10000113.1D107 S112 S113D107-C110 WeakPolarHBondContact CB-SG 3.43Å; C110-S112 PolarHBondContact O-N 3.27Å; C110-S112 VanDerWaalsContact O-N 3.14Å; C110-S113 PolarHBondContact O-N 3.17Å
111L48.8Very low58.5Low126 Ų12698.4 Ų98.466%0.6659%0.586SS**THydrogen-bonded Turntrans-62.4-20.3176.3-154.769.9000113
112S47.5Very low56.8Low116 Ų11695.1 Ų95.181%0.81157%0.57SS**THydrogen-bonded Turntrans-87.4-3.8178.6-167.70000114.9C110C110-S112 PolarHBondContact O-N 3.27Å; C110-S112 VanDerWaalsContact O-N 3.14Å
113S46.5Very low55.3Low79 Ų7991.6 Ų91.655%0.55256%0.561SS**SBendtrans-136.9107.2-178.6-1680000111.7C110C110-S113 PolarHBondContact O-N 3.17Å
114N44.2Very low54Low141 Ų14199.8 Ų99.875%0.75459%0.59SS**SBendtrans70.985.8158-60.2-13.4000117.7T116N114-T116 PolarHBondContact O-N 3.08Å
115G48.5Very low53.4Low74 Ų7498.9 Ų98.976%0.76359%0.59SS**SBend76.86.9119.500000120
116T47.2Very low52.3Low114 Ų11497.5 Ų97.570%0.69958%0.575SS**  trans-99.5-3.9176.158.50000114.5N114 S118 L119N114-T116 PolarHBondContact O-N 3.08Å; T116-S118 PolarHBondContact O-N 3.08Å; T116-S118 VanDerWaalsContact O-N 3.08Å; T116-L119 PolarHBondContact O-N 3.08Å; T116-L119 VanDerWaalsContact O-N 3.08Å
117F49.4Very low51.8Low156 Ų15695.5 Ų95.568%0.68457%0.569SS**THydrogen-bonded Turntrans-58.4-22.7174.3-174.1-104.4000112.9S121F117-S121 PolarHBondContact O-OG 3.12Å; F117-S121 VanDerWaalsContact O-OG 3.12Å
118S49.8Very low52.2Low35 Ų3593.9 Ų93.925%0.24557%0.568CS.*THydrogen-bonded Turntrans-75.7-44.4174.2153.10000112.2T116 S120 S121 F122T116-S118 PolarHBondContact O-N 3.08Å; T116-S118 VanDerWaalsContact O-N 3.08Å; S118-S120 PolarHBondContact O-N 2.7Å; S118-S120 VanDerWaalsContact O-N 3.08Å; S118-S121 PolarHBondContact O-N 3.04Å; S118-S121 PolarHBondContact O-OG 3.44Å; S118-S121 VanDerWaalsContact O-OG 3.04Å; S118-F122 VanDerWaalsContact CB-CD2 3.42Å; S118-F122 WeakPolarHBondContact O-CA 3.06Å; S118-F122 WeakPolarHBondContact O-CB 2.84Å; S118-F122 WeakPolarHBondContact O-CD2 3.28Å; S118-F122 WeakPolarHBondContact O-CG 2.9Å; S118-F122 PolarHBondContact O-N 3.08Å; S118-F122 VanDerWaalsContact OG-CD1 3.28Å; S118-F122 WeakPolarHBondContact OG-CD1 3.36Å; S118-F122 WeakPolarHBondContact OG-CD2 3.09Å; S118-F122 VanDerWaalsContact OG-CE1 3.31Å; S118-F122 WeakPolarHBondContact OG-CE1 3.19Å; S118-F122 WeakPolarHBondContact OG-CE2 3.19Å; S118-F122 WeakPolarHBondContact OG-CG 3.31Å; S118-F122 WeakPolarHBondContact OG-CZ 2.98Å
119L45.7Very low52.7Low127 Ų12793.5 Ų93.567%0.66555%0.553SS**Hα-helixtrans-65.9-29.6-157.3-131.678.3000117T116 A123T116-L119 PolarHBondContact O-N 3.08Å; T116-L119 VanDerWaalsContact O-N 3.08Å; L119-A123 WeakPolarHBondContact O-CA 3.5Å; L119-A123 WeakPolarHBondContact O-CB 2.89Å; L119-A123 PolarHBondContact O-N 3.26Å
120S51.4Low53.8Low61 Ų6194.5 Ų94.543%0.42754%0.542SS..Hα-helixtrans-92.7-33.8-177.965.70000113.9R104 S118 F122 R124R104-S120 PolarHBondContact NH1-OG 2.91Å; R104-S120 VanDerWaalsContact NH1-OG 3.08Å; R104-S120 PolarHBondContact NH2-OG 3.31Å; R104-S120 VanDerWaalsContact NH2-OG 3.17Å; S118-S120 PolarHBondContact O-N 2.7Å; S118-S120 VanDerWaalsContact O-N 3.08Å; S120-F122 VanDerWaalsContact C-N 3.3Å; S120-R124 PolarHBondContact O-N 3.3Å
121S54.6Low55.2Low35 Ų35100 Ų10025%0.24555%0.552CS.*Hα-helixtrans-64.7-42.8162.640.40000109F117 S118 R124 E125F117-S121 PolarHBondContact O-OG 3.12Å; F117-S121 VanDerWaalsContact O-OG 3.12Å; S118-S121 PolarHBondContact O-N 3.04Å; S118-S121 PolarHBondContact O-OG 3.44Å; S118-S121 VanDerWaalsContact O-OG 3.04Å; S121-R124 CarbonylContact O-C 3.36Å; S121-R124 PolarHBondContact O-N 3.34Å; S121-E125 WeakPolarHBondContact O-CB 3.17Å; S121-E125 PolarHBondContact O-N 3.06Å
122F50.1Low56.9Low81 Ų8199 Ų9936%0.35554%0.544SS..Hα-helixtrans-64.9-40.5174.9-79.1-125.9000111.2S118 S120 R124 E125 Y126S118-F122 VanDerWaalsContact CB-CD2 3.42Å; S118-F122 WeakPolarHBondContact O-CA 3.06Å; S118-F122 WeakPolarHBondContact O-CB 2.84Å; S118-F122 WeakPolarHBondContact O-CD2 3.28Å; S118-F122 WeakPolarHBondContact O-CG 2.9Å; S118-F122 PolarHBondContact O-N 3.08Å; S118-F122 VanDerWaalsContact OG-CD1 3.28Å; S118-F122 WeakPolarHBondContact OG-CD1 3.36Å; S118-F122 WeakPolarHBondContact OG-CD2 3.09Å; S118-F122 VanDerWaalsContact OG-CE1 3.31Å; S118-F122 WeakPolarHBondContact OG-CE1 3.19Å; S118-F122 WeakPolarHBondContact OG-CE2 3.19Å; S118-F122 WeakPolarHBondContact OG-CG 3.31Å; S118-F122 WeakPolarHBondContact OG-CZ 2.98Å; S120-F122 VanDerWaalsContact C-N 3.3Å; F122-R124 VanDerWaalsContact C-N 3.27Å; F122-R124 PolarHBondContact O-N 2.73Å; F122-E125 CarbonylContact O-C 3.58Å; F122-E125 PolarHBondContact O-N 3.38Å; F122-Y126 VanDerWaalsContact C-CD2 3.42Å; F122-Y126 HydrophobicContact CB-CD2 3.8Å; F122-Y126 HydrophobicContact CB-CE2 3.66Å; F122-Y126 AromaticContact CD1-CE2 3.81Å; F122-Y126 HydrophobicContact CD1-CE2 3.81Å; F122-Y126 HydrophobicContact CG-CE2 4.26Å; F122-Y126 WeakPolarHBondContact O-CA 3.12Å; F122-Y126 WeakPolarHBondContact O-CB 3.42Å; F122-Y126 WeakPolarHBondContact O-CD2 3.46Å; F122-Y126 VanDerWaalsContact O-CG 3.25Å; F122-Y126 PolarHBondContact O-N 3.11Å
123A52.7Low58.7Low58 Ų5898.1 Ų98.148%0.47953%0.53SS..Hα-helixtrans-62.9-37.8177.700000111.7L119 A127L119-A123 WeakPolarHBondContact O-CA 3.5Å; L119-A123 WeakPolarHBondContact O-CB 2.89Å; L119-A123 PolarHBondContact O-N 3.26Å; A123-A127 WeakPolarHBondContact O-CB 3.44Å; A123-A127 PolarHBondContact O-N 3Å
