A0A3Q0KT46_SCHMA Loading...

Protein aurora borealis

AlphaFold DB , UniProt , Accession A0A3Q0KT46, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 556 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
1M34.9Very low51.5Low241 Ų241118.8 Ų118.8100%1.18771%0.709SS**  095.90-72180-65.800106N3M1-N3 PolarHBondContact O-N 2.95Å
2E40.7Very low52.9Low192 Ų192112.6 Ų112.690%0.89767%0.669SS**  trans-65.2122.1171.8-77.8174.9150.200107.2P4E2-P4 WeakPolarHBondContact O-CD 3.32Å
3N36.9Very low54.1Low150 Ų150108.5 Ų108.580%0.80265%0.649SS**  trans-67109.9-175.2-148.7-7000107.6M1 G5M1-N3 PolarHBondContact O-N 2.95Å; N3-G5 PolarHBondContact O-N 3.28Å
4P44.6Very low54.8Low130 Ų130104.1 Ų104.184%0.84462%0.624SS**THydrogen-bonded Turntrans-75.812.2-174.631.4-32.4000112.9E2E2-P4 WeakPolarHBondContact O-CD 3.32Å
5G47.3Very low55.2Low65 Ų65112.4 Ų112.467%0.6764%0.642SS**THydrogen-bonded Turntrans-93.1-10-167.200000116.7N3N3-G5 PolarHBondContact O-N 3.28Å
6A50.6Low55.9Low91 Ų91109.8 Ų109.875%0.75265%0.647SS**  trans-105.163177.900000110.1T8A6-T8 PolarHBondContact O-N 3.01Å
7G56.3Low56.4Low38 Ų38108.1 Ų108.139%0.39263%0.631SS.*PPolyproline II helixtrans-56.8124166.300000107.9P24G7-P24 WeakPolarHBondContact O-CB 3.42Å; G7-P24 WeakPolarHBondContact O-CG 3.46Å
8T55.5Low56.9Low111 Ų111106.6 Ų106.668%0.68162%0.618SS**PPolyproline II helixtrans-77.7143.9168.431.90000108.5A6 V10A6-T8 PolarHBondContact O-N 3.01Å; T8-V10 PolarHBondContact O-N 3.23Å
9P59.5Low57.5Low81 Ų81102.6 Ų102.653%0.52659%0.592SS.*PPolyproline II helixtrans-58.9123.9174.1-1828.4000110I21 T22 P24P9-I21 HydrophobicContact CB-CG2 3.54Å; P9-T22 WeakPolarHBondContact CA-O 3.48Å; P9-T22 WeakPolarHBondContact CB-O 3.45Å; P9-P24 HydrophobicContact CG-CG 4.32Å
10V68.9Low58.4Low84 Ų8497.6 Ų97.651%0.50956%0.564SS.*EExtended strand (participates in β ladder)trans-100.3126.6-179.8-175.90000108.7T8 I12 T22T8-V10 PolarHBondContact O-N 3.23Å; V10-I12 PolarHBondContact O-N 3.01Å; V10-T22 WeakPolarHBondContact CB-OG1 3.41Å; V10-T22 PolarHBondContact N-O 3.45Å; V10-T22 PolarHBondContact N-OG1 3.05Å; V10-T22 PolarHBondContact O-N 3.47Å; V10-T22 PolarHBondContact O-OG1 3.32Å
11K71.4Confident59.1Low124 Ų12495.8 Ų95.854%0.53955%0.552SS.*EExtended strand (participates in β ladder)trans-68130.5173.4-64.8-175.3171.4-139.20110E18K11-E18 VanDerWaalsContact CD-OE1 3.28Å; K11-E18 WeakPolarHBondContact CD-OE1 3.48Å; K11-E18 WeakPolarHBondContact CE-OE1 3.38Å; K11-E18 VanDerWaalsContact NZ-CD 3.25Å; K11-E18 IonicContact NZ-OE1 2.82Å; K11-E18 PolarHBondContact NZ-OE1 3.06Å; K11-E18 IonicContact NZ-OE2 2.93Å; K11-E18 PolarHBondContact NZ-OE2 3.15Å
12I68.3Low60.7Low44 Ų4486.2 Ų86.223%0.22651%0.507CS..EExtended strand (participates in β ladder)trans-96.5106.2176-56.5167.2000107.2V10 P14 F19 G20 T22 L28V10-I12 PolarHBondContact O-N 3.01Å; I12-P14 VanDerWaalsContact C-CD 3.48Å; I12-P14 VanDerWaalsContact O-CD 3.32Å; I12-P14 WeakPolarHBondContact O-CD 3.35Å; I12-F19 HydrophobicContact CG2-CD1 4.49Å; I12-F19 WeakPolarHBondContact O-CB 3.36Å; I12-F19 PolarHBondContact O-N 3.33Å; I12-G20 WeakPolarHBondContact CA-O 3.22Å; I12-G20 WeakPolarHBondContact CB-O 3.44Å; I12-G20 PolarHBondContact N-O 3.29Å; I12-G20 PolarHBondContact O-N 2.99Å; I12-T22 HydrophobicContact CD1-CG2 3.42Å; I12-T22 VanDerWaalsContact CD1-CG2 3.42Å; I12-T22 HydrophobicContact CG1-CG2 3.5Å; I12-T22 VanDerWaalsContact CG1-CG2 3.5Å; I12-L28 HydrophobicContact CD1-CD2 3.46Å; I12-L28 VanDerWaalsContact CD1-CD2 3.46Å
13C68.9Low61.9Low60 Ų6078.5 Ų78.541%0.40547%0.473SS..  trans-117.873.2179.9-56.60000111.7Y15 G16 E17C13-Y15 PolarHBondContact O-N 3.02Å; C13-G16 PolarHBondContact O-N 3.08Å; C13-E17 WeakPolarHBondContact CA-O 3.31Å
14P63.3Low62.9Low46 Ų4675.1 Ų75.130%0.29946%0.459SS..G310 helixtrans-60122.9169.428-30.8000107.7I12 G16 F19I12-P14 VanDerWaalsContact C-CD 3.48Å; I12-P14 VanDerWaalsContact O-CD 3.32Å; I12-P14 WeakPolarHBondContact O-CD 3.35Å; P14-G16 VanDerWaalsContact C-N 3.25Å; P14-G16 PolarHBondContact O-N 3.02Å; P14-F19 HydrophobicContact CG-CB 3.53Å; P14-F19 HydrophobicContact CG-CD1 4.25Å; P14-F19 HydrophobicContact CG-CD2 4.39Å; P14-F19 HydrophobicContact CG-CG 3.84Å
15Y61.4Low63.9Low229 Ų22974.2 Ų74.290%0.89846%0.456SS*.G310 helixtrans64.520.1-179.6-44.7-76.2000116C13C13-Y15 PolarHBondContact O-N 3.02Å
16G65.2Low64.8Low71 Ų7173 Ų7373%0.73244%0.443SS*.G310 helixtrans87.33.5175.400000115.1C13 P14C13-G16 PolarHBondContact O-N 3.08Å; P14-G16 VanDerWaalsContact C-N 3.25Å; P14-G16 PolarHBondContact O-N 3.02Å
17E65Low65.4Low80 Ų8069.8 Ų69.837%0.37442%0.419SS..SBendtrans-109.9135.2179-148.9174.1-143.100110.3C13 F19 H34 K35C13-E17 WeakPolarHBondContact CA-O 3.31Å; E17-F19 PolarHBondContact O-N 2.93Å; E17-H34 IonicContact OE2-CE1 3.76Å; E17-H34 IonicContact OE2-NE2 3.38Å; E17-H34 PolarHBondContact OE2-NE2 3.04Å; E17-K35 IonicContact OE1-NZ 2.99Å; E17-K35 PolarHBondContact OE1-NZ 2.85Å; E17-K35 WeakPolarHBondContact OE2-CD 3.43Å; E17-K35 WeakPolarHBondContact OE2-CE 3.18Å; E17-K35 IonicContact OE2-NZ 2.6Å; E17-K35 PolarHBondContact OE2-NZ 3.37Å
18E65.1Low66Low82 Ų8269.9 Ų69.938%0.38341%0.41SS..  trans-71.996.4-173.1-170.2166.9-171.200111.1K11 H34K11-E18 VanDerWaalsContact CD-OE1 3.28Å; K11-E18 WeakPolarHBondContact CD-OE1 3.48Å; K11-E18 WeakPolarHBondContact CE-OE1 3.38Å; K11-E18 VanDerWaalsContact NZ-CD 3.25Å; K11-E18 IonicContact NZ-OE1 2.82Å; K11-E18 PolarHBondContact NZ-OE1 3.06Å; K11-E18 IonicContact NZ-OE2 2.93Å; K11-E18 PolarHBondContact NZ-OE2 3.15Å; E18-H34 PolarHBondContact O-CD2 2.87Å
19F69.5Low66.6Low30 Ų3069.6 Ų69.613%0.13240%0.404CS..  trans-84.4-34.4-176.9-176.5-110.2000112.4I12 P14 E17 F30 N31 H34 E36 F37I12-F19 HydrophobicContact CG2-CD1 4.49Å; I12-F19 WeakPolarHBondContact O-CB 3.36Å; I12-F19 PolarHBondContact O-N 3.33Å; P14-F19 HydrophobicContact CG-CB 3.53Å; P14-F19 HydrophobicContact CG-CD1 4.25Å; P14-F19 HydrophobicContact CG-CD2 4.39Å; P14-F19 HydrophobicContact CG-CG 3.84Å; E17-F19 PolarHBondContact O-N 2.93Å; F19-F30 AromaticContact CD1-CD1 3.53Å; F19-F30 HydrophobicContact CD1-CD1 3.53Å; F19-F30 AromaticContact CD1-CE1 3.59Å; F19-F30 HydrophobicContact CD1-CE1 3.59Å; F19-F30 AromaticContact CE1-CD1 3.32Å; F19-F30 HydrophobicContact CE1-CD1 3.32Å; F19-F30 AromaticContact CE1-CE1 3.22Å; F19-F30 HydrophobicContact CE1-CE1 3.22Å; F19-F30 HydrophobicContact CE1-CG 4.5Å; F19-F30 HydrophobicContact CE1-CZ 4.33Å; F19-F30 HydrophobicContact CG-CD1 4.44Å; F19-F30 HydrophobicContact CZ-CD1 4.07Å; F19-F30 HydrophobicContact CZ-CE1 4.24Å; F19-N31 PolarHBondContact O-N 2.85Å; F19-N31 VanDerWaalsContact O-N 3.13Å; F19-H34 AromaticContact CD2-CE1 3.65Å; F19-H34 AromaticContact CD2-CG 3.91Å; F19-H34 AromaticContact CD2-ND1 3.52Å; F19-H34 AromaticContact CE2-ND1 3.96Å; F19-E36 HydrophobicContact CE2-CB 4.24Å; F19-E36 WeakPolarHBondContact CE2-OE2 3.13Å; F19-F37 HydrophobicContact CD2-CE2 4.24Å; F19-F37 HydrophobicContact CE1-CZ 4.19Å; F19-F37 AromaticContact CE2-CE2 3.67Å; F19-F37 HydrophobicContact CE2-CE2 3.67Å; F19-F37 AromaticContact CE2-CZ 3.66Å; F19-F37 HydrophobicContact CE2-CZ 3.66Å; F19-F37 HydrophobicContact CZ-CE1 4.25Å; F19-F37 AromaticContact CZ-CE2 3.92Å; F19-F37 HydrophobicContact CZ-CE2 3.92Å; F19-F37 AromaticContact CZ-CZ 3.44Å; F19-F37 HydrophobicContact CZ-CZ 3.44Å; F19-F37 VanDerWaalsContact CZ-CZ 3.44Å
20G74Confident67.4Low3 Ų367.9 Ų67.93%0.03139%0.388CS..EExtended strand (participates in β ladder)trans-178.1-177-179.700000112.5I12 I29I12-G20 WeakPolarHBondContact CA-O 3.22Å; I12-G20 WeakPolarHBondContact CB-O 3.44Å; I12-G20 PolarHBondContact N-O 3.29Å; I12-G20 PolarHBondContact O-N 2.99Å; G20-I29 CarbonylContact C-O 3.48Å; G20-I29 WeakPolarHBondContact CA-O 3.48Å
21I72.9Confident67.5Low60 Ų6067.2 Ų67.231%0.30838%0.382SS..EExtended strand (participates in β ladder)trans-128.2132.6-179.3-59.2167.8000107.7P9 I29P9-I21 HydrophobicContact CB-CG2 3.54Å; I21-I29 PolarHBondContact N-O 2.76Å; I21-I29 PolarHBondContact O-N 2.96Å
22T68.8Low67.3Low39 Ų3965.2 Ų65.224%0.23938%0.381CS..EExtended strand (participates in β ladder)trans-79128.7168.769.50000108.8P9 V10 I12 G27 L28P9-T22 WeakPolarHBondContact CA-O 3.48Å; P9-T22 WeakPolarHBondContact CB-O 3.45Å; V10-T22 WeakPolarHBondContact CB-OG1 3.41Å; V10-T22 PolarHBondContact N-O 3.45Å; V10-T22 PolarHBondContact N-OG1 3.05Å; V10-T22 PolarHBondContact O-N 3.47Å; V10-T22 PolarHBondContact O-OG1 3.32Å; I12-T22 HydrophobicContact CD1-CG2 3.42Å; I12-T22 VanDerWaalsContact CD1-CG2 3.42Å; I12-T22 HydrophobicContact CG1-CG2 3.5Å; I12-T22 VanDerWaalsContact CG1-CG2 3.5Å; T22-G27 CarbonylContact C-O 3.56Å; T22-G27 WeakPolarHBondContact CA-O 3.5Å; T22-L28 HydrophobicContact CG2-CD2 3.59Å
23T66.2Low67.3Low31 Ų3170.6 Ų70.619%0.1940%0.403CS..  trans-74.9156.3169.467.60000110.1S25 G26 G27 I29T23-S25 PolarHBondContact O-N 3.32Å; T23-S25 PolarHBondContact OG1-OG 3.43Å; T23-G26 PolarHBondContact O-N 3.5Å; T23-G27 PolarHBondContact N-O 3.15Å; T23-G27 WeakPolarHBondContact OG1-CA 3.39Å; T23-G27 PolarHBondContact OG1-N 2.81Å; T23-G27 PolarHBondContact OG1-O 3.09Å; T23-I29 HydrophobicContact CG2-CD1 3.55Å; T23-I29 HydrophobicContact CG2-CG1 3.81Å
24P57.9Low67.4Low79 Ų7968.3 Ų68.351%0.51339%0.387SS..THydrogen-bonded Turntrans-57.2-30.5175.7-25.937.1000113.1G7 P9 G26G7-P24 WeakPolarHBondContact O-CB 3.42Å; G7-P24 WeakPolarHBondContact O-CG 3.46Å; P9-P24 HydrophobicContact CG-CG 4.32Å; P24-G26 PolarHBondContact O-N 2.86Å
25S66.1Low67.7Low111 Ų11172.1 Ų72.178%0.77640%0.398SS*.THydrogen-bonded Turntrans-73.9-1.3175.6530000114.3T23T23-S25 PolarHBondContact O-N 3.32Å; T23-S25 PolarHBondContact OG1-OG 3.43Å
26G65.2Low68.1Low38 Ų3864.4 Ų64.439%0.39237%0.371SS..SBendtrans85.95-177.700000114.6T23 P24T23-G26 PolarHBondContact O-N 3.5Å; P24-G26 PolarHBondContact O-N 2.86Å
27G64.9Low68.2Low25 Ų2562 Ų6226%0.25834%0.34SS..  trans-71.1160.2170.500000111.8T22 T23T22-G27 CarbonylContact C-O 3.56Å; T22-G27 WeakPolarHBondContact CA-O 3.5Å; T23-G27 PolarHBondContact N-O 3.15Å; T23-G27 WeakPolarHBondContact OG1-CA 3.39Å; T23-G27 PolarHBondContact OG1-N 2.81Å; T23-G27 PolarHBondContact OG1-O 3.09Å
28L68.5Low68.4Low39 Ų3962.4 Ų62.420%0.20434%0.344CS..EExtended strand (participates in β ladder)trans-121.3122.4177.3-61.3-176.9000108.8I12 T22 F30 Y53I12-L28 HydrophobicContact CD1-CD2 3.46Å; I12-L28 VanDerWaalsContact CD1-CD2 3.46Å; T22-L28 HydrophobicContact CG2-CD2 3.59Å; L28-F30 HydrophobicContact CB-CD2 4.37Å; L28-F30 HydrophobicContact CB-CE1 4.38Å; L28-F30 HydrophobicContact CB-CE2 3.61Å; L28-F30 HydrophobicContact CB-CZ 3.64Å; L28-F30 HydrophobicContact CD1-CE1 4.42Å; L28-F30 HydrophobicContact CD1-CE2 4.25Å; L28-F30 HydrophobicContact CD1-CZ 3.6Å; L28-F30 HydrophobicContact CG-CZ 4.24Å; L28-Y53 HydrophobicContact CD1-CG 4.3Å
29I68.1Low68.4Low106 Ų10661.9 Ų61.954%0.54435%0.35SS..EExtended strand (participates in β ladder)trans-106107.9173.5-58.4174.7000106.7G20 I21 T23G20-I29 CarbonylContact C-O 3.48Å; G20-I29 WeakPolarHBondContact CA-O 3.48Å; I21-I29 PolarHBondContact N-O 2.76Å; I21-I29 PolarHBondContact O-N 2.96Å; T23-I29 HydrophobicContact CG2-CD1 3.55Å; T23-I29 HydrophobicContact CG2-CG1 3.81Å
30F75.6Confident68Low44 Ų4465.6 Ų65.619%0.19336%0.363CS..EExtended strand (participates in β ladder)trans-88.4145.9177.6-61-75.3000110.8F19 L28 P32 F37 F51F19-F30 AromaticContact CD1-CD1 3.53Å; F19-F30 HydrophobicContact CD1-CD1 3.53Å; F19-F30 AromaticContact CD1-CE1 3.59Å; F19-F30 HydrophobicContact CD1-CE1 3.59Å; F19-F30 AromaticContact CE1-CD1 3.32Å; F19-F30 HydrophobicContact CE1-CD1 3.32Å; F19-F30 AromaticContact CE1-CE1 3.22Å; F19-F30 HydrophobicContact CE1-CE1 3.22Å; F19-F30 HydrophobicContact CE1-CG 4.5Å; F19-F30 HydrophobicContact CE1-CZ 4.33Å; F19-F30 HydrophobicContact CG-CD1 4.44Å; F19-F30 HydrophobicContact CZ-CD1 4.07Å; F19-F30 HydrophobicContact CZ-CE1 4.24Å; L28-F30 HydrophobicContact CB-CD2 4.37Å; L28-F30 HydrophobicContact CB-CE1 4.38Å; L28-F30 HydrophobicContact CB-CE2 3.61Å; L28-F30 HydrophobicContact CB-CZ 3.64Å; L28-F30 HydrophobicContact CD1-CE1 4.42Å; L28-F30 HydrophobicContact CD1-CE2 4.25Å; L28-F30 HydrophobicContact CD1-CZ 3.6Å; L28-F30 HydrophobicContact CG-CZ 4.24Å; F30-P32 VanDerWaalsContact O-CD 3.23Å; F30-P32 WeakPolarHBondContact O-CD 3.25Å; F30-F37 HydrophobicContact CB-CE2 3.77Å; F30-F37 HydrophobicContact CB-CZ 3.7Å; F30-F37 HydrophobicContact CD1-CE2 4.5Å; F30-F37 HydrophobicContact CD1-CZ 4.04Å; F30-F37 HydrophobicContact CG-CE2 4.37Å; F30-F37 AromaticContact CG-CZ 3.88Å; F30-F37 HydrophobicContact CG-CZ 3.88Å; F30-F51 HydrophobicContact CB-CD2 4.49Å; F30-F51 HydrophobicContact CD2-CB 3.59Å; F30-F51 AromaticContact CD2-CD2 3.66Å; F30-F51 HydrophobicContact CD2-CD2 3.66Å; F30-F51 AromaticContact CD2-CG 3.91Å; F30-F51 HydrophobicContact CD2-CG 3.91Å; F30-F51 HydrophobicContact CE2-CB 3.49Å; F30-F51 VanDerWaalsContact CE2-CB 3.49Å; F30-F51 HydrophobicContact CE2-CD2 4.34Å; F30-F51 HydrophobicContact CE2-CG 4.13Å; F30-F51 HydrophobicContact CG-CD2 4.41Å
31N71.3Confident67.2Low71 Ų7169.6 Ų69.638%0.3839%0.386SS..  trans-75.2110.9169.4177.22.4000108.6F19 F33 H34 F37F19-N31 PolarHBondContact O-N 2.85Å; F19-N31 VanDerWaalsContact O-N 3.13Å; N31-F33 PolarHBondContact O-N 3.11Å; N31-F33 VanDerWaalsContact O-N 3.13Å; N31-F33 PolarHBondContact OD1-N 3.37Å; N31-H34 HydrophobicContact CB-CB 4.4Å; N31-H34 WeakPolarHBondContact O-CB 3.44Å; N31-H34 PolarHBondContact O-N 3.38Å; N31-F37 WeakPolarHBondContact O-CD2 3.34Å; N31-F37 WeakPolarHBondContact O-CE2 3.24Å
32P66.7Low66.5Low82 Ų8275 Ų7553%0.53241%0.41SS..THydrogen-bonded Turntrans-65-19.1-177.228.1-35.1000113F30F30-P32 VanDerWaalsContact O-CD 3.23Å; F30-P32 WeakPolarHBondContact O-CD 3.25Å
33F68.8Low65.6Low156 Ų15679.8 Ų79.868%0.68443%0.43SS*.THydrogen-bonded Turntrans-91.66.2177.4-53.5-72000113.2N31 L38N31-F33 PolarHBondContact O-N 3.11Å; N31-F33 VanDerWaalsContact O-N 3.13Å; N31-F33 PolarHBondContact OD1-N 3.37Å; F33-L38 VanDerWaalsContact O-CD1 3.24Å; F33-L38 WeakPolarHBondContact O-CD1 3.35Å
34H70Confident64.8Low13 Ų1384 Ų846%0.0646%0.456CS..SBendtrans-63.8142.4174.2-171.6-90.6000110.4E17 E18 F19 N31 E36 F37 L38E17-H34 IonicContact OE2-CE1 3.76Å; E17-H34 IonicContact OE2-NE2 3.38Å; E17-H34 PolarHBondContact OE2-NE2 3.04Å; E18-H34 PolarHBondContact O-CD2 2.87Å; F19-H34 AromaticContact CD2-CE1 3.65Å; F19-H34 AromaticContact CD2-CG 3.91Å; F19-H34 AromaticContact CD2-ND1 3.52Å; F19-H34 AromaticContact CE2-ND1 3.96Å; N31-H34 HydrophobicContact CB-CB 4.4Å; N31-H34 WeakPolarHBondContact O-CB 3.44Å; N31-H34 PolarHBondContact O-N 3.38Å; H34-E36 PolarHBondContact ND1-N 3.1Å; H34-E36 PolarHBondContact O-N 3.04Å; H34-F37 HydrophobicContact CB-CD2 3.77Å; H34-F37 HydrophobicContact CB-CE2 4.12Å; H34-F37 PolarHBondContact O-N 2.74Å; H34-L38 PolarHBondContact O-N 2.81Å; H34-L38 VanDerWaalsContact O-N 3.08Å
35K70.6Confident64.2Low125 Ų12587.4 Ų87.454%0.54347%0.469SS..Hα-helixtrans-53.7-32.5-173.170.3-170.3-172.5-159.50114.1E17 S39E17-K35 IonicContact OE1-NZ 2.99Å; E17-K35 PolarHBondContact OE1-NZ 2.85Å; E17-K35 WeakPolarHBondContact OE2-CD 3.43Å; E17-K35 WeakPolarHBondContact OE2-CE 3.18Å; E17-K35 IonicContact OE2-NZ 2.6Å; E17-K35 PolarHBondContact OE2-NZ 3.37Å; K35-S39 VanDerWaalsContact O-CB 3.27Å; K35-S39 WeakPolarHBondContact O-CB 3.24Å; K35-S39 PolarHBondContact O-N 3.13Å; K35-S39 PolarHBondContact O-OG 3.05Å; K35-S39 VanDerWaalsContact O-OG 3.1Å
36E69.9Low62.8Low68 Ų6886.6 Ų86.632%0.31845%0.452SS..Hα-helixtrans-69.3-31.4175.8-76.7-168.417000114.1F19 H34 S39 R40F19-E36 HydrophobicContact CE2-CB 4.24Å; F19-E36 WeakPolarHBondContact CE2-OE2 3.13Å; H34-E36 PolarHBondContact ND1-N 3.1Å; H34-E36 PolarHBondContact O-N 3.04Å; E36-S39 PolarHBondContact O-OG 2.96Å; E36-R40 VanDerWaalsContact O-CG 3.28Å; E36-R40 WeakPolarHBondContact O-CG 3.25Å
37F67.8Low61.6Low20 Ų2089.8 Ų89.89%0.08847%0.468CS..Hα-helixtrans-79.2-45.8174.6-61.1-65.6000109.5F19 F30 N31 H34 S39 R40 V41 F51F19-F37 HydrophobicContact CD2-CE2 4.24Å; F19-F37 HydrophobicContact CE1-CZ 4.19Å; F19-F37 AromaticContact CE2-CE2 3.67Å; F19-F37 HydrophobicContact CE2-CE2 3.67Å; F19-F37 AromaticContact CE2-CZ 3.66Å; F19-F37 HydrophobicContact CE2-CZ 3.66Å; F19-F37 HydrophobicContact CZ-CE1 4.25Å; F19-F37 AromaticContact CZ-CE2 3.92Å; F19-F37 HydrophobicContact CZ-CE2 3.92Å; F19-F37 AromaticContact CZ-CZ 3.44Å; F19-F37 HydrophobicContact CZ-CZ 3.44Å; F19-F37 VanDerWaalsContact CZ-CZ 3.44Å; F30-F37 HydrophobicContact CB-CE2 3.77Å; F30-F37 HydrophobicContact CB-CZ 3.7Å; F30-F37 HydrophobicContact CD1-CE2 4.5Å; F30-F37 HydrophobicContact CD1-CZ 4.04Å; F30-F37 HydrophobicContact CG-CE2 4.37Å; F30-F37 AromaticContact CG-CZ 3.88Å; F30-F37 HydrophobicContact CG-CZ 3.88Å; N31-F37 WeakPolarHBondContact O-CD2 3.34Å; N31-F37 WeakPolarHBondContact O-CE2 3.24Å; H34-F37 HydrophobicContact CB-CD2 3.77Å; H34-F37 HydrophobicContact CB-CE2 4.12Å; H34-F37 PolarHBondContact O-N 2.74Å; F37-S39 VanDerWaalsContact C-N 3.31Å; F37-S39 PolarHBondContact O-N 2.83Å; F37-R40 CarbonylContact O-C 3.59Å; F37-R40 WeakPolarHBondContact O-CA 3.33Å; F37-R40 WeakPolarHBondContact O-CB 3.42Å; F37-R40 PolarHBondContact O-N 2.85Å; F37-V41 WeakPolarHBondContact O-CG2 3.42Å; F37-V41 PolarHBondContact O-N 2.72Å; F37-F51 HydrophobicContact CE1-CE2 4.13Å; F37-F51 HydrophobicContact CE1-CZ 4.2Å
