A0A3Q0KLY6_SCHMA Loading...

FHA domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KLY6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,470 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
1M50.6Low79.1Confident205 Ų205101.2 Ų101.2100%1.0148%0.482SS*.  0120.60-82.4-179.2-164.900107.2
2F65.9Low79.8Confident141 Ų14198.3 Ų98.362%0.61846%0.463SS*.  trans-91.2115179.1-59.8-76.3000109.3P16 P95F2-P16 HydrophobicContact CE1-CG 4.04Å; F2-P95 WeakPolarHBondContact O-CD 3.47Å; F2-P95 WeakPolarHBondContact O-CG 3.36Å
3L81.6Confident80.4Confident35 Ų3597.8 Ų97.818%0.18347%0.473CS..  trans-66.1151173.6-75.5139.1000110.1I14 Y44 V77 I92L3-I14 HydrophobicContact CB-CD1 4.03Å; L3-I14 WeakPolarHBondContact O-CB 3.43Å; L3-I14 PolarHBondContact O-N 3.1Å; L3-Y44 HydrophobicContact CD1-CE2 4.47Å; L3-V77 HydrophobicContact CD2-CG2 3.63Å; L3-I92 HydrophobicContact CD2-CG2 3.95Å
4T87.2Confident80.8Confident30 Ų3091.5 Ų91.518%0.18444%0.443CS..EExtended strand (participates in β ladder)trans-126.1136.417851.80000111Y12 T93T4-Y12 CarbonylContact C-O 3.6Å; T4-Y12 VanDerWaalsContact CA-O 3.29Å; T4-Y12 WeakPolarHBondContact CA-O 3.47Å; T4-T93 PolarHBondContact N-O 3.02Å; T4-T93 PolarHBondContact O-N 3.34Å; T4-T93 PolarHBondContact O-OG1 3.03Å; T4-T93 PolarHBondContact OG1-O 3.22Å; T4-T93 PolarHBondContact OG1-OG1 3.43Å
5M88.8Confident81Confident0 Ų088.4 Ų88.40%043%0.434CS..EExtended strand (participates in β ladder)trans-89.7115.6168.5-174.5176.377.700108.6Y12 I14 I21 I28 L81 F83 Y90 E91 I92M5-Y12 HydrophobicContact CE-CD2 4.46Å; M5-Y12 PolarHBondContact N-O 2.88Å; M5-Y12 WeakPolarHBondContact O-CD2 3.49Å; M5-Y12 PolarHBondContact O-N 3.35Å; M5-I14 HydrophobicContact CB-CD1 4.46Å; M5-I14 HydrophobicContact CB-CG1 4.45Å; M5-I21 HydrophobicContact CE-CD1 4.44Å; M5-I21 HydrophobicContact SD-CD1 4.38Å; M5-I28 HydrophobicContact CE-CD1 3.6Å; M5-I28 HydrophobicContact CE-CG2 3.79Å; M5-L81 HydrophobicContact SD-CD1 4.01Å; M5-F83 HydrophobicContact CE-CE2 4.36Å; M5-F83 HydrophobicContact SD-CE2 4.14Å; M5-F83 HydrophobicContact SD-CZ 4.36Å; M5-Y90 HydrophobicContact CE-CD1 3.48Å; M5-Y90 VanDerWaalsContact CE-CD1 3.48Å; M5-Y90 HydrophobicContact CE-CE1 3.96Å; M5-Y90 HydrophobicContact CE-CG 4Å; M5-Y90 HydrophobicContact CG-CD1 4.09Å; M5-Y90 HydrophobicContact CG-CG 4.26Å; M5-Y90 HydrophobicContact SD-CD1 4.07Å; M5-Y90 HydrophobicContact SD-CG 4.06Å; M5-E91 CarbonylContact C-O 3.6Å; M5-E91 WeakPolarHBondContact CA-O 3.36Å; M5-I92 HydrophobicContact CB-CD1 4.28Å; M5-I92 HydrophobicContact CG-CD1 4.35Å
6K88.1Confident80.7Confident99 Ų9988.2 Ų88.243%0.4344%0.441SS..EExtended strand (participates in β ladder)trans-105.5133.2-174-170.2-179.4178.9-177.30111.1W10 Y90 E91 T93K6-W10 WeakPolarHBondContact CA-O 3.41Å; K6-W10 WeakPolarHBondContact CG-O 3.49Å; K6-Y90 CarbonylContact O-C 3.5Å; K6-Y90 WeakPolarHBondContact O-CA 3.47Å; K6-E91 PolarHBondContact N-O 2.9Å; K6-E91 PolarHBondContact O-N 3.49Å; K6-T93 HydrophobicContact CB-CG2 4.34Å
7A85.7Confident80.9Confident6 Ų692.3 Ų92.35%0.0545%0.45CS..EExtended strand (participates in β ladder)trans-140.2132.4169.300000110.2K9 W10 T88 Y90A7-K9 PolarHBondContact O-N 3.46Å; A7-K9 VanDerWaalsContact O-N 3.07Å; A7-W10 PolarHBondContact N-O 3.44Å; A7-W10 PolarHBondContact O-N 3.49Å; A7-W10 VanDerWaalsContact O-O 3.12Å; A7-T88 HydrophobicContact CB-CG2 3.83Å; A7-Y90 HydrophobicContact CB-CD1 3.32Å; A7-Y90 HydrophobicContact CB-CE1 3.54Å; A7-Y90 HydrophobicContact CB-CG 3.99Å
8M79.4Confident81.5Confident157 Ų15791.9 Ų91.977%0.77345%0.45SS*.THydrogen-bonded Turntrans50.2-114.4-175.8-59.2-174.2172.400111.8
9K77.2Confident82Confident203 Ų20387.2 Ų87.288%0.88343%0.426SS*.THydrogen-bonded Turntrans-980.2178.8-64.2-172.8179-177.70113.8A7A7-K9 PolarHBondContact O-N 3.46Å; A7-K9 VanDerWaalsContact O-N 3.07Å
10W78.4Confident82.7Confident177 Ų17784.8 Ų84.867%0.6742%0.417SS*.EExtended strand (participates in β ladder)trans-108.4141.4-174.2-63.782.7000111.1K6 A7 Y12K6-W10 WeakPolarHBondContact CA-O 3.41Å; K6-W10 WeakPolarHBondContact CG-O 3.49Å; A7-W10 PolarHBondContact N-O 3.44Å; A7-W10 PolarHBondContact O-N 3.49Å; A7-W10 VanDerWaalsContact O-O 3.12Å; W10-Y12 HydrophobicContact CB-CE2 3.86Å
11A86.8Confident83.2Confident60 Ų6080.8 Ų80.850%0.49640%0.397SS..EExtended strand (participates in β ladder)trans-124118.3173.400000108.7
12Y87.8Confident85.3Confident67 Ų6771 Ų7126%0.26335%0.349SS..EExtended strand (participates in β ladder)trans-98.3118.1-178.4-58.3-85.8000109T4 M5 W10 I28 Y90T4-Y12 CarbonylContact C-O 3.6Å; T4-Y12 VanDerWaalsContact CA-O 3.29Å; T4-Y12 WeakPolarHBondContact CA-O 3.47Å; M5-Y12 HydrophobicContact CE-CD2 4.46Å; M5-Y12 PolarHBondContact N-O 2.88Å; M5-Y12 WeakPolarHBondContact O-CD2 3.49Å; M5-Y12 PolarHBondContact O-N 3.35Å; W10-Y12 HydrophobicContact CB-CE2 3.86Å; Y12-I28 HydrophobicContact CD1-CG2 4.15Å; Y12-I28 HydrophobicContact CG-CG2 4.24Å; Y12-Y90 HydrophobicContact CE2-CE1 4.12Å
13P87.7Confident86.4Confident91 Ų9167.9 Ų67.959%0.59134%0.335SS*.EExtended strand (participates in β ladder)trans-67.2135.2177.127.6-32.3000110.7
14I86.3Confident86.6Confident10 Ų1069.6 Ų69.65%0.05135%0.348CS..PPolyproline II helixtrans-87126.4175.4-57.8178.9000108L3 M5 T19 I42 L51 I92L3-I14 HydrophobicContact CB-CD1 4.03Å; L3-I14 WeakPolarHBondContact O-CB 3.43Å; L3-I14 PolarHBondContact O-N 3.1Å; M5-I14 HydrophobicContact CB-CD1 4.46Å; M5-I14 HydrophobicContact CB-CG1 4.45Å; I14-T19 VanDerWaalsContact CG2-OG1 3.3Å; I14-T19 WeakPolarHBondContact CG2-OG1 3.49Å; I14-I42 HydrophobicContact CG2-CG2 4.18Å; I14-L51 HydrophobicContact CD1-CD2 4.09Å; I14-L51 HydrophobicContact CG2-CD1 4.22Å; I14-I92 HydrophobicContact CD1-CD1 3.76Å
15C83.1Confident86.5Confident45 Ų4571.6 Ų71.630%0.30437%0.374SS..PPolyproline II helixtrans-63.1153.7-178.8-71.80000111.8R17 I18 T19C15-R17 PolarHBondContact O-N 2.94Å; C15-R17 VanDerWaalsContact O-N 3.13Å; C15-I18 WeakPolarHBondContact CB-O 3.42Å; C15-T19 WeakPolarHBondContact CB-OG1 3.22Å; C15-T19 PolarHBondContact N-OG1 3.46Å
16P76.5Confident86.6Confident85 Ų8572.2 Ų72.255%0.55238%0.378SS*.SBendtrans-70.8-11.6-169-1630000115.6F2 Y44F2-P16 HydrophobicContact CE1-CG 4.04Å; P16-Y44 WeakPolarHBondContact O-CD1 3.39Å
17R84.2Confident86.7Confident158 Ų15872 Ų7260%0.59638%0.382SS*.SBendtrans-128.8-63.5179.4-82.3-173.1169.7175.3-0.2111.3C15 E43 Y44C15-R17 PolarHBondContact O-N 2.94Å; C15-R17 VanDerWaalsContact O-N 3.13Å; R17-E43 CarbonylContact O-C 3.58Å; R17-E43 WeakPolarHBondContact O-CA 3.38Å; R17-Y44 PolarHBondContact O-N 2.96Å
18I91.3Very high86.9Confident86 Ų8672 Ų7244%0.44138%0.381SS..EExtended strand (participates in β ladder)trans-134.5135.9-176.5-67173.6000108.2C15 T20 V41 I42 E43C15-I18 WeakPolarHBondContact CB-O 3.42Å; I18-T20 HydrophobicContact CG2-CG2 4.34Å; I18-V41 HydrophobicContact CG2-CG1 3.65Å; I18-I42 CarbonylContact C-O 3.5Å; I18-E43 HydrophobicContact CG1-CG 4.04Å
19T92.1Very high87.5Confident1 Ų169.1 Ų69.11%0.00637%0.368CS..EExtended strand (participates in β ladder)trans-125.7118.6173.7-510000108.8I14 C15 D27 I28 V41 I42I14-T19 VanDerWaalsContact CG2-OG1 3.3Å; I14-T19 WeakPolarHBondContact CG2-OG1 3.49Å; C15-T19 WeakPolarHBondContact CB-OG1 3.22Å; C15-T19 PolarHBondContact N-OG1 3.46Å; T19-D27 WeakPolarHBondContact CA-OD2 3.49Å; T19-D27 HydrophobicContact CG2-CB 4.02Å; T19-I28 HydrophobicContact CG2-CD1 3.73Å; T19-I28 HydrophobicContact CG2-CG1 3.91Å; T19-V41 WeakPolarHBondContact O-CA 3.33Å; T19-I42 PolarHBondContact N-O 3.03Å; T19-I42 PolarHBondContact O-N 3.08Å
20T94.7Very high88.1Confident39 Ų3959.8 Ų59.824%0.23933%0.327CS..EExtended strand (participates in β ladder)trans-93.2141.4179.257.60000111.2I18 C26 D27 I28 V41I18-T20 HydrophobicContact CG2-CG2 4.34Å; T20-C26 WeakPolarHBondContact OG1-CA 3.46Å; T20-D27 PolarHBondContact N-OD2 3.22Å; T20-D27 PolarHBondContact O-N 2.97Å; T20-D27 PolarHBondContact OG1-N 2.96Å; T20-D27 PolarHBondContact OG1-OD2 3.05Å; T20-I28 PolarHBondContact O-N 2.97Å; T20-V41 HydrophobicContact CG2-CG2 4.21Å
21I94.1Very high88.4Confident1 Ų158 Ų581%0.00533%0.331CS..EExtended strand (participates in β ladder)trans-128129.6-177.4-52.4-178.8000109.4M5 I28 I30 H39 A40 I42 F83M5-I21 HydrophobicContact CE-CD1 4.44Å; M5-I21 HydrophobicContact SD-CD1 4.38Å; I21-I28 WeakPolarHBondContact CA-O 3.38Å; I21-I28 HydrophobicContact CG1-CB 4.27Å; I21-I28 HydrophobicContact CG1-CD1 4.48Å; I21-I30 HydrophobicContact CG2-CD1 3.66Å; I21-I30 HydrophobicContact CG2-CG1 4.29Å; I21-H39 WeakPolarHBondContact O-CA 3.38Å; I21-H39 WeakPolarHBondContact O-CB 3.33Å; I21-H39 PolarHBondContact O-N 3.34Å; I21-A40 PolarHBondContact N-O 3.06Å; I21-A40 PolarHBondContact O-N 3.23Å; I21-I42 HydrophobicContact CD1-CD1 3.74Å; I21-I42 HydrophobicContact CD1-CG1 4.04Å; I21-F83 HydrophobicContact CD1-CE1 3.83Å; I21-F83 HydrophobicContact CD1-CE2 4.1Å; I21-F83 HydrophobicContact CD1-CZ 3.37Å; I21-F83 HydrophobicContact CG2-CD1 4.31Å; I21-F83 HydrophobicContact CG2-CD2 4.29Å; I21-F83 HydrophobicContact CG2-CE1 4.19Å; I21-F83 HydrophobicContact CG2-CE2 4.19Å; I21-F83 HydrophobicContact CG2-CG 4.34Å; I21-F83 HydrophobicContact CG2-CZ 4.14Å
22G94.1Very high88.5Confident0 Ų056.8 Ų56.80%032%0.316CS..EExtended strand (participates in β ladder)trans179.4-172.9-178.700000114.1I28 I29 I30 D36 Q37G22-I28 PolarHBondContact N-O 3.45Å; G22-I29 CarbonylContact O-C 3.36Å; G22-I29 WeakPolarHBondContact O-CA 3.42Å; G22-I30 PolarHBondContact O-N 3.34Å; G22-D36 CarbonylContact C-O 3.6Å; G22-D36 WeakPolarHBondContact CA-O 3.27Å; G22-Q37 WeakPolarHBondContact CA-O 3.37Å
23K90.3Very high88.5Confident75 Ų7558.5 Ų58.533%0.32634%0.335SS..SBendtrans-83-31.8-177.1-170.8-179.5177-175.80113.7I29 D36 Q37K23-I29 WeakPolarHBondContact O-CG2 3.43Å; K23-D36 PolarHBondContact N-O 3.25Å; K23-Q37 PolarHBondContact N-O 3.06Å
24T84Confident88.6Confident72 Ų7256 Ų5644%0.44232%0.318SS..SBendtrans-150131.7-176.654.40000110.8Q37T24-Q37 WeakPolarHBondContact OG1-CG 3.42Å
25G85.8Confident88.9Confident71 Ų7155.6 Ų55.673%0.73232%0.316SS*.SBendtrans74.833.1175.200000114.7
26C91.3Very high89.3Confident14 Ų1454.5 Ų54.510%0.09531%0.308CS..SBendtrans-123.6161.2177-62.60000110.8T20 I28 I29 Q37T20-C26 WeakPolarHBondContact OG1-CA 3.46Å; C26-I28 VanDerWaalsContact C-N 3.28Å; C26-I28 PolarHBondContact O-N 3.49Å; C26-I29 VanDerWaalsContact O-CG1 3.3Å; C26-I29 WeakPolarHBondContact O-CG1 3.43Å; C26-Q37 PolarHBondContact SG-O 3.46Å
27D90.2Very high90Very high94 Ų9456.9 Ų56.950%0.50331%0.311SS..SBendtrans-61.3-39.2178.1-56.6-58.5000111.5T19 T20T19-D27 WeakPolarHBondContact CA-OD2 3.49Å; T19-D27 HydrophobicContact CG2-CB 4.02Å; T20-D27 PolarHBondContact N-OD2 3.22Å; T20-D27 PolarHBondContact O-N 2.97Å; T20-D27 PolarHBondContact OG1-N 2.96Å; T20-D27 PolarHBondContact OG1-OD2 3.05Å
28I90.5Very high90.3Very high5 Ų555.7 Ų55.73%0.02631%0.312CS..EExtended strand (participates in β ladder)trans-115.7107.8173.8-53-179.9000109.3M5 Y12 T19 T20 I21 G22 C26 I30M5-I28 HydrophobicContact CE-CD1 3.6Å; M5-I28 HydrophobicContact CE-CG2 3.79Å; Y12-I28 HydrophobicContact CD1-CG2 4.15Å; Y12-I28 HydrophobicContact CG-CG2 4.24Å; T19-I28 HydrophobicContact CG2-CD1 3.73Å; T19-I28 HydrophobicContact CG2-CG1 3.91Å; T20-I28 PolarHBondContact O-N 2.97Å; I21-I28 WeakPolarHBondContact CA-O 3.38Å; I21-I28 HydrophobicContact CG1-CB 4.27Å; I21-I28 HydrophobicContact CG1-CD1 4.48Å; G22-I28 PolarHBondContact N-O 3.45Å; C26-I28 VanDerWaalsContact C-N 3.28Å; C26-I28 PolarHBondContact O-N 3.49Å; I28-I30 HydrophobicContact CG2-CG1 4.46Å
29I90.6Very high90.4Very high97 Ų9751.6 Ų51.650%0.49729%0.291SS..EExtended strand (participates in β ladder)trans-90.9118.9-179.3-59.7178.9000110.2G22 K23 C26G22-I29 CarbonylContact O-C 3.36Å; G22-I29 WeakPolarHBondContact O-CA 3.42Å; K23-I29 WeakPolarHBondContact O-CG2 3.43Å; C26-I29 VanDerWaalsContact O-CG1 3.3Å; C26-I29 WeakPolarHBondContact O-CG1 3.43Å
30I89.9Confident90.5Very high8 Ų851.5 Ų51.54%0.04129%0.291CS..  trans-111.3104.1174.6-55.8177.2000108.4I21 G22 I28 N32 V35 F83 Y90I21-I30 HydrophobicContact CG2-CD1 3.66Å; I21-I30 HydrophobicContact CG2-CG1 4.29Å; G22-I30 PolarHBondContact O-N 3.34Å; I28-I30 HydrophobicContact CG2-CG1 4.46Å; I30-N32 VanDerWaalsContact C-N 3.27Å; I30-N32 HydrophobicContact CG2-CB 4.23Å; I30-N32 PolarHBondContact O-N 2.76Å; I30-V35 HydrophobicContact CB-CG1 4.46Å; I30-V35 HydrophobicContact CG2-CG2 4.08Å; I30-F83 HydrophobicContact CD1-CB 4.21Å; I30-F83 HydrophobicContact CD1-CD2 3.39Å; I30-F83 HydrophobicContact CD1-CE2 4.02Å; I30-F83 HydrophobicContact CD1-CG 4.01Å; I30-Y90 HydrophobicContact CD1-CE1 4.48Å; I30-Y90 HydrophobicContact CD1-CE2 3.9Å
31D86.2Confident90.5Very high140 Ų14051 Ų5175%0.74929%0.288SS*.  trans-7776.4178.5-170.819.7000111.5
32N87.2Confident90.5Very high33 Ų3351 Ų5118%0.17629%0.288CS..  trans-135.7131.2173.6-172.3-59.9000109.9I30 T34 V35I30-N32 VanDerWaalsContact C-N 3.27Å; I30-N32 HydrophobicContact CG2-CB 4.23Å; I30-N32 PolarHBondContact O-N 2.76Å; N32-T34 PolarHBondContact O-N 3.05Å; N32-T34 WeakPolarHBondContact OD1-CB 3.43Å; N32-T34 PolarHBondContact OD1-N 3.31Å; N32-T34 PolarHBondContact OD1-OG1 3.07Å; N32-V35 HydrophobicContact CB-CG2 4.03Å; N32-V35 PolarHBondContact O-N 3.48Å
33P88Confident90.4Very high103 Ų10355.9 Ų55.967%0.66931%0.311SS*.THydrogen-bonded Turntrans-64.1-13.7-178.324.2-33.1000114.6
34T89.9Confident90.2Very high38 Ų3855.8 Ų55.823%0.23331%0.309CS..THydrogen-bonded Turntrans-89.9-817670.20000113.7N32 C85N32-T34 PolarHBondContact O-N 3.05Å; N32-T34 WeakPolarHBondContact OD1-CB 3.43Å; N32-T34 PolarHBondContact OD1-N 3.31Å; N32-T34 PolarHBondContact OD1-OG1 3.07Å; T34-C85 HydrophobicContact CG2-CB 4.05Å; T34-C85 PolarHBondContact OG1-N 3.2Å; T34-C85 VanDerWaalsContact OG1-N 3.08Å
35V93Very high90.2Very high2 Ų255.1 Ų55.11%0.01230%0.302CS..SBendtrans-94.1137.1173.1178.60000108.5I30 N32 H39 F83I30-V35 HydrophobicContact CB-CG1 4.46Å; I30-V35 HydrophobicContact CG2-CG2 4.08Å; N32-V35 HydrophobicContact CB-CG2 4.03Å; N32-V35 PolarHBondContact O-N 3.48Å; V35-H39 HydrophobicContact CG1-CB 3.79Å; V35-F83 HydrophobicContact CG2-CB 4.14Å
36D92Very high89.6Confident22 Ų2256 Ų5612%0.11830%0.295CS..  trans-83.4164.7-178.8-76-30.3000111.1G22 K23 Q38 H39 S58 R59G22-D36 CarbonylContact C-O 3.6Å; G22-D36 WeakPolarHBondContact CA-O 3.27Å; K23-D36 PolarHBondContact N-O 3.25Å; D36-Q38 VanDerWaalsContact C-N 3.29Å; D36-Q38 PolarHBondContact O-N 3.35Å; D36-H39 PolarHBondContact N-ND1 3.37Å; D36-S58 WeakPolarHBondContact OD2-CA 3.42Å; D36-R59 IonicContact OD1-CZ 3.8Å; D36-R59 IonicContact OD1-NE 2.68Å; D36-R59 PolarHBondContact OD1-NE 3.08Å; D36-R59 IonicContact OD1-NH2 2.79Å; D36-R59 PolarHBondContact OD1-NH2 3.21Å; D36-R59 PolarHBondContact OD2-N 3.42Å; D36-R59 IonicContact OD2-NE 3.9Å
37Q90.2Very high88.8Confident136 Ų13659.7 Ų59.764%0.63632%0.322SS*.SBendtrans-55.7-45-179-73-178-33.600111.9G22 K23 T24 C26G22-Q37 WeakPolarHBondContact CA-O 3.37Å; K23-Q37 PolarHBondContact N-O 3.06Å; T24-Q37 WeakPolarHBondContact OG1-CG 3.42Å; C26-Q37 PolarHBondContact SG-O 3.46Å
38Q91.5Very high88.1Confident132 Ų13260.6 Ų60.662%0.61733%0.326SS*.SBendtrans-121.7111.3165.8-66.5-175.5-15.200108D36 L56D36-Q38 VanDerWaalsContact C-N 3.29Å; D36-Q38 PolarHBondContact O-N 3.35Å; Q38-L56 HydrophobicContact CB-CD1 3.96Å
39H93.5Very high87.3Confident0 Ų062.6 Ų62.60%035%0.348CS..  trans-107.4-50.1-167.6-168.193.5000112.2I21 V35 D36 L56 S58 G61 T62 F83 G84I21-H39 WeakPolarHBondContact O-CA 3.38Å; I21-H39 WeakPolarHBondContact O-CB 3.33Å; I21-H39 PolarHBondContact O-N 3.34Å; V35-H39 HydrophobicContact CG1-CB 3.79Å; D36-H39 PolarHBondContact N-ND1 3.37Å; H39-L56 PolarHBondContact O-N 3.5Å; H39-S58 VanDerWaalsContact CE1-CB 3.41Å; H39-S58 WeakPolarHBondContact CE1-CB 3.2Å; H39-S58 PolarHBondContact CE1-OG 2.95Å; H39-S58 VanDerWaalsContact ND1-CB 3.28Å; H39-S58 WeakPolarHBondContact ND1-CB 3.45Å; H39-S58 PolarHBondContact NE2-OG 3.4Å; H39-G61 PolarHBondContact NE2-O 2.69Å; H39-T62 PolarHBondContact CD2-OG1 3.15Å; H39-T62 VanDerWaalsContact CD2-OG1 3.3Å; H39-T62 PolarHBondContact NE2-OG1 3.32Å; H39-F83 AromaticContact CD2-CD1 3.7Å; H39-G84 PolarHBondContact CE1-N 3.3Å; H39-G84 PolarHBondContact NE2-N 3.28Å; H39-G84 VanDerWaalsContact NE2-N 3.18Å
40A94.4Very high86.9Confident0 Ų060.4 Ų60.40%034%0.337CS..EExtended strand (participates in β ladder)trans-148.7161.5-179.100000111.6I21 R54 T62 F83I21-A40 PolarHBondContact N-O 3.06Å; I21-A40 PolarHBondContact O-N 3.23Å; A40-R54 WeakPolarHBondContact CA-O 3.23Å; A40-T62 HydrophobicContact CB-CG2 4.42Å; A40-F83 HydrophobicContact CB-CD1 4.15Å; A40-F83 HydrophobicContact CB-CE1 3.85Å
41V94.6Very high86.8Confident29 Ų2960.5 Ų60.518%0.17634%0.337CS..EExtended strand (participates in β ladder)trans-129.4134.3176.4175.30000109.6I18 T19 T20 L53 R54 L56I18-V41 HydrophobicContact CG2-CG1 3.65Å; T19-V41 WeakPolarHBondContact O-CA 3.33Å; T20-V41 HydrophobicContact CG2-CG2 4.21Å; V41-L53 CarbonylContact O-C 3.58Å; V41-L53 WeakPolarHBondContact O-CA 3.09Å; V41-R54 PolarHBondContact N-O 3.23Å; V41-R54 PolarHBondContact O-N 3.03Å; V41-L56 HydrophobicContact CG2-CD1 3.72Å; V41-L56 HydrophobicContact CG2-CD2 4.09Å; V41-L56 HydrophobicContact CG2-CG 4.02Å
42I93.7Very high87.1Confident0 Ų055.4 Ų55.40%031%0.311CS..EExtended strand (participates in β ladder)trans-106.7125.3169.4-61.8179.1000108.1I14 I18 T19 I21 L51 T52 L53 L75 L81I14-I42 HydrophobicContact CG2-CG2 4.18Å; I18-I42 CarbonylContact C-O 3.5Å; T19-I42 PolarHBondContact N-O 3.03Å; T19-I42 PolarHBondContact O-N 3.08Å; I21-I42 HydrophobicContact CD1-CD1 3.74Å; I21-I42 HydrophobicContact CD1-CG1 4.04Å; I42-L51 HydrophobicContact CG2-CD1 3.48Å; I42-L51 VanDerWaalsContact CG2-CD1 3.48Å; I42-L51 HydrophobicContact CG2-CD2 3.98Å; I42-L51 HydrophobicContact CG2-CG 3.64Å; I42-T52 CarbonylContact C-O 3.44Å; I42-T52 VanDerWaalsContact CA-O 3.26Å; I42-T52 WeakPolarHBondContact CA-O 3.36Å; I42-L53 HydrophobicContact CD1-CD1 4.21Å; I42-L53 HydrophobicContact CG1-CB 4.3Å; I42-L53 HydrophobicContact CG1-CD1 3.9Å; I42-L53 HydrophobicContact CG1-CG 4.34Å; I42-L75 HydrophobicContact CD1-CD1 4.07Å; I42-L75 HydrophobicContact CG1-CD1 4.26Å; I42-L75 HydrophobicContact CG2-CD1 4.38Å; I42-L81 HydrophobicContact CD1-CD1 4.17Å
43E91.4Very high87.4Confident102 Ų10253.9 Ų53.948%0.47730%0.303SS..EExtended strand (participates in β ladder)trans-116.2132.8178.8-172169.9-158.200109.6R17 I18 L51 T52R17-E43 CarbonylContact O-C 3.58Å; R17-E43 WeakPolarHBondContact O-CA 3.38Å; I18-E43 HydrophobicContact CG1-CG 4.04Å; E43-L51 CarbonylContact O-C 3.57Å; E43-L51 WeakPolarHBondContact O-CA 3.28Å; E43-T52 PolarHBondContact N-O 3.16Å; E43-T52 PolarHBondContact O-N 3.13Å; E43-T52 PolarHBondContact O-OG1 3.47Å
44Y87.5Confident87.7Confident73 Ų7355.7 Ų55.729%0.28630%0.297SS..EExtended strand (participates in β ladder)trans-109.2117.1174.9179.6-101.9000108.8L3 P16 R17 P46 L51L3-Y44 HydrophobicContact CD1-CE2 4.47Å; P16-Y44 WeakPolarHBondContact O-CD1 3.39Å; R17-Y44 PolarHBondContact O-N 2.96Å; Y44-P46 HydrophobicContact CE1-CB 4.13Å; Y44-P46 VanDerWaalsContact O-CD 3.24Å; Y44-P46 WeakPolarHBondContact O-CD 3.43Å; Y44-L51 HydrophobicContact CD2-CD1 3.94Å; Y44-L51 HydrophobicContact CG-CD1 4.36Å
45D82.7Confident87.9Confident58 Ų5855 Ų5531%0.3129%0.292SS..EExtended strand (participates in β ladder)trans-91.1106.5175.1-178.50.4000109.7S47 N48 G49 L50D45-S47 VanDerWaalsContact CG-OG 3.23Å; D45-S47 PolarHBondContact O-N 3.24Å; D45-S47 WeakPolarHBondContact OD1-CB 3.48Å; D45-S47 PolarHBondContact OD1-N 3.15Å; D45-S47 PolarHBondContact OD1-OG 3.05Å; D45-S47 PolarHBondContact OD2-OG 3.4Å; D45-N48 PolarHBondContact O-N 3.18Å; D45-N48 PolarHBondContact OD2-ND2 3.44Å; D45-G49 WeakPolarHBondContact O-CA 3.26Å; D45-G49 PolarHBondContact O-N 3.32Å; D45-L50 PolarHBondContact N-O 3.46Å
46P73.2Confident87.9Confident90 Ų9058.2 Ų58.258%0.58431%0.308SS*.THydrogen-bonded Turntrans-67.1-18.7-178.528.5-35.3000113.1Y44Y44-P46 HydrophobicContact CE1-CB 4.13Å; Y44-P46 VanDerWaalsContact O-CD 3.24Å; Y44-P46 WeakPolarHBondContact O-CD 3.43Å
47S75.3Confident87.6Confident92 Ų9262.8 Ų62.864%0.64334%0.342SS*.THydrogen-bonded Turntrans-75.9-34.8-178.667.90000112.6D45D45-S47 VanDerWaalsContact CG-OG 3.23Å; D45-S47 PolarHBondContact O-N 3.24Å; D45-S47 WeakPolarHBondContact OD1-CB 3.48Å; D45-S47 PolarHBondContact OD1-N 3.15Å; D45-S47 PolarHBondContact OD1-OG 3.05Å; D45-S47 PolarHBondContact OD2-OG 3.4Å
48N75.3Confident87.6Confident113 Ų11356.5 Ų56.560%0.60431%0.313SS*.THydrogen-bonded Turntrans-108.3-12.3-178.8-62.3-47.4000113.3D45 L50D45-N48 PolarHBondContact O-N 3.18Å; D45-N48 PolarHBondContact OD2-ND2 3.44Å; N48-L50 HydrophobicContact CB-CB 4.46Å; N48-L50 HydrophobicContact CB-CD1 3.69Å; N48-L50 PolarHBondContact O-N 2.99Å
49G73.5Confident87.4Confident46 Ų4659.5 Ų59.547%0.47432%0.319SS..THydrogen-bonded Turntrans66.224.6-173.400000113D45D45-G49 WeakPolarHBondContact O-CA 3.26Å; D45-G49 PolarHBondContact O-N 3.32Å
50L82.3Confident87.3Confident52 Ų5264.8 Ų64.827%0.27234%0.342SS..EExtended strand (participates in β ladder)trans-96.7138.9179.6-95.798.4000111.1D45 N48 R74D45-L50 PolarHBondContact N-O 3.46Å; N48-L50 HydrophobicContact CB-CB 4.46Å; N48-L50 HydrophobicContact CB-CD1 3.69Å; N48-L50 PolarHBondContact O-N 2.99Å; L50-R74 VanDerWaalsContact CD2-CD 3.47Å; L50-R74 HydrophobicContact CD2-CG 3.89Å