124R55.5Low60.6Low198 Ų19899.1 Ų99.175%0.74753%0.532SS*.Hα-helixtrans-72.1-36.8173.7-170170.563.3177.91.9111.9S120 S121 F122 A127 A128S120-R124 PolarHBondContact O-N 3.3Å; S121-R124 CarbonylContact O-C 3.36Å; S121-R124 PolarHBondContact O-N 3.34Å; F122-R124 VanDerWaalsContact C-N 3.27Å; F122-R124 PolarHBondContact O-N 2.73Å; R124-A127 PolarHBondContact O-N 2.74Å; R124-A128 PolarHBondContact O-N 3.17Å
125E60.9Low62.7Low102 Ų10294.9 Ų94.948%0.47751%0.509SS..Hα-helixtrans-67.8-52.1174.7-164.3171.5178.500110S121 F122 A127 A128 M129S121-E125 WeakPolarHBondContact O-CB 3.17Å; S121-E125 PolarHBondContact O-N 3.06Å; F122-E125 CarbonylContact O-C 3.58Å; F122-E125 PolarHBondContact O-N 3.38Å; E125-A127 VanDerWaalsContact C-N 3.28Å; E125-A127 PolarHBondContact O-N 2.59Å; E125-A128 CarbonylContact O-C 3.57Å; E125-A128 WeakPolarHBondContact O-CA 2.92Å; E125-A128 WeakPolarHBondContact O-CB 3.11Å; E125-A128 PolarHBondContact O-N 2.87Å; E125-M129 HydrophobicContact CG-CG 4.26Å; E125-M129 HydrophobicContact CG-SD 3.97Å; E125-M129 VanDerWaalsContact O-CB 3.31Å; E125-M129 WeakPolarHBondContact O-CB 3.38Å; E125-M129 WeakPolarHBondContact O-CG 3.33Å; E125-M129 PolarHBondContact O-N 2.68Å
126Y53Low64.7Low120 Ų12095.6 Ų95.647%0.47149%0.494SS..Hα-helixtrans-48.6-42.4165.3-76.6-60.3000112.3F122 M129 N130F122-Y126 VanDerWaalsContact C-CD2 3.42Å; F122-Y126 HydrophobicContact CB-CD2 3.8Å; F122-Y126 HydrophobicContact CB-CE2 3.66Å; F122-Y126 AromaticContact CD1-CE2 3.81Å; F122-Y126 HydrophobicContact CD1-CE2 3.81Å; F122-Y126 HydrophobicContact CG-CE2 4.26Å; F122-Y126 WeakPolarHBondContact O-CA 3.12Å; F122-Y126 WeakPolarHBondContact O-CB 3.42Å; F122-Y126 WeakPolarHBondContact O-CD2 3.46Å; F122-Y126 VanDerWaalsContact O-CG 3.25Å; F122-Y126 PolarHBondContact O-N 3.11Å; Y126-M129 HydrophobicContact CD1-SD 4.42Å; Y126-M129 PolarHBondContact O-N 3.43Å; Y126-N130 WeakPolarHBondContact O-CA 3.17Å; Y126-N130 WeakPolarHBondContact O-CB 3.31Å; Y126-N130 PolarHBondContact O-N 3.49Å; Y126-N130 PolarHBondContact O-ND2 2.66Å; Y126-N130 PolarHBondContact O-OD1 3.28Å; Y126-N130 VanDerWaalsContact O-OD1 3.11Å
127A63.1Low66.8Low61 Ų6197.1 Ų97.150%0.50449%0.491SS..Hα-helixtrans-65.1-41.417600000111.9A123 R124 E125 R131A123-A127 WeakPolarHBondContact O-CB 3.44Å; A123-A127 PolarHBondContact O-N 3Å; R124-A127 PolarHBondContact O-N 2.74Å; E125-A127 VanDerWaalsContact C-N 3.28Å; E125-A127 PolarHBondContact O-N 2.59Å; A127-R131 PolarHBondContact O-N 3.46Å
128A64.2Low68.9Low57 Ų5794 Ų9447%0.47148%0.482SS..Hα-helixtrans-69.7-43174.300000112.4R124 E125 N130 R131 Q132R124-A128 PolarHBondContact O-N 3.17Å; E125-A128 CarbonylContact O-C 3.57Å; E125-A128 WeakPolarHBondContact O-CA 2.92Å; E125-A128 WeakPolarHBondContact O-CB 3.11Å; E125-A128 PolarHBondContact O-N 2.87Å; A128-N130 VanDerWaalsContact C-N 3.31Å; A128-N130 PolarHBondContact O-N 3.42Å; A128-R131 WeakPolarHBondContact O-CB 3.3Å; A128-R131 PolarHBondContact O-N 3.15Å; A128-Q132 PolarHBondContact O-N 2.73Å; A128-Q132 VanDerWaalsContact O-N 3.15Å
129M69.4Low70.9Confident74 Ų7493.1 Ų93.137%0.36548%0.475SS..Hα-helixtrans-62.1-37.4174.1-69.4174.17800110.6E125 Y126 R131 Q132 L133E125-M129 HydrophobicContact CG-CG 4.26Å; E125-M129 HydrophobicContact CG-SD 3.97Å; E125-M129 VanDerWaalsContact O-CB 3.31Å; E125-M129 WeakPolarHBondContact O-CB 3.38Å; E125-M129 WeakPolarHBondContact O-CG 3.33Å; E125-M129 PolarHBondContact O-N 2.68Å; Y126-M129 HydrophobicContact CD1-SD 4.42Å; Y126-M129 PolarHBondContact O-N 3.43Å; M129-R131 VanDerWaalsContact C-N 3.28Å; M129-R131 PolarHBondContact O-N 3.14Å; M129-Q132 CarbonylContact O-C 3.47Å; M129-Q132 PolarHBondContact O-N 3.38Å; M129-Q132 VanDerWaalsContact O-N 3.14Å; M129-L133 VanDerWaalsContact O-CB 3.3Å; M129-L133 WeakPolarHBondContact O-CB 3.24Å; M129-L133 VanDerWaalsContact O-CG 3.24Å; M129-L133 WeakPolarHBondContact O-CG 3.3Å; M129-L133 PolarHBondContact O-N 3.22Å
130N79.1Confident73.2Confident91 Ų9191.6 Ų91.649%0.48747%0.471SS..Hα-helixtrans-60.4-43177-79.8-6000109.7Y126 A128 L133 V134Y126-N130 WeakPolarHBondContact O-CA 3.17Å; Y126-N130 WeakPolarHBondContact O-CB 3.31Å; Y126-N130 PolarHBondContact O-N 3.49Å; Y126-N130 PolarHBondContact O-ND2 2.66Å; Y126-N130 PolarHBondContact O-OD1 3.28Å; Y126-N130 VanDerWaalsContact O-OD1 3.11Å; A128-N130 VanDerWaalsContact C-N 3.31Å; A128-N130 PolarHBondContact O-N 3.42Å; N130-L133 PolarHBondContact O-N 3.5Å; N130-V134 VanDerWaalsContact O-CB 3.3Å; N130-V134 WeakPolarHBondContact O-CB 3.49Å; N130-V134 WeakPolarHBondContact O-CG2 3.12Å; N130-V134 PolarHBondContact O-N 2.89Å
131R78.1Confident75.4Confident194 Ų19492.8 Ų92.873%0.73247%0.472SS*.Hα-helixtrans-63.5-43.1175.2-176.2179.3174.3-171.7-3111.8A127 A128 M129 M135A127-R131 PolarHBondContact O-N 3.46Å; A128-R131 WeakPolarHBondContact O-CB 3.3Å; A128-R131 PolarHBondContact O-N 3.15Å; M129-R131 VanDerWaalsContact C-N 3.28Å; M129-R131 PolarHBondContact O-N 3.14Å; R131-M135 PolarHBondContact O-N 2.94Å
132Q83.1Confident77.3Confident104 Ų10493.5 Ų93.549%0.48648%0.475SS..Hα-helixtrans-65.9-44.1178-69.1177.1-9.800112.1A128 M129 V134 M135 L136A128-Q132 PolarHBondContact O-N 2.73Å; A128-Q132 VanDerWaalsContact O-N 3.15Å; M129-Q132 CarbonylContact O-C 3.47Å; M129-Q132 PolarHBondContact O-N 3.38Å; M129-Q132 VanDerWaalsContact O-N 3.14Å; Q132-V134 PolarHBondContact O-N 3.14Å; Q132-M135 WeakPolarHBondContact O-CB 3.35Å; Q132-M135 PolarHBondContact O-N 3.5Å; Q132-M135 VanDerWaalsContact O-N 3.14Å; Q132-L136 WeakPolarHBondContact O-CG 3.44Å; Q132-L136 PolarHBondContact O-N 3.03Å