38L67.8Low60.4Low89 Ų8995 Ų9547%0.46650%0.498SS..Hα-helixtrans-58.1-41.5177.5-65.5178.5000112.4F33 H34 R40 V41F33-L38 VanDerWaalsContact O-CD1 3.24Å; F33-L38 WeakPolarHBondContact O-CD1 3.35Å; H34-L38 PolarHBondContact O-N 2.81Å; H34-L38 VanDerWaalsContact O-N 3.08Å; L38-R40 PolarHBondContact O-N 3.26Å; L38-V41 PolarHBondContact O-N 2.88Å; L38-V41 VanDerWaalsContact O-N 3.07Å
39S66.5Low58.8Low70 Ų7095.3 Ų95.349%0.4951%0.51SS..Hα-helixtrans-66.1-22.4176.166.90000113.6K35 E36 F37K35-S39 VanDerWaalsContact O-CB 3.27Å; K35-S39 WeakPolarHBondContact O-CB 3.24Å; K35-S39 PolarHBondContact O-N 3.13Å; K35-S39 PolarHBondContact O-OG 3.05Å; K35-S39 VanDerWaalsContact O-OG 3.1Å; E36-S39 PolarHBondContact O-OG 2.96Å; F37-S39 VanDerWaalsContact C-N 3.31Å; F37-S39 PolarHBondContact O-N 2.83Å
40R61Low57.4Low109 Ų10998.4 Ų98.441%0.41153%0.526SS..Hα-helixtrans-87.6-20.7172.2-67.5178.6-164.4179.48.4113E36 F37 L38 E42 Q43 F46E36-R40 VanDerWaalsContact O-CG 3.28Å; E36-R40 WeakPolarHBondContact O-CG 3.25Å; F37-R40 CarbonylContact O-C 3.59Å; F37-R40 WeakPolarHBondContact O-CA 3.33Å; F37-R40 WeakPolarHBondContact O-CB 3.42Å; F37-R40 PolarHBondContact O-N 2.85Å; L38-R40 PolarHBondContact O-N 3.26Å; R40-E42 VanDerWaalsContact C-N 3.29Å; R40-E42 PolarHBondContact O-N 3.47Å; R40-Q43 CarbonylContact O-C 3.53Å; R40-Q43 WeakPolarHBondContact O-CA 3.16Å; R40-Q43 VanDerWaalsContact O-CB 3.24Å; R40-Q43 WeakPolarHBondContact O-CB 3.28Å; R40-Q43 PolarHBondContact O-N 3.29Å; R40-Q43 VanDerWaalsContact O-O 3.07Å; R40-F46 HydrophobicContact CB-CD2 4.21Å; R40-F46 HydrophobicContact CB-CE2 3.62Å; R40-F46 HydrophobicContact CB-CZ 4.2Å; R40-F46 HydrophobicContact CG-CE2 4.5Å
41V56.7Low55.7Low86 Ų86100.8 Ų100.852%0.52154%0.536SS..Hα-helixtrans-68.4-30.7176.8177.50000111.2F37 L38 Q43F37-V41 WeakPolarHBondContact O-CG2 3.42Å; F37-V41 PolarHBondContact O-N 2.72Å; L38-V41 PolarHBondContact O-N 2.88Å; L38-V41 VanDerWaalsContact O-N 3.07Å; V41-Q43 PolarHBondContact O-N 3.2Å
42E57.7Low53.9Low175 Ų175101.1 Ų101.182%0.81855%0.549SS*.THydrogen-bonded Turntrans-60.3-23.9167.9-86.7-171.5163.900112.4R40 V44R40-E42 VanDerWaalsContact C-N 3.29Å; R40-E42 PolarHBondContact O-N 3.47Å; E42-V44 PolarHBondContact O-N 3.23Å; E42-V44 VanDerWaalsContact O-N 3.11Å
43Q51.2Low52.3Low138 Ų138103.6 Ų103.665%0.64555%0.548SS*.SBendtrans-8390.1170.2-54.5-179.5-8.200108.2R40 V41 N45R40-Q43 CarbonylContact O-C 3.53Å; R40-Q43 WeakPolarHBondContact O-CA 3.16Å; R40-Q43 VanDerWaalsContact O-CB 3.24Å; R40-Q43 WeakPolarHBondContact O-CB 3.28Å; R40-Q43 PolarHBondContact O-N 3.29Å; R40-Q43 VanDerWaalsContact O-O 3.07Å; V41-Q43 PolarHBondContact O-N 3.2Å; Q43-N45 PolarHBondContact O-N 3.46Å
44V47.5Very low50.8Low121 Ų121101.7 Ų101.773%0.73355%0.545SS*.SBendtrans-16114.7168.1-169.30000112.4E42E42-V44 PolarHBondContact O-N 3.23Å; E42-V44 VanDerWaalsContact O-N 3.11Å
45N46Very low49.2Very low149 Ų149105.3 Ų105.380%0.79757%0.57SS**  trans99.366.1175.1-46.7-45000117Q43Q43-N45 PolarHBondContact O-N 3.46Å
46F37.6Very low47.6Very low95 Ų95103.7 Ų103.742%0.41758%0.575SS.*  trans-105.1111.4154.9-101.4-93.4000110.3R40 F51R40-F46 HydrophobicContact CB-CD2 4.21Å; R40-F46 HydrophobicContact CB-CE2 3.62Å; R40-F46 HydrophobicContact CB-CZ 4.2Å; R40-F46 HydrophobicContact CG-CE2 4.5Å; F46-F51 HydrophobicContact CE1-CZ 4.24Å
47S40Very low46.1Very low104 Ų104106.2 Ų106.273%0.72760%0.597SS**  trans-80.5129.2163.7-177.10000108G49S47-G49 PolarHBondContact O-N 3.39Å
48P39.2Very low44.6Very low136 Ų136112.7 Ų112.788%0.88363%0.631SS**  trans-6793.7177.625-30.7000109.8
49G35.4Very low43Very low44 Ų44113 Ų11345%0.45464%0.641SS.*  trans-115.4135175.800000110.8S47 F51S47-G49 PolarHBondContact O-N 3.39Å; G49-F51 PolarHBondContact O-N 3.42Å
50I37.9Very low41.5Very low171 Ų171120 Ų12088%0.87766%0.662SS**  trans-64.3118.2175.4-63164000108.6A52I50-A52 PolarHBondContact O-N 3.24Å
51F40.1Very low40.2Very low95 Ų95119.2 Ų119.242%0.41767%0.673SS.*  trans-7886.8-178.9-57.6-80.8000111.1F30 F37 F46 G49 Y53F30-F51 HydrophobicContact CB-CD2 4.49Å; F30-F51 HydrophobicContact CD2-CB 3.59Å; F30-F51 AromaticContact CD2-CD2 3.66Å; F30-F51 HydrophobicContact CD2-CD2 3.66Å; F30-F51 AromaticContact CD2-CG 3.91Å; F30-F51 HydrophobicContact CD2-CG 3.91Å; F30-F51 HydrophobicContact CE2-CB 3.49Å; F30-F51 VanDerWaalsContact CE2-CB 3.49Å; F30-F51 HydrophobicContact CE2-CD2 4.34Å; F30-F51 HydrophobicContact CE2-CG 4.13Å; F30-F51 HydrophobicContact CG-CD2 4.41Å; F37-F51 HydrophobicContact CE1-CE2 4.13Å; F37-F51 HydrophobicContact CE1-CZ 4.2Å; F46-F51 HydrophobicContact CE1-CZ 4.24Å; G49-F51 PolarHBondContact O-N 3.42Å; F51-Y53 PolarHBondContact O-N 3.2Å
52A33.5Very low39Very low78 Ų78119 Ų11965%0.64569%0.689SS**  trans-80.1108.7168.200000109.8I50I50-A52 PolarHBondContact O-N 3.24Å
53Y33.9Very low37.8Very low133 Ų133115 Ų11552%0.52268%0.68SS.*  trans-78.9118.3165.6-170.3-95000108.1L28 F51 P55L28-Y53 HydrophobicContact CD1-CG 4.3Å; F51-Y53 PolarHBondContact O-N 3.2Å; Y53-P55 WeakPolarHBondContact O-CD 3.44Å
54N36.6Very low37Very low116 Ų116120.5 Ų120.562%0.6270%0.695SS**  trans-78.7108.6167.7-86.4-36.9000108.1S56N54-S56 PolarHBondContact O-N 3.36Å
55P37.2Very low36.4Very low89 Ų89123.9 Ų123.958%0.57870%0.7SS**  trans-62.4102.9168.626.5-32000107.6Y53Y53-P55 WeakPolarHBondContact O-CD 3.44Å
56S35.4Very low35.9Very low92 Ų92122.7 Ų122.764%0.64370%0.698SS**  trans-53136.1167.2-69.60000108.1N54 I58N54-S56 PolarHBondContact O-N 3.36Å; S56-I58 PolarHBondContact O-N 3.48Å
57P38.5Very low35.6Very low120 Ų120124.6 Ų124.678%0.77972%0.717SS**  trans-55.8116.4-178.820.5-30.4000107.9S59P57-S59 PolarHBondContact O-N 3.05Å
58I36.5Very low35.4Very low156 Ų156125.3 Ų125.380%0.872%0.719SS**  trans-63.986.3172-63.6168.7000105.2S56 K60S56-I58 PolarHBondContact O-N 3.48Å; I58-K60 PolarHBondContact O-N 3.43Å; I58-K60 VanDerWaalsContact O-N 3.12Å
59S33.7Very low35.2Very low97 Ų97125.6 Ų125.668%0.67871%0.714SS**  trans-61.3116.9166.655.20000105.5P57 S61P57-S59 PolarHBondContact O-N 3.05Å; S59-S61 PolarHBondContact O-N 3.44Å
60K35.7Very low35.2Very low215 Ų215133.9 Ų133.994%0.93573%0.731SS**  trans-66.425.5180-70.5-179.5173177.10113I58I58-K60 PolarHBondContact O-N 3.43Å; I58-K60 VanDerWaalsContact O-N 3.12Å
61S34.2Very low35.3Very low93 Ų93133 Ų13365%0.6573%0.726SS**  trans-110.3105.4-174.1-165.50000110.3S59 S63S59-S61 PolarHBondContact O-N 3.44Å; S61-S63 PolarHBondContact O-N 3.33Å
62G30.8Very low34.9Very low82 Ų82137.6 Ų137.685%0.84575%0.746SS**  trans-62.498.3168.500000110.6
63S33.5Very low35.1Very low90 Ų90139.4 Ų139.463%0.62975%0.75SS**  trans-141.777.1160.7-169.90000108.9S61 K65S61-S63 PolarHBondContact O-N 3.33Å; S63-K65 PolarHBondContact O-N 2.94Å
64R34.4Very low35.2Very low255 Ų255138.3 Ų138.396%0.96276%0.759SS**THydrogen-bonded Turntrans-80.835.4-170.7-157.7-169.9-102.9-168.1-5.2113.3
65K34.6Very low35.2Very low192 Ų192142.6 Ų142.684%0.83577%0.772SS**THydrogen-bonded Turntrans-122.6-13.1-171.2-75.7-167.9175.3-177.20118.5S63S63-K65 PolarHBondContact O-N 2.94Å
66T34.4Very low35Very low124 Ų124145.3 Ų145.376%0.76178%0.781SS**  trans-154.981.6-178.6560000111.7
67T32.3Very low34.8Very low134 Ų134148.5 Ų148.582%0.82279%0.79SS**  trans-141.4119.8158.2-2.20000109.5
68P36.2Very low34.7Very low119 Ų119146.8 Ų146.877%0.77378%0.781SS**  trans-69.3141.4-167.228.2-34.2000111.4R70P68-R70 PolarHBondContact O-N 3.46Å
69N34Very low34.8Very low142 Ų142144.7 Ų144.776%0.75978%0.777SS**  trans6.895.7164.3-76.1-43.2000116I71N69-I71 PolarHBondContact O-N 2.83Å
70R36.2Very low35Very low219 Ų219146.1 Ų146.183%0.82678%0.777SS**THydrogen-bonded Turntrans-54.211.5175.3-157.5177.9-178.8-177.5-1.6116.1P68P68-R70 PolarHBondContact O-N 3.46Å
71I39.3Very low35.2Very low151 Ų151142.8 Ų142.877%0.77477%0.768SS**THydrogen-bonded Turntrans-103.3-6.1-167.1-54.2175.8000112.7N69N69-I71 PolarHBondContact O-N 2.83Å
72K33Very low35.4Very low192 Ų192145.6 Ų145.684%0.83577%0.771SS**  trans-121.621.7-168.9-77.6-168.6176.9-174.50117.4P74K72-P74 WeakPolarHBondContact O-CD 3.43Å
73T36.4Very low35.7Very low116 Ų116144.2 Ų144.271%0.71276%0.756SS**  trans-89.3107.4165.141.80000109.4F75T73-F75 PolarHBondContact O-N 2.93Å
74P35.7Very low36.2Very low111 Ų111148.6 Ų148.672%0.72177%0.767SS**  trans-59129.9170.725-31.9000108.5K72 I76K72-P74 WeakPolarHBondContact O-CD 3.43Å; P74-I76 PolarHBondContact O-N 3.03Å; P74-I76 VanDerWaalsContact O-N 3.16Å
75F36.1Very low36.6Very low205 Ų205143.8 Ų143.890%0.89976%0.759SS**  trans-54.6118.4-179.5-59.9-90.6000109.6T73 L77T73-F75 PolarHBondContact O-N 2.93Å; F75-L77 PolarHBondContact O-N 3.02Å
76I34.8Very low36.9Very low147 Ų147142.3 Ų142.375%0.75475%0.753SS**  trans-82105.9174.4-61.3170.9000106.3P74 S78P74-I76 PolarHBondContact O-N 3.03Å; P74-I76 VanDerWaalsContact O-N 3.16Å; I76-S78 PolarHBondContact O-N 2.81Å
77L30.8Very low37.5Very low159 Ų159140.9 Ų140.983%0.83275%0.746SS**  trans-54.9118.3162.5-68164000106.4F75 P79F75-L77 PolarHBondContact O-N 3.02Å; L77-P79 VanDerWaalsContact O-CD 3.25Å; L77-P79 WeakPolarHBondContact O-CD 3.37Å
78S35.7Very low38.1Very low84 Ų84140.5 Ų140.559%0.58774%0.743SS**  trans-93.9100.2171.6-59.70000107I76 D80I76-S78 PolarHBondContact O-N 2.81Å; S78-D80 PolarHBondContact O-N 2.92Å
79P39.2Very low38.6Very low112 Ų112142 Ų14273%0.72774%0.744SS**  trans-92.674.8177.832-17.4000107.5L77L77-P79 VanDerWaalsContact O-CD 3.25Å; L77-P79 WeakPolarHBondContact O-CD 3.37Å
80D38.3Very low39.4Very low127 Ų127141.4 Ų141.468%0.67974%0.74SS**  trans-163.426.4175.8-95.5-28.2000114.6S78 Q82S78-D80 PolarHBondContact O-N 2.92Å; D80-Q82 PolarHBondContact O-N 3.46Å
81I39.7Very low40.3Very low144 Ų144137.8 Ų137.874%0.73874%0.737SS**  trans-79.577.8161.7-47.3176.4000106.7G83 L85I81-G83 PolarHBondContact O-N 3.38Å; I81-G83 VanDerWaalsContact O-N 3.11Å; I81-L85 HydrophobicContact CG2-CD1 4.33Å
82Q38Very low41.3Very low153 Ų153137 Ų13772%0.71573%0.73SS**  trans-54110.2170.5-66.5173.9-900108.5D80 E84D80-Q82 PolarHBondContact O-N 3.46Å; Q82-E84 PolarHBondContact O-N 3.44Å
83G36.5Very low42.7Very low52 Ų52131 Ų13154%0.53671%0.707SS.*SBendtrans52.6-0.8138.100000122.4I81 F86I81-G83 PolarHBondContact O-N 3.38Å; I81-G83 VanDerWaalsContact O-N 3.11Å; G83-F86 WeakPolarHBondContact O-CD2 3.27Å; G83-F86 VanDerWaalsContact O-CE2 3.29Å; G83-F86 WeakPolarHBondContact O-CE2 3.31Å
84E44.2Very low44.2Very low183 Ų183129.5 Ų129.586%0.85570%0.7SS**  trans-97.4-10.9-174.9-69.9-166.7175.400114Q82Q82-E84 PolarHBondContact O-N 3.44Å
85L43Very low46Very low153 Ų153128.9 Ų128.980%0.80169%0.694SS**  trans-10247.8174.5-68.1165.7000110.6I81 P87I81-L85 HydrophobicContact CG2-CD1 4.33Å; L85-P87 WeakPolarHBondContact O-CD 3.44Å
86F40.7Very low47.2Very low162 Ų162124.6 Ų124.671%0.71168%0.679SS**SBendtrans-66.6126.3152.9-73-77.6000105.9G83 V88G83-F86 WeakPolarHBondContact O-CD2 3.27Å; G83-F86 VanDerWaalsContact O-CE2 3.29Å; G83-F86 WeakPolarHBondContact O-CE2 3.31Å; F86-V88 PolarHBondContact O-N 3.35Å
87P46.6Very low48.8Very low93 Ų93122.2 Ų122.260%0.60467%0.665SS**  trans-51.4109.7174.1-23.332.4000107.9L85 D89 I90L85-P87 WeakPolarHBondContact O-CD 3.44Å; P87-D89 PolarHBondContact O-N 2.83Å; P87-D89 VanDerWaalsContact O-N 3.11Å; P87-I90 HydrophobicContact CB-CD1 4.18Å; P87-I90 HydrophobicContact CB-CG1 3.8Å
88V45.3Very low50.6Low127 Ų127120.6 Ų120.677%0.7766%0.657SS**THydrogen-bonded Turntrans-40.4118.7165168.70000106F86 I90F86-V88 PolarHBondContact O-N 3.35Å; V88-I90 PolarHBondContact O-N 3.16Å; V88-I90 VanDerWaalsContact O-N 3.09Å
89D47Very low52.3Low149 Ų149122.1 Ų122.180%0.79765%0.653SS**THydrogen-bonded Turntrans22.480.5168.5-54.8-39.4000111.4P87 D91P87-D89 PolarHBondContact O-N 2.83Å; P87-D89 VanDerWaalsContact O-N 3.11Å; D89-D91 PolarHBondContact O-N 3.4Å
90I51.4Low53.5Low130 Ų130121.7 Ų121.767%0.66764%0.644SS**  trans-55.9101.3166.7-54.6173.9000103P87 V88 E92P87-I90 HydrophobicContact CB-CD1 4.18Å; P87-I90 HydrophobicContact CB-CG1 3.8Å; V88-I90 PolarHBondContact O-N 3.16Å; V88-I90 VanDerWaalsContact O-N 3.09Å; I90-E92 WeakPolarHBondContact O-CA 3.17Å; I90-E92 PolarHBondContact O-N 3.02Å
91D54.6Low54.9Low143 Ų143121.6 Ų121.677%0.76564%0.639SS**  trans-55.1101.5175.4-175.213.9000103.8D89 N93D89-D91 PolarHBondContact O-N 3.4Å; D91-N93 PolarHBondContact O-N 3.49Å
92E60.2Low56.3Low135 Ų135121.6 Ų121.663%0.63164%0.636SS**  trans-76.576.6-165.6-145.8-174.7-174.400104.3I90 P94 Q97I90-E92 WeakPolarHBondContact O-CA 3.17Å; I90-E92 PolarHBondContact O-N 3.02Å; E92-P94 WeakPolarHBondContact O-CD 3.16Å; E92-Q97 PolarHBondContact OE1-NE2 3.46Å
93N63.5Low57.6Low66 Ų66122.1 Ų122.135%0.35364%0.636SS.*  trans-67.1109.5-171-176.8-30.5000106.3D91 V95 L96 Q97D91-N93 PolarHBondContact O-N 3.49Å; N93-V95 PolarHBondContact O-N 2.87Å; N93-V95 VanDerWaalsContact OD1-CB 3.27Å; N93-V95 WeakPolarHBondContact OD1-CB 3.46Å; N93-V95 PolarHBondContact OD1-N 3.07Å; N93-V95 VanDerWaalsContact OD1-N 3.08Å; N93-L96 HydrophobicContact CB-CB 4.23Å; N93-L96 HydrophobicContact CB-CD1 4.04Å; N93-L96 HydrophobicContact CB-CG 4.05Å; N93-L96 PolarHBondContact O-N 3.47Å; N93-Q97 PolarHBondContact O-N 3.48Å; N93-Q97 VanDerWaalsContact O-N 3.1Å
94P66.7Low58.7Low85 Ų85124.8 Ų124.855%0.55264%0.637SS**Hα-helixtrans-61.7-25.8-171.923-31.3000111.1E92 Q97 L98E92-P94 WeakPolarHBondContact O-CD 3.16Å; P94-Q97 PolarHBondContact O-N 3.2Å; P94-L98 WeakPolarHBondContact O-CB 3.41Å; P94-L98 WeakPolarHBondContact O-CG 3.14Å; P94-L98 PolarHBondContact O-N 3.43Å
95V73.8Confident59.6Low98 Ų98119.9 Ų119.959%0.59462%0.617SS**Hα-helixtrans-67-42175.1-1750000111.5N93 Q97 K99N93-V95 PolarHBondContact O-N 2.87Å; N93-V95 VanDerWaalsContact OD1-CB 3.27Å; N93-V95 WeakPolarHBondContact OD1-CB 3.46Å; N93-V95 PolarHBondContact OD1-N 3.07Å; N93-V95 VanDerWaalsContact OD1-N 3.08Å; V95-Q97 VanDerWaalsContact C-N 3.32Å; V95-K99 VanDerWaalsContact O-CB 3.3Å; V95-K99 WeakPolarHBondContact O-CB 3.12Å; V95-K99 PolarHBondContact O-N 3.23Å
96L62.2Low60.1Low114 Ų114116.2 Ų116.260%0.59760%0.601SS**Hα-helixtrans-69.5-34.8177.1-67.2-179.4000111.2N93 K99 L100N93-L96 HydrophobicContact CB-CB 4.23Å; N93-L96 HydrophobicContact CB-CD1 4.04Å; N93-L96 HydrophobicContact CB-CG 4.05Å; N93-L96 PolarHBondContact O-N 3.47Å; L96-K99 PolarHBondContact O-N 2.87Å; L96-L100 WeakPolarHBondContact O-CB 3.31Å; L96-L100 PolarHBondContact O-N 2.88Å
97Q67.4Low60.9Low97 Ų97115.8 Ų115.845%0.45360%0.601SS.*Hα-helixtrans-68.7-43.9177.4-146.2169.527.500111.5E92 N93 P94 V95 K99 L100 Q101E92-Q97 PolarHBondContact OE1-NE2 3.46Å; N93-Q97 PolarHBondContact O-N 3.48Å; N93-Q97 VanDerWaalsContact O-N 3.1Å; P94-Q97 PolarHBondContact O-N 3.2Å; V95-Q97 VanDerWaalsContact C-N 3.32Å; Q97-K99 VanDerWaalsContact C-N 3.34Å; Q97-K99 PolarHBondContact O-N 3.12Å; Q97-L100 PolarHBondContact O-N 2.8Å; Q97-Q101 WeakPolarHBondContact O-CB 3.24Å; Q97-Q101 PolarHBondContact O-N 2.94Å
98L69.5Low61.3Low126 Ų126116.3 Ų116.366%0.6661%0.606SS**Hα-helixtrans-60.4-43.2171.8-76.8170.2000111.7P94 L100 Q101 E102P94-L98 WeakPolarHBondContact O-CB 3.41Å; P94-L98 WeakPolarHBondContact O-CG 3.14Å; P94-L98 PolarHBondContact O-N 3.43Å; L98-L100 VanDerWaalsContact C-N 3.34Å; L98-L100 PolarHBondContact O-N 3.26Å; L98-Q101 PolarHBondContact O-N 3.11Å; L98-E102 WeakPolarHBondContact O-CB 3.14Å; L98-E102 PolarHBondContact O-N 2.81Å
99K70.9Confident62.2Low116 Ų116114 Ų11450%0.50459%0.59SS.*Hα-helixtrans-68.4-33.7178.3-163.5170.5-168.3168.90112.7V95 L96 Q97 K103V95-K99 VanDerWaalsContact O-CB 3.3Å; V95-K99 WeakPolarHBondContact O-CB 3.12Å; V95-K99 PolarHBondContact O-N 3.23Å; L96-K99 PolarHBondContact O-N 2.87Å; Q97-K99 VanDerWaalsContact C-N 3.34Å; Q97-K99 PolarHBondContact O-N 3.12Å; K99-K103 WeakPolarHBondContact O-CB 3.08Å; K99-K103 WeakPolarHBondContact O-CG 3.23Å; K99-K103 PolarHBondContact O-N 3.07Å
100L64.6Low63.2Low103 Ų103112.9 Ų112.954%0.53958%0.583SS.*Hα-helixtrans-68.8-42.9172.4-16483.1000110.1L96 Q97 L98 K103 L104L96-L100 WeakPolarHBondContact O-CB 3.31Å; L96-L100 PolarHBondContact O-N 2.88Å; Q97-L100 PolarHBondContact O-N 2.8Å; L98-L100 VanDerWaalsContact C-N 3.34Å; L98-L100 PolarHBondContact O-N 3.26Å; L100-K103 CarbonylContact O-C 3.41Å; L100-K103 PolarHBondContact O-N 3.12Å; L100-L104 HydrophobicContact CD2-CD1 3.97Å; L100-L104 HydrophobicContact CG-CD1 3.88Å; L100-L104 HydrophobicContact CG-CG 4.31Å; L100-L104 VanDerWaalsContact O-CB 3.28Å; L100-L104 WeakPolarHBondContact O-CB 2.84Å; L100-L104 WeakPolarHBondContact O-CG 3.47Å; L100-L104 PolarHBondContact O-N 3.17Å