51L88.2Confident87.2Confident9 Ų964.8 Ų64.85%0.04734%0.342CS..EExtended strand (participates in β ladder)trans-104.6127.1169.9-163.373.4000108.7I14 I42 E43 Y44 L75 I92I14-L51 HydrophobicContact CD1-CD2 4.09Å; I14-L51 HydrophobicContact CG2-CD1 4.22Å; I42-L51 HydrophobicContact CG2-CD1 3.48Å; I42-L51 VanDerWaalsContact CG2-CD1 3.48Å; I42-L51 HydrophobicContact CG2-CD2 3.98Å; I42-L51 HydrophobicContact CG2-CG 3.64Å; E43-L51 CarbonylContact O-C 3.57Å; E43-L51 WeakPolarHBondContact O-CA 3.28Å; Y44-L51 HydrophobicContact CD2-CD1 3.94Å; Y44-L51 HydrophobicContact CG-CD1 4.36Å; L51-L75 HydrophobicContact CB-CB 4.21Å; L51-L75 HydrophobicContact CD2-CB 3.92Å; L51-L75 HydrophobicContact CD2-CD1 3.96Å; L51-L75 HydrophobicContact CG-CB 4.2Å; L51-L75 HydrophobicContact CG-CD1 4.37Å; L51-L75 PolarHBondContact O-N 3.49Å; L51-I92 HydrophobicContact CD2-CD1 4.36Å; L51-I92 HydrophobicContact CD2-CG2 4.38Å
52T92.1Very high87.2Confident33 Ų3363.4 Ų63.420%0.20233%0.333CS..EExtended strand (participates in β ladder)trans-121.6145.6177.753.70000110.2I42 E43 I72 V73I42-T52 CarbonylContact C-O 3.44Å; I42-T52 VanDerWaalsContact CA-O 3.26Å; I42-T52 WeakPolarHBondContact CA-O 3.36Å; E43-T52 PolarHBondContact N-O 3.16Å; E43-T52 PolarHBondContact O-N 3.13Å; E43-T52 PolarHBondContact O-OG1 3.47Å; T52-I72 HydrophobicContact CG2-CG2 4.04Å; T52-V73 CarbonylContact C-O 3.58Å; T52-V73 VanDerWaalsContact CA-O 3.3Å; T52-V73 WeakPolarHBondContact CA-O 3.33Å
53L93.9Very high87.2Confident1 Ų165.5 Ų65.51%0.00534%0.343CS..EExtended strand (participates in β ladder)trans-121.6136.7175.6173.8145.3000109.5V41 I42 T62 V64 V69 V73 L75 L81 F83V41-L53 CarbonylContact O-C 3.58Å; V41-L53 WeakPolarHBondContact O-CA 3.09Å; I42-L53 HydrophobicContact CD1-CD1 4.21Å; I42-L53 HydrophobicContact CG1-CB 4.3Å; I42-L53 HydrophobicContact CG1-CD1 3.9Å; I42-L53 HydrophobicContact CG1-CG 4.34Å; L53-T62 HydrophobicContact CD1-CG2 4.26Å; L53-T62 HydrophobicContact CD2-CG2 3.85Å; L53-V64 HydrophobicContact CD2-CG2 4.01Å; L53-V69 HydrophobicContact CD2-CB 4.35Å; L53-V69 HydrophobicContact CD2-CG1 4.08Å; L53-V69 HydrophobicContact CD2-CG2 3.78Å; L53-V73 PolarHBondContact N-O 3Å; L53-V73 PolarHBondContact O-N 3.03Å; L53-L75 HydrophobicContact CB-CD1 3.62Å; L53-L75 HydrophobicContact CB-CD2 4.04Å; L53-L75 HydrophobicContact CB-CG 3.7Å; L53-L75 HydrophobicContact CD1-CD1 4.01Å; L53-L75 HydrophobicContact CG-CD1 4.46Å; L53-L81 HydrophobicContact CD1-CD1 3.98Å; L53-L81 HydrophobicContact CD1-CD2 4.15Å; L53-F83 HydrophobicContact CD1-CE1 4.28Å; L53-F83 HydrophobicContact CD1-CZ 4.48Å
54R93.7Very high87.4Confident142 Ų14261.3 Ų61.354%0.53632%0.324SS..EExtended strand (participates in β ladder)trans-132.7127.2179.5-174.1-179.8179.9174.4-0.4109.9A40 V41 I72A40-R54 WeakPolarHBondContact CA-O 3.23Å; V41-R54 PolarHBondContact N-O 3.23Å; V41-R54 PolarHBondContact O-N 3.03Å; R54-I72 HydrophobicContact CB-CG1 4.4Å; R54-I72 HydrophobicContact CG-CG1 4.18Å
55D94.9Very high87.5Confident23 Ų2361.5 Ų61.512%0.12333%0.33CS..EExtended strand (participates in β ladder)trans-75.7133.6170.1-172.471.1000109.9S57 S58 T62D55-S57 PolarHBondContact O-N 3.11Å; D55-S57 PolarHBondContact OD2-N 3.05Å; D55-S58 WeakPolarHBondContact OD1-CB 3.43Å; D55-S58 PolarHBondContact OD1-OG 3.43Å; D55-S58 PolarHBondContact OD2-N 3.25Å; D55-S58 PolarHBondContact OD2-OG 3.43Å; D55-T62 WeakPolarHBondContact OD1-CB 3.23Å; D55-T62 PolarHBondContact OD1-N 3.44Å; D55-T62 VanDerWaalsContact OD1-N 3.15Å; D55-T62 PolarHBondContact OD1-OG1 3.28Å
56L92.1Very high87.8Confident70 Ų7064.1 Ų64.137%0.36634%0.344SS..  trans-89.343.6179.8-65.4-178.8000111.8Q38 H39 V41 S58Q38-L56 HydrophobicContact CB-CD1 3.96Å; H39-L56 PolarHBondContact O-N 3.5Å; V41-L56 HydrophobicContact CG2-CD1 3.72Å; V41-L56 HydrophobicContact CG2-CD2 4.09Å; V41-L56 HydrophobicContact CG2-CG 4.02Å; L56-S58 VanDerWaalsContact C-N 3.29Å; L56-S58 PolarHBondContact O-N 3.13Å
57S86Confident88.6Confident117 Ų11767 Ų6782%0.81835%0.35SS*.  trans55.244.3-174.7-57.60000112.4D55D55-S57 PolarHBondContact O-N 3.11Å; D55-S57 PolarHBondContact OD2-N 3.05Å
58S90.2Very high89.3Confident4 Ų469.3 Ų69.33%0.02834%0.344CS..  trans-67.6143.8-176.469.40000111.3D36 H39 D55 L56 K60 G61D36-S58 WeakPolarHBondContact OD2-CA 3.42Å; H39-S58 VanDerWaalsContact CE1-CB 3.41Å; H39-S58 WeakPolarHBondContact CE1-CB 3.2Å; H39-S58 PolarHBondContact CE1-OG 2.95Å; H39-S58 VanDerWaalsContact ND1-CB 3.28Å; H39-S58 WeakPolarHBondContact ND1-CB 3.45Å; H39-S58 PolarHBondContact NE2-OG 3.4Å; D55-S58 WeakPolarHBondContact OD1-CB 3.43Å; D55-S58 PolarHBondContact OD1-OG 3.43Å; D55-S58 PolarHBondContact OD2-N 3.25Å; D55-S58 PolarHBondContact OD2-OG 3.43Å; L56-S58 VanDerWaalsContact C-N 3.29Å; L56-S58 PolarHBondContact O-N 3.13Å; S58-K60 PolarHBondContact O-N 3.45Å; S58-K60 VanDerWaalsContact O-N 3.09Å; S58-G61 PolarHBondContact O-N 3.11Å; S58-G61 VanDerWaalsContact O-N 3.17Å; S58-G61 WeakPolarHBondContact OG-CA 3.5Å; S58-G61 PolarHBondContact OG-N 3.33Å
59R87.7Confident90Very high196 Ų19664.2 Ų64.274%0.7432%0.317SS*.SBendtrans-57.5-30.1-175.1-73.5-175.8-68.6176.3-2.3113.4D36D36-R59 IonicContact OD1-CZ 3.8Å; D36-R59 IonicContact OD1-NE 2.68Å; D36-R59 PolarHBondContact OD1-NE 3.08Å; D36-R59 IonicContact OD1-NH2 2.79Å; D36-R59 PolarHBondContact OD1-NH2 3.21Å; D36-R59 PolarHBondContact OD2-N 3.42Å; D36-R59 IonicContact OD2-NE 3.9Å
60K91.3Very high90.4Very high110 Ų11069.2 Ų69.248%0.47833%0.333SS..SBendtrans-110.9-6.8-179.3-64.8-61.3-174.2-178.30113.9S58S58-K60 PolarHBondContact O-N 3.45Å; S58-K60 VanDerWaalsContact O-N 3.09Å
61G91.9Very high90.6Very high0 Ų068.8 Ų68.80%034%0.341CS..  trans77.3160.717900000114.4H39 S58 G84H39-G61 PolarHBondContact NE2-O 2.69Å; S58-G61 PolarHBondContact O-N 3.11Å; S58-G61 VanDerWaalsContact O-N 3.17Å; S58-G61 WeakPolarHBondContact OG-CA 3.5Å; S58-G61 PolarHBondContact OG-N 3.33Å; G61-G84 WeakPolarHBondContact O-CA 3.38Å; G61-G84 PolarHBondContact O-N 3.28Å
62T94.6Very high90.7Very high0 Ų073.9 Ų73.90%037%0.367CS..EExtended strand (participates in β ladder)trans-104.5143.9169.3-59.30000110.3H39 A40 L53 D55 R68 V69 F83H39-T62 PolarHBondContact CD2-OG1 3.15Å; H39-T62 VanDerWaalsContact CD2-OG1 3.3Å; H39-T62 PolarHBondContact NE2-OG1 3.32Å; A40-T62 HydrophobicContact CB-CG2 4.42Å; L53-T62 HydrophobicContact CD1-CG2 4.26Å; L53-T62 HydrophobicContact CD2-CG2 3.85Å; D55-T62 WeakPolarHBondContact OD1-CB 3.23Å; D55-T62 PolarHBondContact OD1-N 3.44Å; D55-T62 VanDerWaalsContact OD1-N 3.15Å; D55-T62 PolarHBondContact OD1-OG1 3.28Å; T62-R68 WeakPolarHBondContact O-CA 3.49Å; T62-V69 PolarHBondContact O-N 3.45Å; T62-F83 HydrophobicContact CG2-CD1 3.57Å; T62-F83 HydrophobicContact CG2-CE1 3.54Å
63F94.3Very high90.6Very high45 Ų4574.6 Ų74.620%0.19737%0.371CS..EExtended strand (participates in β ladder)trans-124.1134-178-57-98.3000111Q67 R68 L81 R82F63-Q67 CarbonylContact C-O 3.58Å; F63-Q67 VanDerWaalsContact CA-O 3.23Å; F63-Q67 WeakPolarHBondContact CA-O 3.35Å; F63-R68 HydrophobicContact CD1-CB 3.96Å; F63-R68 HydrophobicContact CE1-CB 3.79Å; F63-R68 HydrophobicContact CE1-CG 4.19Å; F63-R68 HydrophobicContact CZ-CG 4.5Å; F63-L81 CarbonylContact O-C 3.48Å; F63-L81 WeakPolarHBondContact O-CA 3.3Å; F63-R82 HydrophobicContact CB-CB 4.28Å; F63-R82 PolarHBondContact N-O 3.03Å; F63-R82 PolarHBondContact O-N 2.73Å
64V94Very high90.5Very high13 Ų1381.6 Ų81.68%0.07940%0.397CS..EExtended strand (participates in β ladder)trans-117.3121.5171.9179.10000107L53 D66 Q67 V69 V73 L75 D79 K80 L81L53-V64 HydrophobicContact CD2-CG2 4.01Å; V64-D66 VanDerWaalsContact C-N 3.27Å; V64-D66 PolarHBondContact O-N 3.15Å; V64-Q67 PolarHBondContact N-O 3.21Å; V64-Q67 PolarHBondContact O-N 3.3Å; V64-V69 HydrophobicContact CB-CG2 4.17Å; V64-V69 HydrophobicContact CG2-CG2 3.43Å; V64-V69 VanDerWaalsContact CG2-CG2 3.43Å; V64-V73 HydrophobicContact CG2-CG1 4.39Å; V64-L75 HydrophobicContact CG1-CD2 4.08Å; V64-L75 HydrophobicContact CG2-CD2 3.99Å; V64-D79 HydrophobicContact CG1-CB 4.43Å; V64-K80 CarbonylContact C-O 3.6Å; V64-K80 WeakPolarHBondContact CA-O 3.48Å; V64-L81 HydrophobicContact CB-CD2 4.25Å; V64-L81 HydrophobicContact CG1-CD2 4.15Å; V64-L81 HydrophobicContact CG2-CD2 3.64Å
65N91.3Very high90.3Very high77 Ų7775.1 Ų75.141%0.41237%0.373SS..THydrogen-bonded Turntrans49.347.5-177.1-61.8-34.3000112.6Q67 D79 K80N65-Q67 PolarHBondContact O-N 3.14Å; N65-Q67 VanDerWaalsContact O-N 3.13Å; N65-D79 PolarHBondContact ND2-OD1 2.75Å; N65-K80 PolarHBondContact N-O 3.41Å; N65-K80 PolarHBondContact OD1-N 3.47Å
66D88.4Confident90Very high114 Ų11478.8 Ų78.861%0.6139%0.392SS*.THydrogen-bonded Turntrans63.84.6-176.3-71.5-49.6000116.6V64 R82V64-D66 VanDerWaalsContact C-N 3.27Å; V64-D66 PolarHBondContact O-N 3.15Å; D66-R82 IonicContact OD1-CZ 3.54Å; D66-R82 IonicContact OD1-NH1 2.73Å; D66-R82 PolarHBondContact OD1-NH1 3.21Å; D66-R82 IonicContact OD1-NH2 2.83Å; D66-R82 PolarHBondContact OD1-NH2 3.48Å
67Q89.7Confident89.7Confident151 Ų15179.6 Ų79.671%0.70640%0.4SS*.EExtended strand (participates in β ladder)trans-100.6132.2174.2-64.4-176.92.800110.7F63 V64 N65F63-Q67 CarbonylContact C-O 3.58Å; F63-Q67 VanDerWaalsContact CA-O 3.23Å; F63-Q67 WeakPolarHBondContact CA-O 3.35Å; V64-Q67 PolarHBondContact N-O 3.21Å; V64-Q67 PolarHBondContact O-N 3.3Å; N65-Q67 PolarHBondContact O-N 3.14Å; N65-Q67 VanDerWaalsContact O-N 3.13Å
68R90.7Very high89.8Confident140 Ų14075.6 Ų75.653%0.52838%0.377SS..EExtended strand (participates in β ladder)trans-68.6134.4178.1-170.6176-179.1175.92.2109.9T62 F63T62-R68 WeakPolarHBondContact O-CA 3.49Å; F63-R68 HydrophobicContact CD1-CB 3.96Å; F63-R68 HydrophobicContact CE1-CB 3.79Å; F63-R68 HydrophobicContact CE1-CG 4.19Å; F63-R68 HydrophobicContact CZ-CG 4.5Å
69V89.9Confident89.9Confident6 Ų676.6 Ų76.64%0.03638%0.382CS..PPolyproline II helixtrans-82116.3179.7175.60000109.9L53 T62 V64 G71 V73L53-V69 HydrophobicContact CD2-CB 4.35Å; L53-V69 HydrophobicContact CD2-CG1 4.08Å; L53-V69 HydrophobicContact CD2-CG2 3.78Å; T62-V69 PolarHBondContact O-N 3.45Å; V64-V69 HydrophobicContact CB-CG2 4.17Å; V64-V69 HydrophobicContact CG2-CG2 3.43Å; V64-V69 VanDerWaalsContact CG2-CG2 3.43Å; V69-G71 VanDerWaalsContact CG1-O 3.26Å; V69-G71 WeakPolarHBondContact CG1-O 3.41Å; V69-V73 HydrophobicContact CB-CG2 4.43Å; V69-V73 HydrophobicContact CG1-CB 4.25Å; V69-V73 HydrophobicContact CG1-CG2 3.71Å; V69-V73 HydrophobicContact CG2-CG2 4.25Å
70D81.3Confident90.2Very high151 Ų15172.5 Ų72.581%0.80737%0.37SS*.  trans-107.4101.7165.3-83-22.8000108.5
71G86.4Confident90.3Very high42 Ų4267.3 Ų67.343%0.43335%0.347SS..SBendtrans93.7-146179.800000114.6V69V69-G71 VanDerWaalsContact CG1-O 3.26Å; V69-G71 WeakPolarHBondContact CG1-O 3.41Å
72I89.6Confident90.3Very high116 Ų11669.8 Ų69.860%0.59536%0.357SS*.EExtended strand (participates in β ladder)trans-96.4118.3-176.1-58.7170.9000108.8T52 R54T52-I72 HydrophobicContact CG2-CG2 4.04Å; R54-I72 HydrophobicContact CB-CG1 4.4Å; R54-I72 HydrophobicContact CG-CG1 4.18Å
73V91.8Very high90.2Very high48 Ų4869.8 Ų69.829%0.29136%0.357SS..EExtended strand (participates in β ladder)trans-113.2137.9179.3169.90000110.1T52 L53 V64 V69T52-V73 CarbonylContact C-O 3.58Å; T52-V73 VanDerWaalsContact CA-O 3.3Å; T52-V73 WeakPolarHBondContact CA-O 3.33Å; L53-V73 PolarHBondContact N-O 3Å; L53-V73 PolarHBondContact O-N 3.03Å; V64-V73 HydrophobicContact CG2-CG1 4.39Å; V69-V73 HydrophobicContact CB-CG2 4.43Å; V69-V73 HydrophobicContact CG1-CB 4.25Å; V69-V73 HydrophobicContact CG1-CG2 3.71Å; V69-V73 HydrophobicContact CG2-CG2 4.25Å
74R90.1Very high90Very high148 Ų14867.7 Ų67.756%0.55835%0.348SS*.EExtended strand (participates in β ladder)trans-78.7129.5174.3179-179179175.50.7110.2L50L50-R74 VanDerWaalsContact CD2-CD 3.47Å; L50-R74 HydrophobicContact CD2-CG 3.89Å
75L90.2Very high89.5Confident6 Ų671.2 Ų71.23%0.03137%0.372CS..EExtended strand (participates in β ladder)trans-96.5140.7174.8-65.9-174.7000111.8I42 L51 L53 V64 L81 I92I42-L75 HydrophobicContact CD1-CD1 4.07Å; I42-L75 HydrophobicContact CG1-CD1 4.26Å; I42-L75 HydrophobicContact CG2-CD1 4.38Å; L51-L75 HydrophobicContact CB-CB 4.21Å; L51-L75 HydrophobicContact CD2-CB 3.92Å; L51-L75 HydrophobicContact CD2-CD1 3.96Å; L51-L75 HydrophobicContact CG-CB 4.2Å; L51-L75 HydrophobicContact CG-CD1 4.37Å; L51-L75 PolarHBondContact O-N 3.49Å; L53-L75 HydrophobicContact CB-CD1 3.62Å; L53-L75 HydrophobicContact CB-CD2 4.04Å; L53-L75 HydrophobicContact CB-CG 3.7Å; L53-L75 HydrophobicContact CD1-CD1 4.01Å; L53-L75 HydrophobicContact CG-CD1 4.46Å; V64-L75 HydrophobicContact CG1-CD2 4.08Å; V64-L75 HydrophobicContact CG2-CD2 3.99Å; L75-L81 HydrophobicContact CD1-CD1 4.07Å; L75-L81 HydrophobicContact CD1-CD2 4.41Å; L75-L81 HydrophobicContact CD2-CD2 3.63Å; L75-I92 HydrophobicContact CD1-CD1 4.3Å; L75-I92 HydrophobicContact CD1-CG1 4.36Å
76L88Confident88.9Confident100 Ų10067.9 Ų67.952%0.52435%0.354SS..  trans-118.2158.1173.5-63.3175.3000110.6G78 D79L76-G78 PolarHBondContact O-N 3.01Å; L76-D79 PolarHBondContact N-OD2 3.13Å; L76-D79 WeakPolarHBondContact O-CB 3.41Å; L76-D79 PolarHBondContact O-N 3.48Å; L76-D79 VanDerWaalsContact O-N 3.15Å
77V86.7Confident88.6Confident88 Ų8867.8 Ų67.853%0.53336%0.363SS..THydrogen-bonded Turntrans-64.1126.1173-177.50000109L3 I92L3-V77 HydrophobicContact CD2-CG2 3.63Å; V77-I92 CarbonylContact C-O 3.6Å; V77-I92 HydrophobicContact CG2-CG2 4.5Å
78G87.6Confident88.5Confident33 Ų3362 Ų6234%0.3434%0.338SS..THydrogen-bonded Turntrans102.1-8.4-174.300000114.4L76 I92L76-G78 PolarHBondContact O-N 3.01Å; G78-I92 PolarHBondContact N-O 2.96Å
79D92.8Very high88.5Confident24 Ų2459.6 Ų59.613%0.12833%0.334CS..  trans-67.5138.2179.1-79.6-21.8000112.2V64 N65 L76 E91 I92V64-D79 HydrophobicContact CG1-CB 4.43Å; N65-D79 PolarHBondContact ND2-OD1 2.75Å; L76-D79 PolarHBondContact N-OD2 3.13Å; L76-D79 WeakPolarHBondContact O-CB 3.41Å; L76-D79 PolarHBondContact O-N 3.48Å; L76-D79 VanDerWaalsContact O-N 3.15Å; D79-E91 WeakPolarHBondContact O-CA 3.32Å; D79-I92 PolarHBondContact O-N 3.44Å; D79-I92 VanDerWaalsContact O-N 3.08Å
80K93Very high88.7Confident111 Ų11159.9 Ų59.948%0.48334%0.335SS..EExtended strand (participates in β ladder)trans-99.2115.7-179.1-68.3179.8-177.8179.40111V64 N65 I89 Y90V64-K80 CarbonylContact C-O 3.6Å; V64-K80 WeakPolarHBondContact CA-O 3.48Å; N65-K80 PolarHBondContact N-O 3.41Å; N65-K80 PolarHBondContact OD1-N 3.47Å; K80-I89 HydrophobicContact CB-CG2 3.73Å; K80-I89 HydrophobicContact CD-CG2 4.19Å; K80-I89 HydrophobicContact CG-CG2 4.01Å; K80-Y90 CarbonylContact C-O 3.51Å; K80-Y90 VanDerWaalsContact CA-O 3.27Å; K80-Y90 WeakPolarHBondContact CA-O 3.36Å
81L93.5Very high89.2Confident0 Ų056.7 Ų56.70%032%0.315CS..EExtended strand (participates in β ladder)trans-103.1139.9-179.1-47.7-180000110.9M5 I42 L53 F63 V64 L75 F83 Y90 I92M5-L81 HydrophobicContact SD-CD1 4.01Å; I42-L81 HydrophobicContact CD1-CD1 4.17Å; L53-L81 HydrophobicContact CD1-CD1 3.98Å; L53-L81 HydrophobicContact CD1-CD2 4.15Å; F63-L81 CarbonylContact O-C 3.48Å; F63-L81 WeakPolarHBondContact O-CA 3.3Å; V64-L81 HydrophobicContact CB-CD2 4.25Å; V64-L81 HydrophobicContact CG1-CD2 4.15Å; V64-L81 HydrophobicContact CG2-CD2 3.64Å; L75-L81 HydrophobicContact CD1-CD1 4.07Å; L75-L81 HydrophobicContact CD1-CD2 4.41Å; L75-L81 HydrophobicContact CD2-CD2 3.63Å; L81-F83 HydrophobicContact CB-CE2 4.13Å; L81-F83 HydrophobicContact CB-CZ 4.04Å; L81-F83 HydrophobicContact CD1-CZ 4.22Å; L81-Y90 PolarHBondContact N-O 3.2Å; L81-Y90 PolarHBondContact O-N 3.37Å; L81-I92 HydrophobicContact CD1-CD1 3.89Å; L81-I92 HydrophobicContact CD1-CG1 4.21Å
82R92.9Very high89.5Confident53 Ų5354.7 Ų54.720%0.230%0.295CS..EExtended strand (participates in β ladder)trans-136.3136.6170.1177.7178.559.2-110.91.9109.7F63 D66 C86F63-R82 HydrophobicContact CB-CB 4.28Å; F63-R82 PolarHBondContact N-O 3.03Å; F63-R82 PolarHBondContact O-N 2.73Å; D66-R82 IonicContact OD1-CZ 3.54Å; D66-R82 IonicContact OD1-NH1 2.73Å; D66-R82 PolarHBondContact OD1-NH1 3.21Å; D66-R82 IonicContact OD1-NH2 2.83Å; D66-R82 PolarHBondContact OD1-NH2 3.48Å; R82-C86 WeakPolarHBondContact CD-O 3.42Å; R82-C86 VanDerWaalsContact CG-O 3.27Å; R82-C86 WeakPolarHBondContact CG-O 3.24Å
83F93.2Very high89.3Confident0 Ų050.6 Ų50.60%028%0.275CS..EExtended strand (participates in β ladder)trans-114.1125.3-177.6-55.8-75.8000110M5 I21 I30 V35 H39 A40 L53 T62 L81 C86 Y90M5-F83 HydrophobicContact CE-CE2 4.36Å; M5-F83 HydrophobicContact SD-CE2 4.14Å; M5-F83 HydrophobicContact SD-CZ 4.36Å; I21-F83 HydrophobicContact CD1-CE1 3.83Å; I21-F83 HydrophobicContact CD1-CE2 4.1Å; I21-F83 HydrophobicContact CD1-CZ 3.37Å; I21-F83 HydrophobicContact CG2-CD1 4.31Å; I21-F83 HydrophobicContact CG2-CD2 4.29Å; I21-F83 HydrophobicContact CG2-CE1 4.19Å; I21-F83 HydrophobicContact CG2-CE2 4.19Å; I21-F83 HydrophobicContact CG2-CG 4.34Å; I21-F83 HydrophobicContact CG2-CZ 4.14Å; I30-F83 HydrophobicContact CD1-CB 4.21Å; I30-F83 HydrophobicContact CD1-CD2 3.39Å; I30-F83 HydrophobicContact CD1-CE2 4.02Å; I30-F83 HydrophobicContact CD1-CG 4.01Å; V35-F83 HydrophobicContact CG2-CB 4.14Å; H39-F83 AromaticContact CD2-CD1 3.7Å; A40-F83 HydrophobicContact CB-CD1 4.15Å; A40-F83 HydrophobicContact CB-CE1 3.85Å; L53-F83 HydrophobicContact CD1-CE1 4.28Å; L53-F83 HydrophobicContact CD1-CZ 4.48Å; T62-F83 HydrophobicContact CG2-CD1 3.57Å; T62-F83 HydrophobicContact CG2-CE1 3.54Å; L81-F83 HydrophobicContact CB-CE2 4.13Å; L81-F83 HydrophobicContact CB-CZ 4.04Å; L81-F83 HydrophobicContact CD1-CZ 4.22Å; F83-C86 WeakPolarHBondContact O-CB 3.31Å; F83-C86 PolarHBondContact O-N 3.47Å; F83-Y90 AromaticContact CD2-CD2 3.88Å; F83-Y90 HydrophobicContact CD2-CD2 3.88Å; F83-Y90 AromaticContact CD2-CE2 3.93Å; F83-Y90 HydrophobicContact CD2-CE2 3.93Å; F83-Y90 AromaticContact CE2-CD2 3.89Å; F83-Y90 HydrophobicContact CE2-CD2 3.89Å; F83-Y90 HydrophobicContact CE2-CE2 4.3Å; F83-Y90 HydrophobicContact CE2-CG 4.3Å
84G88.9Confident88.6Confident1 Ų151.5 Ų51.51%0.0128%0.284CS..THydrogen-bonded Turntrans57.6-145.6-174.300000113.7H39 G61 C86H39-G84 PolarHBondContact CE1-N 3.3Å; H39-G84 PolarHBondContact NE2-N 3.28Å; H39-G84 VanDerWaalsContact NE2-N 3.18Å; G61-G84 WeakPolarHBondContact O-CA 3.38Å; G61-G84 PolarHBondContact O-N 3.28Å; G84-C86 PolarHBondContact O-N 3.13Å
85C83.2Confident87.1Confident87 Ų8747.9 Ų47.959%0.58828%0.279SS*.THydrogen-bonded Turntrans-91.824.5173.7-54.60000111.9T34T34-C85 HydrophobicContact CG2-CB 4.05Å; T34-C85 PolarHBondContact OG1-N 3.2Å; T34-C85 VanDerWaalsContact OG1-N 3.08Å
86C79Confident85.1Confident6 Ų650.7 Ų50.74%0.04131%0.31CS..  trans-68132.3178.1-168.40000110.5R82 F83 G84 T88R82-C86 WeakPolarHBondContact CD-O 3.42Å; R82-C86 VanDerWaalsContact CG-O 3.27Å; R82-C86 WeakPolarHBondContact CG-O 3.24Å; F83-C86 WeakPolarHBondContact O-CB 3.31Å; F83-C86 PolarHBondContact O-N 3.47Å; G84-C86 PolarHBondContact O-N 3.13Å; C86-T88 PolarHBondContact O-N 2.84Å
87S81.8Confident82.7Confident112 Ų11255.3 Ų55.378%0.78333%0.325SS*.SBendtrans-73.6-13.7177.452.10000113.4
88T88.8Confident80.1Confident30 Ų3059 Ų5918%0.18434%0.342CS..  trans-76.6125.1179.8-51.60000110.9A7 C86 Y90A7-T88 HydrophobicContact CB-CG2 3.83Å; C86-T88 PolarHBondContact O-N 2.84Å; T88-Y90 HydrophobicContact CG2-CD2 4.48Å; T88-Y90 HydrophobicContact CG2-CE1 4.37Å; T88-Y90 HydrophobicContact CG2-CE2 3.91Å
89I90.6Very high77.4Confident89 Ų8962.3 Ų62.346%0.45636%0.36SS..  trans-99.7132.5174.4-57.8173.1000108.5K80K80-I89 HydrophobicContact CB-CG2 3.73Å; K80-I89 HydrophobicContact CD-CG2 4.19Å; K80-I89 HydrophobicContact CG-CG2 4.01Å
90Y92.9Very high74.3Confident13 Ų1369.7 Ų69.75%0.05139%0.394CS..EExtended strand (participates in β ladder)trans-108.6139.4178.6-61.7-94.6000109.9M5 K6 A7 Y12 I30 K80 L81 F83 T88M5-Y90 HydrophobicContact CE-CD1 3.48Å; M5-Y90 VanDerWaalsContact CE-CD1 3.48Å; M5-Y90 HydrophobicContact CE-CE1 3.96Å; M5-Y90 HydrophobicContact CE-CG 4Å; M5-Y90 HydrophobicContact CG-CD1 4.09Å; M5-Y90 HydrophobicContact CG-CG 4.26Å; M5-Y90 HydrophobicContact SD-CD1 4.07Å; M5-Y90 HydrophobicContact SD-CG 4.06Å; K6-Y90 CarbonylContact O-C 3.5Å; K6-Y90 WeakPolarHBondContact O-CA 3.47Å; A7-Y90 HydrophobicContact CB-CD1 3.32Å; A7-Y90 HydrophobicContact CB-CE1 3.54Å; A7-Y90 HydrophobicContact CB-CG 3.99Å; Y12-Y90 HydrophobicContact CE2-CE1 4.12Å; I30-Y90 HydrophobicContact CD1-CE1 4.48Å; I30-Y90 HydrophobicContact CD1-CE2 3.9Å; K80-Y90 CarbonylContact C-O 3.51Å; K80-Y90 VanDerWaalsContact CA-O 3.27Å; K80-Y90 WeakPolarHBondContact CA-O 3.36Å; L81-Y90 PolarHBondContact N-O 3.2Å; L81-Y90 PolarHBondContact O-N 3.37Å; F83-Y90 AromaticContact CD2-CD2 3.88Å; F83-Y90 HydrophobicContact CD2-CD2 3.88Å; F83-Y90 AromaticContact CD2-CE2 3.93Å; F83-Y90 HydrophobicContact CD2-CE2 3.93Å; F83-Y90 AromaticContact CE2-CD2 3.89Å; F83-Y90 HydrophobicContact CE2-CD2 3.89Å; F83-Y90 HydrophobicContact CE2-CE2 4.3Å; F83-Y90 HydrophobicContact CE2-CG 4.3Å; T88-Y90 HydrophobicContact CG2-CD2 4.48Å; T88-Y90 HydrophobicContact CG2-CE1 4.37Å; T88-Y90 HydrophobicContact CG2-CE2 3.91Å
91E93.4Very high71.3Confident83 Ų8373.3 Ų73.339%0.38841%0.412SS..EExtended strand (participates in β ladder)trans-121.7132.5-177.9-171.9-179.5161.100111.2M5 K6 D79 T93M5-E91 CarbonylContact C-O 3.6Å; M5-E91 WeakPolarHBondContact CA-O 3.36Å; K6-E91 PolarHBondContact N-O 2.9Å; K6-E91 PolarHBondContact O-N 3.49Å; D79-E91 WeakPolarHBondContact O-CA 3.32Å; E91-T93 HydrophobicContact CG-CG2 4.29Å; E91-T93 PolarHBondContact O-N 3.4Å