133L85.6Confident79.5Confident99 Ų9991 Ų9152%0.51847%0.466SS..Hα-helixtrans-62.8-42.4176.3-72.6174.6000111.5M129 N130 M135 L136 F137M129-L133 VanDerWaalsContact O-CB 3.3Å; M129-L133 WeakPolarHBondContact O-CB 3.24Å; M129-L133 VanDerWaalsContact O-CG 3.24Å; M129-L133 WeakPolarHBondContact O-CG 3.3Å; M129-L133 PolarHBondContact O-N 3.22Å; N130-L133 PolarHBondContact O-N 3.5Å; L133-M135 VanDerWaalsContact C-N 3.27Å; L133-M135 PolarHBondContact O-N 3.33Å; L133-L136 PolarHBondContact O-N 3.42Å; L133-F137 WeakPolarHBondContact O-CB 3.4Å; L133-F137 PolarHBondContact O-N 2.97Å
134V87.2Confident81.6Confident99 Ų9991.4 Ų91.460%0.646%0.463SS*.Hα-helixtrans-60.8-39173.8168.40000110.9N130 Q132 N138N130-V134 VanDerWaalsContact O-CB 3.3Å; N130-V134 WeakPolarHBondContact O-CB 3.49Å; N130-V134 WeakPolarHBondContact O-CG2 3.12Å; N130-V134 PolarHBondContact O-N 2.89Å; Q132-V134 PolarHBondContact O-N 3.14Å; V134-N138 WeakPolarHBondContact O-CB 3.34Å; V134-N138 PolarHBondContact O-N 2.89Å
135M87.3Confident83.6Confident53 Ų5385 Ų8526%0.26145%0.447SS..Hα-helixtrans-64.6-48.5175.8-173.7-173.2-64.100111.8R131 Q132 L133 F137 N138 T139 I186R131-M135 PolarHBondContact O-N 2.94Å; Q132-M135 WeakPolarHBondContact O-CB 3.35Å; Q132-M135 PolarHBondContact O-N 3.5Å; Q132-M135 VanDerWaalsContact O-N 3.14Å; L133-M135 VanDerWaalsContact C-N 3.27Å; L133-M135 PolarHBondContact O-N 3.33Å; M135-F137 VanDerWaalsContact C-N 3.32Å; M135-F137 PolarHBondContact O-N 3.01Å; M135-N138 WeakPolarHBondContact O-CB 3.44Å; M135-N138 PolarHBondContact O-N 3.46Å; M135-T139 PolarHBondContact O-N 3.26Å; M135-T139 PolarHBondContact O-OG1 3Å; M135-I186 HydrophobicContact CG-CG1 4.34Å; M135-I186 HydrophobicContact SD-CG1 3.85Å
136L90.8Very high85.3Confident88 Ų8881.6 Ų81.646%0.46143%0.434SS..Hα-helixtrans-60.3-42.6177.3-67.7175.9000111.8Q132 L133 N138 T139 V140 I186Q132-L136 WeakPolarHBondContact O-CG 3.44Å; Q132-L136 PolarHBondContact O-N 3.03Å; L133-L136 PolarHBondContact O-N 3.42Å; L136-N138 VanDerWaalsContact C-N 3.34Å; L136-N138 PolarHBondContact O-N 3.49Å; L136-T139 WeakPolarHBondContact O-CB 3.38Å; L136-T139 PolarHBondContact O-N 3.32Å; L136-V140 WeakPolarHBondContact O-CG2 3.5Å; L136-V140 PolarHBondContact O-N 3.31Å; L136-I186 HydrophobicContact CD2-CD1 4.13Å
137F91.8Very high87.3Confident146 Ų14678.6 Ų78.664%0.6442%0.423SS*.Hα-helixtrans-61.3-43.3176.1-178.2-98.8000111.7L133 M135 T139 V140 L141L133-F137 WeakPolarHBondContact O-CB 3.4Å; L133-F137 PolarHBondContact O-N 2.97Å; M135-F137 VanDerWaalsContact C-N 3.32Å; M135-F137 PolarHBondContact O-N 3.01Å; F137-T139 VanDerWaalsContact C-N 3.33Å; F137-T139 PolarHBondContact O-N 2.91Å; F137-V140 PolarHBondContact O-N 3.24Å; F137-L141 WeakPolarHBondContact O-CB 3.47Å; F137-L141 PolarHBondContact O-N 2.97Å
138N92.6Very high88.9Confident91 Ų9180.4 Ų80.449%0.48742%0.42SS..Hα-helixtrans-61.8-40175.2-173.811000111.9V134 M135 L136 L141 T142V134-N138 WeakPolarHBondContact O-CB 3.34Å; V134-N138 PolarHBondContact O-N 2.89Å; M135-N138 WeakPolarHBondContact O-CB 3.44Å; M135-N138 PolarHBondContact O-N 3.46Å; L136-N138 VanDerWaalsContact C-N 3.34Å; L136-N138 PolarHBondContact O-N 3.49Å; N138-L141 PolarHBondContact O-N 3.19Å; N138-T142 VanDerWaalsContact O-CB 3.31Å; N138-T142 WeakPolarHBondContact O-CB 3.45Å; N138-T142 PolarHBondContact O-N 3.42Å; N138-T142 PolarHBondContact O-OG1 2.96Å; N138-T142 PolarHBondContact OD1-OG1 3Å
139T92.9Very high90.3Very high17 Ų1782.6 Ų82.610%0.10443%0.427CS..Hα-helixtrans-62.9-47.2175.8-64.20000111.8M135 L136 F137 L141 T142 V143 D182 I186M135-T139 PolarHBondContact O-N 3.26Å; M135-T139 PolarHBondContact O-OG1 3Å; L136-T139 WeakPolarHBondContact O-CB 3.38Å; L136-T139 PolarHBondContact O-N 3.32Å; F137-T139 VanDerWaalsContact C-N 3.33Å; F137-T139 PolarHBondContact O-N 2.91Å; T139-L141 VanDerWaalsContact C-N 3.32Å; T139-L141 PolarHBondContact O-N 3.35Å; T139-T142 PolarHBondContact O-N 2.92Å; T139-V143 WeakPolarHBondContact O-CG2 3.45Å; T139-V143 PolarHBondContact O-N 3.43Å; T139-D182 HydrophobicContact CG2-CB 3.62Å; T139-I186 HydrophobicContact CG2-CD1 4.19Å; T139-I186 WeakPolarHBondContact OG1-CD1 3.42Å
140V94.6Very high91.5Very high95 Ų9581 Ų8158%0.57642%0.421SS*.Hα-helixtrans-60.4-45.2176.3173.90000110.7L136 F137 T142 V143 V144L136-V140 WeakPolarHBondContact O-CG2 3.5Å; L136-V140 PolarHBondContact O-N 3.31Å; F137-V140 PolarHBondContact O-N 3.24Å; V140-T142 VanDerWaalsContact C-N 3.32Å; V140-T142 PolarHBondContact O-N 3.18Å; V140-V143 PolarHBondContact O-N 3.28Å; V140-V144 HydrophobicContact CG1-CG2 4.43Å; V140-V144 WeakPolarHBondContact O-CB 3.35Å; V140-V144 VanDerWaalsContact O-CG2 3.25Å; V140-V144 WeakPolarHBondContact O-CG2 3.44Å; V140-V144 PolarHBondContact O-N 3.47Å
141L96.3Very high92.1Very high86 Ų8679 Ų7945%0.4541%0.407SS..Hα-helixtrans-59.4-44.6177.2-175.865.1000111.2F137 N138 T139 V144 C145F137-L141 WeakPolarHBondContact O-CB 3.47Å; F137-L141 PolarHBondContact O-N 2.97Å; N138-L141 PolarHBondContact O-N 3.19Å; T139-L141 VanDerWaalsContact C-N 3.32Å; T139-L141 PolarHBondContact O-N 3.35Å; L141-V144 PolarHBondContact O-N 2.96Å; L141-C145 WeakPolarHBondContact O-CB 3.46Å; L141-C145 PolarHBondContact O-N 3.3Å; L141-C145 PolarHBondContact O-SG 3.48Å