101Q66.8Low64.1Low124 Ų124113.5 Ų113.558%0.57958%0.583SS**Hα-helixtrans-63-41.7177.2-173.56066.100111.7Q97 L98 L104 D105Q97-Q101 WeakPolarHBondContact O-CB 3.24Å; Q97-Q101 PolarHBondContact O-N 2.94Å; L98-Q101 PolarHBondContact O-N 3.11Å; Q101-L104 CarbonylContact O-C 3.53Å; Q101-L104 PolarHBondContact O-N 2.94Å; Q101-D105 WeakPolarHBondContact O-CB 3.43Å; Q101-D105 PolarHBondContact O-N 3.17Å
102E69.6Low64.7Low144 Ų144110.2 Ų110.267%0.67357%0.565SS**Hα-helixtrans-61.1-44.4173.2-175.9-175.4-16900111.1L98 D105L98-E102 WeakPolarHBondContact O-CB 3.14Å; L98-E102 PolarHBondContact O-N 2.81Å; E102-D105 WeakPolarHBondContact O-CB 3.48Å; E102-D105 PolarHBondContact O-N 3.45Å
103K64.8Low65Low164 Ų164106.4 Ų106.471%0.71355%0.547SS*.Hα-helixtrans-69.3-30.5176-77.7-176.8172.6-164.50114.2K99 L100 D105K99-K103 WeakPolarHBondContact O-CB 3.08Å; K99-K103 WeakPolarHBondContact O-CG 3.23Å; K99-K103 PolarHBondContact O-N 3.07Å; L100-K103 CarbonylContact O-C 3.41Å; L100-K103 PolarHBondContact O-N 3.12Å; K103-D105 VanDerWaalsContact C-N 3.33Å
104L60.8Low65.5Low108 Ų108108.5 Ų108.557%0.56556%0.558SS**Hα-helixtrans-86.7-7.7177.2-70.1176000112L100 Q101 T106L100-L104 HydrophobicContact CD2-CD1 3.97Å; L100-L104 HydrophobicContact CG-CD1 3.88Å; L100-L104 HydrophobicContact CG-CG 4.31Å; L100-L104 VanDerWaalsContact O-CB 3.28Å; L100-L104 WeakPolarHBondContact O-CB 2.84Å; L100-L104 WeakPolarHBondContact O-CG 3.47Å; L100-L104 PolarHBondContact O-N 3.17Å; Q101-L104 CarbonylContact O-C 3.53Å; Q101-L104 PolarHBondContact O-N 2.94Å; L104-T106 PolarHBondContact O-N 3.4Å
105D61.6Low65.8Low80 Ų80113.3 Ų113.343%0.42857%0.566SS.*  trans-71.283.3174.6-165.52000109.5Q101 E102 K103 Q107 C108Q101-D105 WeakPolarHBondContact O-CB 3.43Å; Q101-D105 PolarHBondContact O-N 3.17Å; E102-D105 WeakPolarHBondContact O-CB 3.48Å; E102-D105 PolarHBondContact O-N 3.45Å; K103-D105 VanDerWaalsContact C-N 3.33Å; D105-Q107 PolarHBondContact O-N 2.93Å; D105-Q107 WeakPolarHBondContact OD1-CB 3.33Å; D105-Q107 PolarHBondContact OD1-N 3.02Å; D105-C108 PolarHBondContact O-N 2.97Å
106T54.4Low65.6Low76 Ų76111.9 Ų111.947%0.46655%0.554SS.*THydrogen-bonded Turntrans-58.3-5.217752.60000114.3L104 C108 Q113L104-T106 PolarHBondContact O-N 3.4Å; T106-C108 VanDerWaalsContact C-N 3.3Å; T106-Q113 PolarHBondContact O-NE2 2.64Å
107Q56.4Low66Low154 Ų154112.2 Ų112.272%0.7255%0.552SS**THydrogen-bonded Turntrans-74.3-18.2170.7-65.1-70.6-38.800112.7D105D105-Q107 PolarHBondContact O-N 2.93Å; D105-Q107 WeakPolarHBondContact OD1-CB 3.33Å; D105-Q107 PolarHBondContact OD1-N 3.02Å
108C56.1Low66.4Low103 Ų103111.1 Ų111.170%0.69656%0.555SS**SBendtrans-87.4-23.9-172.8-148.50000114.2D105 T106D105-C108 PolarHBondContact O-N 2.97Å; T106-C108 VanDerWaalsContact C-N 3.3Å
109D63.8Low66.5Low80 Ų80110.1 Ų110.143%0.42855%0.546SS..  trans-105.785.3-177.6-74.8-30.1000111E111 I112 Q113D109-E111 PolarHBondContact O-N 3.41Å; D109-I112 HydrophobicContact CB-CB 3.81Å; D109-I112 HydrophobicContact CB-CD1 3.72Å; D109-I112 HydrophobicContact CB-CG1 3.64Å; D109-I112 PolarHBondContact O-N 3.29Å; D109-I112 VanDerWaalsContact OD2-CD1 3.25Å; D109-I112 WeakPolarHBondContact OD2-CD1 3.39Å; D109-Q113 PolarHBondContact O-N 2.89Å
110D67.8Low66.4Low124 Ų124109.7 Ų109.766%0.66354%0.544SS*.Hα-helixtrans-47.2-31.3165.1-76.4-30.3000111.2N114D110-N114 WeakPolarHBondContact O-CB 3.19Å; D110-N114 PolarHBondContact O-N 3.18Å; D110-N114 PolarHBondContact O-ND2 3.33Å
111E70.5Confident66.6Low143 Ų143113.5 Ų113.567%0.66856%0.556SS**Hα-helixtrans-69.2-40.1177-158176.4-169.600113D109 R115D109-E111 PolarHBondContact O-N 3.41Å; E111-R115 PolarHBondContact O-N 3.18Å
112I67.4Low66.6Low74 Ų74111.3 Ų111.338%0.37956%0.555SS.*Hα-helixtrans-70-44.4174.5-66.3178000109.7D109 N114 R115 I116D109-I112 HydrophobicContact CB-CB 3.81Å; D109-I112 HydrophobicContact CB-CD1 3.72Å; D109-I112 HydrophobicContact CB-CG1 3.64Å; D109-I112 PolarHBondContact O-N 3.29Å; D109-I112 VanDerWaalsContact OD2-CD1 3.25Å; D109-I112 WeakPolarHBondContact OD2-CD1 3.39Å; I112-N114 VanDerWaalsContact C-N 3.29Å; I112-N114 PolarHBondContact O-N 3.45Å; I112-R115 WeakPolarHBondContact O-CB 3.2Å; I112-R115 PolarHBondContact O-N 3.06Å; I112-R115 VanDerWaalsContact O-N 3.11Å; I112-I116 HydrophobicContact CG2-CD1 3.76Å; I112-I116 HydrophobicContact CG2-CG1 4.26Å; I112-I116 VanDerWaalsContact O-CG1 3.31Å; I112-I116 WeakPolarHBondContact O-CG1 3.15Å; I112-I116 PolarHBondContact O-N 2.88Å
113Q67.5Low66Low56 Ų56109.2 Ų109.226%0.26255%0.545SS..Hα-helixtrans-58.7-43.7175.6-69-63.6-16.300111T106 D109 R115 I116 H117T106-Q113 PolarHBondContact O-NE2 2.64Å; D109-Q113 PolarHBondContact O-N 2.89Å; Q113-R115 PolarHBondContact O-N 3Å; Q113-I116 PolarHBondContact O-N 3.08Å; Q113-H117 WeakPolarHBondContact O-CB 3.47Å; Q113-H117 PolarHBondContact O-CD2 3.17Å; Q113-H117 PolarHBondContact O-N 3.06Å
114N74Confident65.6Low110 Ų110109 Ų10959%0.58855%0.551SS**Hα-helixtrans-64.3-37.6175-78.4-38000112.6D110 I112 S118D110-N114 WeakPolarHBondContact O-CB 3.19Å; D110-N114 PolarHBondContact O-N 3.18Å; D110-N114 PolarHBondContact O-ND2 3.33Å; I112-N114 VanDerWaalsContact C-N 3.29Å; I112-N114 PolarHBondContact O-N 3.45Å; N114-S118 WeakPolarHBondContact O-CB 3.46Å; N114-S118 PolarHBondContact O-N 3.15Å
115R73Confident65.3Low186 Ų186109 Ų10970%0.70255%0.55SS*.Hα-helixtrans-64.6-43.6172.9-85.6-177.4174.7-160.80.5112.3E111 I112 Q113 S118 F119E111-R115 PolarHBondContact O-N 3.18Å; I112-R115 WeakPolarHBondContact O-CB 3.2Å; I112-R115 PolarHBondContact O-N 3.06Å; I112-R115 VanDerWaalsContact O-N 3.11Å; Q113-R115 PolarHBondContact O-N 3Å; R115-S118 PolarHBondContact O-N 3.11Å; R115-F119 VanDerWaalsContact O-CB 3.31Å; R115-F119 WeakPolarHBondContact O-CB 3.33Å; R115-F119 PolarHBondContact O-N 2.73Å
116I68.4Low64.6Low67 Ų67108.8 Ų108.834%0.34456%0.559SS.*Hα-helixtrans-62.7-47.9176.8-68.3170.1000109.8I112 Q113 S118 F119 F120I112-I116 HydrophobicContact CG2-CD1 3.76Å; I112-I116 HydrophobicContact CG2-CG1 4.26Å; I112-I116 VanDerWaalsContact O-CG1 3.31Å; I112-I116 WeakPolarHBondContact O-CG1 3.15Å; I112-I116 PolarHBondContact O-N 2.88Å; Q113-I116 PolarHBondContact O-N 3.08Å; I116-S118 PolarHBondContact O-N 3.15Å; I116-F119 WeakPolarHBondContact O-CB 3.19Å; I116-F119 PolarHBondContact O-N 3.05Å; I116-F120 HydrophobicContact CG2-CD2 3.63Å; I116-F120 HydrophobicContact CG2-CE2 3.38Å; I116-F120 WeakPolarHBondContact O-CD2 3.42Å; I116-F120 PolarHBondContact O-N 3.35Å
117H70.4Confident64Low122 Ų122110.2 Ų110.257%0.56557%0.57SS**Hα-helixtrans-61.3-42.2175.5-82.2-61.8000112.4Q113 F119 F120 K121Q113-H117 WeakPolarHBondContact O-CB 3.47Å; Q113-H117 PolarHBondContact O-CD2 3.17Å; Q113-H117 PolarHBondContact O-N 3.06Å; H117-F119 VanDerWaalsContact C-N 3.34Å; H117-F120 PolarHBondContact O-N 3.19Å; H117-K121 WeakPolarHBondContact O-CB 3.29Å; H117-K121 PolarHBondContact O-N 3.25Å
118S75.3Confident63.1Low74 Ų74107.7 Ų107.752%0.51757%0.569SS.*Hα-helixtrans-65.9-38.2176.6-166.50000111.6N114 R115 I116 K121 S122N114-S118 WeakPolarHBondContact O-CB 3.46Å; N114-S118 PolarHBondContact O-N 3.15Å; R115-S118 PolarHBondContact O-N 3.11Å; I116-S118 PolarHBondContact O-N 3.15Å; S118-K121 PolarHBondContact O-N 2.97Å; S118-S122 WeakPolarHBondContact O-CB 3.08Å; S118-S122 PolarHBondContact O-N 2.89Å; S118-S122 PolarHBondContact O-OG 2.82Å
119F72.1Confident62.5Low104 Ų104108.5 Ų108.546%0.45657%0.573SS.*Hα-helixtrans-60.2-53.8173.8-179.5-95.8000110.9R115 I116 H117 K121 S122 H123R115-F119 VanDerWaalsContact O-CB 3.31Å; R115-F119 WeakPolarHBondContact O-CB 3.33Å; R115-F119 PolarHBondContact O-N 2.73Å; I116-F119 WeakPolarHBondContact O-CB 3.19Å; I116-F119 PolarHBondContact O-N 3.05Å; H117-F119 VanDerWaalsContact C-N 3.34Å; F119-K121 VanDerWaalsContact C-N 3.27Å; F119-K121 PolarHBondContact O-N 2.84Å; F119-S122 PolarHBondContact O-N 2.98Å; F119-S122 PolarHBondContact O-OG 3.08Å; F119-S122 VanDerWaalsContact O-OG 3.07Å; F119-H123 AromaticContact CD2-CE1 3.59Å; F119-H123 AromaticContact CD2-ND1 3.51Å; F119-H123 HydrophobicContact CE1-CB 4.46Å; F119-H123 AromaticContact CE2-CD2 3.77Å; F119-H123 AromaticContact CE2-CE1 3.5Å; F119-H123 AromaticContact CE2-CG 3.77Å; F119-H123 AromaticContact CE2-ND1 3.6Å; F119-H123 AromaticContact CE2-NE2 3.61Å; F119-H123 HydrophobicContact CZ-CB 4.43Å; F119-H123 AromaticContact CZ-CD2 3.97Å; F119-H123 AromaticContact CZ-CG 3.93Å; F119-H123 VanDerWaalsContact O-CB 3.24Å; F119-H123 WeakPolarHBondContact O-CB 3.32Å; F119-H123 PolarHBondContact O-N 3.39Å; F119-H123 PolarHBondContact O-ND1 3.04Å
120F68.5Low61.3Low108 Ų108111.3 Ų111.347%0.47459%0.588SS.*Hα-helixtrans-69.5-21.8178.9-67.9-58.7000114.1I116 H117 H123 I125I116-F120 HydrophobicContact CG2-CD2 3.63Å; I116-F120 HydrophobicContact CG2-CE2 3.38Å; I116-F120 WeakPolarHBondContact O-CD2 3.42Å; I116-F120 PolarHBondContact O-N 3.35Å; H117-F120 PolarHBondContact O-N 3.19Å; F120-H123 CarbonylContact C-O 3.53Å; F120-I125 HydrophobicContact CD1-CD1 3.29Å; F120-I125 HydrophobicContact CD1-CG1 4.08Å; F120-I125 HydrophobicContact CE1-CD1 3.32Å; F120-I125 HydrophobicContact CE1-CG1 4.5Å
121K70.2Confident60.1Low182 Ų182111.7 Ų111.779%0.79160%0.595SS**Hα-helixtrans-77.8-37.2173.7-173.7176.2179.6-179.50112.4H117 S118 F119H117-K121 WeakPolarHBondContact O-CB 3.29Å; H117-K121 PolarHBondContact O-N 3.25Å; S118-K121 PolarHBondContact O-N 2.97Å; F119-K121 VanDerWaalsContact C-N 3.27Å; F119-K121 PolarHBondContact O-N 2.84Å
122S65.8Low58.6Low79 Ų79109.7 Ų109.755%0.55259%0.592SS**Hα-helixtrans-85.2-33.9-179.954.90000112.9S118 F119 L124S118-S122 WeakPolarHBondContact O-CB 3.08Å; S118-S122 PolarHBondContact O-N 2.89Å; S118-S122 PolarHBondContact O-OG 2.82Å; F119-S122 PolarHBondContact O-N 2.98Å; F119-S122 PolarHBondContact O-OG 3.08Å; F119-S122 VanDerWaalsContact O-OG 3.07Å; S122-L124 PolarHBondContact O-N 3.13Å
123H58Low57.3Low99 Ų99111.8 Ų111.846%0.45861%0.608SS.*THydrogen-bonded Turntrans-94.697173-61.266.8000105.7F119 F120 I125F119-H123 AromaticContact CD2-CE1 3.59Å; F119-H123 AromaticContact CD2-ND1 3.51Å; F119-H123 HydrophobicContact CE1-CB 4.46Å; F119-H123 AromaticContact CE2-CD2 3.77Å; F119-H123 AromaticContact CE2-CE1 3.5Å; F119-H123 AromaticContact CE2-CG 3.77Å; F119-H123 AromaticContact CE2-ND1 3.6Å; F119-H123 AromaticContact CE2-NE2 3.61Å; F119-H123 HydrophobicContact CZ-CB 4.43Å; F119-H123 AromaticContact CZ-CD2 3.97Å; F119-H123 AromaticContact CZ-CG 3.93Å; F119-H123 VanDerWaalsContact O-CB 3.24Å; F119-H123 WeakPolarHBondContact O-CB 3.32Å; F119-H123 PolarHBondContact O-N 3.39Å; F119-H123 PolarHBondContact O-ND1 3.04Å; F120-H123 CarbonylContact C-O 3.53Å; H123-I125 PolarHBondContact O-N 3.24Å
124L56.6Low55.9Low160 Ų160116.2 Ų116.284%0.83863%0.627SS**THydrogen-bonded Turntrans-55.885.4168.7-72.1166000108.4S122 A126S122-L124 PolarHBondContact O-N 3.13Å; L124-A126 VanDerWaalsContact C-N 3.35Å; L124-A126 PolarHBondContact O-N 2.99Å; L124-A126 VanDerWaalsContact O-N 3.09Å
125I54.5Low53.9Low108 Ų108118 Ų11855%0.55464%0.637SS**  trans-61.8113.2151.5-60.4-168.9000102.4F120 H123 P127F120-I125 HydrophobicContact CD1-CD1 3.29Å; F120-I125 HydrophobicContact CD1-CG1 4.08Å; F120-I125 HydrophobicContact CE1-CD1 3.32Å; F120-I125 HydrophobicContact CE1-CG1 4.5Å; H123-I125 PolarHBondContact O-N 3.24Å; I125-P127 VanDerWaalsContact O-N 3.16Å
126A46.2Very low52.1Low75 Ų75112 Ų11262%0.6262%0.623SS**  trans-39128.3178.200000108L124 S128L124-A126 VanDerWaalsContact C-N 3.35Å; L124-A126 PolarHBondContact O-N 2.99Å; L124-A126 VanDerWaalsContact O-N 3.09Å; A126-S128 PolarHBondContact O-N 2.77Å
127P41.9Very low50.7Low107 Ų107115.3 Ų115.370%0.69565%0.649SS**  trans-46.9125.6-178.115.8-28.1000107.7I125 P129I125-P127 VanDerWaalsContact O-N 3.16Å; P127-P129 VanDerWaalsContact O-N 3.11Å
128S37.6Very low49Very low100 Ų100113.3 Ų113.370%0.69965%0.645SS**  trans-43.6126.7171-71.50000106.6A126 D130A126-S128 PolarHBondContact O-N 2.77Å; S128-D130 PolarHBondContact O-N 3.35Å
129P42.7Very low47Very low120 Ų120119 Ų11978%0.77966%0.661SS**  trans-50.3118.4-173.316.8-29.1000107.4P127 T131P127-P129 VanDerWaalsContact O-N 3.11Å; P129-T131 PolarHBondContact O-N 3.3Å
130D39.6Very low45.3Very low140 Ų140122.5 Ų122.575%0.74968%0.676SS**  trans-46.2120.2177.8-81.6-40.4000105.9S128 V132S128-D130 PolarHBondContact O-N 3.35Å; D130-V132 WeakPolarHBondContact O-CG2 3.4Å; D130-V132 PolarHBondContact O-N 2.77Å
131T43.1Very low43.6Very low131 Ų131126.2 Ų126.280%0.80470%0.695SS**  trans-65.679.8165.8510000105.2P129 V133P129-T131 PolarHBondContact O-N 3.3Å; T131-V133 VanDerWaalsContact C-N 3.29Å; T131-V133 PolarHBondContact O-N 3.18Å
132V37Very low42Very low101 Ų101122.5 Ų122.561%0.61269%0.692SS**  trans-54.5108.6160.6-113.20000103.2D130 F134D130-V132 WeakPolarHBondContact O-CG2 3.4Å; D130-V132 PolarHBondContact O-N 2.77Å; V132-F134 HydrophobicContact CB-CD2 3.99Å; V132-F134 HydrophobicContact CB-CE2 4.17Å; V132-F134 HydrophobicContact CG2-CD2 4.02Å; V132-F134 HydrophobicContact CG2-CE2 3.89Å; V132-F134 PolarHBondContact O-N 3.34Å
133V41.2Very low40.5Very low118 Ų118123.9 Ų123.972%0.71570%0.701SS**  trans-59.892.1168.4178.50000104.1T131 D135T131-V133 VanDerWaalsContact C-N 3.29Å; T131-V133 PolarHBondContact O-N 3.18Å; V133-D135 PolarHBondContact O-N 3.4Å
134F37.8Very low39.2Very low149 Ų149124.6 Ų124.665%0.65472%0.716SS**  trans-72.588.3178-107.9-89.5000106.1V132 S136V132-F134 HydrophobicContact CB-CD2 3.99Å; V132-F134 HydrophobicContact CB-CE2 4.17Å; V132-F134 HydrophobicContact CG2-CD2 4.02Å; V132-F134 HydrophobicContact CG2-CE2 3.89Å; V132-F134 PolarHBondContact O-N 3.34Å; F134-S136 PolarHBondContact O-N 2.92Å
135D32.6Very low38.1Very low149 Ų149124.3 Ų124.380%0.79772%0.715SS**  trans-70.664164.5-75.9-28.3000108.7V133V133-D135 PolarHBondContact O-N 3.4Å
136S33.8Very low37.1Very low60 Ų60124.6 Ų124.642%0.4272%0.724SS.*SBendtrans-172.8131.8154.945.40000110.9F134 T138F134-S136 PolarHBondContact O-N 2.92Å; S136-T138 PolarHBondContact O-N 2.74Å
137P39.1Very low36.4Very low136 Ų136127.5 Ų127.588%0.88372%0.718SS**  trans-74.876.5175.231.8-32.7000109.3
138T36.3Very low36Very low79 Ų79129.5 Ų129.549%0.48573%0.729SS.*  trans-84117.7168.438.20000108.8S136 F140S136-T138 PolarHBondContact O-N 2.74Å; T138-F140 WeakPolarHBondContact O-CD2 3.47Å; T138-F140 PolarHBondContact O-N 2.86Å
139K33.2Very low35.8Very low193 Ų193128.1 Ų128.184%0.83972%0.72SS**  trans-61.986.2-175.2-63.6167.4179.3173.90111
140F35.8Very low35.3Very low179 Ų179128.3 Ų128.379%0.78572%0.724SS**  trans-89.6112.7167.2-75.8-78.6000109.7T138 S142T138-F140 WeakPolarHBondContact O-CD2 3.47Å; T138-F140 PolarHBondContact O-N 2.86Å; F140-S142 PolarHBondContact O-N 2.87Å
141H33Very low35.1Very low185 Ų185128.3 Ų128.386%0.85672%0.723SS**  trans-6675.7170-72.3-87.8000109.6S143H141-S143 PolarHBondContact O-N 2.93Å
142S36.9Very low34.8Very low105 Ų105128.8 Ų128.873%0.73472%0.72SS**  trans-75.6107.7170.6173.40000108.7F140 C144F140-S142 PolarHBondContact O-N 2.87Å; S142-C144 PolarHBondContact O-N 2.99Å
143S33.4Very low34.8Very low108 Ų108129.5 Ų129.576%0.75573%0.726SS**  trans-60.896.216948.70000109.4H141 L145H141-S143 PolarHBondContact O-N 2.93Å; S143-L145 PolarHBondContact O-N 2.67Å
144C31.4Very low34.3Very low114 Ų114130.3 Ų130.377%0.7773%0.732SS**  trans-67.7109.3179.5-169.10000109.9S142S142-C144 PolarHBondContact O-N 2.99Å
145L33.5Very low34.4Very low153 Ų153127.7 Ų127.780%0.80174%0.738SS**PPolyproline II helixtrans-70141.4171-73.2172.7000110S143 R147S143-L145 PolarHBondContact O-N 2.67Å; L145-R147 PolarHBondContact O-N 2.9Å
146P32.2Very low34.3Very low115 Ų115126.3 Ų126.375%0.74774%0.735SS**PPolyproline II helixtrans-64.5128.1-177.423.7-31.2000111.8T148P146-T148 PolarHBondContact O-N 3.09Å
147R32.1Very low34.3Very low135 Ų135129.6 Ų129.651%0.50976%0.755SS.*PPolyproline II helixtrans-61.9122.5-179.3-164.5179.1172.2112.8-0.2111L145L145-R147 PolarHBondContact O-N 2.9Å
148T32.9Very low34.2Very low149 Ų149131.1 Ų131.191%0.91476%0.755SS**  trans-103.112.8178.652.70000114.5P146P146-T148 PolarHBondContact O-N 3.09Å
149S34.4Very low33.9Very low72 Ų72130.4 Ų130.450%0.50376%0.763SS.*  trans-130.5131174.970.10000113.1L151S149-L151 VanDerWaalsContact C-N 3.3Å
150S32.6Very low33.9Very low124 Ų124131.5 Ų131.587%0.86777%0.767SS**  trans-86.96.6-179.564.50000113.8L152S150-L152 PolarHBondContact O-N 3.39Å
151L34.3Very low33.8Very low139 Ų139132.8 Ų132.873%0.72877%0.773SS**  trans-85.7106.4-179.9-73.9161.5000108.9S149 P153S149-L151 VanDerWaalsContact C-N 3.3Å; L151-P153 WeakPolarHBondContact O-CD 3.25Å