92I91.5Very high68.1Low1 Ų177.7 Ų77.71%0.00544%0.443CS..EExtended strand (participates in β ladder)trans-75.7119.6174.5-59-63000109.5L3 M5 I14 L51 L75 V77 G78 D79 L81L3-I92 HydrophobicContact CD2-CG2 3.95Å; M5-I92 HydrophobicContact CB-CD1 4.28Å; M5-I92 HydrophobicContact CG-CD1 4.35Å; I14-I92 HydrophobicContact CD1-CD1 3.76Å; L51-I92 HydrophobicContact CD2-CD1 4.36Å; L51-I92 HydrophobicContact CD2-CG2 4.38Å; L75-I92 HydrophobicContact CD1-CD1 4.3Å; L75-I92 HydrophobicContact CD1-CG1 4.36Å; V77-I92 CarbonylContact C-O 3.6Å; V77-I92 HydrophobicContact CG2-CG2 4.5Å; G78-I92 PolarHBondContact N-O 2.96Å; D79-I92 PolarHBondContact O-N 3.44Å; D79-I92 VanDerWaalsContact O-N 3.08Å; L81-I92 HydrophobicContact CD1-CD1 3.89Å; L81-I92 HydrophobicContact CD1-CG1 4.21Å
93T86.2Confident64.8Low30 Ų3085.3 Ų85.318%0.18448%0.477CS..EExtended strand (participates in β ladder)trans-126.4146.7-17748.50000111.1T4 K6 E91T4-T93 PolarHBondContact N-O 3.02Å; T4-T93 PolarHBondContact O-N 3.34Å; T4-T93 PolarHBondContact O-OG1 3.03Å; T4-T93 PolarHBondContact OG1-O 3.22Å; T4-T93 PolarHBondContact OG1-OG1 3.43Å; K6-T93 HydrophobicContact CB-CG2 4.34Å; E91-T93 HydrophobicContact CG-CG2 4.29Å; E91-T93 PolarHBondContact O-N 3.4Å
94S77.3Confident61.9Low67 Ų6791.4 Ų91.447%0.46952%0.515SS..  trans-92.7145.9172.563.70000110.8G96S94-G96 PolarHBondContact O-N 3.01Å; S94-G96 VanDerWaalsContact O-N 3.08Å
95P57.1Low58.8Low72 Ų7294.1 Ų94.147%0.46854%0.543SS..SBendtrans-74101.7176.230.1-34.5000109.4F2F2-P95 WeakPolarHBondContact O-CD 3.47Å; F2-P95 WeakPolarHBondContact O-CG 3.36Å
96G48.8Very low56.1Low65 Ų6596.5 Ų96.567%0.6756%0.555SS**  trans149.663165.400000117.6S94S94-G96 PolarHBondContact O-N 3.01Å; S94-G96 VanDerWaalsContact O-N 3.08Å
97K36.8Very low53.5Low196 Ų196104.5 Ų104.585%0.85259%0.592SS**  trans-155.478149.5-75.1-163.7-177.5175.50109.5
98N32.6Very low50.8Low166 Ų166105.1 Ų105.189%0.88859%0.593SS**  trans-136.265.6159.9-90.4-6.6000107.2
99S31.3Very low48Very low102 Ų102111.9 Ų111.971%0.71362%0.623SS**  trans-78.7117.5156.7470000107E101S99-E101 PolarHBondContact O-N 3.39Å
100H27.5Very low45Very low180 Ų180114 Ų11483%0.83364%0.635SS**  trans-16102.3157.8-91.8-109.1000113.8
101E30.3Very low41.8Very low187 Ų187121.4 Ų121.487%0.87467%0.674SS**  trans-110.999.3157.2-81.4-171.4175.600108.2S99S99-E101 PolarHBondContact O-N 3.39Å
102S25.7Very low38.6Very low91 Ų91121 Ų12164%0.63669%0.693SS**  trans-59.6130.1176-52.90000110.7T104S102-T104 PolarHBondContact O-N 3.24Å
103F24.3Very low35.5Very low213 Ų213129 Ų12993%0.93474%0.736SS**  trans-33.196.2156.5-142.3-102.6000112.6
104T31.3Very low32.8Very low129 Ų129135.8 Ų135.879%0.79177%0.765SS**  trans-136.1110.5156.459.80000104S102S102-T104 PolarHBondContact O-N 3.24Å
105G23.9Very low30.4Very low58 Ų58140.7 Ų140.760%0.59878%0.781SS**  87.198.751.700000107.3
106T26.6Very low29Very low136 Ų136146.9 Ų146.983%0.83480%0.801SS**  trans71.6105.5157.5650000118.2
107Q24.6Very low27.8Very low175 Ų175155.7 Ų155.782%0.81881%0.813SS**  167.1124.495-85.3-158.6-13.300110.5
108P25.6Very low27.3Very low125 Ų125152.3 Ų152.381%0.81281%0.811SS**  trans-105.7106.5167.332.8-19.9000110
109E28.9Very low27.1Very low171 Ų171149 Ų14980%0.79981%0.807SS**  trans-148.6140.6165-82.4-160.6164.500113.1
110N29Very low27Very low133 Ų133150 Ų15071%0.71181%0.809SS**  trans79.588.6156-87.2-46.3000121.8
111L24.7Very low27.2Very low169 Ų169149 Ų14989%0.88581%0.808SS**  17.7124.3108.5-69.3159000117.4
112G27Very low27.4Very low76 Ų76144.8 Ų144.878%0.78480%0.797SS**  trans168.990.9161.900000115.4
113N26.1Very low27.5Very low167 Ų167146.5 Ų146.589%0.89381%0.806SS**  trans-49.1126.7171.8-65.8-44000113.9
114Q29.7Very low27.9Very low174 Ų174147.3 Ų147.381%0.81380%0.803SS**  trans-142.1114.9151.1-75.4-155.9-12.600112.5
115E26.9Very low27.9Very low170 Ų170147 Ų14779%0.79480%0.801SS**  trans56.2101.2136-67.9-175.5141.700122.1
116K26.6Very low28.3Very low202 Ų202153.7 Ų153.788%0.87881%0.813SS**  21.7106.4119.1-69.4-179.1177.4177.60117.8
117R24.9Very low28.4Very low249 Ų249152.8 Ų152.894%0.9481%0.808SS**  trans-142.3118135.5-77.2-168.9179.2-177.90.2110.2
118P26.5Very low28.6Very low125 Ų125150.1 Ų150.181%0.81281%0.807SS**  trans-107.9135.4169.935.5-24.7000111.7
119A27.7Very low28.7Very low96 Ų96146.9 Ų146.979%0.79380%0.796SS**  trans165.1129.1166.800000105.4
120T28.8Very low28.5Very low124 Ų124146 Ų14676%0.76180%0.797SS**  cis-165130.724.5-760000106.3
121I32.4Very low28.3Very low159 Ų159144.6 Ų144.682%0.81580%0.798SS**  trans-86.3128.8169.7-64.6172.7000108.1
122P33.9Very low28.5Very low99 Ų99144.5 Ų144.564%0.64380%0.798SS**  trans-70.8142.6176.7-17.331000113.1
123P28.6Very low28.4Very low126 Ų126146.8 Ų146.882%0.81880%0.802SS**SBendtrans-100.4109.6-171.934.7-25.5000112.4
124W32Very low28.4Very low231 Ų231143.4 Ų143.488%0.87579%0.791SS**  trans-15713.8145.653.5-90.4000113.4K126W124-K126 PolarHBondContact O-N 3.49Å
125V31Very low28.1Very low123 Ų123143.7 Ų143.775%0.74579%0.793SS**  trans-77.292167.7174.80000108V127V125-V127 HydrophobicContact CG1-CG2 3.55Å; V125-V127 PolarHBondContact O-N 3.1Å
126K32.1Very low28.2Very low197 Ų197143.7 Ų143.786%0.85780%0.797SS**  trans-90.292170.2-150.5176.8-171.2-178.80107.4W124W124-K126 PolarHBondContact O-N 3.49Å
127V29.4Very low28.1Very low118 Ų118141.4 Ų141.472%0.71579%0.794SS**  trans-85.3113.4172.4170.90000107.4V125V125-V127 HydrophobicContact CG1-CG2 3.55Å; V125-V127 PolarHBondContact O-N 3.1Å
128C29.5Very low28.2Very low119 Ų119137.3 Ų137.380%0.80479%0.789SS**  trans-105.7111.2155.2-72.30000106.8
129G27.1Very low28.1Very low57 Ų57135.7 Ų135.759%0.58878%0.779SS**  trans-74-167.8157.800000109
130D24.2Very low28Very low152 Ų152141.4 Ų141.481%0.81378%0.78SS**  cis-165.4147.2-14-115.7-34.9000102.5
131S25.6Very low27.9Very low104 Ų104142 Ų14273%0.72778%0.776SS**  trans39.2107.5146.1-52.10000119.5
132D28.8Very low27.7Very low166 Ų166140.5 Ų140.589%0.88877%0.774SS**  trans-146.5114.1142.6-105.9-24.2000111.8
133S24.2Very low27.8Very low124 Ų124141.3 Ų141.387%0.86778%0.78SS**  trans-101.5104.7170.3-69.60000108.1
134S27Very low27.8Very low96 Ų96140 Ų14067%0.67177%0.774SS**  trans-164.8122.9158.657.90000112.5
135Q23.1Very low27.8Very low181 Ų181135.5 Ų135.585%0.84677%0.767SS**  trans52.9114.1139.6-63.4179.1-1.600118.7
136I30Very low27.7Very low170 Ų170135.8 Ų135.887%0.87276%0.764SS**  -156.3118.2121.8-91.2142.4000108.6
137N23.8Very low27.6Very low153 Ų153135.8 Ų135.882%0.81876%0.764SS**  trans-75.9138.7160.5-102.4-44.8000108.5
138I25.8Very low27.3Very low163 Ų163134.6 Ų134.684%0.83677%0.767SS**  trans-171.2143.7134-91.9149.3000108.7
139P25.8Very low27.2Very low92 Ų92134.4 Ų134.460%0.59777%0.767SS**  trans-126.4178.5-147.135.7-16000115
140R25.3Very low27.1Very low216 Ų216139.3 Ų139.382%0.81578%0.779SS**  trans88.9134.6134.4-107-171.8-131.6162.44.2122.1
141I26.6Very low27.2Very low135 Ų135140.6 Ų140.669%0.69278%0.783SS**  trans101.595.6137.8-68.3153.8000116.7
142V28.4Very low26.9Very low128 Ų128140.7 Ų140.778%0.77678%0.783SS**  70.8159.486.7-115.70000115.1
143P35.5Very low26.6Very low116 Ų116137.7 Ų137.775%0.75377%0.774SS**  -126.6-159.9-122.841.7-19.1000112.8
144S27.9Very low26.6Very low99 Ų99140.5 Ų140.569%0.69277%0.774SS**  trans114.7148152.4-1550000116.2
145D33Very low26.4Very low136 Ų136141 Ų14173%0.72777%0.772SS**  trans86.7140.6164.4-61.3-7.8000116.7
146N29.8Very low26.8Very low130 Ų130140.8 Ų140.870%0.69577%0.771SS**  cis179.9156.5-21.5-123.8-40.1000104.6
147K28.7Very low26.5Very low196 Ų196140.3 Ų140.385%0.85277%0.765SS**  trans77.4127.1156.2-67.8174.2179.9179.30120.6
148A22.6Very low26.8Very low94 Ų94139.1 Ų139.178%0.77776%0.759SS**  trans-62.7152.4170.300000114.7
149S27.7Very low27Very low114 Ų114137.6 Ų137.680%0.79775%0.752SS**  169.9134.9113.847.30000111
150N24.5Very low26.9Very low160 Ų160141 Ų14186%0.85676%0.758SS**  trans-62.5128.5166.7-82.5-27.7000110.3
151M26.7Very low27Very low179 Ų179138.9 Ų138.988%0.88276%0.757SS**  trans-142.8136.1154-82.1-83.468.600110.6
152C19.6Very low27Very low107 Ų107136.1 Ų136.172%0.72376%0.755SS**  trans-92.3150.5178.5178.40000109.5
153S22.4Very low27Very low102 Ų102138.1 Ų138.171%0.71376%0.756SS**  trans66.2118.2158.2-61.70000119.9
154Q24.4Very low26.6Very low183 Ų183140.1 Ų140.186%0.85576%0.759SS**  trans-179.1116.4133.7-103.9165.2-7.900110.2
155V22Very low26.5Very low106 Ų106140.3 Ų140.364%0.64276%0.76SS**  89.1120.491.6168.60000113.5
156H31.7Very low26.4Very low178 Ų178139.1 Ų139.182%0.82476%0.763SS**  trans170.792.2145.4-96.4-63.8000107.1
157E24.5Very low26.3Very low160 Ų160141.9 Ų141.975%0.74877%0.768SS**  49.6114.174.2-78.1-163162.200116
158N30.4Very low26.2Very low127 Ų127141.2 Ų141.268%0.67977%0.768SS**  175.3127.1115.6-86.8-28.9000115
159N29.9Very low26.6Very low131 Ų131141.9 Ų141.970%0.70177%0.765SS**  trans72.2138.8133.8-64.4-10.4000121.4
160F24Very low26.7Very low165 Ų165146 Ų14672%0.72477%0.771SS**  cis-176.4160.9-6.3-142.2-118.3000108.2
161E26.7Very low26.8Very low170 Ų170143.2 Ų143.279%0.79477%0.765SS**  trans71.6141.4159.7-80.8161.3-166.100120.2
162A27.3Very low26.9Very low78 Ų78146.4 Ų146.465%0.64577%0.767SS**  cis-172.4144.76.900000112.5
163H27.6Very low27.2Very low170 Ų170146.3 Ų146.379%0.78777%0.768SS**  trans74.4128.4137.5-84.1-71.7000126.6
164L27.4Very low27.5Very low158 Ų158149.6 Ų149.683%0.82778%0.777SS**  trans80.9144.5144.9-61.8152.4000118.6
165S25.6Very low27.8Very low103 Ų103146.2 Ų146.272%0.7277%0.769SS**  cis169.5115.7-23.8161.30000106.7
166S31.9Very low28.2Very low111 Ų111148.6 Ų148.678%0.77678%0.778SS**  trans-176.4109.7152.3-164.90000107.7
167K27.2Very low27.9Very low187 Ų187147.7 Ų147.781%0.81378%0.779SS**  43.3126.180.1-74.2-171.2177.4-178.10112
168Q27.1Very low28.1Very low182 Ų182148 Ų14885%0.8579%0.786SS**  cis-161.3172.725.6-116.3-179.3-5100110.1
169P30.1Very low28.1Very low109 Ų109151.2 Ų151.271%0.70879%0.793SS**  trans-102.8162.6-170.239.5-31.6000114.1
170E30.1Very low27.9Very low199 Ų199152.8 Ų152.893%0.9380%0.8SS**  trans-161.8149.3148.2-113.8171.4-147.200113
171S26Very low28Very low103 Ų103155.2 Ų155.272%0.7281%0.806SS**  trans-91.5153.4-165.149.30000113.1
172R28.1Very low28Very low246 Ų246152.1 Ų152.193%0.92880%0.8SS**  trans-173.398.9137.6-106.2167.7-178.2-176.91.4110.7
173S27.6Very low27.9Very low105 Ų105156.4 Ų156.473%0.73481%0.812SS**  trans-73.2127.7158.750.20000109.2
174N27.1Very low27.8Very low170 Ų170158 Ų15891%0.90981%0.812SS**  trans-130.4108.8163.7-116.63.6000107.3
175T30.6Very low27.7Very low113 Ų113159.7 Ų159.769%0.69381%0.809SS**  trans-123.5132.7178.147.90000109.1
176N30.8Very low27.7Very low156 Ų156160.1 Ų160.183%0.83481%0.807SS**  trans66.1100.5145.5-56.6-13.6000119
177D26Very low27.6Very low158 Ų158164.6 Ų164.685%0.84581%0.813SS**  trans-128.7109.6158.8-97.5-34.6000109
178L29.1Very low27.4Very low168 Ų168159.4 Ų159.488%0.8881%0.805SS**  trans-154.781.9158.4-109.3134.9000111.4
179K30.2Very low27.6Very low193 Ų193158.1 Ų158.184%0.83980%0.803SS**  trans19110.5140.5-65.1175.8179.8175.60117.9
180I25.4Very low27.5Very low164 Ų164157.8 Ų157.884%0.84180%0.8SS**  trans-110.7132.5158.7-69.9174.3000108.1
181Y25.4Very low27.3Very low216 Ų216155 Ų15585%0.84779%0.791SS**  trans-100.1159.6168.7-99.9-94.5000111
182P28.3Very low27.4Very low105 Ų105157 Ų15768%0.68279%0.793SS**  trans-113.4164.2-141.940-32.8000117.9
183L24.4Very low27.5Very low168 Ų168150.7 Ų150.788%0.8878%0.784SS**  trans-44.9147.9166.8-103.974.4000116.8
184Y26.1Very low27.3Very low203 Ų203151.3 Ų151.380%0.79679%0.787SS**  trans-135.6133.3154.5-99.8-103.8000111.2
185Y25.5Very low27.4Very low194 Ų194148.1 Ų148.176%0.76178%0.778SS**  trans69.1108.5154.2-83.2-111.3000121
186V25.4Very low27.2Very low112 Ų112147.7 Ų147.768%0.67978%0.775SS**  94.4107.773.9164.90000113
187K28.3Very low27.2Very low206 Ų206147.2 Ų147.290%0.89677%0.773SS**  175.6142.6110.7-120167.3-176.6179.30112.1
188A24.3Very low27.6Very low78 Ų78145 Ų14565%0.64577%0.767SS**  trans-84.6164-170.600000114.6
189N30.5Very low27.4Very low154 Ų154141.5 Ų141.582%0.82476%0.762SS**  trans-174.895.8136.4-86.1-10.9000106.8
190T27.6Very low27.8Very low103 Ų103137.6 Ų137.663%0.63276%0.757SS**  69.3105.985.656.40000116
191L26.6Very low27.9Very low141 Ų141137.1 Ų137.174%0.73876%0.756SS**  77.2109.1123.8-64.4163.7000119.2
192D28.6Very low27.9Very low144 Ų144134.2 Ų134.277%0.7775%0.754SS**  120.9148.2114-80-9.7000119.5
193P30.6Very low27.9Very low113 Ų113134.3 Ų134.373%0.73475%0.753SS**  trans-122.5-170.3-148.637-17.4000113.1
194C22.8Very low28.1Very low119 Ų119132 Ų13280%0.80475%0.746SS**  trans103153143.7-148.90000118.6
195S29.1Very low28.4Very low102 Ų102130.6 Ų130.671%0.71375%0.752SS**  trans99.8100.8164.7-151.70000114.9
196T26.8Very low28.5Very low104 Ų104128.6 Ų128.664%0.63876%0.755SS**  99.5129.451.663.40000114.4
197N29.2Very low28.7Very low146 Ų146127.2 Ų127.278%0.78175%0.75SS**  trans85.2164150.6-59.4-25.2000118.8
198P35Very low28.9Very low112 Ų112123.9 Ų123.973%0.72775%0.747SS**  -140.9165.6-8635-13.1000116.4
199A25.1Very low29.1Very low95 Ų95123.9 Ų123.979%0.78575%0.754SS**  trans62166.9149.500000120.2
200P39.8Very low29.5Very low111 Ų111123.2 Ų123.272%0.72175%0.751SS**  cis-134.2165.1-2830.5-9.7000115.6
201N25.5Very low30.1Very low153 Ų153125.9 Ų125.982%0.81876%0.761SS**  trans40.3113.5142.9-61.9-27.3000121.8
202L27.1Very low30.9Very low156 Ų156126 Ų12682%0.81776%0.756SS**  -168.3121.6124.2-139.758.1000112.8
203T27.4Very low32Very low106 Ų106122.2 Ų122.265%0.6574%0.741SS**  trans54.2119.3139.661.40000122
204T27.9Very low33.5Very low120 Ų120120.6 Ų120.674%0.73673%0.732SS**  trans56.398.8134.264.60000117.7
205N33.3Very low35.4Very low174 Ų174120.5 Ų120.593%0.9372%0.724SS**  trans-161.8103.7139-94.9-19.1000108.5
206D28Very low36.8Very low152 Ų152121.3 Ų121.381%0.81372%0.716SS**  trans-90.7119.1176.8-142.7-10000108.5
207S29Very low38.7Very low82 Ų82122.8 Ų122.857%0.57371%0.714SS**  trans69.4112.3134.2-67.40000121.3
208T33.1Very low41Very low137 Ų137119.8 Ų119.884%0.8470%0.698SS**  95.7101.312358.30000119.9
209G28.8Very low43Very low77 Ų77121.9 Ų121.979%0.79470%0.696SS**  80.8134.2117.700000115.9
210N38.7Very low45.3Very low140 Ų140124.9 Ų124.975%0.74969%0.688SS**  cis-166.394.323.1-157.614.5000106.5F212N210-F212 PolarHBondContact O-N 3.16Å
211D39.3Very low47.3Very low160 Ų160124 Ų12486%0.85668%0.676SS**  trans-70109.5171.5-93.5-34.1000108.9S213D211-S213 PolarHBondContact O-N 3.25Å
212F43.2Very low49.9Very low143 Ų143124.2 Ų124.263%0.62767%0.669SS**  trans-58.8112.2168.4-88.9-90.6000109N210 S214N210-F212 PolarHBondContact O-N 3.16Å; F212-S214 PolarHBondContact O-N 3.09Å
213S52Low52.4Low65 Ų65122.6 Ų122.646%0.45566%0.658SS.*  trans-40.9131.5-175.81790000113.1D211 D215 Q216D211-S213 PolarHBondContact O-N 3.25Å; S213-D215 PolarHBondContact O-N 2.91Å; S213-D215 PolarHBondContact OG-N 3.42Å; S213-Q216 PolarHBondContact O-N 3.23Å
214S61.8Low55Low79 Ų79122.1 Ų122.155%0.55265%0.651SS**Hα-helixtrans-47.7-31175.4-1650000112.6F212 Q216 K217 D218F212-S214 PolarHBondContact O-N 3.09Å; S214-Q216 VanDerWaalsContact C-N 3.31Å; S214-Q216 PolarHBondContact O-N 2.89Å; S214-K217 PolarHBondContact O-N 2.88Å; S214-K217 VanDerWaalsContact O-N 3.16Å; S214-D218 PolarHBondContact O-N 2.78Å
215D63.6Low57.6Low117 Ų117123 Ų12363%0.62665%0.645SS**Hα-helixtrans-63.5-32.7178.7-73-20.9000113.6S213 K219S213-D215 PolarHBondContact O-N 2.91Å; S213-D215 PolarHBondContact OG-N 3.42Å; D215-K219 PolarHBondContact O-N 3.5Å
216Q57.7Low59.8Low119 Ų119120.9 Ų120.956%0.55663%0.629SS**Hα-helixtrans-73.3-37.9175.3-75.4-165.5-8.900111.3S213 S214 D218 K219 Y220S213-Q216 PolarHBondContact O-N 3.23Å; S214-Q216 VanDerWaalsContact C-N 3.31Å; S214-Q216 PolarHBondContact O-N 2.89Å; Q216-D218 VanDerWaalsContact C-N 3.34Å; Q216-K219 PolarHBondContact O-N 2.79Å; Q216-Y220 WeakPolarHBondContact O-CB 3.27Å; Q216-Y220 PolarHBondContact O-N 3.21Å
217K67.1Low62.2Low134 Ų134118.5 Ų118.558%0.58361%0.613SS**Hα-helixtrans-63.4-42.5173.9-70.1-177.2-179.6173.40110.6S214 K219 Y220 I221S214-K217 PolarHBondContact O-N 2.88Å; S214-K217 VanDerWaalsContact O-N 3.16Å; K217-K219 PolarHBondContact O-N 3.39Å; K217-Y220 PolarHBondContact O-N 2.88Å; K217-I221 WeakPolarHBondContact O-CB 3.5Å; K217-I221 WeakPolarHBondContact O-CD1 3.21Å; K217-I221 WeakPolarHBondContact O-CG1 3.5Å; K217-I221 PolarHBondContact O-N 3Å
218D77.1Confident64.6Low83 Ų83119.8 Ų119.844%0.44461%0.612SS.*Hα-helixtrans-67.2-35.3177.7-73.9-31.8000112.8S214 Q216 K222S214-D218 PolarHBondContact O-N 2.78Å; Q216-D218 VanDerWaalsContact C-N 3.34Å; D218-K222 WeakPolarHBondContact O-CB 3.47Å; D218-K222 PolarHBondContact O-N 3.29Å
219K77.5Confident66.8Low157 Ų157119 Ų11968%0.68360%0.603SS**Hα-helixtrans-64.9-42.9169.8-91.8-176.9175.4177.10112.5D215 Q216 K217 K222 Q223D215-K219 PolarHBondContact O-N 3.5Å; Q216-K219 PolarHBondContact O-N 2.79Å; K217-K219 PolarHBondContact O-N 3.39Å; K219-K222 PolarHBondContact O-N 3.38Å; K219-Q223 PolarHBondContact O-N 3.15Å
220Y74.4Confident69Low157 Ų157123.6 Ų123.662%0.61660%0.596SS**Hα-helixtrans-65.8-40.4178.2-136.7-91.6000111.3Q216 K217 Q223 L224Q216-Y220 WeakPolarHBondContact O-CB 3.27Å; Q216-Y220 PolarHBondContact O-N 3.21Å; K217-Y220 PolarHBondContact O-N 2.88Å; Y220-Q223 PolarHBondContact O-N 3.35Å; Y220-L224 HydrophobicContact CD1-CD1 3.96Å; Y220-L224 HydrophobicContact CD1-CG 4.31Å; Y220-L224 HydrophobicContact CE1-CD1 4.48Å; Y220-L224 WeakPolarHBondContact O-CB 3.5Å; Y220-L224 WeakPolarHBondContact O-CG 3.46Å; Y220-L224 PolarHBondContact O-N 3.3Å
221I80.2Confident70.7Confident92 Ų92121.5 Ų121.547%0.47258%0.584SS.*Hα-helixtrans-64.8-40.1174.9-68.7165.3000110.6K217 L224 K225K217-I221 WeakPolarHBondContact O-CB 3.5Å; K217-I221 WeakPolarHBondContact O-CD1 3.21Å; K217-I221 WeakPolarHBondContact O-CG1 3.5Å; K217-I221 PolarHBondContact O-N 3Å; I221-L224 PolarHBondContact O-N 3.45Å; I221-K225 WeakPolarHBondContact O-CB 3.34Å; I221-K225 PolarHBondContact O-N 2.82Å
222K81.3Confident72.6Confident158 Ų158116.2 Ų116.269%0.68756%0.563SS**Hα-helixtrans-63.1-45172.8-100.6-176.8175.5177.90112.3D218 K219 L224 K225 E226D218-K222 WeakPolarHBondContact O-CB 3.47Å; D218-K222 PolarHBondContact O-N 3.29Å; K219-K222 PolarHBondContact O-N 3.38Å; K222-L224 PolarHBondContact O-N 3.16Å; K222-K225 PolarHBondContact O-N 3.49Å; K222-E226 WeakPolarHBondContact O-CB 3.34Å; K222-E226 PolarHBondContact O-N 3.06Å
223Q79.9Confident74.2Confident122 Ų122113.2 Ų113.257%0.5756%0.558SS**Hα-helixtrans-62.7-41.1176.2-84.1-176.3-22.600112K219 Y220 E226 Q227K219-Q223 PolarHBondContact O-N 3.15Å; Y220-Q223 PolarHBondContact O-N 3.35Å; Q223-E226 PolarHBondContact O-N 3.06Å; Q223-Q227 WeakPolarHBondContact O-CB 3.19Å; Q223-Q227 VanDerWaalsContact O-CG 3.29Å; Q223-Q227 WeakPolarHBondContact O-CG 3.27Å; Q223-Q227 PolarHBondContact O-N 2.96Å
224L81.6Confident75.3Confident96 Ų96114.6 Ų114.650%0.50356%0.56SS.*Hα-helixtrans-65.1-41.4174.9-75.4168.9000111.8Y220 I221 K222 E226 Q227 I228Y220-L224 HydrophobicContact CD1-CD1 3.96Å; Y220-L224 HydrophobicContact CD1-CG 4.31Å; Y220-L224 HydrophobicContact CE1-CD1 4.48Å; Y220-L224 WeakPolarHBondContact O-CB 3.5Å; Y220-L224 WeakPolarHBondContact O-CG 3.46Å; Y220-L224 PolarHBondContact O-N 3.3Å; I221-L224 PolarHBondContact O-N 3.45Å; K222-L224 PolarHBondContact O-N 3.16Å; L224-E226 VanDerWaalsContact C-N 3.32Å; L224-E226 PolarHBondContact O-N 3.47Å; L224-Q227 PolarHBondContact O-N 3.46Å; L224-I228 WeakPolarHBondContact O-CB 3.41Å; L224-I228 VanDerWaalsContact O-CG1 3.25Å; L224-I228 WeakPolarHBondContact O-CG1 3.48Å; L224-I228 PolarHBondContact O-N 3.31Å
225K81.9Confident76.1Confident140 Ų140117.4 Ų117.461%0.60956%0.564SS**Hα-helixtrans-61.1-40172.7-103.2-178.1173.6177.70112.3I221 K222 I228 N229I221-K225 WeakPolarHBondContact O-CB 3.34Å; I221-K225 PolarHBondContact O-N 2.82Å; K222-K225 PolarHBondContact O-N 3.49Å; K225-I228 PolarHBondContact O-N 3.26Å; K225-N229 WeakPolarHBondContact O-CB 3.23Å; K225-N229 VanDerWaalsContact O-CG 3.23Å; K225-N229 PolarHBondContact O-N 3.02Å; K225-N229 PolarHBondContact O-ND2 3.36Å
226E79.7Confident76.9Confident129 Ų129114.2 Ų114.260%0.60355%0.554SS**Hα-helixtrans-70.5-37.5178.5-167.6164.9-169.400112K222 Q223 L224 N229 R230K222-E226 WeakPolarHBondContact O-CB 3.34Å; K222-E226 PolarHBondContact O-N 3.06Å; Q223-E226 PolarHBondContact O-N 3.06Å; L224-E226 VanDerWaalsContact C-N 3.32Å; L224-E226 PolarHBondContact O-N 3.47Å; E226-N229 PolarHBondContact O-N 3.39Å; E226-R230 WeakPolarHBondContact O-CG 3.36Å; E226-R230 PolarHBondContact O-N 3.1Å
227Q77.5Confident78.1Confident101 Ų101112.3 Ų112.347%0.47255%0.547SS..Hα-helixtrans-66-41.3172.4-70.7-69000112Q223 L224 N229 R230 L231Q223-Q227 WeakPolarHBondContact O-CB 3.19Å; Q223-Q227 VanDerWaalsContact O-CG 3.29Å; Q223-Q227 WeakPolarHBondContact O-CG 3.27Å; Q223-Q227 PolarHBondContact O-N 2.96Å; L224-Q227 PolarHBondContact O-N 3.46Å; Q227-N229 VanDerWaalsContact C-N 3.34Å; Q227-N229 PolarHBondContact O-N 3.27Å; Q227-R230 PolarHBondContact O-N 3.08Å; Q227-L231 WeakPolarHBondContact O-CB 3.42Å; Q227-L231 VanDerWaalsContact O-CG 3.29Å; Q227-L231 WeakPolarHBondContact O-CG 3.42Å; Q227-L231 PolarHBondContact O-N 3.48Å
228I80.7Confident78.9Confident110 Ų110109.5 Ų109.556%0.56454%0.541SS*.Hα-helixtrans-61.2-43.9173.5-70.2165.5000110.5L224 K225 R230 L231 A232L224-I228 WeakPolarHBondContact O-CB 3.41Å; L224-I228 VanDerWaalsContact O-CG1 3.25Å; L224-I228 WeakPolarHBondContact O-CG1 3.48Å; L224-I228 PolarHBondContact O-N 3.31Å; K225-I228 PolarHBondContact O-N 3.26Å; I228-R230 VanDerWaalsContact C-N 3.32Å; I228-R230 PolarHBondContact O-N 3.12Å; I228-L231 PolarHBondContact O-N 3.45Å; I228-L231 VanDerWaalsContact O-N 3.13Å; I228-A232 PolarHBondContact O-N 2.97Å; I228-A232 VanDerWaalsContact O-N 3.1Å