142T94.9Very high92.7Very high49 Ų4975.4 Ų75.430%0.30140%0.397SS..Hα-helixtrans-62.6-47.1179.9-61.30000111.2N138 T139 V140 V144 C145 T146 V178N138-T142 VanDerWaalsContact O-CB 3.31Å; N138-T142 WeakPolarHBondContact O-CB 3.45Å; N138-T142 PolarHBondContact O-N 3.42Å; N138-T142 PolarHBondContact O-OG1 2.96Å; N138-T142 PolarHBondContact OD1-OG1 3Å; T139-T142 PolarHBondContact O-N 2.92Å; V140-T142 VanDerWaalsContact C-N 3.32Å; V140-T142 PolarHBondContact O-N 3.18Å; T142-V144 VanDerWaalsContact C-N 3.34Å; T142-V144 PolarHBondContact O-N 3.43Å; T142-C145 PolarHBondContact O-N 3.34Å; T142-T146 PolarHBondContact O-N 2.81Å; T142-T146 PolarHBondContact O-OG1 3.01Å; T142-T146 VanDerWaalsContact O-OG1 3.04Å; T142-V178 HydrophobicContact CG2-CG1 4.27Å
143V96.5Very high93.1Very high29 Ų2971.9 Ų71.918%0.17639%0.389CS..Hα-helixtrans-60.8-42.9177.3172.90000111.7T139 V140 T146 F147 A175 F179T139-V143 WeakPolarHBondContact O-CG2 3.45Å; T139-V143 PolarHBondContact O-N 3.43Å; V140-V143 PolarHBondContact O-N 3.28Å; V143-T146 PolarHBondContact O-N 3.1Å; V143-F147 WeakPolarHBondContact O-CB 3.38Å; V143-F147 PolarHBondContact O-N 2.94Å; V143-A175 HydrophobicContact CG1-CB 4.32Å; V143-F179 HydrophobicContact CG1-CB 4.49Å; V143-F179 HydrophobicContact CG2-CB 3.81Å; V143-F179 HydrophobicContact CG2-CD2 3.93Å; V143-F179 HydrophobicContact CG2-CG 4.36Å
144V96.9Very high93.2Very high66 Ų6669.3 Ų69.340%0.438%0.376SS..Hα-helixtrans-64.4-46176.4171.60000110.6V140 L141 T142 T146 F147 F148V140-V144 HydrophobicContact CG1-CG2 4.43Å; V140-V144 WeakPolarHBondContact O-CB 3.35Å; V140-V144 VanDerWaalsContact O-CG2 3.25Å; V140-V144 WeakPolarHBondContact O-CG2 3.44Å; V140-V144 PolarHBondContact O-N 3.47Å; L141-V144 PolarHBondContact O-N 2.96Å; T142-V144 VanDerWaalsContact C-N 3.34Å; T142-V144 PolarHBondContact O-N 3.43Å; V144-T146 PolarHBondContact O-N 3.36Å; V144-F147 WeakPolarHBondContact O-CB 3.35Å; V144-F147 PolarHBondContact O-N 3.23Å; V144-F148 HydrophobicContact CG1-CD2 3.62Å; V144-F148 HydrophobicContact CG1-CE2 3.5Å; V144-F148 WeakPolarHBondContact O-CD2 3.33Å; V144-F148 PolarHBondContact O-N 2.79Å
145C96.9Very high93.1Very high63 Ų6369.8 Ų69.843%0.42637%0.371SS..Hα-helixtrans-59.9-45.7175.4-73.70000111.8L141 T142 F147 F148 V149L141-C145 WeakPolarHBondContact O-CB 3.46Å; L141-C145 PolarHBondContact O-N 3.3Å; L141-C145 PolarHBondContact O-SG 3.48Å; T142-C145 PolarHBondContact O-N 3.34Å; C145-F147 VanDerWaalsContact C-N 3.33Å; C145-F147 PolarHBondContact O-N 3.42Å; C145-F148 PolarHBondContact O-N 3.36Å; C145-V149 WeakPolarHBondContact O-CB 3.31Å; C145-V149 VanDerWaalsContact O-CG2 3.22Å; C145-V149 WeakPolarHBondContact O-CG2 3.25Å; C145-V149 PolarHBondContact O-N 3.43Å
146T96.6Very high93Very high32 Ų3277.5 Ų77.520%0.19640%0.399CS..Hα-helixtrans-59-45.2176.2-60.50000111.2T142 V143 V144 F148 V149 V150 V178T142-T146 PolarHBondContact O-N 2.81Å; T142-T146 PolarHBondContact O-OG1 3.01Å; T142-T146 VanDerWaalsContact O-OG1 3.04Å; V143-T146 PolarHBondContact O-N 3.1Å; V144-T146 PolarHBondContact O-N 3.36Å; T146-F148 PolarHBondContact O-N 3.4Å; T146-V149 PolarHBondContact O-N 3.23Å; T146-V150 HydrophobicContact CG2-CG2 4.3Å; T146-V150 WeakPolarHBondContact O-CB 3.36Å; T146-V150 VanDerWaalsContact O-CG2 3.3Å; T146-V150 WeakPolarHBondContact O-CG2 3.29Å; T146-V150 PolarHBondContact O-N 3.08Å; T146-V178 HydrophobicContact CG2-CB 4.35Å; T146-V178 HydrophobicContact CG2-CG2 3.83Å
147F96.3Very high92.6Very high56 Ų5679.1 Ų79.125%0.24641%0.412CS..Hα-helixtrans-57.9-48.6176.2178.6-92000111.4V143 V144 C145 Y151 L168 S171 A175V143-F147 WeakPolarHBondContact O-CB 3.38Å; V143-F147 PolarHBondContact O-N 2.94Å; V144-F147 WeakPolarHBondContact O-CB 3.35Å; V144-F147 PolarHBondContact O-N 3.23Å; C145-F147 VanDerWaalsContact C-N 3.33Å; C145-F147 PolarHBondContact O-N 3.42Å; F147-Y151 WeakPolarHBondContact O-CB 3.49Å; F147-Y151 PolarHBondContact O-N 3.4Å; F147-L168 HydrophobicContact CZ-CD2 3.92Å; F147-S171 VanDerWaalsContact CA-OG 3.29Å; F147-S171 WeakPolarHBondContact CA-OG 3.46Å; F147-S171 WeakPolarHBondContact CD2-OG 3.3Å; F147-S171 WeakPolarHBondContact CE2-OG 3.29Å; F147-S171 WeakPolarHBondContact CG-OG 3.33Å; F147-S171 PolarHBondContact O-OG 3.47Å; F147-A175 HydrophobicContact CB-CB 4.12Å; F147-A175 HydrophobicContact CD2-CB 4.44Å
148F95.6Very high91.4Very high99 Ų9973.2 Ų73.243%0.43439%0.39SS..Hα-helixtrans-67.4-41.2179.2-79.2-65.7000113.2V144 C145 T146 Y151 F152V144-F148 HydrophobicContact CG1-CD2 3.62Å; V144-F148 HydrophobicContact CG1-CE2 3.5Å; V144-F148 WeakPolarHBondContact O-CD2 3.33Å; V144-F148 PolarHBondContact O-N 2.79Å; C145-F148 PolarHBondContact O-N 3.36Å; T146-F148 PolarHBondContact O-N 3.4Å; F148-Y151 PolarHBondContact O-N 3.02Å; F148-F152 HydrophobicContact CB-CD2 4.34Å; F148-F152 HydrophobicContact CD1-CD2 4.2Å; F148-F152 AromaticContact CD1-CE2 3.7Å; F148-F152 HydrophobicContact CD1-CE2 3.7Å; F148-F152 HydrophobicContact CE1-CE2 4.4Å; F148-F152 WeakPolarHBondContact O-CB 3.22Å; F148-F152 WeakPolarHBondContact O-CD2 3.18Å; F148-F152 PolarHBondContact O-N 3.01Å
149V94.6Very high90.3Very high104 Ų10475.4 Ų75.463%0.6340%0.402SS*.Hα-helixtrans-64.3-42.9178.81690000110.9C145 T146 G153C145-V149 WeakPolarHBondContact O-CB 3.31Å; C145-V149 VanDerWaalsContact O-CG2 3.22Å; C145-V149 WeakPolarHBondContact O-CG2 3.25Å; C145-V149 PolarHBondContact O-N 3.43Å; T146-V149 PolarHBondContact O-N 3.23Å; V149-G153 WeakPolarHBondContact O-CA 3.39Å; V149-G153 PolarHBondContact O-N 2.83Å