152L37.9Very low33.7Very low142 Ų142133.6 Ų133.674%0.74377%0.774SS**  trans-70.4122.5162.3-74.6162.4000107.3S150 T154S150-L152 PolarHBondContact O-N 3.39Å; L152-T154 PolarHBondContact O-N 3.25Å; L152-T154 VanDerWaalsContact O-N 3.07Å
153P36.1Very low33.3Very low115 Ų115138.5 Ų138.575%0.74778%0.782SS**  trans-65.7109.5169.4-12.726.8000108.1L151 A155L151-P153 WeakPolarHBondContact O-CD 3.25Å; P153-A155 PolarHBondContact O-N 2.92Å; P153-A155 VanDerWaalsContact O-N 3.1Å
154T31.4Very low33.1Very low136 Ų136138.9 Ų138.983%0.83478%0.776SS**  trans-70.2104.7171.9-30.20000107.3L152 T156L152-T154 PolarHBondContact O-N 3.25Å; L152-T154 VanDerWaalsContact O-N 3.07Å; T154-T156 PolarHBondContact O-N 3.45Å; T154-T156 VanDerWaalsContact O-N 3.11Å
155A39Very low32.9Very low93 Ų93139.1 Ų139.177%0.76978%0.778SS**  trans-60.2115.3175.700000109.3P153P153-A155 PolarHBondContact O-N 2.92Å; P153-A155 VanDerWaalsContact O-N 3.1Å
156T30.8Very low32.8Very low120 Ų120141 Ų14174%0.73678%0.776SS**  trans-60.5127.4172.325.40000109.9T154 L158T154-T156 PolarHBondContact O-N 3.45Å; T154-T156 VanDerWaalsContact O-N 3.11Å; T156-L158 PolarHBondContact O-N 3.5Å
157P34.2Very low32.7Very low130 Ų130143.3 Ų143.384%0.84478%0.781SS**  trans-68.4102.317925.2-31000110.2
158L37.1Very low32.7Very low168 Ų168145.6 Ų145.688%0.8880%0.803SS**  trans-68130.3170.1-94.7148000109.9T156T156-L158 PolarHBondContact O-N 3.5Å
159G30.3Very low32.7Very low63 Ų63140.9 Ų140.965%0.64978%0.784SS**  trans-53.6148.2-172.200000115.5K161G159-K161 PolarHBondContact O-N 3.37Å
160K32.6Very low32.8Very low217 Ų217144.7 Ų144.794%0.94380%0.799SS**  trans-14.988169.2-57.5-174.6-179.31770115.4
161K33.4Very low33Very low205 Ų205146.8 Ų146.889%0.89180%0.8SS**  trans-122.2107.3155.8-91.9-173.9175.9173.80110.6G159G159-K161 PolarHBondContact O-N 3.37Å
162K30.6Very low33.2Very low202 Ų202145 Ų14588%0.87880%0.799SS**  trans21.7109.3149.5-151.1170.4-176.7176.50115.9N164K162-N164 PolarHBondContact O-N 3.22Å
163K29.5Very low33.3Very low208 Ų208141.9 Ų141.990%0.90479%0.789SS**  trans-30.198.7166.5-69.2175.3174.9177.70112.6
164N28.2Very low33.3Very low117 Ų117141.9 Ų141.963%0.62679%0.791SS**  trans-113.5112.7144.7-97.715.4000106.2K162 Y166K162-N164 PolarHBondContact O-N 3.22Å; N164-Y166 VanDerWaalsContact C-N 3.26Å; N164-Y166 HydrophobicContact CB-CD2 4.14Å; N164-Y166 HydrophobicContact CB-CE2 3.6Å; N164-Y166 PolarHBondContact ND2-OH 3.34Å; N164-Y166 PolarHBondContact O-N 3.06Å
165S28.4Very low33.7Very low118 Ų118142.1 Ų142.183%0.82578%0.784SS**  trans-65.284.7174.353.30000109.2
166Y29.8Very low33.6Very low192 Ų192142.9 Ų142.975%0.75378%0.783SS**  trans-84.8126.3157.1-61.5-71.7000107N164N164-Y166 VanDerWaalsContact C-N 3.26Å; N164-Y166 HydrophobicContact CB-CD2 4.14Å; N164-Y166 HydrophobicContact CB-CE2 3.6Å; N164-Y166 PolarHBondContact ND2-OH 3.34Å; N164-Y166 PolarHBondContact O-N 3.06Å
167L31.1Very low33.8Very low165 Ų165146.1 Ų146.186%0.86479%0.789SS**  trans-34137.3176.9-104.268.5000111.4G169L167-G169 PolarHBondContact O-N 3.49Å
168L32.5Very low34Very low182 Ų182145.5 Ų145.595%0.95378%0.783SS**  trans-64.457.3165-15573.6000109.4N170L168-N170 PolarHBondContact O-N 2.88Å
169G32.2Very low34Very low51 Ų51142.2 Ų142.253%0.52678%0.78SS.*  trans-82.3104.2176.500000107L167 N171L167-G169 PolarHBondContact O-N 3.49Å; G169-N171 PolarHBondContact O-N 3.33Å
170N37.7Very low34.2Very low152 Ų152144.7 Ų144.781%0.81378%0.783SS**  trans6.7102.1163.8-63.5-2.3000113.1L168 S172L168-N170 PolarHBondContact O-N 2.88Å; N170-S172 PolarHBondContact O-N 3.16Å
171N36.9Very low34.3Very low167 Ų167143.8 Ų143.889%0.89378%0.782SS**  trans-60.774.4165.7-64.7-11.1000108.3G169 S173G169-N171 PolarHBondContact O-N 3.33Å; N171-S173 VanDerWaalsContact C-N 3.28Å; N171-S173 PolarHBondContact O-N 2.9Å
172S37.9Very low34.7Very low101 Ų101139.6 Ų139.671%0.70677%0.773SS**  trans-62.9105.2155.664.60000103.2N170 C174N170-S172 PolarHBondContact O-N 3.16Å; S172-C174 VanDerWaalsContact C-N 3.32Å; S172-C174 PolarHBondContact O-N 2.99Å
173S39.2Very low35.1Very low77 Ų77135.5 Ų135.554%0.53877%0.77SS.*  trans-46.910716755.90000106.2N171 M175N171-S173 VanDerWaalsContact C-N 3.28Å; N171-S173 PolarHBondContact O-N 2.9Å; S173-M175 VanDerWaalsContact C-N 3.31Å; S173-M175 PolarHBondContact O-N 3.24Å
174C36.5Very low36.4Very low116 Ų116132 Ų13278%0.78476%0.76SS**  trans-64106172.659.70000104.4S172 C176S172-C174 VanDerWaalsContact C-N 3.32Å; S172-C174 PolarHBondContact O-N 2.99Å; C174-C176 VanDerWaalsContact C-N 3.26Å; C174-C176 PolarHBondContact O-N 3.34Å
175M39Very low37.7Very low140 Ų140132.2 Ų132.269%0.6977%0.771SS**  trans-70.495.9173.8-65.5-102.669.800104.5S173 E177S173-M175 VanDerWaalsContact C-N 3.31Å; S173-M175 PolarHBondContact O-N 3.24Å; M175-E177 PolarHBondContact O-N 2.93Å
176C36.9Very low39.9Very low110 Ų110130.6 Ų130.674%0.74375%0.751SS**  trans-72.2118.5169.8-154.90000106.2C174 V178C174-C176 VanDerWaalsContact C-N 3.26Å; C174-C176 PolarHBondContact O-N 3.34Å; C176-V178 PolarHBondContact O-N 3.25Å
177E35.4Very low41.6Very low187 Ų187125.2 Ų125.287%0.87474%0.74SS**  trans-64.7103.7178.1-163.4173.7-161.200107.9M175 A179M175-E177 PolarHBondContact O-N 2.93Å; E177-A179 PolarHBondContact O-N 2.8Å
178V38.5Very low43.2Very low117 Ų117124.4 Ų124.471%0.70974%0.744SS**  trans-77.8109176.9-176.10000106.7C176 V180C176-V178 PolarHBondContact O-N 3.25Å; V178-V180 PolarHBondContact O-N 3.42Å
179A36.6Very low45.2Very low100 Ų100121.1 Ų121.183%0.82674%0.736SS**  trans-63.698.6173.400000109.2E177 Q181E177-A179 PolarHBondContact O-N 2.8Å; A179-Q181 PolarHBondContact O-N 2.95Å
180V35.3Very low47.5Very low115 Ų115122.5 Ų122.570%0.69773%0.728SS**  trans-75.4116.6170.2-84.70000108.6V178 T182V178-V180 PolarHBondContact O-N 3.42Å; V180-T182 PolarHBondContact O-N 3.04Å
181Q34Very low49.6Very low198 Ų198119.8 Ų119.893%0.92571%0.713SS**  trans-6796.1170.5-170.6177.78.400108.5A179A179-Q181 PolarHBondContact O-N 2.95Å
182T42.1Very low51.6Low116 Ų116116.5 Ų116.571%0.71269%0.691SS**  trans-89.4109.3171.138.80000107.9V180V180-T182 PolarHBondContact O-N 3.04Å
183S39.7Very low53.6Low116 Ų116118 Ų11881%0.81169%0.687SS**  trans-78.7134.7168.156.20000108.9
184I57.6Low55.5Low135 Ų135116 Ų11669%0.69267%0.674SS**  trans-107.1124.6170.7-63.4172.6000106.8M186I184-M186 HydrophobicContact CG2-CE 4.2Å; I184-M186 HydrophobicContact CG2-CG 4.08Å
185S55.5Low57.6Low121 Ų121113.3 Ų113.385%0.84665%0.653SS**  trans-82.8119.2170.3172.40000108.7
186M73.3Confident59.4Low85 Ų85109.9 Ų109.942%0.41964%0.636SS.*  trans-110.3139.9173.3-58.9-174.7-152.500109.8I184 F190 F192I184-M186 HydrophobicContact CG2-CE 4.2Å; I184-M186 HydrophobicContact CG2-CG 4.08Å; M186-F190 HydrophobicContact CB-CB 4.27Å; M186-F190 HydrophobicContact CB-CD1 4.31Å; M186-F190 HydrophobicContact CB-CG 4.45Å; M186-F190 HydrophobicContact CG-CD1 4.32Å; M186-F190 HydrophobicContact SD-CD1 3.44Å; M186-F190 WeakPolarHBondContact SD-CD1 3.1Å; M186-F190 HydrophobicContact SD-CE1 3.6Å; M186-F190 VanDerWaalsContact SD-CE1 3.6Å; M186-F190 HydrophobicContact SD-CG 4.37Å; M186-F192 HydrophobicContact CE-CD2 3.79Å; M186-F192 HydrophobicContact CE-CE2 3.87Å; M186-F192 HydrophobicContact SD-CD2 3.75Å; M186-F192 HydrophobicContact SD-CE2 4.43Å
187P65.4Low61.3Low79 Ų79109.7 Ų109.751%0.51362%0.624SS.*  trans-67.4152.9175.426.1-30.6000110.9S189 F190P187-S189 PolarHBondContact O-N 3.24Å; P187-F190 HydrophobicContact CG-CB 4.15Å; P187-F190 VanDerWaalsContact O-CB 3.25Å; P187-F190 WeakPolarHBondContact O-CB 2.97Å; P187-F190 PolarHBondContact O-N 2.97Å
188P65.4Low63.2Low147 Ų147103.6 Ų103.696%0.95560%0.597SS**THydrogen-bonded Turntrans-61-21.3-178.2-21.130.8000114.4F190P188-F190 VanDerWaalsContact C-N 3.29Å
189S73.5Confident64.7Low113 Ų113100 Ų10079%0.7958%0.58SS**THydrogen-bonded Turntrans-85.11.4177.461.90000113.5P187 D191P187-S189 PolarHBondContact O-N 3.24Å; S189-D191 PolarHBondContact O-N 2.95Å
190F80.3Confident66.3Low80 Ų80100.9 Ų100.935%0.35157%0.565SS.*  trans-80.4114.1178.3-172.4-100.9000110.1M186 P187 P188 F192 V195M186-F190 HydrophobicContact CB-CB 4.27Å; M186-F190 HydrophobicContact CB-CD1 4.31Å; M186-F190 HydrophobicContact CB-CG 4.45Å; M186-F190 HydrophobicContact CG-CD1 4.32Å; M186-F190 HydrophobicContact SD-CD1 3.44Å; M186-F190 WeakPolarHBondContact SD-CD1 3.1Å; M186-F190 HydrophobicContact SD-CE1 3.6Å; M186-F190 VanDerWaalsContact SD-CE1 3.6Å; M186-F190 HydrophobicContact SD-CG 4.37Å; P187-F190 HydrophobicContact CG-CB 4.15Å; P187-F190 VanDerWaalsContact O-CB 3.25Å; P187-F190 WeakPolarHBondContact O-CB 2.97Å; P187-F190 PolarHBondContact O-N 2.97Å; P188-F190 VanDerWaalsContact C-N 3.29Å; F190-F192 VanDerWaalsContact C-N 3.3Å; F190-F192 HydrophobicContact CD1-CB 3.89Å; F190-F192 HydrophobicContact CD1-CD2 4.47Å; F190-F192 HydrophobicContact CE1-CB 3.94Å; F190-F192 AromaticContact CE1-CD2 3.92Å; F190-F192 HydrophobicContact CE1-CD2 3.92Å; F190-F192 HydrophobicContact CE1-CG 4.42Å; F190-F192 PolarHBondContact O-N 3.48Å; F190-V195 HydrophobicContact CE2-CG2 4.41Å; F190-V195 HydrophobicContact CZ-CB 4.39Å; F190-V195 HydrophobicContact CZ-CG2 3.9Å
191D83Confident68Low95 Ų95101 Ų10151%0.50856%0.558SS.*  trans-81.278.4176.1-172-9.4000110.2S189 E193 S194 V195S189-D191 PolarHBondContact O-N 2.95Å; D191-E193 PolarHBondContact O-N 3.11Å; D191-E193 PolarHBondContact OD1-N 3.05Å; D191-S194 VanDerWaalsContact CG-OG 3.26Å; D191-S194 PolarHBondContact O-N 3.22Å; D191-S194 PolarHBondContact O-OG 2.79Å; D191-S194 PolarHBondContact OD1-N 3.47Å; D191-S194 VanDerWaalsContact OD1-N 3.12Å; D191-S194 WeakPolarHBondContact OD2-CB 3.16Å; D191-S194 PolarHBondContact OD2-OG 3.07Å; D191-V195 PolarHBondContact O-N 2.91Å
192F78.8Confident69.1Low98 Ų9896 Ų9643%0.4354%0.535SS..Hα-helixtrans-58.6-35.4-179.8-178.6-99.6000112.5M186 F190 V195 M196M186-F192 HydrophobicContact CE-CD2 3.79Å; M186-F192 HydrophobicContact CE-CE2 3.87Å; M186-F192 HydrophobicContact SD-CD2 3.75Å; M186-F192 HydrophobicContact SD-CE2 4.43Å; F190-F192 VanDerWaalsContact C-N 3.3Å; F190-F192 HydrophobicContact CD1-CB 3.89Å; F190-F192 HydrophobicContact CD1-CD2 4.47Å; F190-F192 HydrophobicContact CE1-CB 3.94Å; F190-F192 AromaticContact CE1-CD2 3.92Å; F190-F192 HydrophobicContact CE1-CD2 3.92Å; F190-F192 HydrophobicContact CE1-CG 4.42Å; F190-F192 PolarHBondContact O-N 3.48Å; F192-V195 PolarHBondContact O-N 2.94Å; F192-M196 HydrophobicContact CD1-CG 3.94Å; F192-M196 HydrophobicContact CD2-CG 4.47Å; F192-M196 HydrophobicContact CE1-CE 4.29Å; F192-M196 HydrophobicContact CE1-CG 3.46Å; F192-M196 VanDerWaalsContact CE1-CG 3.46Å; F192-M196 HydrophobicContact CE1-SD 4.27Å; F192-M196 HydrophobicContact CE2-CG 4.02Å; F192-M196 HydrophobicContact CG-CG 4.43Å; F192-M196 HydrophobicContact CZ-CE 4.28Å; F192-M196 HydrophobicContact CZ-CG 3.49Å; F192-M196 VanDerWaalsContact CZ-CG 3.49Å; F192-M196 HydrophobicContact CZ-SD 3.88Å; F192-M196 WeakPolarHBondContact O-CB 3.5Å; F192-M196 WeakPolarHBondContact O-CG 3.35Å; F192-M196 PolarHBondContact O-N 2.69Å
193E80.3Confident69.6Low133 Ų13395.5 Ų95.562%0.62153%0.528SS*.Hα-helixtrans-63.4-48.4-178.2-168.465.2-159.700110.9D191 V195 M196 Q197D191-E193 PolarHBondContact O-N 3.11Å; D191-E193 PolarHBondContact OD1-N 3.05Å; E193-V195 VanDerWaalsContact C-N 3.31Å; E193-V195 PolarHBondContact O-N 3.41Å; E193-M196 PolarHBondContact O-N 3.32Å; E193-Q197 WeakPolarHBondContact O-CB 3.32Å; E193-Q197 PolarHBondContact O-N 3.25Å
194S78.4Confident70.1Confident36 Ų3697.9 Ų97.925%0.25253%0.526SS..Hα-helixtrans-60.1-40.9178.670.90000112.7D191 Q197 I198D191-S194 VanDerWaalsContact CG-OG 3.26Å; D191-S194 PolarHBondContact O-N 3.22Å; D191-S194 PolarHBondContact O-OG 2.79Å; D191-S194 PolarHBondContact OD1-N 3.47Å; D191-S194 VanDerWaalsContact OD1-N 3.12Å; D191-S194 WeakPolarHBondContact OD2-CB 3.16Å; D191-S194 PolarHBondContact OD2-OG 3.07Å; S194-Q197 PolarHBondContact O-N 2.8Å; S194-I198 WeakPolarHBondContact O-CD1 3.49Å; S194-I198 WeakPolarHBondContact O-CG1 3.28Å; S194-I198 PolarHBondContact O-N 3.25Å
195V79.7Confident69.4Low58 Ų5895.8 Ų95.835%0.35252%0.523SS..Hα-helixtrans-69-42.3-179.51760000110.7F190 D191 F192 E193 I198 A199F190-V195 HydrophobicContact CE2-CG2 4.41Å; F190-V195 HydrophobicContact CZ-CB 4.39Å; F190-V195 HydrophobicContact CZ-CG2 3.9Å; D191-V195 PolarHBondContact O-N 2.91Å; F192-V195 PolarHBondContact O-N 2.94Å; E193-V195 VanDerWaalsContact C-N 3.31Å; E193-V195 PolarHBondContact O-N 3.41Å; V195-I198 PolarHBondContact O-N 3.35Å; V195-A199 WeakPolarHBondContact O-CB 3.22Å; V195-A199 PolarHBondContact O-N 3.31Å
196M77.7Confident68.7Low69 Ų6997.4 Ų97.434%0.3452%0.519SS..Hα-helixtrans-63.9-43.9175.5-82.6-76.9-80.200111.7F192 E193 I198 A199 F200F192-M196 HydrophobicContact CD1-CG 3.94Å; F192-M196 HydrophobicContact CD2-CG 4.47Å; F192-M196 HydrophobicContact CE1-CE 4.29Å; F192-M196 HydrophobicContact CE1-CG 3.46Å; F192-M196 VanDerWaalsContact CE1-CG 3.46Å; F192-M196 HydrophobicContact CE1-SD 4.27Å; F192-M196 HydrophobicContact CE2-CG 4.02Å; F192-M196 HydrophobicContact CG-CG 4.43Å; F192-M196 HydrophobicContact CZ-CE 4.28Å; F192-M196 HydrophobicContact CZ-CG 3.49Å; F192-M196 VanDerWaalsContact CZ-CG 3.49Å; F192-M196 HydrophobicContact CZ-SD 3.88Å; F192-M196 WeakPolarHBondContact O-CB 3.5Å; F192-M196 WeakPolarHBondContact O-CG 3.35Å; F192-M196 PolarHBondContact O-N 2.69Å; E193-M196 PolarHBondContact O-N 3.32Å; M196-I198 PolarHBondContact O-N 2.7Å; M196-A199 WeakPolarHBondContact O-CB 3.15Å; M196-A199 PolarHBondContact O-N 3.05Å; M196-A199 VanDerWaalsContact O-N 3.16Å; M196-F200 HydrophobicContact CB-CE2 4.48Å; M196-F200 HydrophobicContact CE-CD2 4.48Å; M196-F200 HydrophobicContact CE-CE2 3.43Å; M196-F200 VanDerWaalsContact CE-CE2 3.43Å; M196-F200 HydrophobicContact CE-CZ 3.89Å; M196-F200 WeakPolarHBondContact O-CD2 3.28Å; M196-F200 PolarHBondContact O-N 2.92Å; M196-F200 HydrophobicContact SD-CE2 4.19Å
197Q76.6Confident67.1Low105 Ų105102.6 Ų102.649%0.49154%0.539SS..Hα-helixtrans-60.7-45.3178.2-176.3167.23.400111.6E193 S194 A199 F200 E201E193-Q197 WeakPolarHBondContact O-CB 3.32Å; E193-Q197 PolarHBondContact O-N 3.25Å; S194-Q197 PolarHBondContact O-N 2.8Å; Q197-A199 VanDerWaalsContact C-N 3.31Å; Q197-A199 PolarHBondContact O-N 2.87Å; Q197-F200 PolarHBondContact O-N 2.99Å; Q197-E201 HydrophobicContact CG-CG 4.38Å; Q197-E201 WeakPolarHBondContact CG-OE1 3.36Å; Q197-E201 PolarHBondContact NE2-OE1 3.33Å; Q197-E201 WeakPolarHBondContact O-CB 3.44Å; Q197-E201 WeakPolarHBondContact O-CG 3.43Å; Q197-E201 PolarHBondContact O-N 2.64Å
198I75.5Confident65.8Low60 Ų60105.3 Ų105.331%0.30855%0.55SS..Hα-helixtrans-60.4-42.2175.1-66.6163000110.9S194 V195 M196 E201 Q202 L218S194-I198 WeakPolarHBondContact O-CD1 3.49Å; S194-I198 WeakPolarHBondContact O-CG1 3.28Å; S194-I198 PolarHBondContact O-N 3.25Å; V195-I198 PolarHBondContact O-N 3.35Å; M196-I198 PolarHBondContact O-N 2.7Å; I198-E201 PolarHBondContact O-N 3.27Å; I198-Q202 PolarHBondContact O-N 3.37Å; I198-L218 HydrophobicContact CD1-CD2 4.42Å
199A70.2Confident64.3Low41 Ų41105.2 Ų105.234%0.33954%0.54SS..Hα-helixtrans-64.5-39178.400000112V195 M196 Q197 N203V195-A199 WeakPolarHBondContact O-CB 3.22Å; V195-A199 PolarHBondContact O-N 3.31Å; M196-A199 WeakPolarHBondContact O-CB 3.15Å; M196-A199 PolarHBondContact O-N 3.05Å; M196-A199 VanDerWaalsContact O-N 3.16Å; Q197-A199 VanDerWaalsContact C-N 3.31Å; Q197-A199 PolarHBondContact O-N 2.87Å; A199-N203 PolarHBondContact O-N 2.96Å; A199-N203 PolarHBondContact O-ND2 3.07Å
200F69.8Low62.3Low118 Ų118105.6 Ų105.652%0.51854%0.543SS..Hα-helixtrans-71.3-43.4175.9-77-62.6000112.6M196 Q197 Q202 N203 H204M196-F200 HydrophobicContact CB-CE2 4.48Å; M196-F200 HydrophobicContact CE-CD2 4.48Å; M196-F200 HydrophobicContact CE-CE2 3.43Å; M196-F200 VanDerWaalsContact CE-CE2 3.43Å; M196-F200 HydrophobicContact CE-CZ 3.89Å; M196-F200 WeakPolarHBondContact O-CD2 3.28Å; M196-F200 PolarHBondContact O-N 2.92Å; M196-F200 HydrophobicContact SD-CE2 4.19Å; Q197-F200 PolarHBondContact O-N 2.99Å; F200-Q202 VanDerWaalsContact C-N 3.29Å; F200-Q202 PolarHBondContact O-N 2.88Å; F200-N203 PolarHBondContact O-N 2.96Å; F200-N203 VanDerWaalsContact O-N 3.12Å; F200-H204 PolarHBondContact O-CD2 3.33Å; F200-H204 PolarHBondContact O-N 3.29Å
201E71.3Confident60Low117 Ų117106.8 Ų106.855%0.54757%0.568SS.*Hα-helixtrans-61.3-37.3178.5-74.6176.8-171.200111.9Q197 I198 N203 H204 S205Q197-E201 HydrophobicContact CG-CG 4.38Å; Q197-E201 WeakPolarHBondContact CG-OE1 3.36Å; Q197-E201 PolarHBondContact NE2-OE1 3.33Å; Q197-E201 WeakPolarHBondContact O-CB 3.44Å; Q197-E201 WeakPolarHBondContact O-CG 3.43Å; Q197-E201 PolarHBondContact O-N 2.64Å; I198-E201 PolarHBondContact O-N 3.27Å; E201-N203 PolarHBondContact O-N 3.17Å; E201-H204 PolarHBondContact O-N 3.1Å; E201-S205 PolarHBondContact O-N 2.92Å