229N78.8Confident79.3Confident119 Ų119109 Ų10964%0.63654%0.541SS*.Hα-helixtrans-64.7-34.3176.2-72.9-19.3000112.6K225 E226 Q227 L231K225-N229 WeakPolarHBondContact O-CB 3.23Å; K225-N229 VanDerWaalsContact O-CG 3.23Å; K225-N229 PolarHBondContact O-N 3.02Å; K225-N229 PolarHBondContact O-ND2 3.36Å; E226-N229 PolarHBondContact O-N 3.39Å; Q227-N229 VanDerWaalsContact C-N 3.34Å; Q227-N229 PolarHBondContact O-N 3.27Å; N229-L231 VanDerWaalsContact C-N 3.33Å
230R74.8Confident79.9Confident174 Ų174108 Ų10866%0.65754%0.539SS*.Hα-helixtrans-71.6-25.7173.4-77-176.775-156.85.1113.3E226 Q227 I228 P233E226-R230 WeakPolarHBondContact O-CG 3.36Å; E226-R230 PolarHBondContact O-N 3.1Å; Q227-R230 PolarHBondContact O-N 3.08Å; I228-R230 VanDerWaalsContact C-N 3.32Å; I228-R230 PolarHBondContact O-N 3.12Å; R230-P233 VanDerWaalsContact O-CD 3.31Å; R230-P233 WeakPolarHBondContact O-CD 3.43Å
231L74.5Confident80.3Confident96 Ų96106.6 Ų106.650%0.50354%0.536SS..Hα-helixtrans-85.3-17.4178-72.5164.6000113.2Q227 I228 N229 P233 L234 E235Q227-L231 WeakPolarHBondContact O-CB 3.42Å; Q227-L231 VanDerWaalsContact O-CG 3.29Å; Q227-L231 WeakPolarHBondContact O-CG 3.42Å; Q227-L231 PolarHBondContact O-N 3.48Å; I228-L231 PolarHBondContact O-N 3.45Å; I228-L231 VanDerWaalsContact O-N 3.13Å; N229-L231 VanDerWaalsContact C-N 3.33Å; L231-P233 VanDerWaalsContact C-CD 3.43Å; L231-L234 HydrophobicContact CD2-CD1 3.82Å; L231-L234 WeakPolarHBondContact O-CA 3.45Å; L231-L234 WeakPolarHBondContact O-CB 3.47Å; L231-L234 PolarHBondContact O-N 3.01Å; L231-E235 PolarHBondContact O-N 2.86Å
232A79Confident80.7Confident50 Ų50106.3 Ų106.341%0.41354%0.535SS..Hα-helixtrans-54-38.6178.700000114.9I228 L234 E235 A236I228-A232 PolarHBondContact O-N 2.97Å; I228-A232 VanDerWaalsContact O-N 3.1Å; A232-L234 VanDerWaalsContact C-N 3.3Å; A232-L234 PolarHBondContact O-N 3.4Å; A232-E235 PolarHBondContact O-N 3.48Å; A232-A236 PolarHBondContact O-N 3.47Å
233P78.1Confident81.1Confident79 Ų79104.3 Ų104.351%0.51353%0.531SS..Hα-helixtrans-65.1-32.2172.9-19.432.3000113.1R230 L231 A236 I237R230-P233 VanDerWaalsContact O-CD 3.31Å; R230-P233 WeakPolarHBondContact O-CD 3.43Å; L231-P233 VanDerWaalsContact C-CD 3.43Å; P233-A236 PolarHBondContact O-N 2.89Å; P233-I237 WeakPolarHBondContact O-CG1 3.44Å; P233-I237 PolarHBondContact O-N 3.21Å; P233-I237 VanDerWaalsContact O-N 3.11Å
234L73.9Confident81.6Confident94 Ų94103.3 Ų103.349%0.49253%0.529SS..Hα-helixtrans-72.1-34176.8-72.6163.2000111L231 A232 A236 I237 T238L231-L234 HydrophobicContact CD2-CD1 3.82Å; L231-L234 WeakPolarHBondContact O-CA 3.45Å; L231-L234 WeakPolarHBondContact O-CB 3.47Å; L231-L234 PolarHBondContact O-N 3.01Å; A232-L234 VanDerWaalsContact C-N 3.3Å; A232-L234 PolarHBondContact O-N 3.4Å; L234-A236 VanDerWaalsContact C-N 3.34Å; L234-I237 HydrophobicContact CD2-CD1 4.36Å; L234-I237 PolarHBondContact O-N 2.93Å; L234-T238 WeakPolarHBondContact O-CB 3.25Å; L234-T238 PolarHBondContact O-N 3.03Å; L234-T238 PolarHBondContact O-OG1 2.83Å
235E78.7Confident81.8Confident138 Ų138102.8 Ų102.865%0.64553%0.526SS*.Hα-helixtrans-63.5-38.9172-163.3175.7-165.200111.7L231 A232 I237 T238 T239L231-E235 PolarHBondContact O-N 2.86Å; A232-E235 PolarHBondContact O-N 3.48Å; E235-I237 PolarHBondContact O-N 2.85Å; E235-T238 PolarHBondContact O-N 3.37Å; E235-T239 WeakPolarHBondContact O-CG2 3.3Å; E235-T239 PolarHBondContact O-N 3.41Å; E235-T239 PolarHBondContact O-OG1 3.49Å
236A80.4Confident82.2Confident51 Ų51103.1 Ų103.142%0.42153%0.527SS..Hα-helixtrans-63.7-38.9172.600000112.8A232 P233 L234 T239 Q240A232-A236 PolarHBondContact O-N 3.47Å; P233-A236 PolarHBondContact O-N 2.89Å; L234-A236 VanDerWaalsContact C-N 3.34Å; A236-T239 WeakPolarHBondContact CA-OG1 3.37Å; A236-T239 PolarHBondContact O-OG1 2.94Å; A236-Q240 PolarHBondContact O-N 3.15Å
237I83.6Confident82.7Confident78 Ų78102 Ų10240%0.452%0.522SS..Hα-helixtrans-68-39.3174.8-66.8165.2000110.7P233 L234 E235 Q240 K241P233-I237 WeakPolarHBondContact O-CG1 3.44Å; P233-I237 PolarHBondContact O-N 3.21Å; P233-I237 VanDerWaalsContact O-N 3.11Å; L234-I237 HydrophobicContact CD2-CD1 4.36Å; L234-I237 PolarHBondContact O-N 2.93Å; E235-I237 PolarHBondContact O-N 2.85Å; I237-Q240 PolarHBondContact O-N 3.07Å; I237-K241 HydrophobicContact CG2-CD 4.41Å; I237-K241 WeakPolarHBondContact O-CG 3.42Å; I237-K241 PolarHBondContact O-N 3.29Å
238T83.2Confident83.3Confident75 Ų75101 Ų10146%0.4652%0.519SS..Hα-helixtrans-67.2-42.8-179.5-43.80000110.6L234 E235 Q240 K241 D242L234-T238 WeakPolarHBondContact O-CB 3.25Å; L234-T238 PolarHBondContact O-N 3.03Å; L234-T238 PolarHBondContact O-OG1 2.83Å; E235-T238 PolarHBondContact O-N 3.37Å; T238-Q240 PolarHBondContact O-N 3.34Å; T238-K241 WeakPolarHBondContact O-CB 3.27Å; T238-K241 PolarHBondContact O-N 3.48Å; T238-K241 VanDerWaalsContact O-N 3.16Å; T238-D242 PolarHBondContact O-N 2.95Å
239T86.7Confident83.7Confident73 Ų73101.2 Ų101.245%0.44852%0.518SS..Hα-helixtrans-64.5-38173.452.30000112.7E235 A236 K241 D242 I243E235-T239 WeakPolarHBondContact O-CG2 3.3Å; E235-T239 PolarHBondContact O-N 3.41Å; E235-T239 PolarHBondContact O-OG1 3.49Å; A236-T239 WeakPolarHBondContact CA-OG1 3.37Å; A236-T239 PolarHBondContact O-OG1 2.94Å; T239-K241 VanDerWaalsContact C-N 3.35Å; T239-K241 PolarHBondContact O-N 3.28Å; T239-D242 PolarHBondContact O-N 3.44Å; T239-I243 WeakPolarHBondContact O-CD1 3.5Å; T239-I243 VanDerWaalsContact O-CG1 3.24Å; T239-I243 WeakPolarHBondContact O-CG1 3.45Å; T239-I243 PolarHBondContact O-N 2.71Å
240Q88.1Confident84Confident135 Ų135100.1 Ų100.163%0.63151%0.512SS*.Hα-helixtrans-61.7-40.8171-88.4-179.1-36.600112.4A236 I237 T238 I243 L244A236-Q240 PolarHBondContact O-N 3.15Å; I237-Q240 PolarHBondContact O-N 3.07Å; T238-Q240 PolarHBondContact O-N 3.34Å; Q240-I243 PolarHBondContact O-N 2.88Å; Q240-L244 WeakPolarHBondContact O-CB 3.26Å; Q240-L244 PolarHBondContact O-N 3.48Å
241K83.7Confident84.5Confident128 Ų12896 Ų9656%0.55750%0.501SS*.Hα-helixtrans-64.4-42.2175.4-74.3178.9178.2-177.50111.7I237 T238 T239 I243 L244 I245I237-K241 HydrophobicContact CG2-CD 4.41Å; I237-K241 WeakPolarHBondContact O-CG 3.42Å; I237-K241 PolarHBondContact O-N 3.29Å; T238-K241 WeakPolarHBondContact O-CB 3.27Å; T238-K241 PolarHBondContact O-N 3.48Å; T238-K241 VanDerWaalsContact O-N 3.16Å; T239-K241 VanDerWaalsContact C-N 3.35Å; T239-K241 PolarHBondContact O-N 3.28Å; K241-I243 VanDerWaalsContact C-N 3.34Å; K241-I243 PolarHBondContact O-N 3.16Å; K241-L244 PolarHBondContact O-N 2.76Å; K241-I245 WeakPolarHBondContact O-CB 3.49Å; K241-I245 VanDerWaalsContact O-CG1 3.24Å; K241-I245 WeakPolarHBondContact O-CG1 3.08Å; K241-I245 PolarHBondContact O-N 3.24Å
242D88.5Confident84.8Confident86 Ų8696 Ų9646%0.4650%0.5SS..Hα-helixtrans-64.6-37.7176.4-73-24.1000112.5T238 T239 K246T238-D242 PolarHBondContact O-N 2.95Å; T239-D242 PolarHBondContact O-N 3.44Å; D242-K246 WeakPolarHBondContact O-CB 3.37Å; D242-K246 WeakPolarHBondContact O-CG 3.45Å; D242-K246 PolarHBondContact O-N 3.29Å
243I89.6Confident84.9Confident117 Ų11796.8 Ų96.860%0.650%0.502SS*.Hα-helixtrans-65-42.9173.6-67.9164.3000110.5T239 Q240 K241 K246 H247T239-I243 WeakPolarHBondContact O-CD1 3.5Å; T239-I243 VanDerWaalsContact O-CG1 3.24Å; T239-I243 WeakPolarHBondContact O-CG1 3.45Å; T239-I243 PolarHBondContact O-N 2.71Å; Q240-I243 PolarHBondContact O-N 2.88Å; K241-I243 VanDerWaalsContact C-N 3.34Å; K241-I243 PolarHBondContact O-N 3.16Å; I243-K246 PolarHBondContact O-N 2.92Å; I243-H247 WeakPolarHBondContact O-CB 3.4Å; I243-H247 PolarHBondContact O-N 3.13Å
244L90.9Very high84.8Confident101 Ų10198.1 Ų98.153%0.52950%0.502SS..Hα-helixtrans-65.1-43.3177.3-175.266.3000111.6Q240 K241 H247 L248Q240-L244 WeakPolarHBondContact O-CB 3.26Å; Q240-L244 PolarHBondContact O-N 3.48Å; K241-L244 PolarHBondContact O-N 2.76Å; L244-H247 WeakPolarHBondContact O-CB 3.34Å; L244-H247 PolarHBondContact O-N 3.35Å; L244-L248 HydrophobicContact CG-CD1 4.18Å; L244-L248 WeakPolarHBondContact O-CG 3.3Å; L244-L248 PolarHBondContact O-N 3.47Å
245I86.7Confident84.8Confident84 Ų8498.2 Ų98.243%0.43150%0.502SS..Hα-helixtrans-61.4-45.6176.1-69.7165.5000110.1K241 H247 L248 Q249K241-I245 WeakPolarHBondContact O-CB 3.49Å; K241-I245 VanDerWaalsContact O-CG1 3.24Å; K241-I245 WeakPolarHBondContact O-CG1 3.08Å; K241-I245 PolarHBondContact O-N 3.24Å; I245-H247 VanDerWaalsContact C-N 3.31Å; I245-H247 PolarHBondContact O-N 2.67Å; I245-L248 PolarHBondContact O-N 3.49Å; I245-Q249 HydrophobicContact CG2-CG 4.33Å; I245-Q249 WeakPolarHBondContact O-CB 3.41Å; I245-Q249 VanDerWaalsContact O-CG 3.26Å; I245-Q249 WeakPolarHBondContact O-CG 3.39Å; I245-Q249 PolarHBondContact O-N 3.27Å
246K89.2Confident84.5Confident148 Ų14895 Ų9564%0.64349%0.489SS*.Hα-helixtrans-61.1-39.4174.1-79.2-179.9179.1175.50112.3D242 I243 N250D242-K246 WeakPolarHBondContact O-CB 3.37Å; D242-K246 WeakPolarHBondContact O-CG 3.45Å; D242-K246 PolarHBondContact O-N 3.29Å; I243-K246 PolarHBondContact O-N 2.92Å; K246-N250 WeakPolarHBondContact O-CB 3.31Å; K246-N250 PolarHBondContact O-N 2.8Å
247H91Very high84.1Confident104 Ų10499.1 Ų99.148%0.48150%0.499SS..Hα-helixtrans-63.3-47177.1-171.571.3000111.5I243 L244 I245 N250 Q251I243-H247 WeakPolarHBondContact O-CB 3.4Å; I243-H247 PolarHBondContact O-N 3.13Å; L244-H247 WeakPolarHBondContact O-CB 3.34Å; L244-H247 PolarHBondContact O-N 3.35Å; I245-H247 VanDerWaalsContact C-N 3.31Å; I245-H247 PolarHBondContact O-N 2.67Å; H247-N250 PolarHBondContact O-N 3.4Å; H247-Q251 PolarHBondContact NE2-NE2 3.19Å; H247-Q251 VanDerWaalsContact NE2-NE2 3.2Å; H247-Q251 WeakPolarHBondContact O-CG 3.34Å; H247-Q251 PolarHBondContact O-N 3.4Å
248L89.2Confident83.3Confident81 Ų81100 Ų10042%0.42450%0.504SS..Hα-helixtrans-64.7-42.2177.2-69.8170.3000111.9L244 I245 N250 Q251 I252L244-L248 HydrophobicContact CG-CD1 4.18Å; L244-L248 WeakPolarHBondContact O-CG 3.3Å; L244-L248 PolarHBondContact O-N 3.47Å; I245-L248 PolarHBondContact O-N 3.49Å; L248-N250 VanDerWaalsContact C-N 3.28Å; L248-N250 PolarHBondContact O-N 2.67Å; L248-Q251 PolarHBondContact O-N 2.93Å; L248-I252 VanDerWaalsContact O-CG1 3.27Å; L248-I252 WeakPolarHBondContact O-CG1 3.22Å; L248-I252 PolarHBondContact O-N 3.33Å
249Q88.4Confident81.9Confident114 Ų114100.2 Ų100.253%0.53350%0.502SS..Hα-helixtrans-61.2-36.5174.4-75.7174.4-13.600112.4I245 S253I245-Q249 HydrophobicContact CG2-CG 4.33Å; I245-Q249 WeakPolarHBondContact O-CB 3.41Å; I245-Q249 VanDerWaalsContact O-CG 3.26Å; I245-Q249 WeakPolarHBondContact O-CG 3.39Å; I245-Q249 PolarHBondContact O-N 3.27Å; Q249-S253 WeakPolarHBondContact O-CB 3.31Å; Q249-S253 PolarHBondContact O-N 3.04Å; Q249-S253 PolarHBondContact O-OG 3.06Å
250N86Confident80.1Confident97 Ų97105 Ų10552%0.51951%0.512SS..Hα-helixtrans-73.3-39.6177.8-153.66.9000111.6K246 H247 L248 S253 Q254K246-N250 WeakPolarHBondContact O-CB 3.31Å; K246-N250 PolarHBondContact O-N 2.8Å; H247-N250 PolarHBondContact O-N 3.4Å; L248-N250 VanDerWaalsContact C-N 3.28Å; L248-N250 PolarHBondContact O-N 2.67Å; N250-S253 PolarHBondContact O-N 3.36Å; N250-Q254 PolarHBondContact O-N 2.98Å
251Q85.9Confident78.2Confident88 Ų88104.9 Ų104.941%0.41152%0.515SS..Hα-helixtrans-60.9-44.2171.7-74.7-177.1-28.300111.6H247 L248 S253 Q254 I255H247-Q251 PolarHBondContact NE2-NE2 3.19Å; H247-Q251 VanDerWaalsContact NE2-NE2 3.2Å; H247-Q251 WeakPolarHBondContact O-CG 3.34Å; H247-Q251 PolarHBondContact O-N 3.4Å; L248-Q251 PolarHBondContact O-N 2.93Å; Q251-S253 VanDerWaalsContact C-N 3.32Å; Q251-S253 PolarHBondContact O-N 2.98Å; Q251-Q254 PolarHBondContact O-N 3.44Å; Q251-I255 VanDerWaalsContact O-CG1 3.3Å; Q251-I255 WeakPolarHBondContact O-CG1 3.32Å; Q251-I255 PolarHBondContact O-N 2.9Å
252I79.6Confident76.2Confident96 Ų96106.4 Ų106.449%0.49252%0.522SS..Hα-helixtrans-62.4-40.1175-68.8164.8000110.9L248 I255 N256L248-I252 VanDerWaalsContact O-CG1 3.27Å; L248-I252 WeakPolarHBondContact O-CG1 3.22Å; L248-I252 PolarHBondContact O-N 3.33Å; I252-I255 PolarHBondContact O-N 3.13Å; I252-N256 WeakPolarHBondContact O-CB 3.45Å; I252-N256 VanDerWaalsContact O-CG 3.31Å; I252-N256 PolarHBondContact O-N 2.95Å; I252-N256 PolarHBondContact O-ND2 2.85Å
253S81.7Confident73.6Confident66 Ų66109.6 Ų109.646%0.46253%0.534SS..Hα-helixtrans-64.6-39.8176.4-670000112.6Q249 N250 Q251 N256 Q257Q249-S253 WeakPolarHBondContact O-CB 3.31Å; Q249-S253 PolarHBondContact O-N 3.04Å; Q249-S253 PolarHBondContact O-OG 3.06Å; N250-S253 PolarHBondContact O-N 3.36Å; Q251-S253 VanDerWaalsContact C-N 3.32Å; Q251-S253 PolarHBondContact O-N 2.98Å; S253-N256 PolarHBondContact O-N 3.16Å; S253-Q257 PolarHBondContact O-N 2.79Å
254Q75.9Confident70.9Confident107 Ų107111.2 Ų111.250%0.554%0.539SS..Hα-helixtrans-66.4-44174.5-75.1179.514.800111.8N250 Q251 N256 Q257 I258N250-Q254 PolarHBondContact O-N 2.98Å; Q251-Q254 PolarHBondContact O-N 3.44Å; Q254-N256 VanDerWaalsContact C-N 3.3Å; Q254-N256 PolarHBondContact O-N 3.44Å; Q254-Q257 PolarHBondContact O-N 3.23Å; Q254-I258 WeakPolarHBondContact O-CG1 3.35Å; Q254-I258 PolarHBondContact O-N 2.85Å
255I73.9Confident68.1Low95 Ų95111.7 Ų111.749%0.48755%0.551SS.*Hα-helixtrans-60.3-42.2174.7-69.7164.7000110.5Q251 I252 Q257 I258 N259Q251-I255 VanDerWaalsContact O-CG1 3.3Å; Q251-I255 WeakPolarHBondContact O-CG1 3.32Å; Q251-I255 PolarHBondContact O-N 2.9Å; I252-I255 PolarHBondContact O-N 3.13Å; I255-Q257 PolarHBondContact O-N 3.19Å; I255-I258 PolarHBondContact O-N 3.14Å; I255-N259 WeakPolarHBondContact O-CB 3.41Å; I255-N259 PolarHBondContact O-N 3.45Å
256N72.2Confident65.3Low71 Ų71110.7 Ų110.738%0.3856%0.561SS.*Hα-helixtrans-68.2-32.4176.7-77.8-25.9000113.1I252 S253 Q254 R260I252-N256 WeakPolarHBondContact O-CB 3.45Å; I252-N256 VanDerWaalsContact O-CG 3.31Å; I252-N256 PolarHBondContact O-N 2.95Å; I252-N256 PolarHBondContact O-ND2 2.85Å; S253-N256 PolarHBondContact O-N 3.16Å; Q254-N256 VanDerWaalsContact C-N 3.3Å; Q254-N256 PolarHBondContact O-N 3.44Å; N256-R260 WeakPolarHBondContact O-CB 3.28Å; N256-R260 WeakPolarHBondContact O-CG 3.33Å; N256-R260 PolarHBondContact O-N 3.31Å
257Q72.3Confident62.5Low137 Ų137112 Ų11264%0.6458%0.575SS**Hα-helixtrans-68.2-41.7170.8-96.4-176.1-800111.8S253 Q254 I255 R260 L261S253-Q257 PolarHBondContact O-N 2.79Å; Q254-Q257 PolarHBondContact O-N 3.23Å; I255-Q257 PolarHBondContact O-N 3.19Å; Q257-R260 PolarHBondContact O-N 2.87Å; Q257-L261 WeakPolarHBondContact O-CG 3.44Å; Q257-L261 PolarHBondContact O-N 3.11Å
258I66.5Low59.3Low96 Ų96112.9 Ų112.949%0.49259%0.592SS.*Hα-helixtrans-63.5-43.9175.6-67.2166.3000110.2Q254 I255 R260 L261 F262Q254-I258 WeakPolarHBondContact O-CG1 3.35Å; Q254-I258 PolarHBondContact O-N 2.85Å; I255-I258 PolarHBondContact O-N 3.14Å; I258-R260 PolarHBondContact O-N 2.96Å; I258-L261 PolarHBondContact O-N 3.47Å; I258-L261 VanDerWaalsContact O-N 3.15Å; I258-F262 HydrophobicContact CG2-CD2 4.12Å; I258-F262 HydrophobicContact CG2-CE2 4.39Å; I258-F262 PolarHBondContact O-N 2.95Å
259N54.7Low56.2Low80 Ų80115.2 Ų115.243%0.42861%0.609SS.*Hα-helixtrans-65-36.9176.5-81.7-15.5000112.4I255 L261 F262 H263I255-N259 WeakPolarHBondContact O-CB 3.41Å; I255-N259 PolarHBondContact O-N 3.45Å; N259-L261 VanDerWaalsContact C-N 3.34Å; N259-F262 PolarHBondContact O-N 2.84Å; N259-H263 PolarHBondContact O-CD2 3.15Å; N259-H263 PolarHBondContact O-N 3.3Å
260R48Very low53.3Low173 Ų173115.2 Ų115.265%0.65362%0.619SS**Hα-helixtrans-66.7-35.1172.4-77.6-169.2-115.6-135.72.1112.4N256 Q257 I258 F262 H263 H264N256-R260 WeakPolarHBondContact O-CB 3.28Å; N256-R260 WeakPolarHBondContact O-CG 3.33Å; N256-R260 PolarHBondContact O-N 3.31Å; Q257-R260 PolarHBondContact O-N 2.87Å; I258-R260 PolarHBondContact O-N 2.96Å; R260-F262 VanDerWaalsContact C-N 3.31Å; R260-F262 PolarHBondContact O-N 3.46Å; R260-H263 PolarHBondContact O-N 3.34Å; R260-H264 PolarHBondContact O-CD2 3.2Å; R260-H264 VanDerWaalsContact O-CD2 3.23Å
261L48.2Very low50.2Low134 Ų134117.7 Ų117.770%0.70263%0.631SS**Hα-helixtrans-70.8-26174.3-73.1170.2000113Q257 I258 N259Q257-L261 WeakPolarHBondContact O-CG 3.44Å; Q257-L261 PolarHBondContact O-N 3.11Å; I258-L261 PolarHBondContact O-N 3.47Å; I258-L261 VanDerWaalsContact O-N 3.15Å; N259-L261 VanDerWaalsContact C-N 3.34Å
262F41.6Very low47.3Very low159 Ų159121.6 Ų121.670%0.69765%0.654SS**Hα-helixtrans-80.9-11.8173.4-94.7-84.3000114.7I258 N259 R260I258-F262 HydrophobicContact CG2-CD2 4.12Å; I258-F262 HydrophobicContact CG2-CE2 4.39Å; I258-F262 PolarHBondContact O-N 2.95Å; N259-F262 PolarHBondContact O-N 2.84Å; R260-F262 VanDerWaalsContact C-N 3.31Å; R260-F262 PolarHBondContact O-N 3.46Å
263H33.9Very low44.7Very low154 Ų154123.2 Ų123.271%0.71367%0.668SS**THydrogen-bonded Turntrans-101.915.8176.7-71.8-57.4000114.6N259 R260N259-H263 PolarHBondContact O-CD2 3.15Å; N259-H263 PolarHBondContact O-N 3.3Å; R260-H263 PolarHBondContact O-N 3.34Å
264H33.4Very low42Very low151 Ų151125.8 Ų125.870%0.69968%0.683SS**SBendtrans-11953.3173.2-62.5-36.7000112.2R260R260-H264 PolarHBondContact O-CD2 3.2Å; R260-H264 VanDerWaalsContact O-CD2 3.23Å
265S31.7Very low39.6Very low111 Ų111131.6 Ų131.678%0.77670%0.701SS**SBendtrans-15558.3165.563.30000112.9
266G27.4Very low37.3Very low63 Ų63134 Ų13465%0.64972%0.715SS**  trans176.888.717100000111.5
267N30.7Very low35Very low175 Ų175136.3 Ų136.394%0.93673%0.731SS**  trans-169.5101.2149.7-90.2-16.8000108.9
268C23.3Very low32.8Very low123 Ų123134.7 Ų134.783%0.83174%0.735SS**  trans-83.4129.4166-78.10000109.7
269T25.6Very low30.7Very low129 Ų129137.4 Ų137.479%0.79175%0.75SS**  trans31.9131143.751.80000120.6
270P26.4Very low29.4Very low115 Ų115139.1 Ų139.175%0.74776%0.758SS**  -143.3135.895.434.1-17.4000116
271I21.2Very low28.3Very low148 Ų148138.1 Ų138.176%0.75976%0.761SS**  trans48.5113.2132.1-54.8169.5000118.2
272L25.4Very low27.2Very low171 Ų171137.2 Ų137.290%0.89576%0.756SS**  -163.7115128.2-91.7-178.4000109.7
273T24.8Very low26.5Very low130 Ų130136.9 Ų136.980%0.79876%0.757SS**  trans-92.9141.2171.446.20000110.8
274P26.2Very low26Very low120 Ų120134.9 Ų134.978%0.77976%0.755SS**  -146.8127.8107.233.1-14.9000113
275R23.8Very low25.6Very low229 Ų229135 Ų13586%0.86476%0.756SS**  77.498.195.6-158.8-179.5-140.1148.44.8115.7
276N26.2Very low25.3Very low146 Ų146134.1 Ų134.178%0.78175%0.746SS**  trans-17897.1137.9-94.5-15.9000107.4
277T24Very low25.1Very low118 Ų118137.7 Ų137.772%0.72475%0.751SS**  54.799.3100.858.80000115.1
278S25.1Very low24.8Very low103 Ų103135 Ų13572%0.7274%0.741SS**  172125116.542.60000111.7
279L24.4Very low24.8Very low153 Ų153134.4 Ų134.480%0.80173%0.733SS**  trans64.6138.6134.6-57.9166.5000118.9
280I25.4Very low24.8Very low117 Ų117137.6 Ų137.660%0.674%0.739SS**  cis176.6141.1-14.7-120.4-177.2000103.2
281E25.1Very low24.6Very low152 Ų152141 Ų14171%0.7174%0.738SS**  trans61.7151.3149.5-69.4174.1-16800119.8
282N26.8Very low24.8Very low114 Ų114140.5 Ų140.561%0.6174%0.741SS**  cis-163.9133.40.1-103.1-27000107.8
283H26.1Very low24.7Very low153 Ų153138.9 Ų138.971%0.70873%0.734SS**  44.6130.4127.9-74.1-51.1000124.1
284T24.2Very low25Very low111 Ų111140.9 Ų140.968%0.68174%0.739SS**  75.6145.3127.862.60000117.5
285Q23.5Very low24.8Very low154 Ų154140 Ų14072%0.7274%0.735SS**  cis-175149.14.8-125172.8-3700108.5
286T25.1Very low24.8Very low92 Ų92134 Ų13456%0.56473%0.728SS**  trans56.3120134.460.90000120.2
287D23.9Very low24.8Very low139 Ų139134.6 Ų134.674%0.74373%0.732SS**  90.4147.3100.9-68.2-19.5000109.9
288T24.8Very low24.9Very low119 Ų119137.4 Ų137.473%0.7374%0.736SS**  cis-166.7134.527.3-16.70000107.3
289V23.4Very low24.8Very low109 Ų109140.4 Ų140.466%0.66174%0.743SS**  33.6120.4129.3-1720000119.3Y291V289-Y291 HydrophobicContact CG1-CD2 4.26Å; V289-Y291 HydrophobicContact CG1-CE2 4.42Å
290Q25.7Very low24.8Very low196 Ų196137.6 Ų137.692%0.91673%0.734SS**  trans-158121.5130-119.4169.3-1100114.7
291Y20.6Very low24.9Very low188 Ų188140.3 Ų140.374%0.73774%0.744SS**  trans-28.9141.1163.3-78.9-104.5000117.3V289V289-Y291 HydrophobicContact CG1-CD2 4.26Å; V289-Y291 HydrophobicContact CG1-CE2 4.42Å
292V27Very low24.8Very low136 Ų136140.2 Ų140.282%0.82474%0.743SS**  -153.2121.9120.91770000109.5
293N23.4Very low24.6Very low138 Ų138140.3 Ų140.374%0.73874%0.742SS**  trans-67.7132.8168.6-82.6-42.8000111.4
294L29.6Very low24.6Very low172 Ų172141.2 Ų141.290%0.90175%0.747SS**  trans-133103.1155-83.6164.1000108.1
295S23.7Very low24.5Very low100 Ų100143.8 Ų143.870%0.69975%0.751SS**  trans-85.3147175.7105.60000110.4
296S22.4Very low24.8Very low104 Ų104144 Ų14473%0.72776%0.757SS**  trans59.5103141.5-46.50000117.4
297N27.6Very low24.7Very low159 Ų159143.2 Ų143.285%0.8577%0.767SS**  trans-146.9138.6138.6-115.2-13000112.9
298Q24.4Very low25Very low176 Ų176146 Ų14682%0.82278%0.776SS**  trans-71.4142.5-167.8-65.7160.8-27.600111.9
299I23.1Very low25.1Very low167 Ų167148.7 Ų148.786%0.85678%0.78SS**  trans-125.5114.1160.8-59.4171.6000106.2
300P25.7Very low25.1Very low94 Ų94150.3 Ų150.361%0.6179%0.785SS**  trans-140144.7144.714.98000113.8
301H25.9Very low25.3Very low174 Ų174147 Ų14781%0.80678%0.778SS**  trans73.4149.7159.8-65-63.7000118.2
302H23.3Very low25.5Very low150 Ų150143.9 Ų143.969%0.69478%0.781SS**  cis177.7139.6-21.2-159.2-12.2000103.9
303I22.3Very low25.7Very low116 Ų116143.2 Ų143.260%0.59578%0.777SS**  trans63.2121.2156.4-67.1145000119