150V93.3Very high88.8Confident39 Ų3981.9 Ų81.924%0.23644%0.435CS..Hα-helixtrans-71.4-40176.6178.10000110.6T146 L154 A174T146-V150 HydrophobicContact CG2-CG2 4.3Å; T146-V150 WeakPolarHBondContact O-CB 3.36Å; T146-V150 VanDerWaalsContact O-CG2 3.3Å; T146-V150 WeakPolarHBondContact O-CG2 3.29Å; T146-V150 PolarHBondContact O-N 3.08Å; V150-L154 HydrophobicContact CG1-CD1 3.81Å; V150-L154 HydrophobicContact CG1-CG 4.24Å; V150-L154 VanDerWaalsContact O-CB 3.29Å; V150-L154 WeakPolarHBondContact O-CB 3.48Å; V150-L154 WeakPolarHBondContact O-CD1 3.49Å; V150-L154 WeakPolarHBondContact O-CG 3.38Å; V150-L154 PolarHBondContact O-N 3.17Å; V150-A174 HydrophobicContact CG1-CB 4.27Å; V150-A174 HydrophobicContact CG2-CB 3.93Å
151Y92.4Very high87.2Confident50 Ų5078.8 Ų78.820%0.19642%0.419CS..Hα-helixtrans-60.8-62.7176.3-174-101.7000110.4F147 F148 G153 L154 E155 R167 L168F147-Y151 WeakPolarHBondContact O-CB 3.49Å; F147-Y151 PolarHBondContact O-N 3.4Å; F148-Y151 PolarHBondContact O-N 3.02Å; Y151-G153 VanDerWaalsContact C-N 3.33Å; Y151-G153 PolarHBondContact O-N 2.89Å; Y151-L154 PolarHBondContact O-N 3.37Å; Y151-E155 PolarHBondContact O-N 2.9Å; Y151-R167 HydrophobicContact CD2-CB 4.44Å; Y151-R167 HydrophobicContact CD2-CG 3.55Å; Y151-R167 VanDerWaalsContact CD2-NE 3.3Å; Y151-R167 HydrophobicContact CE2-CB 4.31Å; Y151-R167 VanDerWaalsContact CE2-CD 3.42Å; Y151-R167 HydrophobicContact CE2-CG 3.7Å; Y151-R167 VanDerWaalsContact CE2-NE 3.29Å; Y151-R167 HydrophobicContact CG-CG 4.29Å; Y151-R167 PolarHBondContact O-NE 3.46Å; Y151-R167 PolarHBondContact O-NH2 3.26Å; Y151-L168 HydrophobicContact CD2-CD2 4.09Å; Y151-L168 HydrophobicContact CE2-CD2 3.75Å; Y151-L168 HydrophobicContact CE2-CG 4.01Å
152F91.5Very high85.9Confident119 Ų11982.9 Ų82.952%0.52243%0.433SS..Hα-helixtrans-63.6-34.9177.9-71.8-63.2000113.6F148 L154 E155 Y156 R167F148-F152 HydrophobicContact CB-CD2 4.34Å; F148-F152 HydrophobicContact CD1-CD2 4.2Å; F148-F152 AromaticContact CD1-CE2 3.7Å; F148-F152 HydrophobicContact CD1-CE2 3.7Å; F148-F152 HydrophobicContact CE1-CE2 4.4Å; F148-F152 WeakPolarHBondContact O-CB 3.22Å; F148-F152 WeakPolarHBondContact O-CD2 3.18Å; F148-F152 PolarHBondContact O-N 3.01Å; F152-L154 PolarHBondContact O-N 3.15Å; F152-E155 PolarHBondContact O-N 3.39Å; F152-Y156 PolarHBondContact O-N 3.28Å; F152-Y156 VanDerWaalsContact O-N 3.1Å; F152-R167 VanDerWaalsContact CA-NH2 3.27Å
153G90.8Very high85.2Confident30 Ų3085 Ų8531%0.30944%0.442SS..Hα-helixtrans-62.1-42.9176.200000112.6V149 Y151 E155 Y156 V157V149-G153 WeakPolarHBondContact O-CA 3.39Å; V149-G153 PolarHBondContact O-N 2.83Å; Y151-G153 VanDerWaalsContact C-N 3.33Å; Y151-G153 PolarHBondContact O-N 2.89Å; G153-E155 VanDerWaalsContact C-N 3.31Å; G153-E155 PolarHBondContact O-N 2.86Å; G153-Y156 PolarHBondContact O-N 3.43Å; G153-V157 WeakPolarHBondContact O-CB 3.45Å; G153-V157 WeakPolarHBondContact O-CG2 3.22Å; G153-V157 PolarHBondContact O-N 2.97Å
154L88.2Confident84.7Confident45 Ų4588.7 Ų88.724%0.23646%0.461CS..Hα-helixtrans-65.2-34176.2-75.7170.7000112.5V150 Y151 F152 A158 R167 F170V150-L154 HydrophobicContact CG1-CD1 3.81Å; V150-L154 HydrophobicContact CG1-CG 4.24Å; V150-L154 VanDerWaalsContact O-CB 3.29Å; V150-L154 WeakPolarHBondContact O-CB 3.48Å; V150-L154 WeakPolarHBondContact O-CD1 3.49Å; V150-L154 WeakPolarHBondContact O-CG 3.38Å; V150-L154 PolarHBondContact O-N 3.17Å; Y151-L154 PolarHBondContact O-N 3.37Å; F152-L154 PolarHBondContact O-N 3.15Å; L154-A158 CarbonylContact O-C 3.59Å; L154-A158 WeakPolarHBondContact O-CA 3.35Å; L154-A158 WeakPolarHBondContact O-CB 3.34Å; L154-A158 PolarHBondContact O-N 2.93Å; L154-A158 VanDerWaalsContact O-O 3.04Å; L154-R167 HydrophobicContact CB-CG 4.16Å; L154-R167 HydrophobicContact CD1-CG 4.44Å; L154-F170 HydrophobicContact CD1-CB 3.62Å; L154-F170 HydrophobicContact CD1-CG 4.47Å
155E84.7Confident84.3Confident109 Ų10988.4 Ų88.451%0.50947%0.466SS..Hα-helixtrans-66.4-38.6174.4175.1173.4-147.500112.5Y151 F152 G153 R167Y151-E155 PolarHBondContact O-N 2.9Å; F152-E155 PolarHBondContact O-N 3.39Å; G153-E155 VanDerWaalsContact C-N 3.31Å; G153-E155 PolarHBondContact O-N 2.86Å; E155-R167 IonicContact OE1-NH1 3.5Å; E155-R167 IonicContact OE2-CZ 3.9Å; E155-R167 IonicContact OE2-NH1 2.67Å; E155-R167 PolarHBondContact OE2-NH1 3.44Å; E155-R167 IonicContact OE2-NH2 3.95Å; E155-R167 PolarHBondContact OE2-NH2 3.28Å
156Y84.3Confident83.9Confident214 Ų21491 Ų9184%0.83947%0.47SS*.Hα-helixtrans-79.8-42-179.2-173.4-99.8000113.3F152 G153F152-Y156 PolarHBondContact O-N 3.28Å; F152-Y156 VanDerWaalsContact O-N 3.1Å; G153-Y156 PolarHBondContact O-N 3.43Å
157V82.4Confident83.5Confident122 Ų12290 Ų9074%0.73946%0.463SS*.Hα-helixtrans-82.4-36.9-174.4176.10000111.7G153G153-V157 WeakPolarHBondContact O-CB 3.45Å; G153-V157 WeakPolarHBondContact O-CG2 3.22Å; G153-V157 PolarHBondContact O-N 2.97Å
158A67.6Low83.4Confident22 Ų2290.9 Ų90.918%0.18247%0.47CS..  trans-126.286.8-172.400000110.4L154 I160 A161L154-A158 CarbonylContact O-C 3.59Å; L154-A158 WeakPolarHBondContact O-CA 3.35Å; L154-A158 WeakPolarHBondContact O-CB 3.34Å; L154-A158 PolarHBondContact O-N 2.93Å; L154-A158 VanDerWaalsContact O-O 3.04Å; A158-I160 HydrophobicContact CB-CB 4.26Å; A158-I160 HydrophobicContact CB-CD1 4.49Å; A158-I160 HydrophobicContact CB-CG1 4.47Å; A158-I160 PolarHBondContact O-N 3.43Å; A158-A161 PolarHBondContact O-N 3.04Å
159D69.5Low83.3Confident138 Ų13891 Ų9174%0.73848%0.475SS*.THydrogen-bonded Turntrans-54.7-7.3161.8-17044.8000112.5A161D159-A161 VanDerWaalsContact C-N 3.32Å; D159-A161 PolarHBondContact O-N 2.81Å