202Q56.9Low57.4Low95 Ų95105.3 Ų105.344%0.44457%0.569SS.*Hα-helixtrans-63.9-37.9174.1-83.8-172.7-11.700113.2I198 F200 H204 S205 S214I198-Q202 PolarHBondContact O-N 3.37Å; F200-Q202 VanDerWaalsContact C-N 3.29Å; F200-Q202 PolarHBondContact O-N 2.88Å; Q202-H204 VanDerWaalsContact C-N 3.31Å; Q202-H204 PolarHBondContact O-N 2.97Å; Q202-S205 PolarHBondContact O-N 3.47Å; Q202-S214 PolarHBondContact NE2-OG 2.91Å
203N52.9Low55.1Low104 Ų104110.8 Ų110.856%0.55659%0.592SS**Hα-helixtrans-70.2-27.5-178.3-77.6-57.8000112.8A199 F200 E201A199-N203 PolarHBondContact O-N 2.96Å; A199-N203 PolarHBondContact O-ND2 3.07Å; F200-N203 PolarHBondContact O-N 2.96Å; F200-N203 VanDerWaalsContact O-N 3.12Å; E201-N203 PolarHBondContact O-N 3.17Å
204H49.8Very low52.6Low166 Ų166108.2 Ų108.277%0.76959%0.589SS**Hα-helixtrans-85.4-14178.3-65.4-57.7000114.1F200 E201 Q202F200-H204 PolarHBondContact O-CD2 3.33Å; F200-H204 PolarHBondContact O-N 3.29Å; E201-H204 PolarHBondContact O-N 3.1Å; Q202-H204 VanDerWaalsContact C-N 3.31Å; Q202-H204 PolarHBondContact O-N 2.97Å
205S42.3Very low50.4Low91 Ų91111.2 Ų111.264%0.63661%0.61SS**THydrogen-bonded Turntrans-96.813.7-180-160.30000114.3E201 Q202 K207E201-S205 PolarHBondContact O-N 2.92Å; Q202-S205 PolarHBondContact O-N 3.47Å; S205-K207 PolarHBondContact O-N 3.07Å
206M41.1Very low48.1Very low155 Ų155112.4 Ų112.476%0.76462%0.617SS**THydrogen-bonded Turntrans-74.811.8-174.6-82.5-92.7-127.600115.5
207K40Very low45.8Very low194 Ų194113.8 Ų113.884%0.84363%0.63SS**THydrogen-bonded Turntrans-80.3-15.3178.2-94.5-173.8178.61800115.1S205S205-K207 PolarHBondContact O-N 3.07Å
208N38.1Very low43.5Very low137 Ų137113.7 Ų113.773%0.73363%0.632SS**SBendtrans-153.9106.8175.2-70.7-59.8000109.2
209L34.5Very low41.1Very low145 Ų145116 Ų11676%0.75965%0.653SS**  trans163.682.6140.5-10477.9000108.7A211 A212L209-A211 PolarHBondContact O-N 2.71Å; L209-A212 HydrophobicContact CD2-CB 4.06Å
210S31.2Very low39.1Very low121 Ų121120.2 Ų120.285%0.84667%0.669SS**THydrogen-bonded Turntrans-59.4127.1148.358.20000107.9
211A31.6Very low37.1Very low105 Ų105120.6 Ų120.687%0.86868%0.681SS**THydrogen-bonded Turntrans10211.5162.100000120.8L209L209-A211 PolarHBondContact O-N 2.71Å
212A29.1Very low35.1Very low64 Ų64119.4 Ų119.453%0.52969%0.685SS.*  trans-98.1109.3166.300000111.1L209 S214L209-A212 HydrophobicContact CD2-CB 4.06Å; A212-S214 VanDerWaalsContact C-N 3.26Å; A212-S214 PolarHBondContact O-N 3.47Å
213K31.2Very low33.8Very low213 Ų213122.8 Ų122.893%0.92671%0.706SS**  trans-54.890.1161.9-68.2170.8175.1176.30108.4S215K213-S215 PolarHBondContact O-N 2.8Å; K213-S215 VanDerWaalsContact O-N 3.13Å
214S28.1Very low32.8Very low78 Ų78126.5 Ų126.555%0.54572%0.718SS.*  trans-81.392.1-177.2164.30000109.6Q202 A212 V216Q202-S214 PolarHBondContact NE2-OG 2.91Å; A212-S214 VanDerWaalsContact C-N 3.26Å; A212-S214 PolarHBondContact O-N 3.47Å; S214-V216 PolarHBondContact O-N 2.94Å
215S31.9Very low31.6Very low99 Ų99126.1 Ų126.169%0.69272%0.718SS**  trans-74.7117.3166.459.30000109.6K213 T217K213-S215 PolarHBondContact O-N 2.8Å; K213-S215 VanDerWaalsContact O-N 3.13Å; S215-T217 PolarHBondContact O-N 3.15Å
216V31.6Very low31Very low84 Ų84128.6 Ų128.651%0.50972%0.723SS.*  trans-68.8114.6174.2179.70000108.6S214 L218S214-V216 PolarHBondContact O-N 2.94Å; V216-L218 HydrophobicContact CG1-CD2 4.46Å; V216-L218 HydrophobicContact CG1-CG 4.27Å
217T29Very low30.4Very low98 Ų98126.7 Ų126.760%0.60172%0.72SS**  trans-99.9104175.6-54.90000108.5S215 S219S215-T217 PolarHBondContact O-N 3.15Å; T217-S219 PolarHBondContact O-N 3.01Å
218L26.7Very low29.7Very low102 Ų102123.9 Ų123.953%0.53471%0.714SS.*  trans-82111.5175.4-68.9162.3000109.1I198 V216 I220I198-L218 HydrophobicContact CD1-CD2 4.42Å; V216-L218 HydrophobicContact CG1-CD2 4.46Å; V216-L218 HydrophobicContact CG1-CG 4.27Å; L218-I220 PolarHBondContact O-N 2.95Å
219S26.5Very low29.5Very low108 Ų108124.1 Ų124.176%0.75572%0.716SS**  trans-8492.3175.1-60.30000109.2T217 T221T217-S219 PolarHBondContact O-N 3.01Å; S219-T221 PolarHBondContact O-N 3.05Å
220I28.4Very low29.3Very low131 Ų131124 Ų12467%0.67272%0.716SS**  trans-74.2107.6171.6-56.1173000107.3L218 S222L218-I220 PolarHBondContact O-N 2.95Å; I220-S222 PolarHBondContact O-N 3.28Å
221T27.3Very low29.2Very low126 Ų126128.4 Ų128.477%0.77372%0.719SS**  trans-70.182.6166.541.90000108.5S219 N223S219-T221 PolarHBondContact O-N 3.05Å; T221-N223 PolarHBondContact O-N 3.34Å
222S28.6Very low29.2Very low91 Ų91128.2 Ų128.264%0.63671%0.712SS**  trans-63121.5166.961.30000108I220 K224I220-S222 PolarHBondContact O-N 3.28Å; S222-K224 PolarHBondContact O-N 3.18Å
223N30.7Very low29.1Very low166 Ų166133.8 Ų133.889%0.88873%0.733SS**  trans-63.774171.8-73.8-27.4000109.6T221 M225T221-N223 PolarHBondContact O-N 3.34Å; N223-M225 PolarHBondContact O-N 2.87Å
224K30.9Very low29.1Very low182 Ų182128 Ų12879%0.79172%0.719SS**  trans-82.8103.4175.3-161.1174.5-178.5-177.50107.4S222 I226S222-K224 PolarHBondContact O-N 3.18Å; K224-I226 PolarHBondContact O-N 2.7Å; K224-I226 VanDerWaalsContact O-N 3.1Å
225M25.6Very low29.1Very low159 Ų159133.8 Ų133.878%0.78374%0.738SS**  trans-33.5110.8171-162.1161.388.700110.8N223 T227N223-M225 PolarHBondContact O-N 2.87Å; M225-T227 PolarHBondContact O-N 2.9Å; M225-T227 PolarHBondContact O-OG1 3.05Å
226I29.1Very low28.8Very low143 Ų143139.7 Ų139.773%0.73375%0.745SS**  trans-60.298.4180-55.8167.4000106.9K224 N228K224-I226 PolarHBondContact O-N 2.7Å; K224-I226 VanDerWaalsContact O-N 3.1Å; I226-N228 WeakPolarHBondContact CG2-OD1 3.23Å
227T28.1Very low28.7Very low114 Ų114145.8 Ų145.870%0.69976%0.764SS**  trans-101.5102.4165.3250000104.9M225 D229M225-T227 PolarHBondContact O-N 2.9Å; M225-T227 PolarHBondContact O-OG1 3.05Å; T227-D229 PolarHBondContact O-N 3.08Å; T227-D229 VanDerWaalsContact O-N 3.15Å
228N26.4Very low28.7Very low136 Ų136145.9 Ų145.973%0.72777%0.769SS**  trans-69.598.7176.5-63.4-47.7000107.6I226I226-N228 WeakPolarHBondContact CG2-OD1 3.23Å
229D33.2Very low28.7Very low142 Ų142147.9 Ų147.976%0.75978%0.78SS**  trans-150.7116.7161.9-81.7-42.7000109.8T227T227-D229 PolarHBondContact O-N 3.08Å; T227-D229 VanDerWaalsContact O-N 3.15Å
230D31.2Very low29.2Very low142 Ų142147.4 Ų147.476%0.75978%0.775SS**  trans59.6109.1147.5-63.7-28.1000122S232D230-S232 PolarHBondContact O-N 2.99Å
231K29.3Very low29.5Very low213 Ų213150.1 Ų150.193%0.92678%0.782SS**  trans10.599.3134.1-79.5174.7172.1172.20116
232S30.4Very low29.8Very low102 Ų102147.9 Ų147.971%0.71378%0.776SS**  trans-149.2102.3144.764.10000110.5D230 S234D230-S232 PolarHBondContact O-N 2.99Å; S232-S234 PolarHBondContact O-N 3.37Å
233D27.9Very low29.9Very low180 Ų180149.2 Ų149.296%0.96378%0.776SS**  trans-56.9100.5157.9-89.4-46.1000108.5
234S29.7Very low29.9Very low91 Ų91148.1 Ų148.164%0.63677%0.77SS**  trans-142109.1156.474.60000109.5S232 R236S232-S234 PolarHBondContact O-N 3.37Å; S234-R236 VanDerWaalsContact C-N 3.28Å; S234-R236 PolarHBondContact O-N 3.05Å
235Q28Very low30.1Very low201 Ų201146 Ų14694%0.93977%0.766SS**  trans-61.189.5169.5-66.1-166.8-4.800109.4
236R27Very low30.2Very low223 Ų223143.6 Ų143.684%0.84277%0.765SS**  trans-114.994.5155.6-83.7-173.2172.6-171.2-1107.2S234 S238S234-R236 VanDerWaalsContact C-N 3.28Å; S234-R236 PolarHBondContact O-N 3.05Å; R236-S238 PolarHBondContact O-N 3.26Å
237K28.6Very low30.3Very low212 Ų212144.4 Ų144.492%0.92277%0.77SS**  trans-57.482.4155.4-79.9176.8172178.50107.3
238S29.2Very low30.3Very low99 Ų99144 Ų14469%0.69277%0.772SS**PPolyproline II helixtrans-82.2116.9160.551.30000106R236R236-S238 PolarHBondContact O-N 3.26Å
239D27.7Very low30.4Very low145 Ų145142.2 Ų142.278%0.77578%0.776SS**PPolyproline II helixtrans-47.3127.1174.7-77.5-44.4000109.5F241D239-F241 PolarHBondContact O-N 3.47Å; D239-F241 VanDerWaalsContact O-N 3.11Å
240P36.2Very low30.1Very low98 Ų98141.2 Ų141.264%0.63678%0.779SS**PPolyproline II helixtrans-60.1121.7176.724.1-30.6000107.4A242P240-A242 PolarHBondContact O-N 3.37Å
241F34.7Very low30Very low187 Ų187139 Ų13982%0.8278%0.781SS**  trans-37.5101.7177.4-77.9-98.7000110.7D239 N243D239-F241 PolarHBondContact O-N 3.47Å; D239-F241 VanDerWaalsContact O-N 3.11Å; F241-N243 PolarHBondContact O-N 2.86Å
242A33.6Very low30Very low79 Ų79135 Ų13565%0.65377%0.773SS**  trans-66.690.8165.500000106P240 N244P240-A242 PolarHBondContact O-N 3.37Å; A242-N244 PolarHBondContact O-N 3.08Å
243N31.4Very low30Very low120 Ų120137.3 Ų137.364%0.64278%0.778SS**  trans-6983.7172.3-72.3-25.2000107.3F241 I245F241-N243 PolarHBondContact O-N 2.86Å; N243-I245 PolarHBondContact O-N 2.83Å; N243-I245 VanDerWaalsContact O-N 3.17Å
244N30.7Very low30.1Very low143 Ų143138.8 Ų138.877%0.76577%0.77SS**  trans-63.5114.7170.4-65.6-31.2000107.2A242 S246A242-N244 PolarHBondContact O-N 3.08Å; N244-S246 PolarHBondContact O-N 3.04Å
245I33.3Very low30.1Very low137 Ų137140.5 Ų140.570%0.70378%0.779SS**  trans-65.999.9171.2-60.4171.3000106.6N243 L247N243-I245 PolarHBondContact O-N 2.83Å; N243-I245 VanDerWaalsContact O-N 3.17Å; I245-L247 HydrophobicContact CG2-CD2 4.36Å; I245-L247 PolarHBondContact O-N 3.45Å
246S28.5Very low30.4Very low109 Ų109137.6 Ų137.676%0.76277%0.768SS**  trans-83.6106.1175.8-171.60000108.7N244 S248N244-S246 PolarHBondContact O-N 3.04Å; S246-S248 PolarHBondContact O-N 3.24Å; S246-S248 VanDerWaalsContact O-N 3.15Å
247L31.2Very low30.8Very low159 Ų159132.6 Ų132.683%0.83277%0.765SS**  trans-74.498.9169.2-62.6174.9000108.2I245 A249I245-L247 HydrophobicContact CG2-CD2 4.36Å; I245-L247 PolarHBondContact O-N 3.45Å; L247-A249 PolarHBondContact O-N 3.28Å
248S29.1Very low30.9Very low107 Ų107128.2 Ų128.275%0.74876%0.759SS**  trans-79.1108.1170.459.30000109.2S246 C250S246-S248 PolarHBondContact O-N 3.24Å; S246-S248 VanDerWaalsContact O-N 3.15Å; S248-C250 PolarHBondContact O-N 2.84Å
249A28Very low30.9Very low98 Ų98130.3 Ų130.381%0.8176%0.763SS**  trans-67.6122.9160.400000107.9L247 A251L247-A249 PolarHBondContact O-N 3.28Å; A249-A251 PolarHBondContact O-N 2.6Å
250C25.6Very low31Very low121 Ų121127.6 Ų127.682%0.81876%0.755SS**  trans-68.9110.7171.229.50000108.7S248 V252S248-C250 PolarHBondContact O-N 2.84Å; C250-V252 PolarHBondContact O-N 3.17Å
251A30.3Very low30.7Very low96 Ų96129.7 Ų129.779%0.79376%0.761SS**  trans-66.5122.6168.700000108.4A249 D253A249-A251 PolarHBondContact O-N 2.6Å; A251-D253 PolarHBondContact O-N 3.36Å
252V29.8Very low30.4Very low127 Ų127127.7 Ų127.777%0.7776%0.759SS**  trans-75.3106.3170.8178.70000107C250 R254C250-V252 PolarHBondContact O-N 3.17Å; V252-R254 PolarHBondContact O-N 2.99Å
253D30.5Very low30Very low152 Ų152131.9 Ų131.981%0.81377%0.77SS**  trans-65.6107.3176.9-134.9-3.7000108.2A251A251-D253 PolarHBondContact O-N 3.36Å
254R28.9Very low29.8Very low210 Ų210131.3 Ų131.379%0.79278%0.776SS**  trans-80.5127.1173.6-69.1-177.7-177.5150.81.5106.7V252 I256V252-R254 PolarHBondContact O-N 2.99Å; R254-I256 PolarHBondContact O-N 2.8Å
255P30.4Very low29.6Very low127 Ų127131.8 Ų131.883%0.82578%0.778SS**  trans-55.5112.1179.320.1-30.2000109.5
256I34.4Very low29.2Very low140 Ų140131.2 Ų131.272%0.71879%0.786SS**  trans-70.8129171.5-60.2173.8000106.1R254 C258R254-I256 PolarHBondContact O-N 2.8Å; I256-C258 PolarHBondContact O-N 2.93Å
257P35.4Very low29.2Very low119 Ų119132.1 Ų132.177%0.77378%0.781SS**  trans-59.2109.2175.1-18.529.6000109.1N259P257-N259 PolarHBondContact O-N 3.48Å
258C30.1Very low29Very low119 Ų119131.5 Ų131.580%0.80478%0.777SS**  trans-62.4104.3174-710000108.8I256 S260I256-C258 PolarHBondContact O-N 2.93Å; C258-S260 PolarHBondContact O-N 3.07Å
259N28.7Very low28.8Very low143 Ų143135.9 Ų135.977%0.76579%0.786SS**  trans-72.672.8167.3-176.68.9000108.7P257P257-N259 PolarHBondContact O-N 3.48Å
260S31.5Very low28.7Very low88 Ų88139.3 Ų139.362%0.61578%0.782SS**  trans-10895.3168.363.70000108.9C258 N262C258-S260 PolarHBondContact O-N 3.07Å; S260-N262 PolarHBondContact O-N 2.88Å
261N28.6Very low28.8Very low142 Ų142141.4 Ų141.476%0.75979%0.786SS**  trans-60.584.5161-65.7-41.5000109.1
262N28.2Very low28.6Very low146 Ų146141.4 Ų141.478%0.78178%0.78SS**  trans-137105.2164.2-86.2-31.7000108.8S260 S264S260-N262 PolarHBondContact O-N 2.88Å; N262-S264 PolarHBondContact O-N 3.31Å
263N25.9Very low28.6Very low166 Ų166146.9 Ų146.989%0.88879%0.786SS**  trans-48106.2171.6-68.5-35.9000110.7
264S27.5Very low28.5Very low109 Ų109147.1 Ų147.176%0.76278%0.782SS**  trans-157.3105.8158.7-770000109.2N262N262-S264 PolarHBondContact O-N 3.31Å
265L26.9Very low28.6Very low153 Ų153144.3 Ų144.380%0.80178%0.782SS**  trans71.477.9159.3-54.9174000116.5I267L265-I267 PolarHBondContact O-N 3.27Å; L265-I267 VanDerWaalsContact O-N 3.08Å
266S24.4Very low28.8Very low125 Ų125145.9 Ų145.987%0.87478%0.783SS**  trans-63.292.8150.955.90000110.2
267I28.3Very low28.5Very low128 Ų128144 Ų14466%0.65678%0.782SS**  trans-128.3116.4165.1-62177.3000107.5L265L265-I267 PolarHBondContact O-N 3.27Å; L265-I267 VanDerWaalsContact O-N 3.08Å
268L27.2Very low28.2Very low145 Ų145149.6 Ų149.676%0.75979%0.788SS**  trans73.458.6164-72.6154.4000118.4K270L268-K270 VanDerWaalsContact C-N 3.26Å; L268-K270 PolarHBondContact O-N 2.88Å
269H25.3Very low28.1Very low200 Ų200154.6 Ų154.693%0.92679%0.79SS**  trans-80.971.7144.3-99.7-88.1000109.8
270K25.5Very low28.2Very low170 Ų170151.6 Ų151.674%0.73978%0.78SS**  trans-142.6118.3165.7-68.4-171.8179.6177.60109L268L268-K270 VanDerWaalsContact C-N 3.26Å; L268-K270 PolarHBondContact O-N 2.88Å
271N27.4Very low28.3Very low165 Ų165155.7 Ų155.788%0.88279%0.794SS**SBendtrans74.875.4165.2-54.2-23.5000118.1
272S26.6Very low28.4Very low96 Ų96156.9 Ų156.967%0.67179%0.793SS**  trans-159.468.4136.6-168.90000109.6H274S272-H274 PolarHBondContact O-N 3.07Å; S272-H274 PolarHBondContact OG-CD2 3.11Å; S272-H274 VanDerWaalsContact OG-CD2 3.29Å
273R28.3Very low28.5Very low241 Ų241155.3 Ų155.391%0.90979%0.793SS**  trans-80.862.9154.7-65.6-173.1-162163.85.2107.2L275R273-L275 PolarHBondContact O-N 3.18Å
274H29.6Very low28.4Very low157 Ų157154.7 Ų154.773%0.72779%0.79SS**  trans-76.973.4157.6-76.5-64.2000106.6S272 L276S272-H274 PolarHBondContact O-N 3.07Å; S272-H274 PolarHBondContact OG-CD2 3.11Å; S272-H274 VanDerWaalsContact OG-CD2 3.29Å; H274-L276 VanDerWaalsContact C-N 3.27Å; H274-L276 PolarHBondContact O-N 3.1Å
275L31.4Very low28.4Very low151 Ų151155.3 Ų155.379%0.79179%0.794SS**  trans-52.9111145.7-70.2174.2000103.5R273 S277R273-L275 PolarHBondContact O-N 3.18Å; L275-S277 PolarHBondContact O-N 2.79Å
276L33.2Very low28.4Very low160 Ų160152.8 Ų152.884%0.83879%0.789SS**  trans-55.190169.9-71.4161.7000105.7H274 R278H274-L276 VanDerWaalsContact C-N 3.27Å; H274-L276 PolarHBondContact O-N 3.1Å; L276-R278 PolarHBondContact O-N 2.95Å
277S28.8Very low28.6Very low101 Ų101155.6 Ų155.671%0.70679%0.789SS**  trans-63.995.8170.2-175.40000103.4L275 R279L275-S277 PolarHBondContact O-N 2.79Å; S277-R279 PolarHBondContact O-N 3.12Å
278R30Very low28.8Very low236 Ų236155.8 Ų155.889%0.89179%0.79SS**  trans-62.685.5169-65.717971174.42.1104.5L276 S280L276-R278 PolarHBondContact O-N 2.95Å; R278-S280 PolarHBondContact O-N 3.08Å
279R26.9Very low28.8Very low225 Ų225156.1 Ų156.185%0.84979%0.792SS**  trans-54.6111.4169.4-71.1174.9109.4165.91.4104.5S277 L281S277-R279 PolarHBondContact O-N 3.12Å; R279-L281 PolarHBondContact O-N 2.96Å
280S31Very low29.2Very low80 Ų80154.1 Ų154.156%0.55978%0.783SS**  trans-46.7122.9173.3-177.70000108.1R278 F282R278-S280 PolarHBondContact O-N 3.08Å; S280-F282 PolarHBondContact O-N 3.38Å; S280-F282 VanDerWaalsContact O-N 3.14Å; S280-F282 VanDerWaalsContact OG-CD2 3.23Å; S280-F282 WeakPolarHBondContact OG-CD2 3.18Å; S280-F282 PolarHBondContact OG-N 3.13Å
281L32.8Very low29.4Very low173 Ų173154.3 Ų154.391%0.90679%0.787SS**SBendtrans-73.810.6173.5-67.4174.1000112.2R279 S283R279-L281 PolarHBondContact O-N 2.96Å; L281-S283 PolarHBondContact O-N 3.02Å
282F31.7Very low29.6Very low168 Ų168151.6 Ų151.674%0.73778%0.778SS**  trans-84.992.3166-58.6-63.6000106.9S280 D284S280-F282 PolarHBondContact O-N 3.38Å; S280-F282 VanDerWaalsContact O-N 3.14Å; S280-F282 VanDerWaalsContact OG-CD2 3.23Å; S280-F282 WeakPolarHBondContact OG-CD2 3.18Å; S280-F282 PolarHBondContact OG-N 3.13Å; F282-D284 PolarHBondContact O-N 3.03Å
283S29.7Very low29.6Very low112 Ų112152.1 Ų152.178%0.78378%0.782SS**  trans-56.6109.4161.5-61.20000107.2L281 S285L281-S283 PolarHBondContact O-N 3.02Å; S283-S285 PolarHBondContact O-N 3.27Å
284D24.9Very low29.6Very low153 Ų153150 Ų15082%0.81878%0.775SS**  trans-59.2119164.9-75.3-37.1000107.3F282 S286F282-D284 PolarHBondContact O-N 3.03Å; D284-S286 PolarHBondContact O-N 3.13Å
285S27Very low29.5Very low122 Ų122148 Ų14885%0.85377%0.774SS**  trans-60.198.7179-55.40000110.3S283 E287S283-S285 PolarHBondContact O-N 3.27Å; S285-E287 PolarHBondContact O-N 3.41Å