304Q27.1Very low25.7Very low172 Ų172148.2 Ų148.280%0.80479%0.785SS**  -179.5106.7116.5-140.9117.834.200107.2
305Q23.1Very low25.6Very low164 Ų164147.4 Ų147.477%0.76678%0.78SS**  43.3139.892.1-75.2-167.68.200117.3
306N28.1Very low25.9Very low159 Ų159153.7 Ų153.785%0.8579%0.788SS**  trans90112.7-179.3-59.3-16.9000113.7
307G24Very low26Very low76 Ų76154.6 Ų154.678%0.78479%0.792SS**  cis99.869.23100000109.1
308Q30.3Very low25.9Very low197 Ų197150.5 Ų150.592%0.92179%0.788SS**  trans-133.3125166.2-78.4-172.3-2100110.1
309Q25.6Very low26.3Very low176 Ų176148.2 Ų148.282%0.82279%0.791SS**  trans-76.5155.8-179-64.6173.9-12.700111.2
310N24.9Very low26.4Very low143 Ų143146.7 Ų146.777%0.76579%0.79SS**  trans52.1110.3145.2-68.4-22.2000118.5
311V28.9Very low26.7Very low127 Ų127147.6 Ų147.677%0.7780%0.796SS**  -165.9128.8106.6177.40000108.4
312P25.3Very low26.8Very low122 Ų122145.3 Ų145.379%0.79280%0.799SS**  trans-88.9114.9175.130.8-24.1000111.2
313V30.5Very low26.9Very low122 Ų122146.9 Ų146.974%0.73981%0.807SS**  trans-98.6104.4170177.40000109.1I315V313-I315 HydrophobicContact CG1-CD1 4.22Å; V313-I315 HydrophobicContact CG1-CG1 4.08Å
314R24Very low27Very low243 Ų243150 Ų15092%0.91782%0.821SS**  trans-84.7107.7170.5173.5-175.1-103-172.4-5.4108.2
315I28.5Very low27Very low155 Ų155150.7 Ų150.780%0.79582%0.821SS**  trans-125.7136.9160.3-60.5179.7000109V313V313-I315 HydrophobicContact CG1-CD1 4.22Å; V313-I315 HydrophobicContact CG1-CG1 4.08Å
316R28.2Very low27.2Very low231 Ų231150.4 Ų150.487%0.87282%0.824SS**  trans-85.6147.4-158.9-149.4176.4-164.1168.91.7111.4
317P25.6Very low27.1Very low124 Ų124147.4 Ų147.481%0.80582%0.816SS**  trans-87.3149.5173.733.6-32000112.2
318G26.3Very low27.4Very low73 Ų73150.1 Ų150.175%0.75382%0.817SS**  trans137.992.2159.700000115.6
319S30.9Very low27.2Very low128 Ų128147.1 Ų147.190%0.89581%0.807SS**  trans-157.6101.2148-26.30000110.1
320T25.2Very low27.5Very low135 Ų135146.5 Ų146.583%0.82881%0.81SS**  trans-92.7174.6154.7480000108.3
321P31.9Very low27.7Very low113 Ų113146.4 Ų146.473%0.73481%0.814SS**  cis-129.1158.1-41.334.5-18.1000111.1
322S28.1Very low27.6Very low125 Ų125149.3 Ų149.387%0.87482%0.822SS**  trans-146.9128.9161.7-86.90000112
323Q26.1Very low27.8Very low184 Ų184150.9 Ų150.986%0.8682%0.823SS**  trans-72.2123.8-176.9-60.5-179.1-6.800109.9
324M24.6Very low27.6Very low182 Ų182150.7 Ų150.790%0.89782%0.822SS**  trans-97.9106.1160.7-82.2-178.910300108.2
325K26.5Very low28.1Very low186 Ų186147.3 Ų147.381%0.80982%0.822SS**  trans-99.7100.4177.4-163.5177.7-172.7-179.30106.6
326L27.7Very low28.1Very low158 Ų158147.7 Ų147.783%0.82782%0.82SS**  trans-87.6112.7166.4-100.385000107.9
327S25.8Very low28.1Very low96 Ų96142.3 Ų142.367%0.67181%0.809SS**  trans-114.4109.8171.8-178.60000107
328T31.4Very low28.5Very low133 Ų133145.7 Ų145.782%0.81681%0.814SS**  trans-92114.5174-14.80000107.9
329N26.2Very low28.7Very low134 Ų134152.1 Ų152.172%0.71782%0.821SS**  trans-76.9128.5170.8-67-29.4000108.5
330D30.1Very low28.9Very low162 Ų162154 Ų15487%0.86682%0.819SS**  trans-153.2101.7150.6-92.7-34.3000109.4
331T29.3Very low29.2Very low141 Ų141154.4 Ų154.487%0.86582%0.817SS**PPolyproline II helixtrans-78.9117.5172.5300000109.8
332M28.1Very low29.3Very low189 Ų189155.8 Ų155.893%0.93182%0.817SS**PPolyproline II helixtrans-73.1137.4170.7-86.8-83.3158.800111.9
333L28.7Very low29.7Very low155 Ų155157 Ų15781%0.81281%0.814SS**PPolyproline II helixtrans-80.4149.7170.2-84.9153.1000111.5
334T26.5Very low30.1Very low117 Ų117157.2 Ų157.272%0.71882%0.815SS**  trans-42.6132.2166.850.50000114.5
335N34.9Very low30.9Very low172 Ų172156 Ų15692%0.9281%0.811SS**  trans-153.9146148.8-96.8-29.2000112.4
336Q27.9Very low32Very low163 Ų163149.8 Ų149.876%0.76279%0.789SS**  trans-86.9159.8-159.9-120.5167.7-78.100114.1
337D28.6Very low33.1Very low118 Ų118148.7 Ų148.763%0.63178%0.784SS**  trans69.3102.9146.9-60.3-35.1000119.7
338H34.8Very low34.9Very low195 Ų195151.7 Ų151.790%0.90379%0.787SS**  -168.8127.6111-92.4-52.1000111.9
339K28.9Very low36.5Very low208 Ų208151.8 Ų151.890%0.90478%0.778SS**  trans-65.7123.4171.5-74.9170.5171.4173.90111.2
340I36.6Very low38.3Very low168 Ų168150.5 Ų150.586%0.86277%0.771SS**  trans-138.9120.3144.3-60.5-176.4000108
341N30.1Very low40.4Very low144 Ų144149 Ų14977%0.7776%0.762SS**  trans-68.3133.2170.7-91-16.9000110.7
342N35.4Very low42.6Very low141 Ų141145.9 Ų145.975%0.75474%0.738SS**  160.8129.7121.3-82-19.8000111.5
343D35.7Very low45Very low151 Ų151142.6 Ų142.681%0.80772%0.718SS**  trans70.183.3151.6-56.1-19.5000120.9L345D343-L345 PolarHBondContact O-N 3.31Å
344H33.4Very low47.3Very low189 Ų189139 Ų13988%0.87570%0.703SS**  trans-14.6104.5137.7-108.9-64.7000117
345L42.3Very low49.8Very low155 Ų155141.5 Ų141.581%0.81270%0.699SS**  trans-148.379.9145-156.572000111.1D343 D347D343-L345 PolarHBondContact O-N 3.31Å; L345-D347 PolarHBondContact O-N 3.5Å
346T49.3Very low51.9Low56 Ų56140.3 Ų140.334%0.34468%0.682SS.*  trans30.482.2153.956.80000118.5E348 Q349T346-E348 PolarHBondContact O-N 2.91Å; T346-E348 VanDerWaalsContact O-N 3.08Å; T346-Q349 PolarHBondContact O-N 3.39Å
347D51.9Low54.5Low135 Ų135137 Ų13772%0.72267%0.667SS**Hα-helixtrans-52.3-23.5162.7-112.2-17.3000113.2L345 Q349 L350 L351L345-D347 PolarHBondContact O-N 3.5Å; D347-Q349 VanDerWaalsContact C-N 3.25Å; D347-Q349 PolarHBondContact O-N 3.32Å; D347-L350 PolarHBondContact O-N 3.3Å; D347-L351 PolarHBondContact O-N 3.19Å; D347-L351 VanDerWaalsContact O-N 3.12Å
348E62.7Low57Low159 Ų159141 Ų14174%0.74367%0.673SS**Hα-helixtrans-60.2-32174.8-166.2169.1-16800112.9T346 E352T346-E348 PolarHBondContact O-N 2.91Å; T346-E348 VanDerWaalsContact O-N 3.08Å; E348-E352 VanDerWaalsContact O-CB 3.31Å; E348-E352 WeakPolarHBondContact O-CB 3.49Å; E348-E352 PolarHBondContact O-N 3.14Å; E348-E352 VanDerWaalsContact O-N 3.15Å
349Q64.1Low59.6Low135 Ų135138.4 Ų138.463%0.63166%0.661SS**Hα-helixtrans-75.5-34.6178-66.6-171-0.400112.7T346 D347 K353T346-Q349 PolarHBondContact O-N 3.39Å; D347-Q349 VanDerWaalsContact C-N 3.25Å; D347-Q349 PolarHBondContact O-N 3.32Å; Q349-K353 WeakPolarHBondContact O-CB 3.49Å; Q349-K353 PolarHBondContact O-N 3.28Å
350L65Low62.2Low107 Ų107134.3 Ų134.356%0.5665%0.648SS**Hα-helixtrans-71.6-40.3177.9-80.2169.1000111.5D347 E352 K353 T354D347-L350 PolarHBondContact O-N 3.3Å; L350-E352 VanDerWaalsContact C-N 3.32Å; L350-E352 PolarHBondContact O-N 2.81Å; L350-K353 PolarHBondContact O-N 2.78Å; L350-T354 PolarHBondContact O-N 2.79Å; L350-T354 PolarHBondContact O-OG1 3.33Å
351L74.6Confident64.5Low131 Ų131131.4 Ų131.469%0.68663%0.633SS**Hα-helixtrans-64.1-40.8175.3-165.168000111D347 T354 R355D347-L351 PolarHBondContact O-N 3.19Å; D347-L351 VanDerWaalsContact O-N 3.12Å; L351-T354 PolarHBondContact O-N 2.99Å; L351-R355 WeakPolarHBondContact O-CB 3.4Å; L351-R355 PolarHBondContact O-N 3.37Å
352E75.5Confident67.2Low76 Ų76128 Ų12836%0.35562%0.621SS.*Hα-helixtrans-72.2-33.8179.2-161.158.9-163.200112.8E348 L350 R355 R356E348-E352 VanDerWaalsContact O-CB 3.31Å; E348-E352 WeakPolarHBondContact O-CB 3.49Å; E348-E352 PolarHBondContact O-N 3.14Å; E348-E352 VanDerWaalsContact O-N 3.15Å; L350-E352 VanDerWaalsContact C-N 3.32Å; L350-E352 PolarHBondContact O-N 2.81Å; E352-R355 WeakPolarHBondContact O-CB 3.47Å; E352-R355 PolarHBondContact O-N 3.44Å; E352-R356 WeakPolarHBondContact O-CG 3.28Å; E352-R356 PolarHBondContact O-N 2.94Å
353K77.1Confident69.7Low119 Ų119123 Ų12352%0.51760%0.603SS.*Hα-helixtrans-61.8-47.8171.1-170.3-177178.4-170.80111.2Q349 L350 R355 R356 E357Q349-K353 WeakPolarHBondContact O-CB 3.49Å; Q349-K353 PolarHBondContact O-N 3.28Å; L350-K353 PolarHBondContact O-N 2.78Å; K353-R355 VanDerWaalsContact C-N 3.26Å; K353-R355 PolarHBondContact O-N 3.48Å; K353-R356 PolarHBondContact O-N 2.88Å; K353-E357 VanDerWaalsContact CE-OE1 3.27Å; K353-E357 WeakPolarHBondContact CE-OE1 3.19Å; K353-E357 WeakPolarHBondContact O-CG 3.47Å; K353-E357 PolarHBondContact O-N 3.11Å
354T77Confident72.1Confident79 Ų79120.6 Ų120.649%0.48559%0.589SS.*Hα-helixtrans-61.2-37.1177.8-510000111.5L350 L351 R358L350-T354 PolarHBondContact O-N 2.79Å; L350-T354 PolarHBondContact O-OG1 3.33Å; L351-T354 PolarHBondContact O-N 2.99Å; T354-R358 PolarHBondContact O-N 3Å
355R80.2Confident74.7Confident171 Ų171115.6 Ų115.665%0.64557%0.572SS**Hα-helixtrans-64-44.7175.8-166.7-178.1-172.9123.71.5112.2L351 E352 K353 R358 Q359L351-R355 WeakPolarHBondContact O-CB 3.4Å; L351-R355 PolarHBondContact O-N 3.37Å; E352-R355 WeakPolarHBondContact O-CB 3.47Å; E352-R355 PolarHBondContact O-N 3.44Å; K353-R355 VanDerWaalsContact C-N 3.26Å; K353-R355 PolarHBondContact O-N 3.48Å; R355-R358 PolarHBondContact O-N 3.15Å; R355-Q359 PolarHBondContact O-N 2.87Å; R355-Q359 VanDerWaalsContact O-N 3.15Å
356R79Confident76.7Confident146 Ų146112 Ų11255%0.55156%0.556SS**Hα-helixtrans-64.9-43176.4-71.8-176.7-163.81245.8112.2E352 K353 R358 Q359 I360E352-R356 WeakPolarHBondContact O-CG 3.28Å; E352-R356 PolarHBondContact O-N 2.94Å; K353-R356 PolarHBondContact O-N 2.88Å; R356-R358 PolarHBondContact O-N 3.19Å; R356-Q359 WeakPolarHBondContact O-CB 3.38Å; R356-Q359 PolarHBondContact O-N 3.39Å; R356-Q359 VanDerWaalsContact O-N 3.11Å; R356-I360 WeakPolarHBondContact O-CG1 3.46Å; R356-I360 PolarHBondContact O-N 3.12Å
357E82.4Confident78.6Confident95 Ų95113.6 Ų113.644%0.44456%0.56SS.*Hα-helixtrans-60.9-43.3177.5-74174.7-174.200111.7K353 Q359 I360 L361K353-E357 VanDerWaalsContact CE-OE1 3.27Å; K353-E357 WeakPolarHBondContact CE-OE1 3.19Å; K353-E357 WeakPolarHBondContact O-CG 3.47Å; K353-E357 PolarHBondContact O-N 3.11Å; E357-Q359 VanDerWaalsContact C-N 3.27Å; E357-Q359 PolarHBondContact O-N 2.95Å; E357-I360 PolarHBondContact O-N 3.14Å; E357-L361 WeakPolarHBondContact O-CG 3.47Å; E357-L361 PolarHBondContact O-N 3.16Å
358R81.9Confident80.4Confident200 Ų200111.8 Ų111.876%0.75555%0.55SS*.Hα-helixtrans-59.3-37.8173-111.2-176-178.7-157.31.2112.9T354 R355 R356 S362T354-R358 PolarHBondContact O-N 3Å; R355-R358 PolarHBondContact O-N 3.15Å; R356-R358 PolarHBondContact O-N 3.19Å; R358-S362 VanDerWaalsContact O-CB 3.3Å; R358-S362 WeakPolarHBondContact O-CB 3.43Å; R358-S362 PolarHBondContact O-N 2.86Å
359Q88.3Confident81.7Confident141 Ų141110.3 Ų110.366%0.65954%0.543SS*.Hα-helixtrans-70.5-39.7-179.8-158.3169.67.400111.8R355 R356 E357 S362 G363R355-Q359 PolarHBondContact O-N 2.87Å; R355-Q359 VanDerWaalsContact O-N 3.15Å; R356-Q359 WeakPolarHBondContact O-CB 3.38Å; R356-Q359 PolarHBondContact O-N 3.39Å; R356-Q359 VanDerWaalsContact O-N 3.11Å; E357-Q359 VanDerWaalsContact C-N 3.27Å; E357-Q359 PolarHBondContact O-N 2.95Å; Q359-S362 PolarHBondContact O-N 3.37Å; Q359-G363 PolarHBondContact O-N 2.77Å
360I83Confident82.9Confident122 Ų122110.2 Ų110.263%0.62654%0.54SS*.Hα-helixtrans-64.7-47.5174.4-65.2165000110.5R356 E357 S362 G363 L364R356-I360 WeakPolarHBondContact O-CG1 3.46Å; R356-I360 PolarHBondContact O-N 3.12Å; E357-I360 PolarHBondContact O-N 3.14Å; I360-S362 VanDerWaalsContact C-N 3.34Å; I360-S362 PolarHBondContact O-N 3.48Å; I360-G363 WeakPolarHBondContact O-CA 3.48Å; I360-G363 PolarHBondContact O-N 3.25Å; I360-G363 VanDerWaalsContact O-N 3.11Å; I360-L364 PolarHBondContact O-N 3.39Å
361L84.9Confident84Confident107 Ų107108.2 Ų108.256%0.5653%0.53SS*.Hα-helixtrans-62.3-40.8177.9-72.3171000111.9E357 G363 L364 V365E357-L361 WeakPolarHBondContact O-CG 3.47Å; E357-L361 PolarHBondContact O-N 3.16Å; L361-G363 VanDerWaalsContact C-N 3.31Å; L361-G363 PolarHBondContact O-N 2.95Å; L361-L364 PolarHBondContact O-N 3.27Å; L361-V365 VanDerWaalsContact O-CG2 3.3Å; L361-V365 WeakPolarHBondContact O-CG2 3.35Å; L361-V365 PolarHBondContact O-N 3.44Å
362S87.3Confident84.7Confident74 Ų74107.3 Ų107.352%0.51753%0.526SS..Hα-helixtrans-61.3-38.6172.9-177.50000112.5R358 Q359 I360 T366R358-S362 VanDerWaalsContact O-CB 3.3Å; R358-S362 WeakPolarHBondContact O-CB 3.43Å; R358-S362 PolarHBondContact O-N 2.86Å; Q359-S362 PolarHBondContact O-N 3.37Å; I360-S362 VanDerWaalsContact C-N 3.34Å; I360-S362 PolarHBondContact O-N 3.48Å; S362-T366 PolarHBondContact O-N 2.81Å; S362-T366 VanDerWaalsContact O-N 3.15Å; S362-T366 PolarHBondContact O-OG1 3.47Å
363G87.4Confident85.4Confident35 Ų35106.9 Ų106.936%0.36153%0.531SS..Hα-helixtrans-66.2-40.8174.600000112.6Q359 I360 L361 T366 Q367Q359-G363 PolarHBondContact O-N 2.77Å; I360-G363 WeakPolarHBondContact O-CA 3.48Å; I360-G363 PolarHBondContact O-N 3.25Å; I360-G363 VanDerWaalsContact O-N 3.11Å; L361-G363 VanDerWaalsContact C-N 3.31Å; L361-G363 PolarHBondContact O-N 2.95Å; G363-T366 WeakPolarHBondContact CA-OG1 3.14Å; G363-T366 PolarHBondContact O-N 2.87Å; G363-T366 PolarHBondContact O-OG1 3.31Å; G363-Q367 WeakPolarHBondContact O-CB 3.39Å; G363-Q367 PolarHBondContact O-N 3.49Å
364L86Confident86.1Confident100 Ų100105.6 Ų105.652%0.52453%0.53SS..Hα-helixtrans-67.2-41.8177.9-168.970.6000111.8I360 L361 T366 Q367 L368I360-L364 PolarHBondContact O-N 3.39Å; L361-L364 PolarHBondContact O-N 3.27Å; L364-T366 VanDerWaalsContact C-N 3.35Å; L364-T366 PolarHBondContact O-N 2.95Å; L364-Q367 PolarHBondContact O-N 3.44Å; L364-L368 HydrophobicContact CG-CD1 4.29Å; L364-L368 WeakPolarHBondContact O-CB 3.39Å; L364-L368 WeakPolarHBondContact O-CG 2.9Å; L364-L368 PolarHBondContact O-N 2.89Å
365V89.4Confident86.7Confident84 Ų84108.8 Ų108.851%0.50954%0.537SS..Hα-helixtrans-62.1-42.6176.3169.80000111.3L361 L368 Q369L361-V365 VanDerWaalsContact O-CG2 3.3Å; L361-V365 WeakPolarHBondContact O-CG2 3.35Å; L361-V365 PolarHBondContact O-N 3.44Å; V365-L368 PolarHBondContact O-N 2.93Å; V365-Q369 WeakPolarHBondContact O-CB 3.13Å; V365-Q369 PolarHBondContact O-N 3.33Å
366T84.6Confident87.3Confident80 Ų80104.4 Ų104.449%0.49153%0.526SS..Hα-helixtrans-67.8-37.4176.839.30000112.4S362 G363 L364 K370S362-T366 PolarHBondContact O-N 2.81Å; S362-T366 VanDerWaalsContact O-N 3.15Å; S362-T366 PolarHBondContact O-OG1 3.47Å; G363-T366 WeakPolarHBondContact CA-OG1 3.14Å; G363-T366 PolarHBondContact O-N 2.87Å; G363-T366 PolarHBondContact O-OG1 3.31Å; L364-T366 VanDerWaalsContact C-N 3.35Å; L364-T366 PolarHBondContact O-N 2.95Å; T366-K370 WeakPolarHBondContact O-CB 3.35Å; T366-K370 PolarHBondContact O-N 3.15Å; T366-K370 VanDerWaalsContact O-N 3.08Å
367Q89.1Confident87.8Confident90 Ų90100.7 Ų100.742%0.42152%0.519SS..Hα-helixtrans-64-46.3173.3-174.857.14900111.6G363 L364 Q369 K370 D371G363-Q367 WeakPolarHBondContact O-CB 3.39Å; G363-Q367 PolarHBondContact O-N 3.49Å; L364-Q367 PolarHBondContact O-N 3.44Å; Q367-Q369 PolarHBondContact O-N 2.81Å; Q367-K370 WeakPolarHBondContact O-CB 2.87Å; Q367-K370 PolarHBondContact O-N 3.15Å; Q367-D371 PolarHBondContact NE2-OD1 3.07Å; Q367-D371 VanDerWaalsContact NE2-OD1 3.11Å; Q367-D371 PolarHBondContact NE2-OD2 2.88Å; Q367-D371 PolarHBondContact O-N 3.45Å
368L90.1Very high88.2Confident97 Ų97101.9 Ų101.951%0.50853%0.525SS..Hα-helixtrans-63.6-38.9177.3-74.4171.9000112.6L364 V365 K370 D371 L372L364-L368 HydrophobicContact CG-CD1 4.29Å; L364-L368 WeakPolarHBondContact O-CB 3.39Å; L364-L368 WeakPolarHBondContact O-CG 2.9Å; L364-L368 PolarHBondContact O-N 2.89Å; V365-L368 PolarHBondContact O-N 2.93Å; L368-K370 VanDerWaalsContact C-N 3.33Å; L368-K370 PolarHBondContact O-N 3.21Å; L368-D371 PolarHBondContact O-N 2.81Å; L368-L372 WeakPolarHBondContact O-CB 3.39Å; L368-L372 PolarHBondContact O-N 2.8Å
369Q89.4Confident88.6Confident128 Ų12897 Ų9760%0.59851%0.512SS*.Hα-helixtrans-62.6-39.5173.5-94.7175.6-32.700112.4V365 Q367 S373V365-Q369 WeakPolarHBondContact O-CB 3.13Å; V365-Q369 PolarHBondContact O-N 3.33Å; Q367-Q369 PolarHBondContact O-N 2.81Å; Q369-S373 WeakPolarHBondContact O-CB 3.39Å; Q369-S373 PolarHBondContact O-N 2.83Å
370K88.9Confident88.7Confident132 Ų13295.2 Ų95.257%0.57451%0.507SS*.Hα-helixtrans-66.6-41.6176-171.6-179.9180-177.90111.6T366 Q367 L368 S373 N374T366-K370 WeakPolarHBondContact O-CB 3.35Å; T366-K370 PolarHBondContact O-N 3.15Å; T366-K370 VanDerWaalsContact O-N 3.08Å; Q367-K370 WeakPolarHBondContact O-CB 2.87Å; Q367-K370 PolarHBondContact O-N 3.15Å; L368-K370 VanDerWaalsContact C-N 3.33Å; L368-K370 PolarHBondContact O-N 3.21Å; K370-S373 PolarHBondContact O-N 2.97Å; K370-N374 PolarHBondContact O-N 3.04Å
371D88.8Confident89Confident66 Ų6696.9 Ų96.935%0.35351%0.505SS..Hα-helixtrans-68.8-37.3178.8-69.4-21.5000112Q367 L368 N374 K375Q367-D371 PolarHBondContact NE2-OD1 3.07Å; Q367-D371 VanDerWaalsContact NE2-OD1 3.11Å; Q367-D371 PolarHBondContact NE2-OD2 2.88Å; Q367-D371 PolarHBondContact O-N 3.45Å; L368-D371 PolarHBondContact O-N 2.81Å; D371-N374 PolarHBondContact O-N 3.39Å; D371-K375 WeakPolarHBondContact O-CB 3.13Å; D371-K375 WeakPolarHBondContact O-CG 3.41Å; D371-K375 PolarHBondContact O-N 3.48Å
372L89.5Confident89.3Confident112 Ų11296.4 Ų96.459%0.58650%0.503SS*.Hα-helixtrans-60.6-48.2170.1-96.3156.3000111.6L368 N374 K375 D376L368-L372 WeakPolarHBondContact O-CB 3.39Å; L368-L372 PolarHBondContact O-N 2.8Å; L372-N374 VanDerWaalsContact C-N 3.34Å; L372-N374 PolarHBondContact O-N 3.35Å; L372-K375 PolarHBondContact O-N 2.75Å; L372-D376 PolarHBondContact O-N 2.76Å
373S89.8Confident89.5Confident67 Ų6796.7 Ų96.747%0.46950%0.499SS..Hα-helixtrans-60.6-41.4177177.80000112.4Q369 K370 D376 V377Q369-S373 WeakPolarHBondContact O-CB 3.39Å; Q369-S373 PolarHBondContact O-N 2.83Å; K370-S373 PolarHBondContact O-N 2.97Å; S373-D376 PolarHBondContact O-N 2.85Å; S373-V377 WeakPolarHBondContact O-CG2 3.47Å; S373-V377 PolarHBondContact O-N 3.42Å
374N90.9Very high89.6Confident91 Ų91102.3 Ų102.349%0.48751%0.513SS..Hα-helixtrans-65-42175.3-85.7-19.8000112.3K370 D371 L372 V377 Q378K370-N374 PolarHBondContact O-N 3.04Å; D371-N374 PolarHBondContact O-N 3.39Å; L372-N374 VanDerWaalsContact C-N 3.34Å; L372-N374 PolarHBondContact O-N 3.35Å; N374-V377 PolarHBondContact O-N 3.44Å; N374-Q378 WeakPolarHBondContact O-CB 3.47Å; N374-Q378 PolarHBondContact O-N 3.46Å
375K89.9Confident89.9Confident146 Ų146102.4 Ų102.464%0.63551%0.511SS*.Hα-helixtrans-63.6-40.2175.2-76.7-170.2179.2-176.10111.7D371 L372 V377 Q378 M379D371-K375 WeakPolarHBondContact O-CB 3.13Å; D371-K375 WeakPolarHBondContact O-CG 3.41Å; D371-K375 PolarHBondContact O-N 3.48Å; L372-K375 PolarHBondContact O-N 2.75Å; K375-V377 PolarHBondContact O-N 3.03Å; K375-Q378 PolarHBondContact O-N 2.93Å; K375-M379 VanDerWaalsContact O-CB 3.31Å; K375-M379 WeakPolarHBondContact O-CB 3.14Å; K375-M379 PolarHBondContact O-N 3.45Å
376D92.5Very high89.9Confident80 Ų80103.9 Ų103.943%0.42852%0.515SS..Hα-helixtrans-62.6-40.8174.2-81.4-33000112.3L372 S373 Q378 M379 N380L372-D376 PolarHBondContact O-N 2.76Å; S373-D376 PolarHBondContact O-N 2.85Å; D376-Q378 VanDerWaalsContact C-N 3.34Å; D376-Q378 PolarHBondContact O-N 3.18Å; D376-M379 PolarHBondContact O-N 3.08Å; D376-N380 WeakPolarHBondContact O-CB 3.48Å; D376-N380 PolarHBondContact O-N 2.72Å; D376-N380 PolarHBondContact O-ND2 3.1Å
377V89.8Confident90.1Very high67 Ų67103.5 Ų103.541%0.40652%0.516SS..Hα-helixtrans-63.2-41.6174.2170.40000111.1S373 N374 K375 R381S373-V377 WeakPolarHBondContact O-CG2 3.47Å; S373-V377 PolarHBondContact O-N 3.42Å; N374-V377 PolarHBondContact O-N 3.44Å; K375-V377 PolarHBondContact O-N 3.03Å; V377-R381 PolarHBondContact O-N 3.42Å; V377-R381 VanDerWaalsContact O-N 3.08Å
378Q89.9Confident90.1Very high121 Ų121104.7 Ų104.757%0.56552%0.521SS*.Hα-helixtrans-68.2-41.5179.5-159.2174.353.100111.6N374 K375 D376 R381 L382N374-Q378 WeakPolarHBondContact O-CB 3.47Å; N374-Q378 PolarHBondContact O-N 3.46Å; K375-Q378 PolarHBondContact O-N 2.93Å; D376-Q378 VanDerWaalsContact C-N 3.34Å; D376-Q378 PolarHBondContact O-N 3.18Å; Q378-R381 WeakPolarHBondContact O-CB 3.44Å; Q378-R381 PolarHBondContact O-N 3.01Å; Q378-L382 PolarHBondContact O-N 3.32Å
379M90.7Very high90Very high96 Ų96105.7 Ų105.747%0.47353%0.525SS..Hα-helixtrans-65.2-39.8177.6-156.4-116.2-58.100111.6K375 D376 R381 L382 N383K375-M379 VanDerWaalsContact O-CB 3.31Å; K375-M379 WeakPolarHBondContact O-CB 3.14Å; K375-M379 PolarHBondContact O-N 3.45Å; D376-M379 PolarHBondContact O-N 3.08Å; M379-R381 VanDerWaalsContact C-N 3.33Å; M379-R381 PolarHBondContact O-N 3.46Å; M379-L382 PolarHBondContact O-N 3.1Å; M379-N383 WeakPolarHBondContact O-CB 3.34Å; M379-N383 PolarHBondContact O-N 3.32Å; M379-N383 PolarHBondContact O-ND2 2.94Å
380N90.1Very high90.1Very high104 Ų104106.7 Ų106.756%0.55653%0.528SS*.Hα-helixtrans-64.7-35.8172.4-78.3-46.9000113D376 K384D376-N380 WeakPolarHBondContact O-CB 3.48Å; D376-N380 PolarHBondContact O-N 2.72Å; D376-N380 PolarHBondContact O-ND2 3.1Å; N380-K384 PolarHBondContact O-N 2.88Å; N380-K384 VanDerWaalsContact O-N 3.12Å
381R90.1Very high90.2Very high157 Ų157105.5 Ų105.559%0.59253%0.527SS*.Hα-helixtrans-64.8-48.6175.9-133.8-179.8-76.5165.1-6110.9V377 Q378 M379 N383 K384 E385V377-R381 PolarHBondContact O-N 3.42Å; V377-R381 VanDerWaalsContact O-N 3.08Å; Q378-R381 WeakPolarHBondContact O-CB 3.44Å; Q378-R381 PolarHBondContact O-N 3.01Å; M379-R381 VanDerWaalsContact C-N 3.33Å; M379-R381 PolarHBondContact O-N 3.46Å; R381-N383 PolarHBondContact O-N 3.26Å; R381-K384 WeakPolarHBondContact O-CB 3.33Å; R381-K384 PolarHBondContact O-N 3.43Å; R381-K384 VanDerWaalsContact O-N 3.14Å; R381-E385 PolarHBondContact O-N 2.91Å; R381-E385 VanDerWaalsContact O-N 3.08Å
382L90.4Very high90.2Very high98 Ų98107.3 Ų107.351%0.51353%0.534SS..Hα-helixtrans-61.8-40.6176.3-72.8169.2000112.5Q378 M379 K384 E385 L386Q378-L382 PolarHBondContact O-N 3.32Å; M379-L382 PolarHBondContact O-N 3.1Å; L382-K384 VanDerWaalsContact C-N 3.28Å; L382-K384 PolarHBondContact O-N 3.11Å; L382-E385 PolarHBondContact O-N 3.37Å; L382-L386 PolarHBondContact O-N 2.83Å