160I61.9Low83.2Confident153 Ų15392.3 Ų92.379%0.78547%0.472SS*.THydrogen-bonded Turntrans-63.8-33173.2-53.7170.5000111.8A158 K162A158-I160 HydrophobicContact CB-CB 4.26Å; A158-I160 HydrophobicContact CB-CD1 4.49Å; A158-I160 HydrophobicContact CB-CG1 4.47Å; A158-I160 PolarHBondContact O-N 3.43Å; I160-K162 PolarHBondContact O-N 3.49Å
161A61.1Low83.3Confident30 Ų3090.4 Ų90.425%0.24846%0.461CS..  trans-81.954.9-177.600000112.1A158 D159 N163A158-A161 PolarHBondContact O-N 3.04Å; D159-A161 VanDerWaalsContact C-N 3.32Å; D159-A161 PolarHBondContact O-N 2.81Å; A161-N163 PolarHBondContact O-N 3.24Å
162K67.7Low83.4Confident171 Ų17191.2 Ų91.274%0.74347%0.471SS*.  trans-54.8-23.9174.6-65.2-174.7179.5-178.20113.1I160I160-K162 PolarHBondContact O-N 3.49Å
163N80.7Confident83.7Confident93 Ų9390.3 Ų90.350%0.49747%0.47SS..SBendtrans-96.5114.2177.4-54.5-44.3000110.2A161 A165 F166A161-N163 PolarHBondContact O-N 3.24Å; N163-A165 PolarHBondContact O-N 2.98Å; N163-F166 HydrophobicContact CB-CD2 3.78Å; N163-F166 HydrophobicContact CB-CE2 4.33Å; N163-F166 PolarHBondContact O-N 3.4Å
164N85.6Confident83.9Confident107 Ų10790.4 Ų90.457%0.57247%0.468SS*.Hα-helixtrans-49.3-32173.1-63.1-16.7000112.7R167 L168N164-R167 PolarHBondContact O-N 3.46Å; N164-L168 WeakPolarHBondContact O-CG 3.47Å; N164-L168 PolarHBondContact O-N 2.71Å
165A89.2Confident84.3Confident61 Ų6188.7 Ų88.750%0.50446%0.46SS..Hα-helixtrans-61.1-47.1178.300000113.3N163 R167 L168 L169N163-A165 PolarHBondContact O-N 2.98Å; A165-R167 VanDerWaalsContact C-N 3.33Å; A165-R167 PolarHBondContact O-N 3.29Å; A165-L168 PolarHBondContact O-N 2.8Å; A165-L169 WeakPolarHBondContact O-CG 3.27Å; A165-L169 PolarHBondContact O-N 3.39Å
166F88.6Confident84.8Confident116 Ų11687.1 Ų87.151%0.50946%0.458SS..Hα-helixtrans-65.9-39.6-179.7-73.5-59.8000111.3N163 L168 L169 F170N163-F166 HydrophobicContact CB-CD2 3.78Å; N163-F166 HydrophobicContact CB-CE2 4.33Å; N163-F166 PolarHBondContact O-N 3.4Å; F166-L168 PolarHBondContact O-N 3.24Å; F166-L169 PolarHBondContact O-N 3.12Å; F166-F170 WeakPolarHBondContact O-CD2 3.28Å; F166-F170 PolarHBondContact O-N 3.08Å
167R88.6Confident85.4Confident12 Ų1281 Ų815%0.04544%0.443CS..Hα-helixtrans-60.2-44.5177.1-172.1-174.5167.7-177.71.7112.1Y151 F152 L154 E155 N164 A165 S171Y151-R167 HydrophobicContact CD2-CB 4.44Å; Y151-R167 HydrophobicContact CD2-CG 3.55Å; Y151-R167 VanDerWaalsContact CD2-NE 3.3Å; Y151-R167 HydrophobicContact CE2-CB 4.31Å; Y151-R167 VanDerWaalsContact CE2-CD 3.42Å; Y151-R167 HydrophobicContact CE2-CG 3.7Å; Y151-R167 VanDerWaalsContact CE2-NE 3.29Å; Y151-R167 HydrophobicContact CG-CG 4.29Å; Y151-R167 PolarHBondContact O-NE 3.46Å; Y151-R167 PolarHBondContact O-NH2 3.26Å; F152-R167 VanDerWaalsContact CA-NH2 3.27Å; L154-R167 HydrophobicContact CB-CG 4.16Å; L154-R167 HydrophobicContact CD1-CG 4.44Å; E155-R167 IonicContact OE1-NH1 3.5Å; E155-R167 IonicContact OE2-CZ 3.9Å; E155-R167 IonicContact OE2-NH1 2.67Å; E155-R167 PolarHBondContact OE2-NH1 3.44Å; E155-R167 IonicContact OE2-NH2 3.95Å; E155-R167 PolarHBondContact OE2-NH2 3.28Å; N164-R167 PolarHBondContact O-N 3.46Å; A165-R167 VanDerWaalsContact C-N 3.33Å; A165-R167 PolarHBondContact O-N 3.29Å; R167-S171 VanDerWaalsContact O-CB 3.3Å; R167-S171 WeakPolarHBondContact O-CB 3.41Å; R167-S171 PolarHBondContact O-N 3.33Å
168L93.2Very high86.1Confident75 Ų7577 Ų7739%0.39342%0.419SS..Hα-helixtrans-63.9-43.3174.9-73.9167.3000112F147 Y151 N164 A165 F166 S171 T172F147-L168 HydrophobicContact CZ-CD2 3.92Å; Y151-L168 HydrophobicContact CD2-CD2 4.09Å; Y151-L168 HydrophobicContact CE2-CD2 3.75Å; Y151-L168 HydrophobicContact CE2-CG 4.01Å; N164-L168 WeakPolarHBondContact O-CG 3.47Å; N164-L168 PolarHBondContact O-N 2.71Å; A165-L168 PolarHBondContact O-N 2.8Å; F166-L168 PolarHBondContact O-N 3.24Å; L168-S171 PolarHBondContact O-N 3.46Å; L168-T172 VanDerWaalsContact O-CB 3.29Å; L168-T172 WeakPolarHBondContact O-CB 3.41Å; L168-T172 PolarHBondContact O-N 3.25Å; L168-T172 PolarHBondContact O-OG1 3.29Å
169L94Very high87.4Confident102 Ų10280.8 Ų80.853%0.53443%0.431SS..Hα-helixtrans-63.1-49.7179.2-72.8175.3000112A165 F166 S171 T172 I173A165-L169 WeakPolarHBondContact O-CG 3.27Å; A165-L169 PolarHBondContact O-N 3.39Å; F166-L169 PolarHBondContact O-N 3.12Å; L169-S171 PolarHBondContact O-N 2.85Å; L169-T172 PolarHBondContact O-N 2.89Å; L169-I173 VanDerWaalsContact O-CG1 3.25Å; L169-I173 WeakPolarHBondContact O-CG1 2.99Å; L169-I173 PolarHBondContact O-N 2.85Å
170F92.5Very high88.7Confident130 Ų13080.5 Ų80.557%0.5743%0.427SS*.Hα-helixtrans-62.1-42.7178.1-87.9-78.7000112.2L154 F166 I173 A174L154-F170 HydrophobicContact CD1-CB 3.62Å; L154-F170 HydrophobicContact CD1-CG 4.47Å; F166-F170 WeakPolarHBondContact O-CD2 3.28Å; F166-F170 PolarHBondContact O-N 3.08Å; F170-I173 PolarHBondContact O-N 2.67Å; F170-A174 WeakPolarHBondContact O-CB 3.3Å; F170-A174 PolarHBondContact O-N 2.86Å
171S94.1Very high90.2Very high0 Ų077 Ų770%042%0.415CS..Hα-helixtrans-63.3-42.3176.1179.10000112.3F147 R167 L168 L169 A174 A175F147-S171 VanDerWaalsContact CA-OG 3.29Å; F147-S171 WeakPolarHBondContact CA-OG 3.46Å; F147-S171 WeakPolarHBondContact CD2-OG 3.3Å; F147-S171 WeakPolarHBondContact CE2-OG 3.29Å; F147-S171 WeakPolarHBondContact CG-OG 3.33Å; F147-S171 PolarHBondContact O-OG 3.47Å; R167-S171 VanDerWaalsContact O-CB 3.3Å; R167-S171 WeakPolarHBondContact O-CB 3.41Å; R167-S171 PolarHBondContact O-N 3.33Å; L168-S171 PolarHBondContact O-N 3.46Å; L169-S171 PolarHBondContact O-N 2.85Å; S171-A174 PolarHBondContact O-N 3.29Å; S171-A175 VanDerWaalsContact O-CB 3.28Å; S171-A175 WeakPolarHBondContact O-CB 3.49Å; S171-A175 PolarHBondContact O-N 3.37Å