286S27.7Very low29.4Very low100 Ų100146.1 Ų146.170%0.69977%0.769SS**  trans-83.6102.1156.858.70000107.8D284 I288D284-S286 PolarHBondContact O-N 3.13Å; S286-I288 PolarHBondContact O-N 3.38Å
287E28.7Very low29.6Very low184 Ų184143.5 Ų143.586%0.8676%0.759SS**  trans-56.387.8160.7-176.2173.5-162.700108S285 N289S285-E287 PolarHBondContact O-N 3.41Å; E287-N289 PolarHBondContact O-N 2.97Å; E287-N289 VanDerWaalsContact O-N 3.17Å
288I31.3Very low29.6Very low132 Ų132145.4 Ų145.468%0.67776%0.761SS**  trans-8297.9173.5-147.6128.4000106.9S286 E290S286-I288 PolarHBondContact O-N 3.38Å; I288-E290 HydrophobicContact CG1-CG 4.11Å; I288-E290 PolarHBondContact O-N 2.95Å
289N27.5Very low29.9Very low152 Ų152141.1 Ų141.181%0.81376%0.756SS**  trans-76.668.3173.5-160.718.4000108E287E287-N289 PolarHBondContact O-N 2.97Å; E287-N289 VanDerWaalsContact O-N 3.17Å
290E33.9Very low30Very low159 Ų159137.4 Ų137.474%0.74375%0.753SS**  trans-102.688.1170.6-77.3-167.4177.400108.4I288 P292I288-E290 HydrophobicContact CG1-CG 4.11Å; I288-E290 PolarHBondContact O-N 2.95Å; E290-P292 WeakPolarHBondContact O-CD 3.45Å
291E29.1Very low30Very low174 Ų174141.9 Ų141.981%0.81377%0.765SS**  trans-54.4117.7165.8-160.5-177.5-166.100108.4S293E291-S293 PolarHBondContact O-N 3.46Å
292P32.5Very low30Very low107 Ų107142.1 Ų142.170%0.69577%0.766SS**  trans-68.399.8176.725.1-30.4000108.3E290 Y294E290-P292 WeakPolarHBondContact O-CD 3.45Å; P292-Y294 VanDerWaalsContact C-N 3.34Å; P292-Y294 VanDerWaalsContact O-CD1 3.32Å; P292-Y294 WeakPolarHBondContact O-CD1 3.37Å; P292-Y294 PolarHBondContact O-N 3.39Å
293S26Very low29.8Very low107 Ų107141 Ų14175%0.74877%0.768SS**  trans-66.695.4171.1-167.50000108.5E291 T295E291-S293 PolarHBondContact O-N 3.46Å; S293-T295 PolarHBondContact O-N 2.96Å; S293-T295 VanDerWaalsContact O-N 3.12Å
294Y29.3Very low29.9Very low198 Ų198143.7 Ų143.778%0.77677%0.768SS**  trans-72.298.7168.947.8-86.5000107.9P292 V296P292-Y294 VanDerWaalsContact C-N 3.34Å; P292-Y294 VanDerWaalsContact O-CD1 3.32Å; P292-Y294 WeakPolarHBondContact O-CD1 3.37Å; P292-Y294 PolarHBondContact O-N 3.39Å; Y294-V296 HydrophobicContact CD2-CG2 4.21Å; Y294-V296 PolarHBondContact O-N 3.11Å; Y294-V296 VanDerWaalsContact O-N 3.1Å
295T26.5Very low30.2Very low114 Ų114144.1 Ų144.170%0.69977%0.765SS**  trans-68.5106.8162.347.40000107.8S293 V297S293-T295 PolarHBondContact O-N 2.96Å; S293-T295 VanDerWaalsContact O-N 3.12Å; T295-V297 PolarHBondContact O-N 2.9Å
296V29.9Very low30.3Very low112 Ų112147.6 Ų147.668%0.67977%0.768SS**  trans-60.997.9165.7179.30000107.1Y294Y294-V296 HydrophobicContact CD2-CG2 4.21Å; Y294-V296 PolarHBondContact O-N 3.11Å; Y294-V296 VanDerWaalsContact O-N 3.1Å
297V36.2Very low30.3Very low105 Ų105153.8 Ų153.864%0.63678%0.776SS**  trans-9996.3168.4-169.60000106.4T295 D299T295-V297 PolarHBondContact O-N 2.9Å; V297-D299 VanDerWaalsContact C-N 3.31Å; V297-D299 PolarHBondContact O-N 2.85Å
298D30Very low30.2Very low140 Ų140151.7 Ų151.775%0.74978%0.776SS**  trans-64.586.7167.1-91.5-38.9000109.3
299D35.4Very low30.2Very low147 Ų147153 Ų15379%0.78678%0.783SS**  trans-106.377.3162.3-74.6-33.7000108.9V297V297-D299 VanDerWaalsContact C-N 3.31Å; V297-D299 PolarHBondContact O-N 2.85Å
300N29.9Very low30.1Very low146 Ų146152.1 Ų152.178%0.78178%0.784SS**  trans-57.6145.7155.1-116.5-6.9000109.7
301E30Very low29.8Very low174 Ų174149.8 Ų149.881%0.81379%0.785SS**  trans73.476.4160.7-61.7-168.9147.600119.2
302L32.4Very low29.7Very low178 Ų178146.4 Ų146.493%0.93278%0.781SS**  trans-129.495.5132.5-89.5176.7000110.3
303N28.1Very low29.7Very low144 Ų144148.9 Ų148.977%0.7779%0.788SS**  trans-107.887.8177.5-172.39.2000108
304E31.9Very low29.9Very low169 Ų169151 Ų15179%0.7979%0.791SS**  trans-134.687.5167.8-72.2-162.516500111.2
305Q30.8Very low30.1Very low163 Ų163149.2 Ų149.276%0.76279%0.794SS**  43.988.1122.3-61171.412.500117.7
306Q28.6Very low30.1Very low194 Ų194148.6 Ų148.691%0.90779%0.794SS**  trans-126.990.3139.8-73.3-166.2-5.400109.5
307R28.3Very low30.1Very low230 Ų230153.7 Ų153.787%0.86880%0.802SS**  trans-82.3123.1164.2-71.2177.5164.1-178.2-5.8107.3
308T27.3Very low29.6Very low141 Ų141156.1 Ų156.187%0.86581%0.806SS**  trans-131.1134158.5-610000108.5
309L29.8Very low29.5Very low158 Ų158158.3 Ų158.383%0.82781%0.811SS**  trans-86.1138.8-154.7-63160.5000111.9S311L309-S311 PolarHBondContact O-N 2.93Å
310T26.1Very low29.1Very low135 Ų135157.7 Ų157.783%0.82880%0.803SS**  trans-62.7118.7160.951.30000110.1
311S28.6Very low29.1Very low110 Ų110158.6 Ų158.677%0.76980%0.802SS**  trans-99.4110.7162.1160.70000107.9L309L309-S311 PolarHBondContact O-N 2.93Å
312S26.2Very low29.1Very low103 Ų103156.4 Ų156.472%0.7280%0.796SS**  trans-73.1140.1158.4-52.50000108.5
313D32.8Very low28.7Very low158 Ų158155.1 Ų155.185%0.84579%0.79SS**  trans-158.6124.7149.3-93-33000111
314D29.4Very low28.8Very low152 Ų152155.5 Ų155.581%0.81379%0.791SS**  trans-58.3126.9177.8-90.4-55000113.7
315L34.5Very low28.5Very low161 Ų161154.3 Ų154.384%0.84379%0.791SS**  trans-127.374.5155.7-91.9156.6000109.4
316S25.6Very low28.3Very low100 Ų100154.8 Ų154.870%0.69979%0.79SS**  trans-91.3103.4156.160.20000109.2
317R30.2Very low28Very low220 Ų220151.5 Ų151.583%0.8379%0.789SS**  trans-145.5102.3159-71.8-168.9-131.9-120.7-3.4110.4
318H25.1Very low28Very low156 Ų156144.9 Ų144.972%0.72278%0.778SS**  trans6.5122.1144.4-72.4-71.6000118H320H318-H320 AromaticContact ND1-CD2 3.73Å; H318-H320 AromaticContact ND1-NE2 3.79Å
319H29.2Very low27.8Very low185 Ų185146.4 Ų146.486%0.85678%0.779SS**  -144.3109.4124.2-110.4-57.5000110.4
320H25.6Very low27.7Very low135 Ų135144.8 Ų144.863%0.62578%0.775SS**  trans-66.7139.6158.9-74.3-95.5000109H318H318-H320 AromaticContact ND1-CD2 3.73Å; H318-H320 AromaticContact ND1-NE2 3.79Å
321H30.3Very low27.6Very low165 Ų165142.5 Ų142.576%0.76477%0.77SS**  trans-168.396.1135.4-89.8-55.1000109.6
322D29.5Very low27.2Very low127 Ų127145.5 Ų145.568%0.67977%0.772SS**  trans33.2109133-52-43.5000120.1L324D322-L324 PolarHBondContact O-N 3.06Å
323N24.6Very low27.3Very low152 Ų152146.5 Ų146.581%0.81378%0.776SS**  trans-10.2111.5141.4-72.9-29000116.1
324L31Very low26.8Very low151 Ų151145.2 Ų145.279%0.79177%0.774SS**  trans-108.988.2156.4-71.9173.5000109D322 F326D322-L324 PolarHBondContact O-N 3.06Å; L324-F326 HydrophobicContact CB-CD2 4.39Å; L324-F326 HydrophobicContact CD2-CE2 4.19Å; L324-F326 PolarHBondContact O-N 3.27Å
325N23.9Very low26.4Very low145 Ų145143.7 Ų143.778%0.77577%0.774SS**  trans-69.8102.8160.5-87.3-23.6000108.4
326F27.5Very low26Very low173 Ų173140.5 Ų140.576%0.75977%0.765SS**  trans-114.386.6160.5-85.4-78000109.2L324 S328L324-F326 HydrophobicContact CB-CD2 4.39Å; L324-F326 HydrophobicContact CD2-CE2 4.19Å; L324-F326 PolarHBondContact O-N 3.27Å; F326-S328 PolarHBondContact O-N 3.24Å
327S22.6Very low25.9Very low124 Ų124143 Ų14387%0.86777%0.771SS**  trans-79.1100.7153340000107.8
328S27.6Very low25.8Very low92 Ų92142.7 Ų142.764%0.64377%0.771SS**  trans-140.6109.8171.5175.20000109.1F326 V330F326-S328 PolarHBondContact O-N 3.24Å; S328-V330 PolarHBondContact O-N 2.7Å
329I22.9Very low25.8Very low172 Ų172142.5 Ų142.588%0.88277%0.774SS**  trans-71.9112.2172.1-67.3158000107.5
330V27.8Very low25.5Very low125 Ų125138.6 Ų138.676%0.75877%0.768SS**  trans-142.1106.1162.9-176.90000110.5S328S328-V330 PolarHBondContact O-N 2.7Å
331A25.1Very low25.3Very low86 Ų86137.5 Ų137.571%0.71178%0.775SS**  trans24.1123147.700000120.4
332Q20.6Very low25.1Very low174 Ų174136.3 Ų136.381%0.81378%0.78SS**  trans-62132.3158.1-64.4-133.8-31.100111.7
333P27.3Very low24.7Very low123 Ų123138.3 Ų138.380%0.79979%0.785SS**  trans-93.2108.7159.617.4-0.5000110.3
334T22.2Very low24.9Very low132 Ų132139.5 Ų139.581%0.8179%0.788SS**  trans9.6123.9144.3-34.10000118.8S336T334-S336 PolarHBondContact O-N 3.11Å
335C21.4Very low24.5Very low120 Ų120137.6 Ų137.681%0.81178%0.778SS**  trans-50.4125.4165.5-540000112.5
336S25.3Very low24.6Very low93 Ų93141.7 Ų141.765%0.6579%0.785SS**  trans-103.8101.1167.5-129.40000109.3T334 Y338T334-S336 PolarHBondContact O-N 3.11Å; S336-Y338 PolarHBondContact O-N 3.16Å; S336-Y338 WeakPolarHBondContact OG-CE2 3.39Å
337N23.5Very low24.6Very low154 Ų154136.7 Ų136.782%0.82478%0.782SS**  trans-74.296.6165.5-75.7-28.1000108.3
338Y29Very low24.7Very low212 Ų212136 Ų13683%0.83178%0.777SS**  trans-93.8118.5162.9-82.6-82.3000110.2S336S336-Y338 PolarHBondContact O-N 3.16Å; S336-Y338 WeakPolarHBondContact OG-CE2 3.39Å
339L26Very low24.8Very low153 Ų153136.1 Ų136.180%0.80178%0.778SS**  trans-60.2144.2174.8-69148.4000112.1
340S21.5Very low25Very low102 Ų102136.5 Ų136.571%0.71378%0.776SS**  trans56.3125.4133.7-59.50000121.7
341S21.6Very low25Very low113 Ų113135.5 Ų135.579%0.7977%0.77SS**  trans62.1108.7140.5-73.30000118.9
342T26.2Very low24.9Very low140 Ų140141.3 Ų141.386%0.85978%0.779SS**  -156.1115.6120.917.50000110.1
343Q22Very low25.2Very low168 Ų168141.7 Ų141.779%0.78578%0.779SS**  trans-66.2125.6163.2176.71767.900108.7
344M27.1Very low25.1Very low178 Ų178140.7 Ų140.788%0.87777%0.774SS**  trans-131.3109.8164.3-83-75.6-76.400107.6
345D23.3Very low25.4Very low110 Ų110141.8 Ų141.859%0.58877%0.774SS**  trans-75.6160.6171.9-84.3-52.4000111.6
346Y25.8Very low25.7Very low231 Ų231142.7 Ų142.791%0.90677%0.771SS**  trans83.3107.6165.3-62.6-78.9000118.6
347G27.8Very low25.8Very low68 Ų68148.3 Ų148.370%0.70178%0.783SS**  trans-176.153.6165.400000112.3S349G347-S349 PolarHBondContact O-N 2.92Å
348S24.8Very low26Very low109 Ų109146.1 Ų146.176%0.76278%0.78SS**  trans-67.199.3167.6-177.50000109.1
349S30.5Very low25.8Very low96 Ų96141.2 Ų141.267%0.67178%0.777SS**  trans-129.5105.6163.342.10000108.4G347 T351G347-S349 PolarHBondContact O-N 2.92Å; S349-T351 PolarHBondContact O-N 2.81Å
350H25.5Very low25.9Very low179 Ų179139.4 Ų139.483%0.82977%0.774SS**  trans-60.491.8172.4-63.3-82.8000110.5
351T27.9Very low26.2Very low105 Ų105143.9 Ų143.964%0.64478%0.781SS**  trans-106.692.4166.3-14.70000108.6S349 F353S349-T351 PolarHBondContact O-N 2.81Å; T351-F353 HydrophobicContact CG2-CE2 4.23Å; T351-F353 PolarHBondContact O-N 2.99Å
352K24.7Very low26.5Very low207 Ų207145.7 Ų145.790%0.978%0.782SS**  trans-66.590.3176.2-165.6178.6-173.1-1780108.4S354K352-S354 PolarHBondContact O-N 3.35Å
353F27Very low26.5Very low183 Ų183147.4 Ų147.480%0.80378%0.78SS**  trans-77.1110.9169.5-82.1-81.9000109.1T351 I355T351-F353 HydrophobicContact CG2-CE2 4.23Å; T351-F353 PolarHBondContact O-N 2.99Å; F353-I355 PolarHBondContact O-N 2.75Å
354S24.5Very low26.8Very low101 Ų101143.9 Ų143.971%0.70677%0.774SS**  trans-67.3117.4169.2-166.90000107.9K352 D356K352-S354 PolarHBondContact O-N 3.35Å; S354-D356 PolarHBondContact O-N 3.3Å
355I28.8Very low26.7Very low155 Ų155141.1 Ų141.180%0.79577%0.772SS**  trans-78.1108171.4-64.5167.9000106.3F353 K357F353-I355 PolarHBondContact O-N 2.75Å; I355-K357 PolarHBondContact O-N 2.87Å
356D26.2Very low26.8Very low140 Ų140140 Ų14075%0.74977%0.773SS**  trans-58.9129.1173.3-85.5-38.1000110.3S354 S358S354-D356 PolarHBondContact O-N 3.3Å; D356-S358 PolarHBondContact O-N 2.92Å
357K28.1Very low26.9Very low211 Ų211136.9 Ų136.992%0.91777%0.771SS**  trans-70.777173.5-67.1-174.7175.5-175.10109.5I355 S359I355-K357 PolarHBondContact O-N 2.87Å; K357-S359 PolarHBondContact O-N 2.97Å
358S27.1Very low26.9Very low107 Ų107141 Ų14175%0.74878%0.776SS**  trans-80.998.3161.360.40000108.3D356 P360D356-S358 PolarHBondContact O-N 2.92Å; S358-P360 WeakPolarHBondContact O-CD 3.05Å
359S24.7Very low27.1Very low110 Ų110143.3 Ų143.377%0.76978%0.778SS**PPolyproline II helixtrans-56122.9169.3-170.60000109.3K357 K361K357-S359 PolarHBondContact O-N 2.97Å; S359-K361 PolarHBondContact O-N 3.23Å
360P29.5Very low26.9Very low115 Ų115147.7 Ų147.775%0.74779%0.785SS**PPolyproline II helixtrans-63.3132.1169.83.93.7000108.8S358 N362S358-P360 WeakPolarHBondContact O-CD 3.05Å; P360-N362 PolarHBondContact O-N 3.31Å
361K27.8Very low27Very low195 Ų195148.3 Ų148.385%0.84879%0.788SS**PPolyproline II helixtrans-58.6120.6170.3-90.2173.51701770108.5S359 E363S359-K361 PolarHBondContact O-N 3.23Å; K361-E363 PolarHBondContact O-N 2.84Å; K361-E363 VanDerWaalsContact O-N 3.1Å
362N27.6Very low26.9Very low151 Ų151149 Ų14981%0.80779%0.793SS**  trans-69.895.5175.9-128.7-9.9000108.6P360P360-N362 PolarHBondContact O-N 3.31Å
363E26.5Very low26.9Very low177 Ų177143.8 Ų143.883%0.82779%0.788SS**  trans-111.563.4161.5-74.8-178-170.900107.7K361K361-E363 PolarHBondContact O-N 2.84Å; K361-E363 VanDerWaalsContact O-N 3.1Å
364S28.1Very low26.7Very low93 Ų93138.8 Ų138.865%0.6578%0.781SS**  trans-100.396.8163.1-65.80000107S366S364-S366 PolarHBondContact O-N 2.8Å
365S25.4Very low26.8Very low121 Ų121142 Ų14285%0.84679%0.789SS**  trans-65.267.2164.740.40000109.9L367S365-L367 PolarHBondContact O-N 2.85Å
366S25.4Very low26.6Very low86 Ų86143.3 Ų143.360%0.60179%0.792SS**  trans-77.799163.759.20000107.4S364 L368S364-S366 PolarHBondContact O-N 2.8Å; S366-L368 VanDerWaalsContact C-N 3.26Å; S366-L368 PolarHBondContact O-N 2.95Å
367L26.7Very low26.6Very low165 Ų165144 Ų14486%0.86479%0.792SS**  trans-54.995.7161-96.4138.8000107.7S365 I369S365-L367 PolarHBondContact O-N 2.85Å; L367-I369 VanDerWaalsContact C-N 3.28Å; L367-I369 PolarHBondContact O-N 3.48Å
368L27.6Very low26.4Very low154 Ų154139.6 Ų139.681%0.80679%0.787SS**  trans-6493.4167.3-72.6162.2000106.7S366 K370S366-L368 VanDerWaalsContact C-N 3.26Å; S366-L368 PolarHBondContact O-N 2.95Å; L368-K370 PolarHBondContact O-N 2.79Å
369I28.8Very low26.3Very low159 Ų159140.9 Ų140.982%0.81579%0.785SS**  trans-59.9111.7163.4-65.2170000104.9L367 E371L367-I369 VanDerWaalsContact C-N 3.28Å; L367-I369 PolarHBondContact O-N 3.48Å; I369-E371 PolarHBondContact O-N 2.74Å
370K28Very low26.3Very low188 Ų188140.7 Ų140.782%0.81778%0.781SS**  trans-51.6110.5178-82174.5172.8175.90108.7L368 T372L368-K370 PolarHBondContact O-N 2.79Å; K370-T372 PolarHBondContact O-N 3.24Å
371E26Very low26.2Very low191 Ų191142.2 Ų142.289%0.89379%0.788SS**  trans-63.484.3166.4-170.1178.9-173.200108I369 A373I369-E371 PolarHBondContact O-N 2.74Å; E371-A373 PolarHBondContact O-N 3.18Å; E371-A373 VanDerWaalsContact O-N 3.15Å
372T26.4Very low26.2Very low121 Ų121137.4 Ų137.474%0.74278%0.778SS**  trans-78.497169.7-59.50000107.5K370 A374K370-T372 PolarHBondContact O-N 3.24Å; T372-A374 PolarHBondContact O-N 2.93Å
373A24.3Very low26Very low96 Ų96142 Ų14279%0.79379%0.785SS**  trans-53.3111.5166.200000110.9E371E371-A373 PolarHBondContact O-N 3.18Å; E371-A373 VanDerWaalsContact O-N 3.15Å
374A24.1Very low26Very low79 Ų79137.9 Ų137.965%0.65378%0.781SS**  trans-165.352.9164.700000112.2T372T372-A374 PolarHBondContact O-N 2.93Å
375L25.6Very low26.1Very low169 Ų169140.6 Ų140.689%0.88579%0.788SS**  trans-124.378.6156.7-73176.8000108.1M377L375-M377 PolarHBondContact O-N 3.02Å
376Q25.2Very low26.1Very low181 Ų181141.9 Ų141.985%0.84679%0.791SS**  trans-52107.2162.6-174.4150.8-18.400107.7C378Q376-C378 VanDerWaalsContact C-N 3.35Å; Q376-C378 PolarHBondContact O-N 3.02Å
377M25.1Very low26.6Very low154 Ų154143.8 Ų143.876%0.75980%0.799SS**  trans-59.795.5175.4-67.2-81.9-74.300108.5L375 L379L375-M377 PolarHBondContact O-N 3.02Å; M377-L379 HydrophobicContact CE-CD2 4.36Å; M377-L379 PolarHBondContact O-N 2.97Å
378C24.6Very low26.5Very low119 Ų119139 Ų13980%0.80479%0.789SS**  trans-70.379.9161.8-71.30000107.3Q376 P380Q376-C378 VanDerWaalsContact C-N 3.35Å; Q376-C378 PolarHBondContact O-N 3.02Å; C378-P380 WeakPolarHBondContact O-CD 3.27Å
379L24.7Very low26.8Very low134 Ų134139.2 Ų139.270%0.70279%0.791SS**  trans-64.8124.4167.2-74.9170.5000107.8M377 V381M377-L379 HydrophobicContact CE-CD2 4.36Å; M377-L379 PolarHBondContact O-N 2.97Å; L379-V381 PolarHBondContact O-N 3.4Å; L379-V381 VanDerWaalsContact O-N 3.16Å
380P25.9Very low26.7Very low107 Ų107136.6 Ų136.670%0.69579%0.787SS**  trans-65.4117.9175.923.1-29.1000109.2C378 S382C378-P380 WeakPolarHBondContact O-CD 3.27Å; P380-S382 VanDerWaalsContact C-N 3.33Å; P380-S382 PolarHBondContact O-N 3.08Å; P380-S382 PolarHBondContact O-OG 2.93Å
381V26.6Very low27Very low147 Ų147134.7 Ų134.789%0.89179%0.786SS**  trans-54.898.9167.7173.90000107.5L379L379-V381 PolarHBondContact O-N 3.4Å; L379-V381 VanDerWaalsContact O-N 3.16Å
382S27Very low27.5Very low93 Ų93130.3 Ų130.365%0.6578%0.776SS**  trans-108.4102.1178.225.10000108.8P380P380-S382 VanDerWaalsContact C-N 3.33Å; P380-S382 PolarHBondContact O-N 3.08Å; P380-S382 PolarHBondContact O-OG 2.93Å
383W24.9Very low27.8Very low249 Ų249129.1 Ų129.194%0.94377%0.773SS**  trans6582.9133.3-58.121.1000116.1
384A26.1Very low28.5Very low90 Ų90132 Ų13274%0.74477%0.774SS**  trans-148.298152.600000108
385D28.8Very low29.1Very low150 Ų150136 Ų13680%0.80279%0.785SS**  trans163.281.6134.9-82.5-13.9000109.8V387D385-V387 PolarHBondContact O-N 3.41Å
386T26.7Very low29.4Very low148 Ų148131.7 Ų131.791%0.90878%0.782SS**  trans-73.798.5152.444.80000108