383N91.4Very high90.2Very high80 Ų80107.3 Ų107.343%0.42853%0.534SS..Hα-helixtrans-62.4-35.9175-84.5-27.6000112.4M379 R381 L386 S387M379-N383 WeakPolarHBondContact O-CB 3.34Å; M379-N383 PolarHBondContact O-N 3.32Å; M379-N383 PolarHBondContact O-ND2 2.94Å; R381-N383 PolarHBondContact O-N 3.26Å; N383-L386 PolarHBondContact O-N 3.19Å; N383-S387 PolarHBondContact O-N 2.91Å
384K91.2Very high90.2Very high152 Ų152107.8 Ų107.866%0.66153%0.534SS*.Hα-helixtrans-68.8-40.9177-156.6177.3-174.9-178.80111.8N380 R381 L382 S387 Q388N380-K384 PolarHBondContact O-N 2.88Å; N380-K384 VanDerWaalsContact O-N 3.12Å; R381-K384 WeakPolarHBondContact O-CB 3.33Å; R381-K384 PolarHBondContact O-N 3.43Å; R381-K384 VanDerWaalsContact O-N 3.14Å; L382-K384 VanDerWaalsContact C-N 3.28Å; L382-K384 PolarHBondContact O-N 3.11Å; K384-S387 PolarHBondContact O-N 3.42Å; K384-Q388 PolarHBondContact O-N 2.86Å
385E91.6Very high90.2Very high102 Ų102109.5 Ų109.548%0.47754%0.539SS..Hα-helixtrans-64.2-42.5174.2-70.9171.5-169.400111.5R381 L382 S387 Q388 M389R381-E385 PolarHBondContact O-N 2.91Å; R381-E385 VanDerWaalsContact O-N 3.08Å; L382-E385 PolarHBondContact O-N 3.37Å; E385-S387 PolarHBondContact O-N 2.73Å; E385-Q388 PolarHBondContact O-N 2.89Å; E385-M389 WeakPolarHBondContact O-CG 3.47Å; E385-M389 PolarHBondContact O-N 2.92Å
386L88.6Confident90.1Very high115 Ų115109.3 Ų109.360%0.60254%0.538SS*.Hα-helixtrans-60.7-42.1173.6-85172.5000112.5L382 N383 Q388 M389 K390L382-L386 PolarHBondContact O-N 2.83Å; N383-L386 PolarHBondContact O-N 3.19Å; L386-Q388 VanDerWaalsContact C-N 3.34Å; L386-Q388 PolarHBondContact O-N 3.11Å; L386-M389 PolarHBondContact O-N 3.35Å; L386-K390 WeakPolarHBondContact O-CB 3.17Å; L386-K390 PolarHBondContact O-N 3.49Å
387S88.9Confident90.1Very high72 Ų72109.6 Ų109.650%0.50354%0.539SS..Hα-helixtrans-63.1-38.3174.6-98.80000112.7N383 K384 E385 K390 N391N383-S387 PolarHBondContact O-N 2.91Å; K384-S387 PolarHBondContact O-N 3.42Å; E385-S387 PolarHBondContact O-N 2.73Å; S387-K390 PolarHBondContact O-N 3.48Å; S387-N391 PolarHBondContact O-N 2.93Å; S387-N391 VanDerWaalsContact O-N 3.13Å
388Q90.4Very high90Very high115 Ų115110.5 Ų110.554%0.53755%0.546SS..Hα-helixtrans-66-46.1175.5-76.5179.3-18.400111.9K384 E385 L386 K390 N391 Q392K384-Q388 PolarHBondContact O-N 2.86Å; E385-Q388 PolarHBondContact O-N 2.89Å; L386-Q388 VanDerWaalsContact C-N 3.34Å; L386-Q388 PolarHBondContact O-N 3.11Å; Q388-K390 VanDerWaalsContact C-N 3.28Å; Q388-K390 PolarHBondContact O-N 2.89Å; Q388-N391 PolarHBondContact O-N 2.91Å; Q388-Q392 WeakPolarHBondContact O-CG 3.31Å; Q388-Q392 PolarHBondContact O-N 3.35Å
389M87.9Confident89.7Confident118 Ų118108.1 Ų108.158%0.58154%0.539SS*.Hα-helixtrans-60.7-39176.2-73.1-60.4-6200111.9E385 L386 Q392 L393E385-M389 WeakPolarHBondContact O-CG 3.47Å; E385-M389 PolarHBondContact O-N 2.92Å; L386-M389 PolarHBondContact O-N 3.35Å; M389-Q392 PolarHBondContact O-N 3.47Å; M389-L393 PolarHBondContact O-N 3.24Å
390K91.3Very high89.4Confident150 Ų150107.3 Ų107.365%0.65254%0.536SS*.Hα-helixtrans-63.1-41.8176.5-167.6174-177.8177.80112.3L386 S387 Q388 L393 T394L386-K390 WeakPolarHBondContact O-CB 3.17Å; L386-K390 PolarHBondContact O-N 3.49Å; S387-K390 PolarHBondContact O-N 3.48Å; Q388-K390 VanDerWaalsContact C-N 3.28Å; Q388-K390 PolarHBondContact O-N 2.89Å; K390-L393 WeakPolarHBondContact O-CB 3.39Å; K390-L393 PolarHBondContact O-N 3.37Å; K390-T394 PolarHBondContact O-N 2.91Å; K390-T394 VanDerWaalsContact O-N 3.1Å; K390-T394 PolarHBondContact O-OG1 2.83Å
391N90.2Very high89.3Confident106 Ų106107.6 Ų107.657%0.56754%0.538SS*.Hα-helixtrans-66.6-40.8176.7-70.4-8.7000112.1S387 Q388 L393 T394 E395S387-N391 PolarHBondContact O-N 2.93Å; S387-N391 VanDerWaalsContact O-N 3.13Å; Q388-N391 PolarHBondContact O-N 2.91Å; N391-L393 VanDerWaalsContact C-N 3.3Å; N391-L393 PolarHBondContact O-N 3.37Å; N391-T394 WeakPolarHBondContact CA-OG1 3.23Å; N391-T394 PolarHBondContact O-N 2.93Å; N391-T394 PolarHBondContact O-OG1 3.48Å; N391-E395 PolarHBondContact O-N 3.49Å
392Q90Very high89Confident105 Ų105102.8 Ų102.849%0.49153%0.531SS..Hα-helixtrans-63.8-36.4175.1-71.5-179.2-0.100112.1Q388 M389 E395 K396Q388-Q392 WeakPolarHBondContact O-CG 3.31Å; Q388-Q392 PolarHBondContact O-N 3.35Å; M389-Q392 PolarHBondContact O-N 3.47Å; Q392-E395 PolarHBondContact O-N 3.02Å; Q392-K396 WeakPolarHBondContact O-CG 3.47Å; Q392-K396 PolarHBondContact O-N 3.15Å
393L88.7Confident88.3Confident111 Ų111103.5 Ų103.558%0.58154%0.535SS*.Hα-helixtrans-63.4-46.4175.3-154.686.2000110.9M389 K390 N391 E395 K396 D397M389-L393 PolarHBondContact O-N 3.24Å; K390-L393 WeakPolarHBondContact O-CB 3.39Å; K390-L393 PolarHBondContact O-N 3.37Å; N391-L393 VanDerWaalsContact C-N 3.3Å; N391-L393 PolarHBondContact O-N 3.37Å; L393-E395 VanDerWaalsContact C-N 3.33Å; L393-E395 PolarHBondContact O-N 3.05Å; L393-K396 PolarHBondContact O-N 3.15Å; L393-D397 PolarHBondContact O-N 3.19Å
394T88.9Confident87.5Confident77 Ų77105.1 Ų105.147%0.47254%0.54SS..Hα-helixtrans-63.6-36.8177.252.80000112.8K390 N391 D397 T398K390-T394 PolarHBondContact O-N 2.91Å; K390-T394 VanDerWaalsContact O-N 3.1Å; K390-T394 PolarHBondContact O-OG1 2.83Å; N391-T394 WeakPolarHBondContact CA-OG1 3.23Å; N391-T394 PolarHBondContact O-N 2.93Å; N391-T394 PolarHBondContact O-OG1 3.48Å; T394-D397 PolarHBondContact O-N 3.37Å; T394-T398 WeakPolarHBondContact O-CG2 3.29Å; T394-T398 PolarHBondContact O-N 3.38Å; T394-T398 PolarHBondContact O-OG1 2.99Å
395E91.2Very high86.6Confident127 Ų127103.1 Ų103.159%0.59354%0.536SS*.Hα-helixtrans-65.1-44.8175.4-170176.6-170.400110.6N391 Q392 L393 D397 T398 T399N391-E395 PolarHBondContact O-N 3.49Å; Q392-E395 PolarHBondContact O-N 3.02Å; L393-E395 VanDerWaalsContact C-N 3.33Å; L393-E395 PolarHBondContact O-N 3.05Å; E395-D397 PolarHBondContact O-N 2.87Å; E395-T398 PolarHBondContact O-N 3.2Å; E395-T398 PolarHBondContact O-OG1 2.77Å; E395-T399 WeakPolarHBondContact O-CG2 3.35Å; E395-T399 PolarHBondContact O-N 3.36Å
396K89.1Confident85.7Confident143 Ų143105.7 Ų105.762%0.62255%0.545SS*.Hα-helixtrans-61.4-42.8175.5-74.3-164.6177.5-174.10112.7Q392 L393 T398 T399 I400Q392-K396 WeakPolarHBondContact O-CG 3.47Å; Q392-K396 PolarHBondContact O-N 3.15Å; L393-K396 PolarHBondContact O-N 3.15Å; K396-T398 VanDerWaalsContact C-N 3.34Å; K396-T398 PolarHBondContact O-N 3.4Å; K396-T399 WeakPolarHBondContact CA-OG1 3.11Å; K396-T399 PolarHBondContact O-N 2.87Å; K396-T399 VanDerWaalsContact O-N 3.13Å; K396-T399 PolarHBondContact O-OG1 3.4Å; K396-I400 WeakPolarHBondContact O-CG1 3.42Å; K396-I400 PolarHBondContact O-N 3.48Å
397D92Very high84.8Confident85 Ų85107 Ų10746%0.45554%0.543SS..Hα-helixtrans-59.8-43.8175.3-76.7-21.3000111.5L393 T394 E395 T399 I400 D401L393-D397 PolarHBondContact O-N 3.19Å; T394-D397 PolarHBondContact O-N 3.37Å; E395-D397 PolarHBondContact O-N 2.87Å; D397-T399 VanDerWaalsContact C-N 3.3Å; D397-T399 PolarHBondContact O-N 2.96Å; D397-I400 PolarHBondContact O-N 3.31Å; D397-I400 VanDerWaalsContact O-N 3.14Å; D397-D401 PolarHBondContact O-N 2.87Å
398T86.9Confident83.7Confident87 Ų87108.9 Ų108.953%0.53455%0.548SS..Hα-helixtrans-64.2-33.1175.760.80000113.2T394 E395 K396 A402T394-T398 WeakPolarHBondContact O-CG2 3.29Å; T394-T398 PolarHBondContact O-N 3.38Å; T394-T398 PolarHBondContact O-OG1 2.99Å; E395-T398 PolarHBondContact O-N 3.2Å; E395-T398 PolarHBondContact O-OG1 2.77Å; K396-T398 VanDerWaalsContact C-N 3.34Å; K396-T398 PolarHBondContact O-N 3.4Å; T398-A402 WeakPolarHBondContact O-CB 3.13Å; T398-A402 PolarHBondContact O-N 3.32Å
399T85.1Confident82.4Confident71 Ų71111.4 Ų111.444%0.43656%0.557SS.*Hα-helixtrans-70.3-36.6173.961.50000112.3E395 K396 D397 A402 L403E395-T399 WeakPolarHBondContact O-CG2 3.35Å; E395-T399 PolarHBondContact O-N 3.36Å; K396-T399 WeakPolarHBondContact CA-OG1 3.11Å; K396-T399 PolarHBondContact O-N 2.87Å; K396-T399 VanDerWaalsContact O-N 3.13Å; K396-T399 PolarHBondContact O-OG1 3.4Å; D397-T399 VanDerWaalsContact C-N 3.3Å; D397-T399 PolarHBondContact O-N 2.96Å; T399-A402 PolarHBondContact O-N 3Å; T399-L403 WeakPolarHBondContact O-CB 3.28Å; T399-L403 VanDerWaalsContact O-CG 3.3Å; T399-L403 WeakPolarHBondContact O-CG 3.35Å; T399-L403 PolarHBondContact O-N 3.12Å
400I84.5Confident81Confident78 Ų78110.2 Ų110.240%0.456%0.561SS.*Hα-helixtrans-64.8-46.9174.8-69.1167.9000109.3K396 D397 A402 L403 H404K396-I400 WeakPolarHBondContact O-CG1 3.42Å; K396-I400 PolarHBondContact O-N 3.48Å; D397-I400 PolarHBondContact O-N 3.31Å; D397-I400 VanDerWaalsContact O-N 3.14Å; I400-A402 VanDerWaalsContact C-N 3.32Å; I400-A402 PolarHBondContact O-N 2.97Å; I400-L403 PolarHBondContact O-N 3.39Å; I400-L403 VanDerWaalsContact O-N 3.12Å; I400-H404 WeakPolarHBondContact O-CB 3.45Å; I400-H404 PolarHBondContact O-CD2 2.94Å; I400-H404 VanDerWaalsContact O-CD2 3.26Å; I400-H404 PolarHBondContact O-N 3.46Å
401D87.8Confident78.9Confident111 Ų111108.2 Ų108.259%0.59455%0.553SS**Hα-helixtrans-59.2-41.9176.5-73.9-22000112.1D397 L403 H404 L405D397-D401 PolarHBondContact O-N 2.87Å; D401-L403 PolarHBondContact O-N 3.19Å; D401-H404 PolarHBondContact O-N 3.12Å; D401-L405 WeakPolarHBondContact O-CB 3.44Å; D401-L405 PolarHBondContact O-N 3.43Å
402A82.3Confident77.2Confident56 Ų56108.4 Ų108.446%0.46356%0.555SS.*Hα-helixtrans-64.8-38.1175.900000112.7T398 T399 I400 K406T398-A402 WeakPolarHBondContact O-CB 3.13Å; T398-A402 PolarHBondContact O-N 3.32Å; T399-A402 PolarHBondContact O-N 3Å; I400-A402 VanDerWaalsContact C-N 3.32Å; I400-A402 PolarHBondContact O-N 2.97Å; A402-K406 PolarHBondContact O-N 2.85Å
403L75.9Confident76.1Confident113 Ų113110.8 Ų110.859%0.59256%0.563SS**Hα-helixtrans-69-42.7174.9-74.4172.6000111.7T399 I400 D401 L405 K406 Y407T399-L403 WeakPolarHBondContact O-CB 3.28Å; T399-L403 VanDerWaalsContact O-CG 3.3Å; T399-L403 WeakPolarHBondContact O-CG 3.35Å; T399-L403 PolarHBondContact O-N 3.12Å; I400-L403 PolarHBondContact O-N 3.39Å; I400-L403 VanDerWaalsContact O-N 3.12Å; D401-L403 PolarHBondContact O-N 3.19Å; L403-L405 VanDerWaalsContact C-N 3.31Å; L403-L405 PolarHBondContact O-N 3.37Å; L403-K406 PolarHBondContact O-N 3.18Å; L403-Y407 WeakPolarHBondContact O-CB 3.17Å; L403-Y407 PolarHBondContact O-N 3.26Å
404H74.8Confident75.2Confident113 Ų113114 Ų11452%0.52357%0.572SS.*Hα-helixtrans-60.5-40.8173.8-87.9-105.7000111.5I400 D401 Y407 N408I400-H404 WeakPolarHBondContact O-CB 3.45Å; I400-H404 PolarHBondContact O-CD2 2.94Å; I400-H404 VanDerWaalsContact O-CD2 3.26Å; I400-H404 PolarHBondContact O-N 3.46Å; D401-H404 PolarHBondContact O-N 3.12Å; H404-Y407 PolarHBondContact O-N 3.34Å; H404-N408 WeakPolarHBondContact O-CB 3.28Å; H404-N408 PolarHBondContact O-N 3.36Å; H404-N408 PolarHBondContact O-ND2 3.49Å
405L73.4Confident74.3Confident110 Ų110115.1 Ų115.158%0.57657%0.572SS**Hα-helixtrans-68-36.8177-160.374.8000112.4D401 L403 K409D401-L405 WeakPolarHBondContact O-CB 3.44Å; D401-L405 PolarHBondContact O-N 3.43Å; L403-L405 VanDerWaalsContact C-N 3.31Å; L403-L405 PolarHBondContact O-N 3.37Å; L405-K409 WeakPolarHBondContact O-CG 3.38Å; L405-K409 PolarHBondContact O-N 3.24Å
406K73.1Confident73.4Confident156 Ų156116 Ų11668%0.67857%0.571SS**Hα-helixtrans-66.9-43.5171.8-89.5-174.8175.5-179.10112.1A402 L403 K409 S410A402-K406 PolarHBondContact O-N 2.85Å; L403-K406 PolarHBondContact O-N 3.18Å; K406-K409 PolarHBondContact O-N 2.79Å; K406-S410 PolarHBondContact O-N 2.93Å
407Y68.3Low72.9Confident142 Ų142113.2 Ų113.256%0.55756%0.563SS**Hα-helixtrans-61.5-45.5178.6-177.5-97.8000111.4L403 H404 K409 S410 Q411L403-Y407 WeakPolarHBondContact O-CB 3.17Å; L403-Y407 PolarHBondContact O-N 3.26Å; H404-Y407 PolarHBondContact O-N 3.34Å; Y407-K409 VanDerWaalsContact C-N 3.27Å; Y407-K409 PolarHBondContact O-N 3.29Å; Y407-S410 PolarHBondContact O-N 2.89Å; Y407-Q411 HydrophobicContact CE1-CG 4.06Å; Y407-Q411 PolarHBondContact O-N 2.89Å; Y407-Q411 PolarHBondContact OH-NE2 3.23Å
408N66.2Low72.4Confident112 Ų112113 Ų11360%0.59956%0.562SS**Hα-helixtrans-65.4-27.4176.3-75.1-28.5000113.4H404H404-N408 WeakPolarHBondContact O-CB 3.28Å; H404-N408 PolarHBondContact O-N 3.36Å; H404-N408 PolarHBondContact O-ND2 3.49Å
409K63.2Low72Confident168 Ų168112.8 Ų112.873%0.7356%0.555SS**Hα-helixtrans-79-23.8171.7-76.3-177178-1770113.5L405 K406 Y407L405-K409 WeakPolarHBondContact O-CG 3.38Å; L405-K409 PolarHBondContact O-N 3.24Å; K406-K409 PolarHBondContact O-N 2.79Å; Y407-K409 VanDerWaalsContact C-N 3.27Å; Y407-K409 PolarHBondContact O-N 3.29Å
410S58.2Low71.9Confident94 Ų94114.9 Ų114.966%0.65756%0.558SS**Hα-helixtrans-92.2-14.4-179.1-169.50000113.9K406 Y407 D412K406-S410 PolarHBondContact O-N 2.93Å; Y407-S410 PolarHBondContact O-N 2.89Å; S410-D412 PolarHBondContact O-N 3.14Å
411Q48.4Very low72.1Confident107 Ų107115.7 Ų115.750%0.556%0.56SS.*  trans-70.579.4166-85.7-85.8-11.600108.7Y407 K413Y407-Q411 HydrophobicContact CE1-CG 4.06Å; Y407-Q411 PolarHBondContact O-N 2.89Å; Y407-Q411 PolarHBondContact OH-NE2 3.23Å; Q411-K413 PolarHBondContact O-N 3Å
412D53.1Low72.1Confident111 Ų111115.6 Ų115.659%0.59456%0.556SS**  trans-64.775.9166.4-99.4-34000108.7S410 K414 Q415 Y416S410-D412 PolarHBondContact O-N 3.14Å; D412-K414 PolarHBondContact O-N 3.15Å; D412-Q415 HydrophobicContact CB-CB 4.03Å; D412-Q415 PolarHBondContact O-N 2.85Å; D412-Y416 PolarHBondContact O-N 2.97Å
413K66.6Low72.4Confident155 Ų155119.1 Ų119.167%0.67456%0.561SS**Hα-helixtrans-51.4-22.5174.3-163.5172.5-175175.50112Q411 N417Q411-K413 PolarHBondContact O-N 3Å; K413-N417 VanDerWaalsContact O-CB 3.32Å; K413-N417 WeakPolarHBondContact O-CB 3.19Å; K413-N417 PolarHBondContact O-N 3.46Å; K413-N417 PolarHBondContact O-ND2 3.44Å; K413-N417 VanDerWaalsContact O-ND2 3.15Å
414K70Confident73.2Confident177 Ų177119 Ų11977%0.7756%0.557SS**Hα-helixtrans-69.2-43.1172-72.9-174.6175.9-177.90113.2D412 N417 L418D412-K414 PolarHBondContact O-N 3.15Å; K414-N417 PolarHBondContact O-N 3.07Å; K414-L418 WeakPolarHBondContact O-CB 3.4Å; K414-L418 PolarHBondContact O-N 2.98Å
415Q71.5Confident74Confident101 Ų101119.6 Ų119.647%0.47256%0.558SS.*Hα-helixtrans-68.7-45-179.5-17263.318.700110.9D412 N417 L418 E419D412-Q415 HydrophobicContact CB-CB 4.03Å; D412-Q415 PolarHBondContact O-N 2.85Å; Q415-N417 VanDerWaalsContact C-N 3.34Å; Q415-N417 PolarHBondContact O-N 3.49Å; Q415-L418 WeakPolarHBondContact O-CB 3.32Å; Q415-L418 PolarHBondContact O-N 3.39Å; Q415-L418 VanDerWaalsContact O-N 3.14Å; Q415-E419 PolarHBondContact NE2-OE1 3.22Å; Q415-E419 PolarHBondContact O-N 3.47Å
416Y72.2Confident74.8Confident146 Ų146120.1 Ų120.157%0.57356%0.558SS**Hα-helixtrans-60-42.4174.9177-99000112.5D412 L418 E419 K420D412-Y416 PolarHBondContact O-N 2.97Å; Y416-L418 VanDerWaalsContact C-N 3.31Å; Y416-L418 PolarHBondContact O-N 3.5Å; Y416-E419 PolarHBondContact O-N 2.83Å; Y416-K420 WeakPolarHBondContact O-CB 3.48Å; Y416-K420 PolarHBondContact O-N 2.92Å
417N77.6Confident75.4Confident84 Ų84117 Ų11745%0.44955%0.548SS..Hα-helixtrans-65.8-35176.8-75.5-16.7000112.2K413 K414 Q415 E421K413-N417 VanDerWaalsContact O-CB 3.32Å; K413-N417 WeakPolarHBondContact O-CB 3.19Å; K413-N417 PolarHBondContact O-N 3.46Å; K413-N417 PolarHBondContact O-ND2 3.44Å; K413-N417 VanDerWaalsContact O-ND2 3.15Å; K414-N417 PolarHBondContact O-N 3.07Å; Q415-N417 VanDerWaalsContact C-N 3.34Å; Q415-N417 PolarHBondContact O-N 3.49Å; N417-E421 WeakPolarHBondContact O-CB 3.41Å; N417-E421 PolarHBondContact O-N 2.88Å
418L81.3Confident76.6Confident81 Ų81114.1 Ų114.142%0.42454%0.542SS..Hα-helixtrans-68.3-43.9177.2-172.566.9000111.6K414 Q415 Y416 E421 Q422K414-L418 WeakPolarHBondContact O-CB 3.4Å; K414-L418 PolarHBondContact O-N 2.98Å; Q415-L418 WeakPolarHBondContact O-CB 3.32Å; Q415-L418 PolarHBondContact O-N 3.39Å; Q415-L418 VanDerWaalsContact O-N 3.14Å; Y416-L418 VanDerWaalsContact C-N 3.31Å; Y416-L418 PolarHBondContact O-N 3.5Å; L418-E421 PolarHBondContact O-N 3.46Å; L418-Q422 WeakPolarHBondContact O-CG 3.37Å; L418-Q422 PolarHBondContact O-N 3.24Å
419E78Confident77.8Confident83 Ų83111.3 Ų111.339%0.38853%0.531SS..Hα-helixtrans-63.3-43.7174.8-76.2171.7-164.500111.3Q415 Y416 E421 Q422 F423Q415-E419 PolarHBondContact NE2-OE1 3.22Å; Q415-E419 PolarHBondContact O-N 3.47Å; Y416-E419 PolarHBondContact O-N 2.83Å; E419-E421 VanDerWaalsContact C-N 3.32Å; E419-E421 PolarHBondContact O-N 3.44Å; E419-Q422 WeakPolarHBondContact O-CB 3.26Å; E419-Q422 PolarHBondContact O-N 3.5Å; E419-Q422 VanDerWaalsContact O-N 3.16Å; E419-F423 HydrophobicContact CB-CE2 4.36Å; E419-F423 WeakPolarHBondContact O-CD2 3.45Å; E419-F423 PolarHBondContact O-N 2.99Å
420K83.7Confident79Confident115 Ų115108.5 Ų108.550%0.552%0.523SS..Hα-helixtrans-58.2-44174.8-173.5-174.6173.5-168.30111.9Y416 Q422 F423 E424Y416-K420 WeakPolarHBondContact O-CB 3.48Å; Y416-K420 PolarHBondContact O-N 2.92Å; K420-Q422 VanDerWaalsContact C-N 3.31Å; K420-Q422 PolarHBondContact O-N 3.49Å; K420-F423 PolarHBondContact O-N 2.99Å; K420-E424 WeakPolarHBondContact O-CB 3.33Å; K420-E424 PolarHBondContact O-N 3.08Å
421E89.2Confident80.7Confident95 Ų95111.4 Ų111.444%0.44452%0.52SS..Hα-helixtrans-66.2-33.4178.4-163.6-170.9149.700112.1N417 L418 E419 K425N417-E421 WeakPolarHBondContact O-CB 3.41Å; N417-E421 PolarHBondContact O-N 2.88Å; L418-E421 PolarHBondContact O-N 3.46Å; E419-E421 VanDerWaalsContact C-N 3.32Å; E419-E421 PolarHBondContact O-N 3.44Å; E421-K425 WeakPolarHBondContact O-CG 3.42Å; E421-K425 PolarHBondContact O-N 2.9Å; E421-K425 VanDerWaalsContact O-N 3.14Å; E421-K425 WeakPolarHBondContact OE1-CE 3.48Å; E421-K425 IonicContact OE1-NZ 3.62Å; E421-K425 PolarHBondContact OE1-NZ 3.41Å
422Q87Confident82.9Confident109 Ų109113 Ų11351%0.50953%0.527SS..Hα-helixtrans-67.2-47.1173.4-73.4175.1-8.300111.6L418 E419 K420 E424 K425 E426L418-Q422 WeakPolarHBondContact O-CG 3.37Å; L418-Q422 PolarHBondContact O-N 3.24Å; E419-Q422 WeakPolarHBondContact O-CB 3.26Å; E419-Q422 PolarHBondContact O-N 3.5Å; E419-Q422 VanDerWaalsContact O-N 3.16Å; K420-Q422 VanDerWaalsContact C-N 3.31Å; K420-Q422 PolarHBondContact O-N 3.49Å; Q422-E424 VanDerWaalsContact C-N 3.3Å; Q422-E424 PolarHBondContact O-N 2.78Å; Q422-K425 PolarHBondContact O-N 3.14Å; Q422-E426 PolarHBondContact O-N 3.41Å
423F88.8Confident84.8Confident130 Ų130114.6 Ų114.657%0.5753%0.529SS*.Hα-helixtrans-61.8-38.2176.2-72.7-58.2000112.4E419 K420 E426 L427E419-F423 HydrophobicContact CB-CE2 4.36Å; E419-F423 WeakPolarHBondContact O-CD2 3.45Å; E419-F423 PolarHBondContact O-N 2.99Å; K420-F423 PolarHBondContact O-N 2.99Å; F423-E426 PolarHBondContact O-N 3.38Å; F423-L427 WeakPolarHBondContact O-CB 3.26Å; F423-L427 PolarHBondContact O-N 2.88Å
424E92.5Very high86Confident111 Ų111114.2 Ų114.252%0.51952%0.524SS..Hα-helixtrans-65.7-39.5178-162.8158.2-162.100111.5K420 Q422 L427 D428K420-E424 WeakPolarHBondContact O-CB 3.33Å; K420-E424 PolarHBondContact O-N 3.08Å; Q422-E424 VanDerWaalsContact C-N 3.3Å; Q422-E424 PolarHBondContact O-N 2.78Å; E424-L427 PolarHBondContact O-N 2.95Å; E424-D428 PolarHBondContact O-N 3.23Å
425K92.2Very high87.1Confident125 Ų125112.4 Ų112.454%0.54352%0.516SS..Hα-helixtrans-65.6-39.7173-73.2171.2-173.9165.30113E421 Q422 D428 S429E421-K425 WeakPolarHBondContact O-CG 3.42Å; E421-K425 PolarHBondContact O-N 2.9Å; E421-K425 VanDerWaalsContact O-N 3.14Å; E421-K425 WeakPolarHBondContact OE1-CE 3.48Å; E421-K425 IonicContact OE1-NZ 3.62Å; E421-K425 PolarHBondContact OE1-NZ 3.41Å; Q422-K425 PolarHBondContact O-N 3.14Å; K425-D428 PolarHBondContact O-N 3.26Å; K425-S429 WeakPolarHBondContact O-CB 3.33Å; K425-S429 PolarHBondContact O-N 3.16Å
426E89.2Confident88.1Confident120 Ų120111.7 Ų111.756%0.56152%0.519SS*.Hα-helixtrans-65.4-41.9174.7-74.7-174.8172.900111.7Q422 F423 D428 S429 I430Q422-E426 PolarHBondContact O-N 3.41Å; F423-E426 PolarHBondContact O-N 3.38Å; E426-D428 PolarHBondContact O-N 2.9Å; E426-S429 WeakPolarHBondContact O-CB 3.3Å; E426-S429 PolarHBondContact O-N 3.45Å; E426-I430 WeakPolarHBondContact O-CG1 3.39Å; E426-I430 PolarHBondContact O-N 3.02Å
427L86.5Confident88.8Confident90 Ų90107.5 Ų107.547%0.47151%0.511SS..Hα-helixtrans-60.7-43.6175.6-115.1154.4000112F423 E424 I430 R431F423-L427 WeakPolarHBondContact O-CB 3.26Å; F423-L427 PolarHBondContact O-N 2.88Å; E424-L427 PolarHBondContact O-N 2.95Å; L427-I430 PolarHBondContact O-N 2.83Å; L427-R431 WeakPolarHBondContact O-CB 3.37Å; L427-R431 VanDerWaalsContact O-CG 3.27Å; L427-R431 WeakPolarHBondContact O-CG 3.48Å; L427-R431 PolarHBondContact O-N 2.88Å
428D92.4Very high89.4Confident83 Ų83108.3 Ų108.344%0.44451%0.512SS..Hα-helixtrans-67.4-37176.3-76.2-19.4000112.1E424 K425 E426 R431 Q432E424-D428 PolarHBondContact O-N 3.23Å; K425-D428 PolarHBondContact O-N 3.26Å; E426-D428 PolarHBondContact O-N 2.9Å; D428-R431 PolarHBondContact O-N 2.93Å; D428-R431 IonicContact OD1-NH1 3.17Å; D428-Q432 WeakPolarHBondContact O-CB 3.41Å; D428-Q432 PolarHBondContact O-N 2.89Å
429S91.7Very high90Very high52 Ų52110 Ų11036%0.36452%0.521SS..Hα-helixtrans-61.7-43.7172.6-171.30000111.9K425 E426 Q432 K433K425-S429 WeakPolarHBondContact O-CB 3.33Å; K425-S429 PolarHBondContact O-N 3.16Å; E426-S429 WeakPolarHBondContact O-CB 3.3Å; E426-S429 PolarHBondContact O-N 3.45Å; S429-Q432 PolarHBondContact O-N 3.49Å; S429-K433 WeakPolarHBondContact O-CG 3.36Å; S429-K433 PolarHBondContact O-N 3.3Å