172T95.7Very high91.8Very high67 Ų6777.5 Ų77.541%0.41141%0.414SS..Hα-helixtrans-64.5-45.9177.1-55.40000111.2L168 L169 A174 A175 T176L168-T172 VanDerWaalsContact O-CB 3.29Å; L168-T172 WeakPolarHBondContact O-CB 3.41Å; L168-T172 PolarHBondContact O-N 3.25Å; L168-T172 PolarHBondContact O-OG1 3.29Å; L169-T172 PolarHBondContact O-N 2.89Å; T172-A174 PolarHBondContact O-N 3.43Å; T172-A175 PolarHBondContact O-N 3.43Å; T172-T176 HydrophobicContact CG2-CG2 4.34Å; T172-T176 VanDerWaalsContact O-CG2 3.27Å; T172-T176 WeakPolarHBondContact O-CG2 3.17Å; T172-T176 PolarHBondContact O-N 2.69Å; T172-T176 PolarHBondContact O-OG1 2.9Å
173I96.4Very high92.9Very high99 Ų9973.2 Ų73.251%0.50840%0.399SS..Hα-helixtrans-59.3-48.9177.4-68.3164.7000110.1L169 F170 A175 T176 V177L169-I173 VanDerWaalsContact O-CG1 3.25Å; L169-I173 WeakPolarHBondContact O-CG1 2.99Å; L169-I173 PolarHBondContact O-N 2.85Å; F170-I173 PolarHBondContact O-N 2.67Å; I173-A175 PolarHBondContact O-N 2.93Å; I173-T176 WeakPolarHBondContact CA-OG1 3.29Å; I173-T176 PolarHBondContact O-N 2.93Å; I173-T176 PolarHBondContact O-OG1 2.64Å; I173-V177 WeakPolarHBondContact O-CG2 3.46Å; I173-V177 PolarHBondContact O-N 2.81Å; I173-V177 VanDerWaalsContact O-N 3.08Å
174A95.5Very high93.4Very high32 Ų3276.4 Ų76.426%0.26441%0.405SS..Hα-helixtrans-60.3-44.4177.800000112.3V150 F170 S171 T172 T176 V177 V178V150-A174 HydrophobicContact CG1-CB 4.27Å; V150-A174 HydrophobicContact CG2-CB 3.93Å; F170-A174 WeakPolarHBondContact O-CB 3.3Å; F170-A174 PolarHBondContact O-N 2.86Å; S171-A174 PolarHBondContact O-N 3.29Å; T172-A174 PolarHBondContact O-N 3.43Å; A174-T176 PolarHBondContact O-N 2.76Å; A174-V177 PolarHBondContact O-N 2.67Å; A174-V178 PolarHBondContact O-N 3.35Å; A174-V178 VanDerWaalsContact O-N 3.12Å
175A96.9Very high93.6Very high9 Ų977.1 Ų77.17%0.07440%0.403CS..Hα-helixtrans-63.2-3917700000112.4V143 F147 S171 T172 I173 V178 F179V143-A175 HydrophobicContact CG1-CB 4.32Å; F147-A175 HydrophobicContact CB-CB 4.12Å; F147-A175 HydrophobicContact CD2-CB 4.44Å; S171-A175 VanDerWaalsContact O-CB 3.28Å; S171-A175 WeakPolarHBondContact O-CB 3.49Å; S171-A175 PolarHBondContact O-N 3.37Å; T172-A175 PolarHBondContact O-N 3.43Å; I173-A175 PolarHBondContact O-N 2.93Å; A175-V178 PolarHBondContact O-N 3.37Å; A175-F179 WeakPolarHBondContact O-CB 3.11Å; A175-F179 PolarHBondContact O-N 3.43Å
176T96.4Very high93.6Very high76 Ų7676 Ų7647%0.46639%0.388SS..Hα-helixtrans-66.1-37.3176.857.70000112.8T172 I173 A174 F179 M180T172-T176 HydrophobicContact CG2-CG2 4.34Å; T172-T176 VanDerWaalsContact O-CG2 3.27Å; T172-T176 WeakPolarHBondContact O-CG2 3.17Å; T172-T176 PolarHBondContact O-N 2.69Å; T172-T176 PolarHBondContact O-OG1 2.9Å; I173-T176 WeakPolarHBondContact CA-OG1 3.29Å; I173-T176 PolarHBondContact O-N 2.93Å; I173-T176 PolarHBondContact O-OG1 2.64Å; A174-T176 PolarHBondContact O-N 2.76Å; T176-F179 PolarHBondContact O-N 3.1Å; T176-M180 WeakPolarHBondContact O-CB 3.2Å; T176-M180 PolarHBondContact O-N 3.49Å
177V96.8Very high93.6Very high85 Ų8573.1 Ų73.152%0.51539%0.386SS..Hα-helixtrans-64.7-46.1175.5173.50000110.4I173 A174 M180 C181I173-V177 WeakPolarHBondContact O-CG2 3.46Å; I173-V177 PolarHBondContact O-N 2.81Å; I173-V177 VanDerWaalsContact O-N 3.08Å; A174-V177 PolarHBondContact O-N 2.67Å; V177-M180 PolarHBondContact O-N 3.25Å; V177-C181 PolarHBondContact O-N 2.98Å; V177-C181 PolarHBondContact O-SG 3.01Å
178V96.1Very high93.6Very high40 Ų4079 Ų7924%0.24241%0.412CS..Hα-helixtrans-62.8-43.2176.21730000111.4T142 T146 A174 A175 M180 C181 D182T142-V178 HydrophobicContact CG2-CG1 4.27Å; T146-V178 HydrophobicContact CG2-CB 4.35Å; T146-V178 HydrophobicContact CG2-CG2 3.83Å; A174-V178 PolarHBondContact O-N 3.35Å; A174-V178 VanDerWaalsContact O-N 3.12Å; A175-V178 PolarHBondContact O-N 3.37Å; V178-M180 VanDerWaalsContact C-N 3.32Å; V178-M180 PolarHBondContact O-N 2.81Å; V178-C181 WeakPolarHBondContact O-CB 3.43Å; V178-C181 PolarHBondContact O-N 3.45Å; V178-C181 VanDerWaalsContact O-N 3.15Å; V178-D182 PolarHBondContact O-N 3.25Å
179F95.7Very high93.1Very high100 Ų10078 Ų7844%0.43941%0.409SS..Hα-helixtrans-59-43.4175.6177.9-111.6000112.1V143 A175 T176 C181 D182 L183V143-F179 HydrophobicContact CG1-CB 4.49Å; V143-F179 HydrophobicContact CG2-CB 3.81Å; V143-F179 HydrophobicContact CG2-CD2 3.93Å; V143-F179 HydrophobicContact CG2-CG 4.36Å; A175-F179 WeakPolarHBondContact O-CB 3.11Å; A175-F179 PolarHBondContact O-N 3.43Å; T176-F179 PolarHBondContact O-N 3.1Å; F179-C181 VanDerWaalsContact C-N 3.32Å; F179-C181 PolarHBondContact O-N 2.88Å; F179-D182 PolarHBondContact O-N 3.46Å; F179-L183 HydrophobicContact CE1-CD1 3.79Å; F179-L183 HydrophobicContact CE2-CD1 4.28Å; F179-L183 HydrophobicContact CZ-CD1 3.59Å; F179-L183 WeakPolarHBondContact O-CB 3.42Å; F179-L183 PolarHBondContact O-N 3.06Å
180M95.6Very high92.3Very high133 Ų13379.1 Ų79.166%0.65542%0.415SS*.Hα-helixtrans-62.8-40.1176.8-16569.1178.700111.6T176 V177 V178 Y184T176-M180 WeakPolarHBondContact O-CB 3.2Å; T176-M180 PolarHBondContact O-N 3.49Å; V177-M180 PolarHBondContact O-N 3.25Å; V178-M180 VanDerWaalsContact C-N 3.32Å; V178-M180 PolarHBondContact O-N 2.81Å; M180-Y184 WeakPolarHBondContact O-CB 3.25Å; M180-Y184 PolarHBondContact O-N 3.45Å