387V34.3Very low29.6Very low125 Ų125127 Ų12776%0.75878%0.781SS**  trans-129.9113.6160.7-165.60000106.9D385D385-V387 PolarHBondContact O-N 3.41Å
388G26.6Very low30.2Very low64 Ų64125.3 Ų125.366%0.6679%0.785SS**  trans-71.9141.9-174.700000113.2
389N32.2Very low30.8Very low160 Ų160126.4 Ų126.486%0.85678%0.783SS**  trans-137107.9144.5-88.39.3000102.9
390S28.4Very low31.2Very low103 Ų103126.9 Ų126.972%0.7279%0.786SS**  37.394.674.9-60.20000112.5
391D32.5Very low31.8Very low149 Ų149129 Ų12980%0.79779%0.792SS**  163.9147.9112.3-87.6-20.6000112.9
392S36.6Very low32Very low98 Ų98125.2 Ų125.269%0.68578%0.782SS**  trans61.3106.315753.20000117.7
393S33.3Very low32.6Very low97 Ų97125.9 Ų125.968%0.67879%0.787SS**  53.5107.884.872.90000112.8
394D39.4Very low33Very low155 Ų155121.3 Ų121.383%0.82978%0.781SS**  -166.8143.9122.7-95.1-15.4000112.4
395D35.9Very low33.5Very low163 Ų163123.6 Ų123.687%0.87278%0.781SS**  trans-51.7155.4-179.9-66-58.1000115.4
396G33.5Very low33.7Very low79 Ų79125.5 Ų125.581%0.81479%0.785SS**  trans172.665.2165.800000114.2
397G28.5Very low34Very low82 Ų82125.8 Ų125.885%0.84578%0.779SS**  trans-70.2144.7160.700000110.9
398S37.2Very low33.9Very low119 Ų119129.9 Ų129.983%0.83278%0.781SS**  trans-170.7116.5141.4-174.60000108.4
399D36.7Very low34Very low143 Ų143133.6 Ų133.677%0.76579%0.786SS**  trans-60.6170.6163.8-62.1-61000112.1
400N34Very low34.1Very low144 Ų144135.5 Ų135.577%0.7778%0.782SS**  trans74.8118.1156.5-77.6-15.3000118.3
401D39.2Very low34.5Very low152 Ų152136.7 Ų136.781%0.81378%0.781SS**  -170.8130.982.3-102.2-28.9000111.2S403D401-S403 PolarHBondContact O-N 3.17Å
402G29.4Very low34.7Very low66 Ų66136.7 Ų136.768%0.6878%0.78SS**  trans-70.9111.1168.800000110.3N404G402-N404 PolarHBondContact O-N 2.94Å
403S40.8Very low34.5Very low108 Ų108138.4 Ų138.476%0.75578%0.782SS**  trans-84.491.2163.349.80000109.4D401 N405D401-S403 PolarHBondContact O-N 3.17Å; S403-N405 PolarHBondContact O-N 2.99Å; S403-N405 VanDerWaalsContact O-N 3.1Å
404N33.8Very low34.4Very low152 Ų152143.7 Ų143.781%0.81379%0.793SS**  trans-61.798.5159.9-68.6-40.9000108.9G402G402-N404 PolarHBondContact O-N 2.94Å
405N36.5Very low34.1Very low139 Ų139141.6 Ų141.674%0.74379%0.786SS**  trans-98.394.3163-91-12000109.1S403 I407S403-N405 PolarHBondContact O-N 2.99Å; S403-N405 VanDerWaalsContact O-N 3.1Å; N405-I407 PolarHBondContact O-N 2.66Å
406E32.9Very low33.8Very low189 Ų189141 Ų14188%0.88378%0.783SS**  trans-55.295.3160.8-72.9175.7139.900109.9R408E406-R408 PolarHBondContact O-N 2.83Å
407I33.6Very low33.8Very low155 Ų155142 Ų14280%0.79578%0.775SS**  trans-97.895.4166.8-60.8-179.6000108.4N405N405-I407 PolarHBondContact O-N 2.66Å
408R31.4Very low34Very low211 Ų211144.7 Ų144.780%0.79677%0.77SS**  trans-2.7121.7155.5-62.8176.7-178.6-176.7-1116.7E406 Y410E406-R408 PolarHBondContact O-N 2.83Å; R408-Y410 PolarHBondContact O-N 2.92Å
409N29.2Very low33.7Very low142 Ų142147 Ų14776%0.75977%0.773SS**  trans-46.8119.9157.5-67.6-28.7000111.3
410Y34.4Very low33.3Very low200 Ų200144.9 Ų144.978%0.78477%0.77SS**  trans-104.8105.9149.7-85.4-83.3000107R408 D412R408-Y410 PolarHBondContact O-N 2.92Å; Y410-D412 VanDerWaalsContact C-N 3.31Å; Y410-D412 PolarHBondContact O-N 2.95Å; Y410-D412 VanDerWaalsContact O-N 3.08Å
411D34.8Very low32.9Very low128 Ų128144.1 Ų144.168%0.68477%0.77SS**  trans-72.479.8172.4-67.6-49.4000109.6N413D411-N413 PolarHBondContact O-N 2.88Å
412D37.4Very low32.2Very low148 Ų148140.5 Ų140.579%0.79176%0.756SS**  trans-89.193.1163.4-80.7-32.7000109.4Y410 F414Y410-D412 VanDerWaalsContact C-N 3.31Å; Y410-D412 PolarHBondContact O-N 2.95Å; Y410-D412 VanDerWaalsContact O-N 3.08Å; D412-F414 PolarHBondContact O-N 2.82Å
413N32.2Very low32.1Very low134 Ų134145.4 Ų145.472%0.71776%0.764SS**  trans-54.496.3169.4-73.1-59.7000111.7D411D411-N413 PolarHBondContact O-N 2.88Å
414F32.6Very low31.4Very low208 Ų208147.7 Ų147.791%0.91276%0.762SS**  trans-131.763.1151.8-87.5-83.1000108.7D412 D416D412-F414 PolarHBondContact O-N 2.82Å; F414-D416 PolarHBondContact O-N 3.18Å
415T32.4Very low31.1Very low112 Ų112146.1 Ų146.169%0.68776%0.758SS**  trans-83.7101.4166.3-49.60000107P417T415-P417 WeakPolarHBondContact O-CD 3.35Å; T415-P417 WeakPolarHBondContact O-CG 3.3Å; T415-P417 VanDerWaalsContact O-N 3.15Å
416D29.9Very low30.7Very low151 Ų151147.3 Ų147.381%0.80776%0.764SS**  trans-62103.1170.6-159.7-3.5000108.7F414F414-D416 PolarHBondContact O-N 3.18Å
417P33.5Very low30.4Very low99 Ų99145.2 Ų145.264%0.64376%0.758SS**  trans-107.269-166.736.3-20.5000109.2T415T415-P417 WeakPolarHBondContact O-CD 3.35Å; T415-P417 WeakPolarHBondContact O-CG 3.3Å; T415-P417 VanDerWaalsContact O-N 3.15Å
418D32.8Very low29.9Very low139 Ų139148.9 Ų148.974%0.74376%0.762SS**  trans-151.723.8171-91.3-35.4000114.4S420D418-S420 PolarHBondContact O-N 3.31Å; D418-S420 VanDerWaalsContact O-N 3.08Å
419N30Very low29.5Very low166 Ų166145.1 Ų145.189%0.88876%0.763SS**  trans-84.856.5167.3-161.425.5000112.1
420S28.4Very low29.2Very low100 Ų100144 Ų14470%0.69976%0.762SS**  trans-138.476.2163.165.60000109.7D418 S422D418-S420 PolarHBondContact O-N 3.31Å; D418-S420 VanDerWaalsContact O-N 3.08Å; S420-S422 VanDerWaalsContact C-N 3.34Å; S420-S422 PolarHBondContact O-N 3.2Å
421V24.9Very low28.7Very low127 Ų127140 Ų14077%0.7776%0.757SS**  trans-69.198.5168.1179.90000107.9M423V421-M423 PolarHBondContact O-N 3.25Å
422S26.2Very low28Very low76 Ų76142.1 Ų142.153%0.53176%0.763SS.*  trans-52.4115.8170.4174.50000110.1S420 H424S420-S422 VanDerWaalsContact C-N 3.34Å; S420-S422 PolarHBondContact O-N 3.2Å; S422-H424 PolarHBondContact O-N 2.84Å
423M26Very low27.4Very low169 Ų169143.4 Ų143.483%0.83376%0.764SS**  trans-71.880.1170.3-68.2-70.9-72.600108.6V421 T425V421-M423 PolarHBondContact O-N 3.25Å; M423-T425 VanDerWaalsContact C-N 3.3Å; M423-T425 PolarHBondContact O-N 2.82Å
424H26.4Very low26.8Very low156 Ų156144 Ų14472%0.72277%0.767SS**  trans-61.7100.9164.8-81-66.5000108S422 L426S422-H424 PolarHBondContact O-N 2.84Å; H424-L426 VanDerWaalsContact C-N 3.27Å; H424-L426 PolarHBondContact O-N 3.24Å
425T27.1Very low26.5Very low119 Ų119139.4 Ų139.473%0.7376%0.759SS**  trans-63.493.5168.5-54.30000105.9M423 N427M423-T425 VanDerWaalsContact C-N 3.3Å; M423-T425 PolarHBondContact O-N 2.82Å; T425-N427 PolarHBondContact O-N 2.78Å
426L28.2Very low26.1Very low164 Ų164143.3 Ų143.386%0.85977%0.766SS**  trans-64.3106.5175.8-75.8171.1000107.4H424 R428H424-L426 VanDerWaalsContact C-N 3.27Å; H424-L426 PolarHBondContact O-N 3.24Å; L426-R428 PolarHBondContact O-N 3.31Å
427N25.9Very low25.8Very low145 Ų145143 Ų14378%0.77577%0.765SS**  trans-52.1103174.9-72.7-51.3000109.9T425 T429T425-N427 PolarHBondContact O-N 2.78Å; N427-T429 PolarHBondContact O-N 2.87Å; N427-T429 VanDerWaalsContact O-N 3.16Å
428R23.4Very low25.6Very low232 Ų232145.3 Ų145.388%0.87577%0.77SS**  trans35.973130.8-145.8176.7-170.3177.81.7114.1L426 T430L426-R428 PolarHBondContact O-N 3.31Å; R428-T430 PolarHBondContact O-N 3.06Å
429T23.3Very low25.3Very low132 Ų132144.9 Ų144.981%0.8177%0.768SS**  trans-77.298.5160.5360000108.2N427 V431N427-T429 PolarHBondContact O-N 2.87Å; N427-T429 VanDerWaalsContact O-N 3.16Å; T429-V431 PolarHBondContact O-N 3.32Å; T429-V431 VanDerWaalsContact O-N 3.08Å
430T23.4Very low25.1Very low119 Ų119145.3 Ų145.373%0.7376%0.764SS**  trans-56.7106.1169.3-43.50000108.6R428R428-T430 PolarHBondContact O-N 3.06Å
431V23.7Very low25.1Very low115 Ų115148 Ų14870%0.69777%0.77SS**  trans-89.2104.5165.2178.80000106.1T429 H433T429-V431 PolarHBondContact O-N 3.32Å; T429-V431 VanDerWaalsContact O-N 3.08Å; V431-H433 PolarHBondContact O-N 2.93Å
432E21.2Very low25.2Very low173 Ų173148.3 Ų148.381%0.80877%0.768SS**  trans-58.4107.4171.2-67.3-171.9158.600108.9N434E432-N434 PolarHBondContact O-N 3.32Å; E432-N434 VanDerWaalsContact O-N 3.08Å
433H23.1Very low25.2Very low175 Ų175151.8 Ų151.881%0.8178%0.78SS**  trans-70.7101.2165.8-90.7-87.1000107.5V431 P435V431-H433 PolarHBondContact O-N 2.93Å; H433-P435 WeakPolarHBondContact O-CD 3.43Å
434N21.1Very low25.2Very low146 Ų146147.7 Ų147.778%0.78177%0.773SS**  trans-67.9109.4167.8-132.6-29.4000107.4E432 K436E432-N434 PolarHBondContact O-N 3.32Å; E432-N434 VanDerWaalsContact O-N 3.08Å; N434-K436 PolarHBondContact O-N 3.01Å
435P25.9Very low25.2Very low113 Ų113146.7 Ų146.773%0.73477%0.772SS**  trans-68.7107.8178.428.4-30.2000107.6H433 N437H433-P435 WeakPolarHBondContact O-CD 3.43Å; P435-N437 PolarHBondContact O-N 3.4Å
436K23.8Very low25Very low193 Ų193150.7 Ų150.784%0.83978%0.775SS**  trans-66102.2166.9-85.3-176.5175.8179.90107.5N434 I438N434-K436 PolarHBondContact O-N 3.01Å; K436-I438 PolarHBondContact O-N 3.31Å
437N23.9Very low24.8Very low146 Ų146152 Ų15278%0.78177%0.774SS**  trans-48.3102.5158.6-119.5-11000107.4P435P435-N437 PolarHBondContact O-N 3.4Å
438I28.2Very low24.8Very low146 Ų146151.4 Ų151.475%0.74977%0.771SS**  trans-102.2104.1162.1-64.9177.5000103.9K436 H440K436-I438 PolarHBondContact O-N 3.31Å; I438-H440 PolarHBondContact O-N 3.28Å
439D27.9Very low25.1Very low131 Ų131148 Ų14870%0.70177%0.77SS**  trans-49.5128.6-178.6-71.8-47.7000110.7N441D439-N441 PolarHBondContact O-N 3.29Å
440H25.4Very low25.4Very low174 Ų174146.9 Ų146.981%0.80676%0.764SS**  trans-58106163.1-75.332.6000107.4I438I438-H440 PolarHBondContact O-N 3.28Å
441N27.4Very low25.6Very low156 Ų156148.2 Ų148.283%0.83477%0.766SS**  trans-100.1101.2165.1-125.9-4.1000107.5D439 N443D439-N441 PolarHBondContact O-N 3.29Å; N441-N443 PolarHBondContact O-N 2.74Å
442D27.7Very low26.1Very low134 Ų134149.4 Ų149.472%0.71777%0.774SS**  trans-52.9100.9173.7-64.8-45.3000110.8
443N26.8Very low26.4Very low149 Ų149148.3 Ų148.380%0.79777%0.774SS**  trans-119.167.3154.8-79.9-21000107.7N441 I445N441-N443 PolarHBondContact O-N 2.74Å; N443-I445 PolarHBondContact O-N 3.23Å
444A25.7Very low26.7Very low83 Ų83145.8 Ų145.869%0.68677%0.77SS**  trans-6597.916300000108.1Y446A444-Y446 PolarHBondContact O-N 3.14Å; A444-Y446 VanDerWaalsContact O-N 3.17Å
445I25.2Very low27.1Very low135 Ų135145.1 Ų145.169%0.69277%0.767SS**  trans-76.5100.8168.6-60.2176.9000106.4N443 F447N443-I445 PolarHBondContact O-N 3.23Å; I445-F447 HydrophobicContact CG2-CD2 3.94Å; I445-F447 HydrophobicContact CG2-CE2 3.54Å; I445-F447 HydrophobicContact CG2-CZ 4.21Å; I445-F447 PolarHBondContact O-N 3.48Å
446Y22.9Very low27.1Very low204 Ų204150.4 Ų150.480%0.877%0.773SS**  trans-60.5113.8167.9-95.6-103.3000109A444A444-Y446 PolarHBondContact O-N 3.14Å; A444-Y446 VanDerWaalsContact O-N 3.17Å
447F25.7Very low27.2Very low191 Ų191151.7 Ų151.784%0.83878%0.775SS**  trans-102.799.8152.8-77.8-80.1000106.8I445I445-F447 HydrophobicContact CG2-CD2 3.94Å; I445-F447 HydrophobicContact CG2-CE2 3.54Å; I445-F447 HydrophobicContact CG2-CZ 4.21Å; I445-F447 PolarHBondContact O-N 3.48Å
448D24.8Very low27.3Very low133 Ų133154 Ų15471%0.71178%0.777SS**  trans-81.9109.6163.9-138.7-6000105.3
449D29.7Very low27.1Very low159 Ų159152.3 Ų152.385%0.8578%0.778SS**  trans-169.2113.5143.3-93.3-27.6000108.9
450T29.5Very low26.9Very low110 Ų110151.8 Ų151.868%0.67577%0.774SS**  trans-55.5162171.441.60000112.9
451D28.7Very low26.7Very low147 Ų147150.2 Ų150.279%0.78677%0.771SS**  trans92.756.3161.6-52.5-27.6000118.4
452T33.7Very low26.6Very low140 Ų140152.2 Ų152.286%0.85977%0.768SS**SBendtrans-135.396.2145.341.40000111.7
453N27.3Very low26.3Very low150 Ų150151 Ų15180%0.80277%0.769SS**  trans27.697.7147.7-142-12.4000116.5D455N453-D455 PolarHBondContact O-N 3.22Å
454V29.9Very low26.1Very low122 Ų122149.2 Ų149.274%0.73977%0.769SS**  trans-60.2101.1172.6178.70000109.2Y456V454-Y456 PolarHBondContact O-N 2.85Å
455D29.1Very low26Very low132 Ų132149.3 Ų149.371%0.70676%0.764SS**  trans-57.9110.5168.5-81.4-39.3000109N453 Y457N453-D455 PolarHBondContact O-N 3.22Å; D455-Y457 VanDerWaalsContact O-CD2 3.31Å; D455-Y457 WeakPolarHBondContact O-CD2 3.49Å; D455-Y457 PolarHBondContact O-N 2.88Å
456Y25.4Very low25.9Very low223 Ų223151.5 Ų151.588%0.87577%0.772SS**  trans-61.3100.1174.5-98.8-102000109.4V454 K458V454-Y456 PolarHBondContact O-N 2.85Å; Y456-K458 PolarHBondContact O-N 3.28Å
457Y26.7Very low26Very low221 Ų221148.7 Ų148.787%0.86777%0.769SS**  trans-58.7100.5169-73.2-90.3000109.6D455 C459D455-Y457 VanDerWaalsContact O-CD2 3.31Å; D455-Y457 WeakPolarHBondContact O-CD2 3.49Å; D455-Y457 PolarHBondContact O-N 2.88Å; Y457-C459 PolarHBondContact O-N 3.11Å
458K26.4Very low26Very low193 Ų193146.7 Ų146.784%0.83977%0.767SS**  trans-74.691.4172.3-159174.7-172.6177.50107.8Y456 I460Y456-K458 PolarHBondContact O-N 3.28Å; K458-I460 PolarHBondContact O-N 3.06Å; K458-I460 VanDerWaalsContact O-N 3.07Å
459C22.4Very low25.9Very low111 Ų111145.7 Ų145.775%0.7577%0.77SS**  trans-55.6112.1169.3-99.40000109.1Y457Y457-C459 PolarHBondContact O-N 3.11Å
460I23.9Very low25.8Very low121 Ų121142.7 Ų142.762%0.62176%0.759SS**  trans-91.698167.7-60.5175.1000105.4K458 Y462K458-I460 PolarHBondContact O-N 3.06Å; K458-I460 VanDerWaalsContact O-N 3.07Å; I460-Y462 HydrophobicContact CB-CE2 4.38Å; I460-Y462 HydrophobicContact CG2-CD2 4.18Å; I460-Y462 HydrophobicContact CG2-CE2 3.87Å; I460-Y462 WeakPolarHBondContact O-CD2 3.42Å; I460-Y462 PolarHBondContact O-N 2.98Å; I460-Y462 VanDerWaalsContact O-N 3.08Å
461D22.4Very low25.6Very low141 Ų141146.9 Ų146.975%0.75477%0.771SS**  trans-67.9104171.8-74.1-30.8000108.8C463D461-C463 PolarHBondContact O-N 2.69Å; D461-C463 VanDerWaalsContact O-N 3.11Å
462Y24.1Very low25.4Very low197 Ų197150.1 Ų150.177%0.77377%0.774SS**  trans-73.499.1166.7-76.6-90000107.9I460 S464I460-Y462 HydrophobicContact CB-CE2 4.38Å; I460-Y462 HydrophobicContact CG2-CD2 4.18Å; I460-Y462 HydrophobicContact CG2-CE2 3.87Å; I460-Y462 WeakPolarHBondContact O-CD2 3.42Å; I460-Y462 PolarHBondContact O-N 2.98Å; I460-Y462 VanDerWaalsContact O-N 3.08Å; Y462-S464 VanDerWaalsContact C-N 3.31Å; Y462-S464 PolarHBondContact O-N 3.09Å
463C22Very low25.1Very low108 Ų108152 Ų15273%0.7377%0.773SS**  trans-62.697163.9-65.80000108.5D461 S465D461-C463 PolarHBondContact O-N 2.69Å; D461-C463 VanDerWaalsContact O-N 3.11Å; C463-S465 PolarHBondContact O-N 2.87Å; C463-S465 PolarHBondContact O-OG 3.19Å
464S23.4Very low25Very low113 Ų113151.4 Ų151.479%0.7977%0.765SS**  trans-59.880.5163.8-71.80000108.9Y462 Q466Y462-S464 VanDerWaalsContact C-N 3.31Å; Y462-S464 PolarHBondContact O-N 3.09Å; S464-Q466 VanDerWaalsContact C-N 3.3Å; S464-Q466 PolarHBondContact O-N 2.73Å
465S23Very low24.7Very low84 Ų84154.1 Ų154.159%0.58777%0.77SS**  trans-75.591.2174.7-48.30000105.9C463 I467C463-S465 PolarHBondContact O-N 2.87Å; C463-S465 PolarHBondContact O-OG 3.19Å; S465-I467 PolarHBondContact O-N 2.9Å
466Q23.2Very low24.6Very low182 Ų182154.4 Ų154.485%0.8577%0.765SS**  trans-62.276.3164.4-73.7-179.83.500108.1S464 N468S464-Q466 VanDerWaalsContact C-N 3.3Å; S464-Q466 PolarHBondContact O-N 2.73Å; Q466-N468 PolarHBondContact O-N 3.29Å
467I25.5Very low24.5Very low145 Ų145155.4 Ų155.474%0.74477%0.768SS**  trans-86.5102.2172.2-60.3172.5000105.4S465 S469S465-I467 PolarHBondContact O-N 2.9Å; I467-S469 PolarHBondContact O-N 3.48Å
468N25.3Very low24.4Very low149 Ų149150.2 Ų150.280%0.79776%0.762SS**  trans-44.5100.7168.5-67.6-44.8000110Q466Q466-N468 PolarHBondContact O-N 3.29Å
469S23.2Very low24.4Very low112 Ų112143.4 Ų143.478%0.78375%0.747SS**  trans-76.9124.4165.2-150.50000107.6I467I467-S469 PolarHBondContact O-N 3.48Å
470P26Very low25Very low95 Ų95144.4 Ų144.462%0.61776%0.755SS**  trans-68.8145.5-170.325-32.1000112.6Y472P470-Y472 PolarHBondContact O-N 3.1Å
471Q26.1Very low25.6Very low198 Ų198144.8 Ų144.893%0.92576%0.763SS**  trans-48.699.1173.9-72.1177.6-32.900111.6Q473Q471-Q473 PolarHBondContact O-N 3.4Å
472Y25.6Very low26Very low215 Ų215141.3 Ų141.384%0.84375%0.75SS**  trans-78.9114.4162.3-91-87.9000108.4P470 Q474P470-Y472 PolarHBondContact O-N 3.1Å; Y472-Q474 PolarHBondContact O-N 3.42Å
473Q26.5Very low26.5Very low179 Ų179137.8 Ų137.884%0.83675%0.751SS**  trans-59.3102171.7-79.5176.7-32.300109.5Q471 Q475Q471-Q473 PolarHBondContact O-N 3.4Å; Q473-Q475 PolarHBondContact O-N 2.85Å; Q473-Q475 VanDerWaalsContact O-N 3.15Å
474Q24.6Very low27.1Very low138 Ų138140.3 Ų140.365%0.64576%0.758SS**  trans-68.1107.5165.9-80.3177-18.100108.6Y472 F476Y472-Q474 PolarHBondContact O-N 3.42Å; Q474-F476 HydrophobicContact CB-CE2 4.15Å; Q474-F476 HydrophobicContact CB-CZ 4.28Å; Q474-F476 WeakPolarHBondContact O-CD2 3.01Å; Q474-F476 PolarHBondContact O-N 2.83Å
475Q23.9Very low27.4Very low179 Ų179138.8 Ų138.884%0.83674%0.743SS**  trans-78.8103.2169.4-75.8-174.9-18.100109Q473 R477Q473-Q475 PolarHBondContact O-N 2.85Å; Q473-Q475 VanDerWaalsContact O-N 3.15Å; Q475-R477 PolarHBondContact O-N 3.49Å