430I89.6Confident90.7Very high109 Ų109111.5 Ų111.556%0.55953%0.528SS*.Hα-helixtrans-65.4-44.6176.9-68.1166.6000110.6E426 L427 Q432 K433 Y434E426-I430 WeakPolarHBondContact O-CG1 3.39Å; E426-I430 PolarHBondContact O-N 3.02Å; L427-I430 PolarHBondContact O-N 2.83Å; I430-Q432 VanDerWaalsContact C-N 3.31Å; I430-Q432 PolarHBondContact O-N 3.42Å; I430-K433 PolarHBondContact O-N 2.95Å; I430-Y434 WeakPolarHBondContact O-CB 3.44Å; I430-Y434 PolarHBondContact O-N 2.86Å
431R93.9Very high91Very high155 Ų155110.5 Ų110.559%0.58553%0.528SS*.Hα-helixtrans-60.1-40.7175.7-75.2169.8174.8177.6-1.9111.9L427 D428 Y434 K435L427-R431 WeakPolarHBondContact O-CB 3.37Å; L427-R431 VanDerWaalsContact O-CG 3.27Å; L427-R431 WeakPolarHBondContact O-CG 3.48Å; L427-R431 PolarHBondContact O-N 2.88Å; D428-R431 PolarHBondContact O-N 2.93Å; D428-R431 IonicContact OD1-NH1 3.17Å; R431-Y434 PolarHBondContact O-N 3.38Å; R431-K435 WeakPolarHBondContact O-CB 3.46Å; R431-K435 PolarHBondContact O-N 3.42Å
432Q94.1Very high91.1Very high142 Ų142112.1 Ų112.166%0.66454%0.535SS*.Hα-helixtrans-66.1-43.6177.1-167.3173.413.900111.5D428 S429 I430 K435 T436D428-Q432 WeakPolarHBondContact O-CB 3.41Å; D428-Q432 PolarHBondContact O-N 2.89Å; S429-Q432 PolarHBondContact O-N 3.49Å; I430-Q432 VanDerWaalsContact C-N 3.31Å; I430-Q432 PolarHBondContact O-N 3.42Å; Q432-K435 PolarHBondContact O-N 2.83Å; Q432-T436 PolarHBondContact O-N 2.89Å; Q432-T436 PolarHBondContact O-OG1 3.49Å
433K93.1Very high91.4Very high143 Ų143109.6 Ų109.662%0.62253%0.53SS*.Hα-helixtrans-61-44.2174.4-74.7178.2-177.61800112.3S429 I430 T436 S437S429-K433 WeakPolarHBondContact O-CG 3.36Å; S429-K433 PolarHBondContact O-N 3.3Å; I430-K433 PolarHBondContact O-N 2.95Å; K433-T436 VanDerWaalsContact C-OG1 3.3Å; K433-T436 VanDerWaalsContact CA-OG1 3.27Å; K433-T436 WeakPolarHBondContact CA-OG1 3.25Å; K433-T436 PolarHBondContact O-N 3.31Å; K433-T436 PolarHBondContact O-OG1 2.85Å; K433-S437 PolarHBondContact O-N 3.15Å
434Y90.6Very high91.4Very high147 Ų147107 Ų10758%0.57652%0.522SS*.Hα-helixtrans-61.2-46.4176.2-178.1-95.7000111I430 R431 T436 S437 E438I430-Y434 WeakPolarHBondContact O-CB 3.44Å; I430-Y434 PolarHBondContact O-N 2.86Å; R431-Y434 PolarHBondContact O-N 3.38Å; Y434-T436 PolarHBondContact O-N 3.5Å; Y434-S437 WeakPolarHBondContact O-CB 3.36Å; Y434-S437 PolarHBondContact O-N 3.01Å; Y434-E438 HydrophobicContact CD1-CG 4.26Å; Y434-E438 HydrophobicContact CE1-CG 3.73Å; Y434-E438 WeakPolarHBondContact CE1-OE1 3.48Å; Y434-E438 PolarHBondContact O-N 3.26Å; Y434-E438 PolarHBondContact OH-OE1 3.38Å
435K95.2Very high91.4Very high140 Ų140105.9 Ų105.961%0.60952%0.516SS*.Hα-helixtrans-61.2-39.8176.5-171.9165.5-174.8171.30113.1R431 Q432 S437 L439R431-K435 WeakPolarHBondContact O-CB 3.46Å; R431-K435 PolarHBondContact O-N 3.42Å; Q432-K435 PolarHBondContact O-N 2.83Å; K435-S437 VanDerWaalsContact C-N 3.34Å; K435-L439 WeakPolarHBondContact O-CG 3.3Å; K435-L439 PolarHBondContact O-N 3.15Å; K435-L439 VanDerWaalsContact O-N 3.15Å
436T91.4Very high91.4Very high85 Ų85104.6 Ų104.652%0.52152%0.515SS..Hα-helixtrans-66.3-35.8172.938.60000112.6Q432 K433 Y434 H440Q432-T436 PolarHBondContact O-N 2.89Å; Q432-T436 PolarHBondContact O-OG1 3.49Å; K433-T436 VanDerWaalsContact C-OG1 3.3Å; K433-T436 VanDerWaalsContact CA-OG1 3.27Å; K433-T436 WeakPolarHBondContact CA-OG1 3.25Å; K433-T436 PolarHBondContact O-N 3.31Å; K433-T436 PolarHBondContact O-OG1 2.85Å; Y434-T436 PolarHBondContact O-N 3.5Å; T436-H440 WeakPolarHBondContact O-CB 3.47Å; T436-H440 PolarHBondContact O-N 3.1Å
437S87.1Confident91.6Very high59 Ų59104 Ų10441%0.41351%0.512SS..Hα-helixtrans-70.8-38.4176.9-171.90000112.1K433 Y434 K435 H440 N441K433-S437 PolarHBondContact O-N 3.15Å; Y434-S437 WeakPolarHBondContact O-CB 3.36Å; Y434-S437 PolarHBondContact O-N 3.01Å; K435-S437 VanDerWaalsContact C-N 3.34Å; S437-H440 PolarHBondContact O-N 3.08Å; S437-N441 PolarHBondContact O-N 3.1Å; S437-N441 PolarHBondContact O-ND2 2.94Å
438E89.9Confident91.7Very high100 Ų100103.5 Ų103.547%0.46751%0.51SS..Hα-helixtrans-60.2-45.8172.3-80.7-173.2147.700111.8Y434 H440 N441 H442Y434-E438 HydrophobicContact CD1-CG 4.26Å; Y434-E438 HydrophobicContact CE1-CG 3.73Å; Y434-E438 WeakPolarHBondContact CE1-OE1 3.48Å; Y434-E438 PolarHBondContact O-N 3.26Å; Y434-E438 PolarHBondContact OH-OE1 3.38Å; E438-H440 VanDerWaalsContact C-N 3.31Å; E438-H440 PolarHBondContact O-N 2.95Å; E438-N441 PolarHBondContact O-N 3.4Å; E438-H442 PolarHBondContact O-N 2.94Å
439L93.7Very high91.8Very high118 Ų118102.8 Ų102.862%0.61851%0.506SS*.Hα-helixtrans-62.3-39.1176-72.3171.7000112.2K435 H442 S443K435-L439 WeakPolarHBondContact O-CG 3.3Å; K435-L439 PolarHBondContact O-N 3.15Å; K435-L439 VanDerWaalsContact O-N 3.15Å; L439-H442 PolarHBondContact O-N 3.15Å; L439-S443 PolarHBondContact O-N 3.33Å
440H93.5Very high91.9Very high113 Ų113106.3 Ų106.352%0.52352%0.515SS..Hα-helixtrans-65.7-43176.1-176.354.4000112.2T436 S437 E438 H442 S443 L444T436-H440 WeakPolarHBondContact O-CB 3.47Å; T436-H440 PolarHBondContact O-N 3.1Å; S437-H440 PolarHBondContact O-N 3.08Å; E438-H440 VanDerWaalsContact C-N 3.31Å; E438-H440 PolarHBondContact O-N 2.95Å; H440-H442 VanDerWaalsContact C-N 3.32Å; H440-H442 PolarHBondContact O-N 3.26Å; H440-S443 WeakPolarHBondContact O-CB 3.37Å; H440-S443 PolarHBondContact O-N 3.28Å; H440-L444 WeakPolarHBondContact O-CG 3.41Å; H440-L444 PolarHBondContact O-N 2.98Å
441N89Confident92Very high94 Ų94105.6 Ų105.650%0.50351%0.511SS..Hα-helixtrans-63.2-37.9174.9-78.9-67.3000112S437 E438 L444 Q445S437-N441 PolarHBondContact O-N 3.1Å; S437-N441 PolarHBondContact O-ND2 2.94Å; E438-N441 PolarHBondContact O-N 3.4Å; N441-L444 PolarHBondContact O-N 3.15Å; N441-Q445 WeakPolarHBondContact O-CB 3.45Å; N441-Q445 PolarHBondContact O-N 3.33Å
442H92.7Very high92Very high130 Ų130103.3 Ų103.360%0.60251%0.505SS*.Hα-helixtrans-64-43.9175.1-137.863.7000111.5E438 L439 H440 L444 Q445 D446E438-H442 PolarHBondContact O-N 2.94Å; L439-H442 PolarHBondContact O-N 3.15Å; H440-H442 VanDerWaalsContact C-N 3.32Å; H440-H442 PolarHBondContact O-N 3.26Å; H442-L444 PolarHBondContact O-N 2.96Å; H442-Q445 WeakPolarHBondContact O-CB 3.39Å; H442-Q445 PolarHBondContact O-N 3.17Å; H442-D446 PolarHBondContact O-N 3.27Å
443S92.5Very high92Very high56 Ų56101 Ų10139%0.39250%0.497SS..Hα-helixtrans-60.7-41.9174.9-170.30000112.6L439 H440 Q445 D446 E447L439-S443 PolarHBondContact O-N 3.33Å; H440-S443 WeakPolarHBondContact O-CB 3.37Å; H440-S443 PolarHBondContact O-N 3.28Å; S443-Q445 VanDerWaalsContact C-N 3.33Å; S443-D446 PolarHBondContact O-N 3.19Å; S443-E447 WeakPolarHBondContact O-CG 3.37Å; S443-E447 PolarHBondContact O-N 3.47Å
444L89.1Confident92Very high76 Ų7697.3 Ų97.340%0.39848%0.484SS..Hα-helixtrans-66.7-34.9176.2-73.9173.5000112.2H440 N441 H442 E447 L448H440-L444 WeakPolarHBondContact O-CG 3.41Å; H440-L444 PolarHBondContact O-N 2.98Å; N441-L444 PolarHBondContact O-N 3.15Å; H442-L444 PolarHBondContact O-N 2.96Å; L444-E447 PolarHBondContact O-N 3.46Å; L444-L448 WeakPolarHBondContact O-CB 3.37Å; L444-L448 PolarHBondContact O-N 2.97Å
445Q91.1Very high91.8Very high86 Ų8694.7 Ų94.740%0.40248%0.48SS..Hα-helixtrans-66.3-43.4175.5-175.459.439.500111.4N441 H442 S443 E447 L448 D449N441-Q445 WeakPolarHBondContact O-CB 3.45Å; N441-Q445 PolarHBondContact O-N 3.33Å; H442-Q445 WeakPolarHBondContact O-CB 3.39Å; H442-Q445 PolarHBondContact O-N 3.17Å; S443-Q445 VanDerWaalsContact C-N 3.33Å; Q445-E447 PolarHBondContact O-N 2.72Å; Q445-L448 WeakPolarHBondContact O-CB 3.28Å; Q445-L448 PolarHBondContact O-N 2.58Å; Q445-D449 PolarHBondContact NE2-OD1 3.47Å; Q445-D449 PolarHBondContact NE2-OD2 3.33Å; Q445-D449 PolarHBondContact O-N 3.42Å
446D94.1Very high91.7Very high99 Ų9993.9 Ų93.953%0.52948%0.478SS..Hα-helixtrans-62.4-42175.5-70-21.3000111.7H442 S443 D449 K450H442-D446 PolarHBondContact O-N 3.27Å; S443-D446 PolarHBondContact O-N 3.19Å; D446-D449 PolarHBondContact O-N 2.88Å; D446-K450 WeakPolarHBondContact O-CB 3.4Å; D446-K450 PolarHBondContact O-N 2.88Å
447E91.6Very high91.7Very high107 Ų10794.9 Ų94.950%0.548%0.475SS..Hα-helixtrans-63.2-42.4174.1-76.4-179.9-163.900112.1S443 L444 Q445 K450 I451S443-E447 WeakPolarHBondContact O-CG 3.37Å; S443-E447 PolarHBondContact O-N 3.47Å; L444-E447 PolarHBondContact O-N 3.46Å; Q445-E447 PolarHBondContact O-N 2.72Å; E447-K450 PolarHBondContact O-N 3.45Å; E447-I451 VanDerWaalsContact O-CG1 3.29Å; E447-I451 WeakPolarHBondContact O-CG1 3.42Å; E447-I451 PolarHBondContact O-N 3.39Å
448L89.5Confident91.9Very high79 Ų7997.2 Ų97.241%0.41448%0.482SS..Hα-helixtrans-62.5-43.5177.2178.862.9000111.3L444 Q445 I451 K452L444-L448 WeakPolarHBondContact O-CB 3.37Å; L444-L448 PolarHBondContact O-N 2.97Å; Q445-L448 WeakPolarHBondContact O-CB 3.28Å; Q445-L448 PolarHBondContact O-N 2.58Å; L448-I451 PolarHBondContact O-N 2.88Å; L448-K452 WeakPolarHBondContact O-CG 3.2Å; L448-K452 PolarHBondContact O-N 3.31Å
449D94Very high91.9Very high69 Ų6998 Ų9837%0.36949%0.49SS..Hα-helixtrans-71.6-32.9179.6-68.1-26.7000111.8Q445 D446 K452 L453Q445-D449 PolarHBondContact NE2-OD1 3.47Å; Q445-D449 PolarHBondContact NE2-OD2 3.33Å; Q445-D449 PolarHBondContact O-N 3.42Å; D446-D449 PolarHBondContact O-N 2.88Å; D449-K452 PolarHBondContact O-N 3.49Å; D449-K452 IonicContact OD1-NZ 3.81Å; D449-K452 PolarHBondContact OD1-NZ 2.72Å; D449-L453 WeakPolarHBondContact O-CB 3.18Å; D449-L453 PolarHBondContact O-N 3Å
450K94.5Very high91.9Very high126 Ų12698.2 Ų98.255%0.54849%0.487SS..Hα-helixtrans-61.8-46.4168.3-174.8-178.1178.5-60.90111.9D446 E447 K452 L453 D454D446-K450 WeakPolarHBondContact O-CB 3.4Å; D446-K450 PolarHBondContact O-N 2.88Å; E447-K450 PolarHBondContact O-N 3.45Å; K450-K452 VanDerWaalsContact C-N 3.34Å; K450-K452 PolarHBondContact O-N 2.85Å; K450-L453 PolarHBondContact O-N 3.04Å; K450-D454 IonicContact NZ-OD2 3.87Å; K450-D454 PolarHBondContact NZ-OD2 3.47Å; K450-D454 PolarHBondContact O-N 3.22Å
451I92.2Very high91.7Very high93 Ų9396.8 Ų96.848%0.47748%0.483SS..Hα-helixtrans-63.8-40177.9-70.2166.8000110.9E447 L448 L453 D454 N455E447-I451 VanDerWaalsContact O-CG1 3.29Å; E447-I451 WeakPolarHBondContact O-CG1 3.42Å; E447-I451 PolarHBondContact O-N 3.39Å; L448-I451 PolarHBondContact O-N 2.88Å; I451-L453 VanDerWaalsContact C-N 3.35Å; I451-L453 PolarHBondContact O-N 3.24Å; I451-D454 PolarHBondContact O-N 2.93Å; I451-N455 WeakPolarHBondContact O-CB 3.46Å; I451-N455 PolarHBondContact O-N 2.92Å; I451-N455 PolarHBondContact O-ND2 3.43Å
452K93.6Very high91.6Very high108 Ų10896.5 Ų96.547%0.4749%0.485SS..Hα-helixtrans-61-43.3174.2-73.8174-167.2153.80111.8L448 D449 K450 N455 H456L448-K452 WeakPolarHBondContact O-CG 3.2Å; L448-K452 PolarHBondContact O-N 3.31Å; D449-K452 PolarHBondContact O-N 3.49Å; D449-K452 IonicContact OD1-NZ 3.81Å; D449-K452 PolarHBondContact OD1-NZ 2.72Å; K450-K452 VanDerWaalsContact C-N 3.34Å; K450-K452 PolarHBondContact O-N 2.85Å; K452-N455 PolarHBondContact O-N 2.93Å; K452-H456 PolarHBondContact O-N 2.96Å
453L93.6Very high91.5Very high94 Ų9496.9 Ų96.949%0.49249%0.487SS..Hα-helixtrans-63.9-43.2177.3-175.266.2000111.6D449 K450 I451 H456 K457D449-L453 WeakPolarHBondContact O-CB 3.18Å; D449-L453 PolarHBondContact O-N 3Å; K450-L453 PolarHBondContact O-N 3.04Å; I451-L453 VanDerWaalsContact C-N 3.35Å; I451-L453 PolarHBondContact O-N 3.24Å; L453-H456 PolarHBondContact O-N 2.99Å; L453-K457 WeakPolarHBondContact O-CG 3.4Å; L453-K457 PolarHBondContact O-N 3.14Å
454D92.3Very high91.4Very high65 Ų6596.9 Ų96.935%0.34849%0.487SS..Hα-helixtrans-65.9-39177.8-70.3-20.8000111.3K450 I451 K457 L458K450-D454 IonicContact NZ-OD2 3.87Å; K450-D454 PolarHBondContact NZ-OD2 3.47Å; K450-D454 PolarHBondContact O-N 3.22Å; I451-D454 PolarHBondContact O-N 2.93Å; D454-K457 PolarHBondContact O-N 3.47Å; D454-L458 WeakPolarHBondContact O-CB 3.47Å; D454-L458 PolarHBondContact O-N 3.18Å
455N87.8Confident91.5Very high91 Ų91100 Ų10049%0.48750%0.497SS..Hα-helixtrans-64.6-39172.6-80.4-26000112.6I451 K452 L458 L459I451-N455 WeakPolarHBondContact O-CB 3.46Å; I451-N455 PolarHBondContact O-N 2.92Å; I451-N455 PolarHBondContact O-ND2 3.43Å; K452-N455 PolarHBondContact O-N 2.93Å; N455-L458 PolarHBondContact O-N 3.48Å; N455-L459 WeakPolarHBondContact O-CG 3.38Å; N455-L459 PolarHBondContact O-N 2.93Å
456H91.6Very high91.5Very high124 Ų12498.8 Ų98.857%0.57450%0.498SS*.Hα-helixtrans-64.1-42.8176.9-172.163.7000111.6K452 L453 L458 L459 Q460K452-H456 PolarHBondContact O-N 2.96Å; L453-H456 PolarHBondContact O-N 2.99Å; H456-L458 VanDerWaalsContact C-N 3.35Å; H456-L458 PolarHBondContact O-N 3.08Å; H456-L459 PolarHBondContact O-N 3.38Å; H456-Q460 PolarHBondContact O-N 2.75Å
457K92.8Very high91.3Very high106 Ų10696.8 Ų96.846%0.46149%0.492SS..Hα-helixtrans-60.7-43.7172.6-70.5173.7-177.11700111.8L453 D454 L459 Q460 D461L453-K457 WeakPolarHBondContact O-CG 3.4Å; L453-K457 PolarHBondContact O-N 3.14Å; D454-K457 PolarHBondContact O-N 3.47Å; K457-L459 VanDerWaalsContact C-N 3.32Å; K457-L459 PolarHBondContact O-N 2.86Å; K457-Q460 PolarHBondContact O-N 3.23Å; K457-D461 PolarHBondContact O-N 3.35Å
458L89.8Confident91.2Very high107 Ų10796.2 Ų96.256%0.5649%0.492SS*.Hα-helixtrans-63.8-37.9178.9-161.575000112D454 N455 H456 D461 V462D454-L458 WeakPolarHBondContact O-CB 3.47Å; D454-L458 PolarHBondContact O-N 3.18Å; N455-L458 PolarHBondContact O-N 3.48Å; H456-L458 VanDerWaalsContact C-N 3.35Å; H456-L458 PolarHBondContact O-N 3.08Å; L458-D461 PolarHBondContact O-N 2.7Å; L458-V462 VanDerWaalsContact O-CG2 3.28Å; L458-V462 WeakPolarHBondContact O-CG2 3.46Å; L458-V462 PolarHBondContact O-N 3.34Å
459L91.6Very high91.2Very high118 Ų11896.9 Ų96.962%0.61849%0.493SS*.Hα-helixtrans-64.3-42.7174.3-74.9169000111.8N455 H456 K457 D461 V462 E463N455-L459 WeakPolarHBondContact O-CG 3.38Å; N455-L459 PolarHBondContact O-N 2.93Å; H456-L459 PolarHBondContact O-N 3.38Å; K457-L459 VanDerWaalsContact C-N 3.32Å; K457-L459 PolarHBondContact O-N 2.86Å; L459-D461 VanDerWaalsContact C-N 3.34Å; L459-D461 PolarHBondContact O-N 3.46Å; L459-V462 PolarHBondContact O-N 3.12Å; L459-E463 PolarHBondContact O-N 2.81Å
460Q92.2Very high91Very high122 Ų12296.8 Ų96.857%0.5750%0.495SS*.Hα-helixtrans-63.2-39.5175.3-170.4177.823.200112.1H456 K457 V462 E463 S464H456-Q460 PolarHBondContact O-N 2.75Å; K457-Q460 PolarHBondContact O-N 3.23Å; Q460-V462 VanDerWaalsContact C-N 3.34Å; Q460-E463 PolarHBondContact O-N 2.77Å; Q460-S464 WeakPolarHBondContact O-CB 3.34Å; Q460-S464 PolarHBondContact O-N 3.36Å; Q460-S464 PolarHBondContact O-OG 3.48Å
461D89.7Confident90.9Very high82 Ų8297.3 Ų97.344%0.43950%0.497SS..Hα-helixtrans-65.1-36.7174.3-78.3-7.1000112.2K457 L458 L459 S464 K465K457-D461 PolarHBondContact O-N 3.35Å; L458-D461 PolarHBondContact O-N 2.7Å; L459-D461 VanDerWaalsContact C-N 3.34Å; L459-D461 PolarHBondContact O-N 3.46Å; D461-S464 WeakPolarHBondContact CA-OG 3.47Å; D461-S464 PolarHBondContact O-OG 3.22Å; D461-K465 WeakPolarHBondContact O-CB 3.25Å; D461-K465 VanDerWaalsContact O-CG 3.22Å; D461-K465 WeakPolarHBondContact O-CG 3.39Å; D461-K465 PolarHBondContact O-N 3.41Å
462V88.3Confident90.8Very high89 Ų8997.6 Ų97.654%0.53950%0.499SS..Hα-helixtrans-67.9-42.1175168.90000110.9L458 L459 Q460 K465 S466L458-V462 VanDerWaalsContact O-CG2 3.28Å; L458-V462 WeakPolarHBondContact O-CG2 3.46Å; L458-V462 PolarHBondContact O-N 3.34Å; L459-V462 PolarHBondContact O-N 3.12Å; Q460-V462 VanDerWaalsContact C-N 3.34Å; V462-K465 PolarHBondContact O-N 3Å; V462-S466 WeakPolarHBondContact O-CB 3.45Å; V462-S466 PolarHBondContact O-N 3.19Å
463E89.5Confident90.7Very high138 Ų13899.3 Ų99.365%0.64550%0.503SS*.Hα-helixtrans-66.2-41.4178.7-169.9170.8-16000112.2L459 Q460 S466 S467L459-E463 PolarHBondContact O-N 2.81Å; Q460-E463 PolarHBondContact O-N 2.77Å; E463-S466 PolarHBondContact O-N 3.29Å; E463-S467 PolarHBondContact O-N 2.85Å; E463-S467 PolarHBondContact O-OG 3.32Å
464S91.1Very high90.6Very high55 Ų5599.7 Ų99.739%0.38551%0.505SS..Hα-helixtrans-66-41.5174.362.70000112.2Q460 D461 S467 I468Q460-S464 WeakPolarHBondContact O-CB 3.34Å; Q460-S464 PolarHBondContact O-N 3.36Å; Q460-S464 PolarHBondContact O-OG 3.48Å; D461-S464 WeakPolarHBondContact CA-OG 3.47Å; D461-S464 PolarHBondContact O-OG 3.22Å; S464-S467 WeakPolarHBondContact O-CB 3.45Å; S464-S467 PolarHBondContact O-N 2.87Å; S464-I468 WeakPolarHBondContact O-CG1 3.27Å; S464-I468 PolarHBondContact O-N 3.47Å
465K90.7Very high90.6Very high141 Ų141101.8 Ų101.861%0.61351%0.513SS*.Hα-helixtrans-63.3-41173.8-77172.7-176.7170.50112.4D461 V462 S467 I468 E469D461-K465 WeakPolarHBondContact O-CB 3.25Å; D461-K465 VanDerWaalsContact O-CG 3.22Å; D461-K465 WeakPolarHBondContact O-CG 3.39Å; D461-K465 PolarHBondContact O-N 3.41Å; V462-K465 PolarHBondContact O-N 3Å; K465-S467 VanDerWaalsContact C-N 3.32Å; K465-S467 PolarHBondContact O-N 3.46Å; K465-I468 PolarHBondContact O-N 3.29Å; K465-E469 PolarHBondContact O-N 2.79Å
466S90.2Very high90.6Very high61 Ų61102.3 Ų102.343%0.42752%0.515SS..Hα-helixtrans-63-39.2175-174.80000111.9V462 E463 I468 E469 T470V462-S466 WeakPolarHBondContact O-CB 3.45Å; V462-S466 PolarHBondContact O-N 3.19Å; E463-S466 PolarHBondContact O-N 3.29Å; S466-I468 VanDerWaalsContact C-N 3.29Å; S466-I468 PolarHBondContact O-N 3.48Å; S466-E469 PolarHBondContact O-N 2.93Å; S466-T470 WeakPolarHBondContact O-CG2 3.46Å; S466-T470 PolarHBondContact O-N 2.94Å; S466-T470 PolarHBondContact O-OG1 2.9Å
467S89.7Confident90.7Very high58 Ų58101.9 Ų101.941%0.40651%0.513SS..Hα-helixtrans-65.1-30.7174.6-61.20000113E463 S464 K465 T470 K471E463-S467 PolarHBondContact O-N 2.85Å; E463-S467 PolarHBondContact O-OG 3.32Å; S464-S467 WeakPolarHBondContact O-CB 3.45Å; S464-S467 PolarHBondContact O-N 2.87Å; K465-S467 VanDerWaalsContact C-N 3.32Å; K465-S467 PolarHBondContact O-N 3.46Å; S467-T470 WeakPolarHBondContact CA-OG1 3.43Å; S467-T470 PolarHBondContact O-OG1 2.92Å; S467-K471 WeakPolarHBondContact O-CG 3.45Å; S467-K471 PolarHBondContact O-N 3.31Å
468I90.9Very high90.6Very high95 Ų95101.9 Ų101.949%0.48752%0.515SS..Hα-helixtrans-77.6-42.6173.8-65.8162.8000110.5S464 K465 S466 T470 K471 L472S464-I468 WeakPolarHBondContact O-CG1 3.27Å; S464-I468 PolarHBondContact O-N 3.47Å; K465-I468 PolarHBondContact O-N 3.29Å; S466-I468 VanDerWaalsContact C-N 3.29Å; S466-I468 PolarHBondContact O-N 3.48Å; I468-T470 VanDerWaalsContact C-N 3.3Å; I468-T470 PolarHBondContact O-N 3.22Å; I468-K471 PolarHBondContact O-N 3Å; I468-L472 HydrophobicContact CG2-CD1 4.07Å; I468-L472 HydrophobicContact CG2-CG 4.42Å; I468-L472 WeakPolarHBondContact O-CG 3.34Å; I468-L472 PolarHBondContact O-N 3.22Å
469E89.6Confident90.7Very high93 Ų93101.4 Ų101.444%0.43551%0.512SS..Hα-helixtrans-59.2-42.2177.2-170.2-169.1156.100111.5K465 S466 L472 R473K465-E469 PolarHBondContact O-N 2.79Å; S466-E469 PolarHBondContact O-N 2.93Å; E469-L472 PolarHBondContact O-N 3.06Å; E469-R473 WeakPolarHBondContact O-CB 3.5Å; E469-R473 WeakPolarHBondContact O-CG 3.32Å; E469-R473 PolarHBondContact O-N 2.94Å; E469-R473 IonicContact OE1-CZ 3.96Å; E469-R473 VanDerWaalsContact OE1-CZ 3.27Å; E469-R473 IonicContact OE1-NE 3.61Å; E469-R473 PolarHBondContact OE1-NE 2.97Å; E469-R473 IonicContact OE1-NH2 3.05Å; E469-R473 PolarHBondContact OE1-NH2 3.36Å
470T88.5Confident90.7Very high67 Ų67100.6 Ų100.641%0.41151%0.505SS..Hα-helixtrans-63.2-40.2176.246.30000112.4S466 S467 I468 R473 N474S466-T470 WeakPolarHBondContact O-CG2 3.46Å; S466-T470 PolarHBondContact O-N 2.94Å; S466-T470 PolarHBondContact O-OG1 2.9Å; S467-T470 WeakPolarHBondContact CA-OG1 3.43Å; S467-T470 PolarHBondContact O-OG1 2.92Å; I468-T470 VanDerWaalsContact C-N 3.3Å; I468-T470 PolarHBondContact O-N 3.22Å; T470-R473 PolarHBondContact O-N 3.48Å; T470-N474 PolarHBondContact O-N 2.86Å; T470-N474 PolarHBondContact O-ND2 3.5Å; T470-N474 PolarHBondContact O-OD1 2.91Å
471K93.1Very high90.6Very high136 Ų136100.4 Ų100.459%0.59151%0.506SS*.Hα-helixtrans-62.3-46.8172.9-70.8172.5-175179.20112S467 I468 R473 N474 E475S467-K471 WeakPolarHBondContact O-CG 3.45Å; S467-K471 PolarHBondContact O-N 3.31Å; I468-K471 PolarHBondContact O-N 3Å; K471-R473 VanDerWaalsContact C-N 3.32Å; K471-R473 PolarHBondContact O-N 3.47Å; K471-N474 PolarHBondContact O-N 2.83Å; K471-E475 WeakPolarHBondContact O-CG 3.44Å; K471-E475 PolarHBondContact O-N 2.92Å
472L91.2Very high90.7Very high100 Ų100101.9 Ų101.952%0.52451%0.508SS..Hα-helixtrans-63.9-36.6178.2-70.7173.1000112.3I468 E469 E475 L476I468-L472 HydrophobicContact CG2-CD1 4.07Å; I468-L472 HydrophobicContact CG2-CG 4.42Å; I468-L472 WeakPolarHBondContact O-CG 3.34Å; I468-L472 PolarHBondContact O-N 3.22Å; E469-L472 PolarHBondContact O-N 3.06Å; L472-E475 PolarHBondContact O-N 3.19Å; L472-L476 WeakPolarHBondContact O-CB 3.35Å; L472-L476 PolarHBondContact O-N 2.96Å
473R90.9Very high90.9Very high144 Ų144101.8 Ų101.854%0.54350%0.503SS..Hα-helixtrans-62.8-44.7172.9-77.9174.4179.3-122.35.9111.6E469 T470 K471 L476 E477E469-R473 WeakPolarHBondContact O-CB 3.5Å; E469-R473 WeakPolarHBondContact O-CG 3.32Å; E469-R473 PolarHBondContact O-N 2.94Å; E469-R473 IonicContact OE1-CZ 3.96Å; E469-R473 VanDerWaalsContact OE1-CZ 3.27Å; E469-R473 IonicContact OE1-NE 3.61Å; E469-R473 PolarHBondContact OE1-NE 2.97Å; E469-R473 IonicContact OE1-NH2 3.05Å; E469-R473 PolarHBondContact OE1-NH2 3.36Å; T470-R473 PolarHBondContact O-N 3.48Å; K471-R473 VanDerWaalsContact C-N 3.32Å; K471-R473 PolarHBondContact O-N 3.47Å; R473-L476 WeakPolarHBondContact O-CB 3.43Å; R473-L476 PolarHBondContact O-N 3.05Å; R473-E477 WeakPolarHBondContact O-CG 3.36Å; R473-E477 PolarHBondContact O-N 3.21Å