181C94.7Very high91.5Very high78 Ų7881.7 Ų81.753%0.52743%0.429SS..Hα-helixtrans-62.8-47.8175-69.10000112.4V177 V178 F179 Y184 F185V177-C181 PolarHBondContact O-N 2.98Å; V177-C181 PolarHBondContact O-SG 3.01Å; V178-C181 WeakPolarHBondContact O-CB 3.43Å; V178-C181 PolarHBondContact O-N 3.45Å; V178-C181 VanDerWaalsContact O-N 3.15Å; F179-C181 VanDerWaalsContact C-N 3.32Å; F179-C181 PolarHBondContact O-N 2.88Å; C181-Y184 WeakPolarHBondContact O-CB 3.38Å; C181-Y184 PolarHBondContact O-N 3.01Å; C181-F185 PolarHBondContact O-N 3.06Å; C181-F185 VanDerWaalsContact O-N 3.08Å
182D93Very high89.4Confident41 Ų4189 Ų8922%0.21948%0.48CS..Hα-helixtrans-67.5-41-179.2-73.6-11.1000111.6T139 V178 F179 Y184 F185 I186T139-D182 HydrophobicContact CG2-CB 3.62Å; V178-D182 PolarHBondContact O-N 3.25Å; F179-D182 PolarHBondContact O-N 3.46Å; D182-Y184 VanDerWaalsContact C-N 3.32Å; D182-Y184 PolarHBondContact O-N 3.48Å; D182-F185 WeakPolarHBondContact O-CB 3.36Å; D182-F185 PolarHBondContact O-N 3.45Å; D182-F185 VanDerWaalsContact O-N 3.17Å; D182-I186 WeakPolarHBondContact O-CG1 3.49Å; D182-I186 PolarHBondContact O-N 3.44Å
183L91.9Very high89.1Confident82 Ų8290.2 Ų90.243%0.42948%0.484SS..Hα-helixtrans-63.7-40.4177.4-166.6151.9000111.1F179 F185 I186 A187F179-L183 HydrophobicContact CE1-CD1 3.79Å; F179-L183 HydrophobicContact CE2-CD1 4.28Å; F179-L183 HydrophobicContact CZ-CD1 3.59Å; F179-L183 WeakPolarHBondContact O-CB 3.42Å; F179-L183 PolarHBondContact O-N 3.06Å; L183-F185 VanDerWaalsContact C-N 3.33Å; L183-F185 PolarHBondContact O-N 2.95Å; L183-I186 PolarHBondContact O-N 3.37Å; L183-A187 WeakPolarHBondContact O-CB 3.33Å; L183-A187 PolarHBondContact O-N 3.01Å
184Y91.4Very high88.7Confident159 Ų15989.7 Ų89.762%0.62448%0.482SS*.Hα-helixtrans-59.4-44172.7174.3-96.1000111.9M180 C181 D182 A187 K188M180-Y184 WeakPolarHBondContact O-CB 3.25Å; M180-Y184 PolarHBondContact O-N 3.45Å; C181-Y184 WeakPolarHBondContact O-CB 3.38Å; C181-Y184 PolarHBondContact O-N 3.01Å; D182-Y184 VanDerWaalsContact C-N 3.32Å; D182-Y184 PolarHBondContact O-N 3.48Å; Y184-A187 PolarHBondContact O-N 3.47Å; Y184-K188 PolarHBondContact O-N 3.06Å; Y184-K188 VanDerWaalsContact O-N 3.1Å
185F89.4Confident88.3Confident123 Ų12392.9 Ų92.954%0.53949%0.494SS..Hα-helixtrans-62.1-45.1177-177.9-99000111.8C181 D182 L183 K188 T189C181-F185 PolarHBondContact O-N 3.06Å; C181-F185 VanDerWaalsContact O-N 3.08Å; D182-F185 WeakPolarHBondContact O-CB 3.36Å; D182-F185 PolarHBondContact O-N 3.45Å; D182-F185 VanDerWaalsContact O-N 3.17Å; L183-F185 VanDerWaalsContact C-N 3.33Å; L183-F185 PolarHBondContact O-N 2.95Å; F185-K188 PolarHBondContact O-N 3.5Å; F185-T189 HydrophobicContact CD1-CG2 4.11Å; F185-T189 HydrophobicContact CE1-CG2 3.7Å; F185-T189 HydrophobicContact CE2-CG2 4.19Å; F185-T189 HydrophobicContact CZ-CG2 3.74Å; F185-T189 WeakPolarHBondContact O-CG2 3.35Å; F185-T189 PolarHBondContact O-N 3.03Å; F185-T189 PolarHBondContact O-OG1 2.84Å
186I88.9Confident87.8Confident36 Ų3697.8 Ų97.819%0.18552%0.519CS..Hα-helixtrans-61.7-45.9177.3-67.8161.4000111.6M135 L136 T139 D182 L183 K188 T189 L190M135-I186 HydrophobicContact CG-CG1 4.34Å; M135-I186 HydrophobicContact SD-CG1 3.85Å; L136-I186 HydrophobicContact CD2-CD1 4.13Å; T139-I186 HydrophobicContact CG2-CD1 4.19Å; T139-I186 WeakPolarHBondContact OG1-CD1 3.42Å; D182-I186 WeakPolarHBondContact O-CG1 3.49Å; D182-I186 PolarHBondContact O-N 3.44Å; L183-I186 PolarHBondContact O-N 3.37Å; I186-K188 PolarHBondContact O-N 2.89Å; I186-T189 WeakPolarHBondContact CA-OG1 3.35Å; I186-T189 PolarHBondContact O-N 3.27Å; I186-T189 PolarHBondContact O-OG1 3.03Å; I186-L190 PolarHBondContact O-N 2.88Å
187A88.3Confident87.3Confident57 Ų5799.2 Ų99.247%0.47152%0.522SS..Hα-helixtrans-59.1-39.3179.200000111.2L183 Y184L183-A187 WeakPolarHBondContact O-CB 3.33Å; L183-A187 PolarHBondContact O-N 3.01Å; Y184-A187 PolarHBondContact O-N 3.47Å
188K88.8Confident86.7Confident136 Ų136100.1 Ų100.159%0.59152%0.523SS*.Hα-helixtrans-70.2-38.1176.7-171177.9179.8-179.90112.9Y184 F185 I186 L190Y184-K188 PolarHBondContact O-N 3.06Å; Y184-K188 VanDerWaalsContact O-N 3.1Å; F185-K188 PolarHBondContact O-N 3.5Å; I186-K188 PolarHBondContact O-N 2.89Å; K188-L190 VanDerWaalsContact C-N 3.34Å
189T82.2Confident86Confident52 Ų52104.4 Ų104.432%0.31954%0.543SS..Hα-helixtrans-76.1-20.2179.657.40000113.6F185 I186F185-T189 HydrophobicContact CD1-CG2 4.11Å; F185-T189 HydrophobicContact CE1-CG2 3.7Å; F185-T189 HydrophobicContact CE2-CG2 4.19Å; F185-T189 HydrophobicContact CZ-CG2 3.74Å; F185-T189 WeakPolarHBondContact O-CG2 3.35Å; F185-T189 PolarHBondContact O-N 3.03Å; F185-T189 PolarHBondContact O-OG1 2.84Å; I186-T189 WeakPolarHBondContact CA-OG1 3.35Å; I186-T189 PolarHBondContact O-N 3.27Å; I186-T189 PolarHBondContact O-OG1 3.03Å
190L77.9Confident85.2Confident127 Ų127104.8 Ų104.867%0.66555%0.551SS**Hα-helixtrans-75.3-31.5174.7-176.163.7000112.7I186 K188I186-L190 PolarHBondContact O-N 2.88Å; K188-L190 VanDerWaalsContact C-N 3.34Å
191Q75.7Confident84.4Confident183 Ų183102.4 Ų102.486%0.85554%0.542SS*.Hα-helixtrans-81.6-22.9-179.7-171.8176.9-10.400113.2
192S50.4Low83.4Confident155 Ų155104.6 Ų104.6100%1.08454%0.544SS*.  trans-93.40179.8-175.90000112.6

Retrieved 192 of 192 residues in 104.4 ms (Link to these results)

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