476F26.6Very low27.6Very low139 Ų139138.7 Ų138.761%0.6174%0.742SS**  trans-72.4108.6171.1-63.4-84.5000109.5Q474Q474-F476 HydrophobicContact CB-CE2 4.15Å; Q474-F476 HydrophobicContact CB-CZ 4.28Å; Q474-F476 WeakPolarHBondContact O-CD2 3.01Å; Q474-F476 PolarHBondContact O-N 2.83Å
477R23.7Very low27.7Very low244 Ų244139.5 Ų139.592%0.92174%0.738SS**  trans-91101.4165-100.8-174.4175.9-171.7-0.3108.9Q475 G479Q475-R477 PolarHBondContact O-N 3.49Å; R477-G479 PolarHBondContact O-N 2.89Å
478C25Very low27.9Very low111 Ų111137 Ų13775%0.7573%0.73SS**  trans-72108.3168.5-60.10000108.7
479G25.8Very low27.9Very low51 Ų51137.5 Ų137.553%0.52673%0.733SS.*  trans-67.2134.7165.600000109.6R477 T481R477-G479 PolarHBondContact O-N 2.89Å; G479-T481 PolarHBondContact O-N 3.27Å
480S35.2Very low28Very low131 Ų131137.4 Ų137.492%0.91672%0.722SS**THydrogen-bonded Turntrans-72.118.8-174.456.40000115.1
481T36.5Very low28Very low130 Ų130138.4 Ų138.480%0.79873%0.731SS**THydrogen-bonded Turntrans-101.7-13.1-175.546.30000115.1G479G479-T481 PolarHBondContact O-N 3.27Å
482S30.9Very low28.2Very low68 Ų68137.1 Ų137.148%0.47672%0.723SS.*  trans-166.1125.6166.8-380000109.6N484S482-N484 PolarHBondContact O-N 3.4Å
483P34.7Very low28.3Very low123 Ų123136 Ų13680%0.79973%0.725SS**THydrogen-bonded Turntrans-61.5134.7165.426.2-28.8000108.2
484N34.7Very low28.2Very low161 Ų161132.4 Ų132.486%0.86172%0.72SS**THydrogen-bonded Turntrans95.18.4175.2-51.3-23.9000119.3S482S482-N484 PolarHBondContact O-N 3.4Å
485V30Very low28.5Very low80 Ų80130.9 Ų130.949%0.48572%0.722SS.*  trans-114.394.1169.7-170.70000110.5Y487V485-Y487 HydrophobicContact CB-CE2 4.47Å; V485-Y487 HydrophobicContact CG1-CD2 4.29Å; V485-Y487 HydrophobicContact CG1-CE1 4.37Å; V485-Y487 HydrophobicContact CG1-CE2 3.7Å
486C27Very low28.8Very low83 Ų83128.8 Ų128.856%0.56172%0.717SS**  trans-85.9111.5173-67.10000109.8
487Y26Very low29Very low198 Ų198129.7 Ų129.778%0.77673%0.727SS**  trans-81127167.3-65-84000108.9V485V485-Y487 HydrophobicContact CB-CE2 4.47Å; V485-Y487 HydrophobicContact CG1-CD2 4.29Å; V485-Y487 HydrophobicContact CG1-CE1 4.37Å; V485-Y487 HydrophobicContact CG1-CE2 3.7Å
488T27.8Very low29.1Very low92 Ų92121.6 Ų121.656%0.56471%0.708SS**  trans-105.2107.6173.9-43.30000107.8I490T488-I490 HydrophobicContact CG2-CG1 3.94Å; T488-I490 PolarHBondContact O-N 2.94Å
489D25.6Very low29.2Very low161 Ų161121.5 Ų121.586%0.86171%0.706SS**  trans-7494.1171.8-74.1-29.7000108.6S491D489-S491 PolarHBondContact O-N 3.19Å
490I27Very low29.3Very low110 Ų110126.9 Ų126.956%0.56472%0.721SS**  trans-89.491.4174.2-47.8171000107.5T488 F492T488-I490 HydrophobicContact CG2-CG1 3.94Å; T488-I490 PolarHBondContact O-N 2.94Å; I490-F492 HydrophobicContact CB-CD2 4.45Å; I490-F492 HydrophobicContact CB-CE2 3.86Å; I490-F492 HydrophobicContact CB-CZ 4.14Å; I490-F492 HydrophobicContact CG2-CD1 4.25Å; I490-F492 HydrophobicContact CG2-CD2 3.96Å; I490-F492 HydrophobicContact CG2-CE1 3.77Å; I490-F492 HydrophobicContact CG2-CE2 3.45Å; I490-F492 VanDerWaalsContact CG2-CE2 3.45Å; I490-F492 HydrophobicContact CG2-CG 4.34Å; I490-F492 HydrophobicContact CG2-CZ 3.35Å; I490-F492 WeakPolarHBondContact O-CD2 3.39Å; I490-F492 PolarHBondContact O-N 2.96Å
491S24.7Very low28.9Very low115 Ų115127.2 Ų127.280%0.80471%0.712SS**  trans-75.5104168.654.90000109.1D489 Q493D489-S491 PolarHBondContact O-N 3.19Å; S491-Q493 PolarHBondContact O-N 3.29Å
492F31.2Very low28.4Very low172 Ų172126.1 Ų126.175%0.75471%0.707SS**  trans-80.2117172.1-64.9-84.7000109.4I490 S494I490-F492 HydrophobicContact CB-CD2 4.45Å; I490-F492 HydrophobicContact CB-CE2 3.86Å; I490-F492 HydrophobicContact CB-CZ 4.14Å; I490-F492 HydrophobicContact CG2-CD1 4.25Å; I490-F492 HydrophobicContact CG2-CD2 3.96Å; I490-F492 HydrophobicContact CG2-CE1 3.77Å; I490-F492 HydrophobicContact CG2-CE2 3.45Å; I490-F492 VanDerWaalsContact CG2-CE2 3.45Å; I490-F492 HydrophobicContact CG2-CG 4.34Å; I490-F492 HydrophobicContact CG2-CZ 3.35Å; I490-F492 WeakPolarHBondContact O-CD2 3.39Å; I490-F492 PolarHBondContact O-N 2.96Å; F492-S494 PolarHBondContact O-N 2.69Å
493Q26.2Very low28.2Very low191 Ų191130.2 Ų130.289%0.89372%0.722SS**  trans-74.7115.2161.7-164.5154.510.400107S491S491-Q493 PolarHBondContact O-N 3.29Å
494S26.3Very low27.9Very low104 Ų104132.8 Ų132.873%0.72772%0.723SS**  trans-52.6129.5-179.3-32.60000109.6F492 D496F492-S494 PolarHBondContact O-N 2.69Å; S494-D496 PolarHBondContact O-N 3.08Å
495P30.6Very low27.4Very low105 Ų105135.2 Ų135.268%0.68272%0.72SS**  trans-60.7132.217823.8-32.5000109.9L497P495-L497 PolarHBondContact O-N 2.99Å; P495-L497 VanDerWaalsContact O-N 3.08Å
496D29.4Very low27.2Very low135 Ų135141.1 Ų141.172%0.72274%0.739SS**  trans-62108.3170.8-174.9-7.8000108.3S494 S498S494-D496 PolarHBondContact O-N 3.08Å; D496-S498 PolarHBondContact O-N 3.05Å; D496-S498 WeakPolarHBondContact OD1-CB 3.33Å; D496-S498 PolarHBondContact OD1-N 2.91Å; D496-S498 VanDerWaalsContact OD1-N 3.17Å; D496-S498 PolarHBondContact OD1-OG 3.25Å
497L30.4Very low27.2Very low159 Ų159143.9 Ų143.983%0.83275%0.748SS**  trans-82.425-177.7-68.4170.5000112.3P495 P499P495-L497 PolarHBondContact O-N 2.99Å; P495-L497 VanDerWaalsContact O-N 3.08Å; L497-P499 WeakPolarHBondContact O-CD 3.32Å
498S26.7Very low27.1Very low73 Ų73139.5 Ų139.551%0.5175%0.747SS.*  trans-60.5122.7172.8-670000109.9D496 I500D496-S498 PolarHBondContact O-N 3.05Å; D496-S498 WeakPolarHBondContact OD1-CB 3.33Å; D496-S498 PolarHBondContact OD1-N 2.91Å; D496-S498 VanDerWaalsContact OD1-N 3.17Å; D496-S498 PolarHBondContact OD1-OG 3.25Å; S498-I500 PolarHBondContact O-N 3.4Å
499P26.3Very low26.8Very low110 Ų110141.1 Ų141.171%0.71476%0.76SS**  trans-61.1123.2-178.222.1-31000109.8L497 L501L497-P499 WeakPolarHBondContact O-CD 3.32Å; P499-L501 PolarHBondContact O-N 3.08Å
500I28.5Very low26.9Very low164 Ų164138.9 Ų138.984%0.84175%0.752SS**  trans-66.690.4171.7-58.3171.5000106.6S498S498-I500 PolarHBondContact O-N 3.4Å
501L26Very low26.9Very low138 Ų138140.4 Ų140.472%0.72376%0.762SS**  trans-61.1132.8171.4-72171.9000107.9P499 I503P499-L501 PolarHBondContact O-N 3.08Å; L501-I503 PolarHBondContact O-N 3.4Å
502P27.3Very low26.8Very low107 Ų107146 Ų14670%0.69577%0.767SS**  trans-52.6119.4175.2-22.730.8000109H504P502-H504 VanDerWaalsContact C-N 3.32Å; P502-H504 PolarHBondContact O-N 2.89Å
503I26.7Very low26.5Very low153 Ų153142.4 Ų142.479%0.78576%0.761SS**  trans-62.5102.1171.9-60.7170.8000105.4L501 R505L501-I503 PolarHBondContact O-N 3.4Å; I503-R505 PolarHBondContact O-N 3.2Å
504H26.8Very low26.6Very low178 Ų178139 Ų13982%0.82476%0.755SS**  trans-60.286.5168.3-94.4-87.3000107.5P502 K506P502-H504 VanDerWaalsContact C-N 3.32Å; P502-H504 PolarHBondContact O-N 2.89Å; H504-K506 PolarHBondContact O-N 2.83Å
505R24.5Very low26.4Very low212 Ų212143.3 Ų143.380%0.876%0.761SS**  trans-63.4110.3158.4-85.6-171.5174168.1-0.4105.6I503 N507I503-R505 PolarHBondContact O-N 3.2Å; R505-N507 PolarHBondContact O-N 3.24Å
506K25.5Very low26.1Very low203 Ų203144.4 Ų144.488%0.88377%0.766SS**  trans-57.278.3166.6-72.4175.9173.4177.10108.6H504H504-K506 PolarHBondContact O-N 2.83Å
507N27.1Very low26.1Very low142 Ų142143.3 Ų143.376%0.75976%0.764SS**  trans-90107.9162.7-7914.7000106.3R505 C509R505-N507 PolarHBondContact O-N 3.24Å; N507-C509 PolarHBondContact O-N 3.1Å
508S24.2Very low25.7Very low106 Ų106144.4 Ų144.474%0.74177%0.765SS**  trans-39.4131172.2500000112.2T510S508-T510 PolarHBondContact O-N 3.02Å
509C22.9Very low25.7Very low125 Ų125146.8 Ų146.885%0.84578%0.776SS**  trans-48.9128.8162.2-540000110.7N507N507-C509 PolarHBondContact O-N 3.1Å
510T26.7Very low25.7Very low114 Ų114150.2 Ų150.270%0.69978%0.78SS**  trans-164.4122.514536.70000110.2S508S508-T510 PolarHBondContact O-N 3.02Å
511N26.2Very low25.5Very low142 Ų142150 Ų15076%0.75978%0.78SS**  trans70.587.4147.5-54.8-27.4000119.1
512Y22.4Very low25.4Very low233 Ų233150.9 Ų150.991%0.91478%0.784SS**  trans-129.8129.3137.5-89.7-85.8000109.5
513P26.3Very low25.2Very low97 Ų97150.2 Ų150.263%0.6378%0.782SS**  trans-78.5153.3-173.930.9-32.9000112.5F515P513-F515 PolarHBondContact O-N 2.84Å
514P26.9Very low25.1Very low118 Ų118150.5 Ų150.577%0.76678%0.784SS**  trans-74.5121.6-175.129.3-32.3000111.3T516P514-T516 PolarHBondContact O-N 2.99Å
515F24Very low25Very low195 Ų195148.4 Ų148.486%0.85578%0.779SS**  trans-77.1101.6164.9-85.2-87.1000109.2P513 V517P513-F515 PolarHBondContact O-N 2.84Å; F515-V517 PolarHBondContact O-N 3.17Å
516T24.2Very low24.9Very low129 Ų129146.8 Ų146.879%0.79178%0.78SS**  trans-75.797.3161.6410000108.4P514P514-T516 PolarHBondContact O-N 2.99Å
517V28.2Very low24.8Very low112 Ų112142.9 Ų142.968%0.67977%0.774SS**  trans-94107.2165.6-1790000107.1F515 V519F515-V517 PolarHBondContact O-N 3.17Å; V517-V519 HydrophobicContact CG1-CG2 4.42Å; V517-V519 PolarHBondContact O-N 3.04Å
518E23Very low24.6Very low181 Ų181142.6 Ų142.685%0.84677%0.772SS**  trans-59.898.1168.3-71.9-177.8151.900109.2K520E518-K520 PolarHBondContact O-N 2.92Å
519V26.4Very low24.7Very low124 Ų124144.1 Ų144.175%0.75277%0.771SS**  trans-84.799.2167.6-178.20000106.9V517 D521V517-V519 HydrophobicContact CG1-CG2 4.42Å; V517-V519 PolarHBondContact O-N 3.04Å; V519-D521 PolarHBondContact O-N 2.99Å
520K25.4Very low24.6Very low182 Ų182145.7 Ų145.779%0.79177%0.765SS**  trans-53.6124.3170-87.5173.3173.5171.20110E518 I522E518-K520 PolarHBondContact O-N 2.92Å; K520-I522 PolarHBondContact O-N 3.31Å
521D24.7Very low24.6Very low158 Ų158147.4 Ų147.485%0.84577%0.769SS**  trans-53103.2171.5-61.6-54.4000110.7V519 S523V519-D521 PolarHBondContact O-N 2.99Å; D521-S523 VanDerWaalsContact C-N 3.3Å; D521-S523 PolarHBondContact O-N 2.85Å; D521-S523 VanDerWaalsContact O-N 3.08Å
522I24.6Very low24.6Very low158 Ų158146.8 Ų146.881%0.8177%0.765SS**  trans-80.489.4165.5-57.6175.6000106.2K520 L524K520-I522 PolarHBondContact O-N 3.31Å; I522-L524 PolarHBondContact O-N 2.89Å
523S22.7Very low24.5Very low92 Ų92139.6 Ų139.664%0.64376%0.762SS**  trans-65.796.3171.664.10000109.2D521 N525D521-S523 VanDerWaalsContact C-N 3.3Å; D521-S523 PolarHBondContact O-N 2.85Å; D521-S523 VanDerWaalsContact O-N 3.08Å; S523-N525 PolarHBondContact O-N 3.16Å
524L23.5Very low24.6Very low160 Ų160140.3 Ų140.384%0.83877%0.77SS**  trans-77.696.5170.6-127.4145.6000107.5I522 Q526I522-L524 PolarHBondContact O-N 2.89Å; L524-Q526 PolarHBondContact O-N 3.02Å; L524-Q526 VanDerWaalsContact O-N 3.15Å
525N24.8Very low24.5Very low134 Ų134140.9 Ų140.972%0.71778%0.776SS**  trans-47.9116.8177.4-81.1-38.7000110.3S523 T527S523-N525 PolarHBondContact O-N 3.16Å; N525-T527 PolarHBondContact O-N 3.39Å
526Q22.4Very low24.6Very low177 Ų177136.5 Ų136.583%0.82777%0.77SS**  trans-56.899.9163.3-80.3175-4.900108.4L524 N528L524-Q526 PolarHBondContact O-N 3.02Å; L524-Q526 VanDerWaalsContact O-N 3.15Å; Q526-N528 PolarHBondContact O-N 2.88Å
527T24.2Very low24.8Very low122 Ų122134.5 Ų134.575%0.74876%0.761SS**  trans-70.191.6160.635.60000107.4N525 I529N525-T527 PolarHBondContact O-N 3.39Å; T527-I529 PolarHBondContact O-N 3.2Å
528N23.5Very low24.8Very low135 Ų135136.3 Ų136.372%0.72277%0.767SS**  trans-59.885.6163.9-105.1-35.9000108.4Q526 H530Q526-N528 PolarHBondContact O-N 2.88Å; N528-H530 VanDerWaalsContact C-N 3.27Å; N528-H530 PolarHBondContact O-N 3.15Å
529I24.8Very low25Very low138 Ų138135.6 Ų135.671%0.70876%0.763SS**  trans-77.692.1167.4-57.7-179.1000106.3T527 I531T527-I529 PolarHBondContact O-N 3.2Å; I529-I531 VanDerWaalsContact C-N 3.34Å; I529-I531 HydrophobicContact CG2-CD1 4.46Å; I529-I531 HydrophobicContact CG2-CG1 3.93Å; I529-I531 PolarHBondContact O-N 3.34Å
530H21.6Very low25.1Very low158 Ų158136.3 Ų136.373%0.73176%0.763SS**  trans-63.588.4171.2-130.8-85000108.6N528 N532N528-H530 VanDerWaalsContact C-N 3.27Å; N528-H530 PolarHBondContact O-N 3.15Å; H530-N532 PolarHBondContact O-N 2.89Å
531I26.4Very low25.2Very low151 Ų151135.5 Ų135.577%0.77477%0.766SS**  trans-84.3101167.9-57.2-178.2000106.9I529I529-I531 VanDerWaalsContact C-N 3.34Å; I529-I531 HydrophobicContact CG2-CD1 4.46Å; I529-I531 HydrophobicContact CG2-CG1 3.93Å; I529-I531 PolarHBondContact O-N 3.34Å
532N25.9Very low25.2Very low128 Ų128134.4 Ų134.468%0.68476%0.757SS**  trans-53.4139.5173.5-78.5-24.4000111.3H530H530-N532 PolarHBondContact O-N 2.89Å
533G21.6Very low25.4Very low82 Ų82132.1 Ų132.185%0.84575%0.753SS**  trans-59.3136.2177.800000113.5
534S27.2Very low25.6Very low113 Ų113132.4 Ų132.479%0.7976%0.761SS**  trans-144.9115.215338.60000107.6S536S534-S536 PolarHBondContact O-N 3.04Å
535S24.5Very low25.7Very low129 Ų129132.9 Ų132.990%0.90276%0.756SS**  trans-55.7122.5178.1-460000112.1
536S27Very low25.7Very low103 Ų103131.5 Ų131.572%0.7276%0.756SS**  trans-165.1119149.763.30000111.6S534S534-S536 PolarHBondContact O-N 3.04Å
537S27.9Very low26Very low87 Ų87131.2 Ų131.261%0.60876%0.759SS**  trans52.2114.7153.758.70000119.4H539S537-H539 PolarHBondContact O-N 2.9Å
538N27.7Very low26.1Very low151 Ų151133.7 Ų133.781%0.80776%0.759SS**  trans-35.5101.7154.5-61-27.6000111.8D540N538-D540 VanDerWaalsContact C-N 3.35Å; N538-D540 PolarHBondContact O-N 3.12Å
539H28.3Very low26.5Very low165 Ų165132.6 Ų132.676%0.76476%0.76SS**  trans-88.387.2157.3-77.8-53.9000106.9S537 I541S537-H539 PolarHBondContact O-N 2.9Å; H539-I541 PolarHBondContact O-N 2.91Å; H539-I541 VanDerWaalsContact O-N 3.09Å
540D28.9Very low26.9Very low139 Ų139131.6 Ų131.674%0.74376%0.762SS**  trans-53.8114.3160.8-74.3-41.2000107.6N538 M542N538-D540 VanDerWaalsContact C-N 3.35Å; N538-D540 PolarHBondContact O-N 3.12Å; D540-M542 VanDerWaalsContact C-N 3.25Å; D540-M542 PolarHBondContact O-N 3.48Å
541I27.6Very low27.3Very low166 Ų166131.1 Ų131.185%0.85177%0.765SS**  trans-6690.9173-62.1167.5000105.8H539H539-I541 PolarHBondContact O-N 2.91Å; H539-I541 VanDerWaalsContact O-N 3.09Å
542M24.9Very low27.7Very low134 Ų134132.2 Ų132.266%0.6677%0.771SS**  trans-67.3127.5174.5-76.8-169.677.400108.8D540 A544D540-M542 VanDerWaalsContact C-N 3.25Å; D540-M542 PolarHBondContact O-N 3.48Å; M542-A544 PolarHBondContact O-N 3.31Å
543P27.8Very low28Very low111 Ų111133 Ų13372%0.72178%0.776SS**  trans-59.3138.5176.922.9-31.4000110K545P543-K545 PolarHBondContact O-N 3.1Å
544A26.1Very low28.4Very low98 Ų98132.9 Ų132.981%0.8177%0.774SS**  trans-49.3106.8-17900000110.4M542 C546M542-A544 PolarHBondContact O-N 3.31Å; A544-C546 PolarHBondContact O-N 3.25Å; A544-C546 VanDerWaalsContact O-N 3.11Å
545K27.6Very low28.5Very low170 Ų170132.3 Ų132.374%0.73977%0.77SS**  trans-65.6112.3170.4-79.1177.8175.5174.60107.2P543 L547P543-K545 PolarHBondContact O-N 3.1Å; K545-L547 PolarHBondContact O-N 3.5Å
546C24.9Very low28.9Very low105 Ų105134 Ų13471%0.70978%0.782SS**  trans-49.7113166-64.60000108.3A544 F548A544-C546 PolarHBondContact O-N 3.25Å; A544-C546 VanDerWaalsContact O-N 3.11Å; C546-F548 VanDerWaalsContact C-N 3.26Å; C546-F548 HydrophobicContact CB-CE2 4.33Å; C546-F548 PolarHBondContact O-N 3.03Å
547L27.9Very low28.9Very low170 Ų170135.6 Ų135.689%0.8979%0.785SS**  trans-67.487.1174.3-76.6157.7000107.6K545K545-L547 PolarHBondContact O-N 3.5Å
548F26.5Very low29Very low175 Ų175138.1 Ų138.177%0.76879%0.794SS**PPolyproline II helixtrans-65.2129.6159.4-73.8-81.1000107.4C546C546-F548 VanDerWaalsContact C-N 3.26Å; C546-F548 HydrophobicContact CB-CE2 4.33Å; C546-F548 PolarHBondContact O-N 3.03Å
549P31.2Very low29.1Very low112 Ų112137.4 Ų137.473%0.72779%0.794SS**PPolyproline II helixtrans-57.2127.3175.221.8-30000108.3N551P549-N551 PolarHBondContact O-N 3.34Å
550P34Very low29.1Very low117 Ų117135.8 Ų135.876%0.7680%0.795SS**PPolyproline II helixtrans-58.4128.3-179.821.2-30.1000109.1L552P550-L552 PolarHBondContact O-N 3.08Å; P550-L552 VanDerWaalsContact O-N 3.13Å
551N30.6Very low29.1Very low148 Ų148135.6 Ų135.679%0.79180%0.799SS**  trans-41.8120.4176.4-89.2-37.8000110.3P549 N553P549-N551 PolarHBondContact O-N 3.34Å; N551-N553 PolarHBondContact O-N 3.1Å
552L33.9Very low29.2Very low173 Ų173133.5 Ų133.591%0.90680%0.795SS**  trans-68.259.3167.5-69.1165.6000109.6P550 G554P550-L552 PolarHBondContact O-N 3.08Å; P550-L552 VanDerWaalsContact O-N 3.13Å; L552-G554 PolarHBondContact O-N 3.03Å
553N31.7Very low29.5Very low146 Ų146133.5 Ų133.578%0.78181%0.805SS**  trans-92.667.5156.8-76.9-12.7000106.5N551 S555N551-N553 PolarHBondContact O-N 3.1Å; N553-S555 VanDerWaalsContact C-N 3.29Å; N553-S555 PolarHBondContact O-N 3.02Å
554G29.3Very low29.7Very low78 Ų78135.2 Ų135.280%0.80481%0.811SS**  trans-64.796.7162.300000107.8L552L552-G554 PolarHBondContact O-N 3.03Å
555S29.6Very low30Very low102 Ų102138.3 Ų138.371%0.71381%0.811SS**  trans-50.3142.6169.11750000112.6N553N553-S555 VanDerWaalsContact C-N 3.29Å; N553-S555 PolarHBondContact O-N 3.02Å
556S32.6Very low30.2Very low164 Ų164135.5 Ų135.5100%1.14782%0.818SS**  trans59.50143.166.50000119.8

Retrieved 556 of 556 residues in 440.6 ms (Link to these results)

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