474N90.9Very high90.9Very high102 Ų10299.7 Ų99.755%0.54550%0.496SS..Hα-helixtrans-63.4-42.2177.2-65.5-13.2000111.8T470 K471 E477 E478T470-N474 PolarHBondContact O-N 2.86Å; T470-N474 PolarHBondContact O-ND2 3.5Å; T470-N474 PolarHBondContact O-OD1 2.91Å; K471-N474 PolarHBondContact O-N 2.83Å; N474-E477 PolarHBondContact O-N 3.28Å; N474-E478 PolarHBondContact O-N 3.42Å
475E92.2Very high90.8Very high109 Ų109103.6 Ų103.651%0.50951%0.508SS..Hα-helixtrans-63-40.9174.7-72.7176.2-168.200111.9K471 L472 E478 I479K471-E475 WeakPolarHBondContact O-CG 3.44Å; K471-E475 PolarHBondContact O-N 2.92Å; L472-E475 PolarHBondContact O-N 3.19Å; E475-E478 PolarHBondContact O-N 3.4Å; E475-I479 VanDerWaalsContact O-CG1 3.32Å; E475-I479 WeakPolarHBondContact O-CG1 3.45Å; E475-I479 PolarHBondContact O-N 3.28Å
476L89.1Confident90.8Very high101 Ų101102.3 Ų102.353%0.52951%0.507SS..Hα-helixtrans-61.8-44.1175.6-168.397.9000111.3L472 R473 I479 Q480L472-L476 WeakPolarHBondContact O-CB 3.35Å; L472-L476 PolarHBondContact O-N 2.96Å; R473-L476 WeakPolarHBondContact O-CB 3.43Å; R473-L476 PolarHBondContact O-N 3.05Å; L476-I479 PolarHBondContact O-N 2.93Å; L476-Q480 VanDerWaalsContact O-CG 3.3Å; L476-Q480 WeakPolarHBondContact O-CG 3.44Å; L476-Q480 PolarHBondContact O-N 3Å
477E91.8Very high90.8Very high115 Ų115104.9 Ų104.954%0.53751%0.512SS..Hα-helixtrans-62.7-40.9175.9-74.8177-171.600111.6R473 N474 I479 Q480 M481R473-E477 WeakPolarHBondContact O-CG 3.36Å; R473-E477 PolarHBondContact O-N 3.21Å; N474-E477 PolarHBondContact O-N 3.28Å; E477-I479 PolarHBondContact O-N 3.41Å; E477-Q480 PolarHBondContact O-N 2.86Å; E477-M481 WeakPolarHBondContact O-CG 3.36Å; E477-M481 PolarHBondContact O-N 2.81Å
478E92Very high90.8Very high106 Ų106110.1 Ų110.150%0.49552%0.523SS..Hα-helixtrans-63.8-41.9176.4-163.4-168.4146.700112N474 E475 M481 K482N474-E478 PolarHBondContact O-N 3.42Å; E475-E478 PolarHBondContact O-N 3.4Å; E478-M481 PolarHBondContact O-N 3.21Å; E478-K482 PolarHBondContact O-N 2.9Å; E478-K482 WeakPolarHBondContact OE1-CE 3.33Å; E478-K482 IonicContact OE1-NZ 3.33Å; E478-K482 PolarHBondContact OE1-NZ 2.92Å
479I91.5Very high90.7Very high98 Ų98107.9 Ų107.950%0.50352%0.516SS..Hα-helixtrans-65.6-41.7175.9-68.4167.8000110.6E475 L476 E477 M481 K482 I483E475-I479 VanDerWaalsContact O-CG1 3.32Å; E475-I479 WeakPolarHBondContact O-CG1 3.45Å; E475-I479 PolarHBondContact O-N 3.28Å; L476-I479 PolarHBondContact O-N 2.93Å; E477-I479 PolarHBondContact O-N 3.41Å; I479-M481 VanDerWaalsContact C-N 3.33Å; I479-M481 PolarHBondContact O-N 2.91Å; I479-K482 PolarHBondContact O-N 2.89Å; I479-I483 HydrophobicContact CG2-CD1 3.99Å; I479-I483 WeakPolarHBondContact O-CG1 3.44Å; I479-I483 PolarHBondContact O-N 3.23Å
480Q91.8Very high90.7Very high100 Ų100107.2 Ų107.247%0.46752%0.518SS..Hα-helixtrans-60.9-42.4175.4-75.3176.43.600111.6L476 E477 I483 I484L476-Q480 VanDerWaalsContact O-CG 3.3Å; L476-Q480 WeakPolarHBondContact O-CG 3.44Å; L476-Q480 PolarHBondContact O-N 3Å; E477-Q480 PolarHBondContact O-N 2.86Å; Q480-I483 PolarHBondContact O-N 3.46Å; Q480-I484 WeakPolarHBondContact O-CG1 3.23Å; Q480-I484 PolarHBondContact O-N 2.91Å
481M90.2Very high90.9Very high119 Ų119111.2 Ų111.259%0.58653%0.526SS*.Hα-helixtrans-61.9-43.8175-75.2-59.9-60.300112.2E477 E478 I479 I483 I484 E485E477-M481 WeakPolarHBondContact O-CG 3.36Å; E477-M481 PolarHBondContact O-N 2.81Å; E478-M481 PolarHBondContact O-N 3.21Å; I479-M481 VanDerWaalsContact C-N 3.33Å; I479-M481 PolarHBondContact O-N 2.91Å; M481-I483 VanDerWaalsContact C-N 3.34Å; M481-I483 PolarHBondContact O-N 3.43Å; M481-I484 PolarHBondContact O-N 3.45Å; M481-E485 PolarHBondContact O-N 3.44Å
482K92.4Very high90.7Very high113 Ų113108.9 Ų108.949%0.49152%0.519SS..Hα-helixtrans-61.3-40174.9-79.7167.2172.5161.30112.5E478 I479 E485 L486E478-K482 PolarHBondContact O-N 2.9Å; E478-K482 WeakPolarHBondContact OE1-CE 3.33Å; E478-K482 IonicContact OE1-NZ 3.33Å; E478-K482 PolarHBondContact OE1-NZ 2.92Å; I479-K482 PolarHBondContact O-N 2.89Å; K482-E485 PolarHBondContact O-N 2.83Å; K482-L486 WeakPolarHBondContact O-CB 3.49Å; K482-L486 VanDerWaalsContact O-CG 3.31Å; K482-L486 WeakPolarHBondContact O-CG 3.4Å; K482-L486 PolarHBondContact O-N 3.02Å
483I91.1Very high90.6Very high86 Ų86109.7 Ų109.744%0.44152%0.52SS..Hα-helixtrans-63.4-47.1176.1-70.8168.4000110.6I479 Q480 M481 E485 L486 E487I479-I483 HydrophobicContact CG2-CD1 3.99Å; I479-I483 WeakPolarHBondContact O-CG1 3.44Å; I479-I483 PolarHBondContact O-N 3.23Å; Q480-I483 PolarHBondContact O-N 3.46Å; M481-I483 VanDerWaalsContact C-N 3.34Å; M481-I483 PolarHBondContact O-N 3.43Å; I483-E485 VanDerWaalsContact C-N 3.27Å; I483-E485 PolarHBondContact O-N 2.82Å; I483-L486 PolarHBondContact O-N 2.87Å; I483-E487 HydrophobicContact CG2-CG 4.42Å; I483-E487 WeakPolarHBondContact O-CG 3.3Å; I483-E487 PolarHBondContact O-N 3.36Å
484I89.2Confident90.6Very high94 Ų94108.1 Ų108.148%0.48252%0.519SS..Hα-helixtrans-59.8-39.9177.8-67.8166.2000111Q480 M481 E487 R488Q480-I484 WeakPolarHBondContact O-CG1 3.23Å; Q480-I484 PolarHBondContact O-N 2.91Å; M481-I484 PolarHBondContact O-N 3.45Å; I484-E487 PolarHBondContact O-N 3.24Å; I484-R488 WeakPolarHBondContact O-CB 3.46Å; I484-R488 PolarHBondContact O-N 2.98Å
485E89.8Confident90.5Very high138 Ų138109 Ų10965%0.64552%0.522SS*.Hα-helixtrans-68.3-41177.7-172.1151.4-148.100112.5M481 K482 I483 R488 S489M481-E485 PolarHBondContact O-N 3.44Å; K482-E485 PolarHBondContact O-N 2.83Å; I483-E485 VanDerWaalsContact C-N 3.27Å; I483-E485 PolarHBondContact O-N 2.82Å; E485-R488 WeakPolarHBondContact O-CB 3.39Å; E485-R488 PolarHBondContact O-N 3.07Å; E485-S489 WeakPolarHBondContact O-CB 3.33Å; E485-S489 PolarHBondContact O-N 3.33Å
486L90.9Very high90.4Very high114 Ų114108 Ų10860%0.59752%0.521SS*.Hα-helixtrans-63.2-43.4172.8-74171.5000111.9K482 I483 R488 S489 V490K482-L486 WeakPolarHBondContact O-CB 3.49Å; K482-L486 VanDerWaalsContact O-CG 3.31Å; K482-L486 WeakPolarHBondContact O-CG 3.4Å; K482-L486 PolarHBondContact O-N 3.02Å; I483-L486 PolarHBondContact O-N 2.87Å; L486-R488 VanDerWaalsContact C-N 3.28Å; L486-R488 PolarHBondContact O-N 2.95Å; L486-S489 WeakPolarHBondContact O-CB 3.35Å; L486-S489 PolarHBondContact O-N 2.92Å; L486-V490 VanDerWaalsContact O-CG2 3.32Å; L486-V490 WeakPolarHBondContact O-CG2 3.29Å; L486-V490 PolarHBondContact O-N 2.91Å
487E90.2Very high90.4Very high114 Ų114110 Ų11053%0.53353%0.525SS..Hα-helixtrans-61.5-36.7174.6-73.7179.4169.300112.3I483 I484 R491I483-E487 HydrophobicContact CG2-CG 4.42Å; I483-E487 WeakPolarHBondContact O-CG 3.3Å; I483-E487 PolarHBondContact O-N 3.36Å; I484-E487 PolarHBondContact O-N 3.24Å; E487-R491 PolarHBondContact O-N 3.35Å; E487-R491 VanDerWaalsContact O-N 3.12Å
488R89.3Confident90.2Very high168 Ų168110.8 Ų110.863%0.63453%0.528SS*.Hα-helixtrans-67.4-44.3174-165.7-179-173.3-168.52111.2I484 E485 L486 R491 I492I484-R488 WeakPolarHBondContact O-CB 3.46Å; I484-R488 PolarHBondContact O-N 2.98Å; E485-R488 WeakPolarHBondContact O-CB 3.39Å; E485-R488 PolarHBondContact O-N 3.07Å; L486-R488 VanDerWaalsContact C-N 3.28Å; L486-R488 PolarHBondContact O-N 2.95Å; R488-R491 PolarHBondContact O-N 2.78Å; R488-I492 HydrophobicContact CG-CD1 4.48Å; R488-I492 WeakPolarHBondContact O-CG1 3.24Å; R488-I492 PolarHBondContact O-N 3.41Å; R488-I492 VanDerWaalsContact O-N 3.08Å
489S90Very high90Very high48 Ų48111.8 Ų111.834%0.33653%0.533SS..Hα-helixtrans-59.4-46.5175.5-175.50000111.3E485 L486 R491 I492 H493E485-S489 WeakPolarHBondContact O-CB 3.33Å; E485-S489 PolarHBondContact O-N 3.33Å; L486-S489 WeakPolarHBondContact O-CB 3.35Å; L486-S489 PolarHBondContact O-N 2.92Å; S489-R491 VanDerWaalsContact C-N 3.33Å; S489-R491 PolarHBondContact O-N 3.38Å; S489-I492 WeakPolarHBondContact O-CB 3.41Å; S489-I492 PolarHBondContact O-N 2.87Å; S489-I492 VanDerWaalsContact O-N 3.11Å; S489-H493 PolarHBondContact O-N 3.07Å; S489-H493 PolarHBondContact O-ND1 3.49Å; S489-H493 PolarHBondContact OG-CE1 3.3Å; S489-H493 VanDerWaalsContact OG-CE1 3.29Å; S489-H493 PolarHBondContact OG-ND1 3.38Å
490V89.7Confident89.8Confident79 Ų79110 Ų11048%0.47953%0.533SS..Hα-helixtrans-59-42.3176.7169.70000111.7L486 I492 H493 Q494L486-V490 VanDerWaalsContact O-CG2 3.32Å; L486-V490 WeakPolarHBondContact O-CG2 3.29Å; L486-V490 PolarHBondContact O-N 2.91Å; V490-I492 VanDerWaalsContact C-N 3.34Å; V490-I492 PolarHBondContact O-N 3.16Å; V490-H493 PolarHBondContact O-N 2.68Å; V490-Q494 HydrophobicContact CG1-CG 4.49Å; V490-Q494 VanDerWaalsContact O-CG 3.31Å; V490-Q494 WeakPolarHBondContact O-CG 3.25Å; V490-Q494 PolarHBondContact O-N 3.37Å
491R91.6Very high89.7Confident152 Ų152109.2 Ų109.257%0.57453%0.531SS*.Hα-helixtrans-62.5-38.9175.5-81.1-173.1-74.2170.7-6.7112.9E487 R488 S489 Q494 L495E487-R491 PolarHBondContact O-N 3.35Å; E487-R491 VanDerWaalsContact O-N 3.12Å; R488-R491 PolarHBondContact O-N 2.78Å; S489-R491 VanDerWaalsContact C-N 3.33Å; S489-R491 PolarHBondContact O-N 3.38Å; R491-Q494 PolarHBondContact O-N 3Å; R491-L495 PolarHBondContact O-N 2.89Å; R491-L495 VanDerWaalsContact O-N 3.07Å
492I89.6Confident89.4Confident86 Ų86106.2 Ų106.244%0.44152%0.522SS..Hα-helixtrans-64-48.9175.9-67.3165.3000110.1R488 S489 V490 Q494 L495 D496R488-I492 HydrophobicContact CG-CD1 4.48Å; R488-I492 WeakPolarHBondContact O-CG1 3.24Å; R488-I492 PolarHBondContact O-N 3.41Å; R488-I492 VanDerWaalsContact O-N 3.08Å; S489-I492 WeakPolarHBondContact O-CB 3.41Å; S489-I492 PolarHBondContact O-N 2.87Å; S489-I492 VanDerWaalsContact O-N 3.11Å; V490-I492 VanDerWaalsContact C-N 3.34Å; V490-I492 PolarHBondContact O-N 3.16Å; I492-Q494 VanDerWaalsContact C-N 3.26Å; I492-Q494 PolarHBondContact O-N 3.05Å; I492-L495 WeakPolarHBondContact O-CB 3.28Å; I492-L495 PolarHBondContact O-N 3.38Å; I492-D496 PolarHBondContact O-N 3.47Å
493H88.2Confident89.2Confident118 Ų118105.6 Ų105.655%0.54652%0.521SS..Hα-helixtrans-62.9-32.9178.9-70.973.5000112.5S489 V490 K497S489-H493 PolarHBondContact O-N 3.07Å; S489-H493 PolarHBondContact O-ND1 3.49Å; S489-H493 PolarHBondContact OG-CE1 3.3Å; S489-H493 VanDerWaalsContact OG-CE1 3.29Å; S489-H493 PolarHBondContact OG-ND1 3.38Å; V490-H493 PolarHBondContact O-N 2.68Å; H493-K497 WeakPolarHBondContact O-CB 3.34Å; H493-K497 PolarHBondContact O-N 2.9Å
494Q91.5Very high89.1Confident111 Ų111109.1 Ų109.152%0.51953%0.53SS..Hα-helixtrans-67-40.2172.7-75.3173.4-3.300112.3V490 R491 I492 K497 H498V490-Q494 HydrophobicContact CG1-CG 4.49Å; V490-Q494 VanDerWaalsContact O-CG 3.31Å; V490-Q494 WeakPolarHBondContact O-CG 3.25Å; V490-Q494 PolarHBondContact O-N 3.37Å; R491-Q494 PolarHBondContact O-N 3Å; I492-Q494 VanDerWaalsContact C-N 3.26Å; I492-Q494 PolarHBondContact O-N 3.05Å; Q494-K497 PolarHBondContact O-N 2.76Å; Q494-H498 PolarHBondContact O-CD2 2.79Å; Q494-H498 VanDerWaalsContact O-CD2 3.32Å; Q494-H498 PolarHBondContact O-N 2.77Å
495L88.5Confident89Confident119 Ų119108.5 Ų108.562%0.62353%0.525SS*.Hα-helixtrans-63.4-45.4173.9-79.2164.2000111.2R491 I492 K497 H498 Q499R491-L495 PolarHBondContact O-N 2.89Å; R491-L495 VanDerWaalsContact O-N 3.07Å; I492-L495 WeakPolarHBondContact O-CB 3.28Å; I492-L495 PolarHBondContact O-N 3.38Å; L495-K497 PolarHBondContact O-N 2.86Å; L495-H498 WeakPolarHBondContact O-CB 3.31Å; L495-H498 PolarHBondContact O-N 3.39Å; L495-H498 VanDerWaalsContact O-N 3.16Å; L495-Q499 PolarHBondContact O-N 3.06Å
496D89.7Confident88.8Confident90 Ų90109.1 Ų109.148%0.48152%0.521SS..Hα-helixtrans-62.2-42.3177.4-68.1-21.4000111.7I492 H498 Q499 A500I492-D496 PolarHBondContact O-N 3.47Å; D496-H498 PolarHBondContact O-N 2.85Å; D496-Q499 PolarHBondContact O-N 2.87Å; D496-A500 WeakPolarHBondContact O-CB 3.3Å; D496-A500 PolarHBondContact O-N 3.23Å
497K89.2Confident88.7Confident141 Ų141108.5 Ų108.561%0.61352%0.518SS*.Hα-helixtrans-58.7-45.9172.8177.5-177.7175.21800111.5H493 Q494 L495 Q499 A500 I501H493-K497 WeakPolarHBondContact O-CB 3.34Å; H493-K497 PolarHBondContact O-N 2.9Å; Q494-K497 PolarHBondContact O-N 2.76Å; L495-K497 PolarHBondContact O-N 2.86Å; K497-Q499 VanDerWaalsContact C-N 3.32Å; K497-Q499 PolarHBondContact O-N 3.22Å; K497-A500 PolarHBondContact O-N 3.15Å; K497-I501 HydrophobicContact CG-CD1 3.96Å; K497-I501 VanDerWaalsContact O-CG1 3.28Å; K497-I501 WeakPolarHBondContact O-CG1 3.19Å; K497-I501 PolarHBondContact O-N 2.82Å
498H88.3Confident88.6Confident132 Ų132109.2 Ų109.261%0.61152%0.516SS*.Hα-helixtrans-63-39.6177.5-92.6-69000112.1Q494 L495 D496 I501 S502Q494-H498 PolarHBondContact O-CD2 2.79Å; Q494-H498 VanDerWaalsContact O-CD2 3.32Å; Q494-H498 PolarHBondContact O-N 2.77Å; L495-H498 WeakPolarHBondContact O-CB 3.31Å; L495-H498 PolarHBondContact O-N 3.39Å; L495-H498 VanDerWaalsContact O-N 3.16Å; D496-H498 PolarHBondContact O-N 2.85Å; H498-I501 PolarHBondContact O-N 3.32Å; H498-S502 PolarHBondContact O-N 2.79Å
499Q87.6Confident88.2Confident128 Ų128104 Ų10460%0.59851%0.505SS*.Hα-helixtrans-64.7-44.6176.4-171.7163.8-1700111.4L495 D496 K497 I501 S502 E503L495-Q499 PolarHBondContact O-N 3.06Å; D496-Q499 PolarHBondContact O-N 2.87Å; K497-Q499 VanDerWaalsContact C-N 3.32Å; K497-Q499 PolarHBondContact O-N 3.22Å; Q499-I501 PolarHBondContact O-N 2.93Å; Q499-S502 WeakPolarHBondContact O-CB 3.33Å; Q499-S502 PolarHBondContact O-N 3.3Å; Q499-E503 WeakPolarHBondContact O-CG 3.47Å; Q499-E503 PolarHBondContact O-N 2.92Å
500A87.3Confident87.9Confident61 Ų61109.3 Ų109.350%0.50452%0.518SS..Hα-helixtrans-61.2-42.4175.400000112.7D496 K497 S502 E503 Y504D496-A500 WeakPolarHBondContact O-CB 3.3Å; D496-A500 PolarHBondContact O-N 3.23Å; K497-A500 PolarHBondContact O-N 3.15Å; A500-S502 VanDerWaalsContact C-N 3.32Å; A500-S502 PolarHBondContact O-N 2.95Å; A500-E503 PolarHBondContact O-N 3.19Å; A500-Y504 WeakPolarHBondContact O-CB 3.41Å; A500-Y504 PolarHBondContact O-N 3.48Å
501I88.4Confident87.3Confident82 Ų82110 Ų11042%0.42152%0.518SS..Hα-helixtrans-62.1-41.3174.8-68.7165.9000110.8K497 H498 Q499 Y504 E505K497-I501 HydrophobicContact CG-CD1 3.96Å; K497-I501 VanDerWaalsContact O-CG1 3.28Å; K497-I501 WeakPolarHBondContact O-CG1 3.19Å; K497-I501 PolarHBondContact O-N 2.82Å; H498-I501 PolarHBondContact O-N 3.32Å; Q499-I501 PolarHBondContact O-N 2.93Å; I501-Y504 PolarHBondContact O-N 3.23Å; I501-E505 PolarHBondContact O-N 2.92Å
502S85.1Confident86.6Confident56 Ų56107.2 Ų107.239%0.39251%0.512SS..Hα-helixtrans-64.8-42.4178.2-161.50000112.3H498 Q499 A500 Y504 E505 R506H498-S502 PolarHBondContact O-N 2.79Å; Q499-S502 WeakPolarHBondContact O-CB 3.33Å; Q499-S502 PolarHBondContact O-N 3.3Å; A500-S502 VanDerWaalsContact C-N 3.32Å; A500-S502 PolarHBondContact O-N 2.95Å; S502-Y504 VanDerWaalsContact C-N 3.34Å; S502-E505 PolarHBondContact O-N 2.97Å; S502-R506 WeakPolarHBondContact O-CG 3.43Å; S502-R506 PolarHBondContact O-N 3.3Å
503E87.3Confident85.9Confident101 Ų101110.6 Ų110.647%0.47252%0.52SS..Hα-helixtrans-61.6-42.2173.2-71.8-57.2125.200111.7Q499 A500 R506 L507Q499-E503 WeakPolarHBondContact O-CG 3.47Å; Q499-E503 PolarHBondContact O-N 2.92Å; A500-E503 PolarHBondContact O-N 3.19Å; E503-R506 WeakPolarHBondContact O-CB 3.5Å; E503-R506 PolarHBondContact O-N 3.29Å; E503-R506 IonicContact OE1-CZ 3.27Å; E503-R506 IonicContact OE1-NH1 2.76Å; E503-R506 PolarHBondContact OE1-NH1 3.33Å; E503-L507 PolarHBondContact O-N 2.97Å
504Y89.2Confident85Confident159 Ų159109.8 Ų109.862%0.62452%0.518SS*.Hα-helixtrans-63.1-44.3176.6-166.7-90.8000112.3A500 I501 S502 R506 L507 R508A500-Y504 WeakPolarHBondContact O-CB 3.41Å; A500-Y504 PolarHBondContact O-N 3.48Å; I501-Y504 PolarHBondContact O-N 3.23Å; S502-Y504 VanDerWaalsContact C-N 3.34Å; Y504-R506 VanDerWaalsContact C-N 3.34Å; Y504-R506 PolarHBondContact O-N 2.98Å; Y504-L507 WeakPolarHBondContact O-CB 3.42Å; Y504-L507 PolarHBondContact O-N 2.85Å; Y504-R508 WeakPolarHBondContact O-CB 3.32Å; Y504-R508 PolarHBondContact O-N 3.03Å
505E87.9Confident83.8Confident81 Ų81108 Ų10838%0.37952%0.515SS..Hα-helixtrans-66.2-34.5176.6-75.6-66.7176.900112.5I501 S502 R508 S509I501-E505 PolarHBondContact O-N 2.92Å; S502-E505 PolarHBondContact O-N 2.97Å; E505-R508 IonicContact OE1-NH1 3.19Å; E505-R508 PolarHBondContact OE1-NH1 3.41Å; E505-R508 IonicContact OE2-CZ 3.11Å; E505-R508 IonicContact OE2-NE 3.44Å; E505-R508 IonicContact OE2-NH1 2.69Å; E505-R508 PolarHBondContact OE2-NH1 3.27Å; E505-S509 VanDerWaalsContact O-CB 3.29Å; E505-S509 WeakPolarHBondContact O-CB 3.25Å; E505-S509 PolarHBondContact O-N 2.87Å; E505-S509 PolarHBondContact O-OG 3.1Å
506R85.6Confident82.6Confident151 Ų151108.2 Ų108.257%0.5751%0.511SS*.Hα-helixtrans-62.2-43.9171.1-78.4175.6177.4142.94.2111.7S502 E503 Y504 R510S502-R506 WeakPolarHBondContact O-CG 3.43Å; S502-R506 PolarHBondContact O-N 3.3Å; E503-R506 WeakPolarHBondContact O-CB 3.5Å; E503-R506 PolarHBondContact O-N 3.29Å; E503-R506 IonicContact OE1-CZ 3.27Å; E503-R506 IonicContact OE1-NH1 2.76Å; E503-R506 PolarHBondContact OE1-NH1 3.33Å; Y504-R506 VanDerWaalsContact C-N 3.34Å; Y504-R506 PolarHBondContact O-N 2.98Å; R506-R510 PolarHBondContact O-N 3.36Å; R506-R510 VanDerWaalsContact O-N 3.09Å
507L88Confident81Confident102 Ų102107.9 Ų107.953%0.53452%0.515SS..Hα-helixtrans-64.6-49.2177.2-178.265.5000111.4E503 Y504 S509 R510 I511E503-L507 PolarHBondContact O-N 2.97Å; Y504-L507 WeakPolarHBondContact O-CB 3.42Å; Y504-L507 PolarHBondContact O-N 2.85Å; L507-S509 VanDerWaalsContact C-N 3.33Å; L507-S509 PolarHBondContact O-N 3.22Å; L507-R510 WeakPolarHBondContact O-CA 3.37Å; L507-R510 VanDerWaalsContact O-CB 3.25Å; L507-R510 WeakPolarHBondContact O-CB 3.25Å; L507-R510 PolarHBondContact O-N 2.83Å; L507-I511 HydrophobicContact CG-CD1 4.31Å; L507-I511 PolarHBondContact O-N 2.95Å
508R89.2Confident79.3Confident129 Ų129106.1 Ų106.149%0.48752%0.516SS..Hα-helixtrans-56.4-45.6176.4176.7-177158.9-151.72.9112Y504 E505 R510 I511 M512Y504-R508 WeakPolarHBondContact O-CB 3.32Å; Y504-R508 PolarHBondContact O-N 3.03Å; E505-R508 IonicContact OE1-NH1 3.19Å; E505-R508 PolarHBondContact OE1-NH1 3.41Å; E505-R508 IonicContact OE2-CZ 3.11Å; E505-R508 IonicContact OE2-NE 3.44Å; E505-R508 IonicContact OE2-NH1 2.69Å; E505-R508 PolarHBondContact OE2-NH1 3.27Å; R508-R510 PolarHBondContact O-N 3.39Å; R508-I511 PolarHBondContact O-N 3.3Å; R508-M512 PolarHBondContact O-N 3.45Å
509S80.9Confident77.5Confident58 Ų58103.6 Ų103.641%0.40651%0.51SS..Hα-helixtrans-64.2-28.7176.6-62.30000112.8E505 L507 R513E505-S509 VanDerWaalsContact O-CB 3.29Å; E505-S509 WeakPolarHBondContact O-CB 3.25Å; E505-S509 PolarHBondContact O-N 2.87Å; E505-S509 PolarHBondContact O-OG 3.1Å; L507-S509 VanDerWaalsContact C-N 3.33Å; L507-S509 PolarHBondContact O-N 3.22Å; S509-R513 PolarHBondContact O-N 2.9Å; S509-R513 PolarHBondContact O-NE 3.45Å
510R82.5Confident75.4Confident160 Ų160101.8 Ų101.860%0.60451%0.512SS*.Hα-helixtrans-69.4-47.3171.6-168.473.966.690.32.9111.1R506 L507 R508 R513 I514R506-R510 PolarHBondContact O-N 3.36Å; R506-R510 VanDerWaalsContact O-N 3.09Å; L507-R510 WeakPolarHBondContact O-CA 3.37Å; L507-R510 VanDerWaalsContact O-CB 3.25Å; L507-R510 WeakPolarHBondContact O-CB 3.25Å; L507-R510 PolarHBondContact O-N 2.83Å; R508-R510 PolarHBondContact O-N 3.39Å; R510-R513 PolarHBondContact O-N 3.47Å; R510-I514 HydrophobicContact CG-CD1 4.44Å; R510-I514 WeakPolarHBondContact O-CG1 3.39Å; R510-I514 PolarHBondContact O-N 2.97Å
511I78.4Confident73Confident92 Ų92105.7 Ų105.747%0.47252%0.524SS..Hα-helixtrans-62-47178.9-65.7170.4000110.9L507 R508 R513 I514 V515L507-I511 HydrophobicContact CG-CD1 4.31Å; L507-I511 PolarHBondContact O-N 2.95Å; R508-I511 PolarHBondContact O-N 3.3Å; I511-R513 VanDerWaalsContact C-N 3.29Å; I511-R513 PolarHBondContact O-N 2.91Å; I511-I514 WeakPolarHBondContact O-CB 3.33Å; I511-I514 PolarHBondContact O-N 2.95Å; I511-V515 HydrophobicContact CG2-CG2 4.12Å; I511-V515 WeakPolarHBondContact O-CG2 3.3Å; I511-V515 PolarHBondContact O-N 3.49Å
512M76.3Confident70.5Confident94 Ų94107.5 Ų107.546%0.46354%0.539SS..Hα-helixtrans-56.9-42.8177.7-78.3-74.6-87.500111.7R508 I514 V515 F516R508-M512 PolarHBondContact O-N 3.45Å; M512-I514 VanDerWaalsContact C-N 3.32Å; M512-I514 PolarHBondContact O-N 3.24Å; M512-V515 PolarHBondContact O-N 3.37Å; M512-F516 HydrophobicContact CE-CD2 4.26Å; M512-F516 HydrophobicContact CE-CE2 3.56Å; M512-F516 WeakPolarHBondContact O-CB 3.45Å; M512-F516 WeakPolarHBondContact O-CD2 3.36Å; M512-F516 PolarHBondContact O-N 3.02Å; M512-F516 HydrophobicContact SD-CD2 4.26Å; M512-F516 HydrophobicContact SD-CE2 3.88Å
513R73.9Confident68Low158 Ų158113.9 Ų113.960%0.59656%0.563SS**Hα-helixtrans-61.3-39.2174.8-83.1-177.1-72.1-152.1-1.8112.7S509 R510 I511 S517S509-R513 PolarHBondContact O-N 2.9Å; S509-R513 PolarHBondContact O-NE 3.45Å; R510-R513 PolarHBondContact O-N 3.47Å; I511-R513 VanDerWaalsContact C-N 3.29Å; I511-R513 PolarHBondContact O-N 2.91Å; R513-S517 VanDerWaalsContact O-CB 3.32Å; R513-S517 WeakPolarHBondContact O-CB 3.34Å; R513-S517 PolarHBondContact O-N 2.87Å; R513-S517 PolarHBondContact O-OG 3.24Å
514I69.2Low65Low100 Ų100113.5 Ų113.551%0.51357%0.57SS.*Hα-helixtrans-66-51.1177-65166.5000110.2R510 I511 M512 F516 S517 V518R510-I514 HydrophobicContact CG-CD1 4.44Å; R510-I514 WeakPolarHBondContact O-CG1 3.39Å; R510-I514 PolarHBondContact O-N 2.97Å; I511-I514 WeakPolarHBondContact O-CB 3.33Å; I511-I514 PolarHBondContact O-N 2.95Å; M512-I514 VanDerWaalsContact C-N 3.32Å; M512-I514 PolarHBondContact O-N 3.24Å; I514-F516 PolarHBondContact O-N 2.88Å; I514-S517 PolarHBondContact O-N 2.94Å; I514-S517 VanDerWaalsContact O-N 3.15Å; I514-V518 WeakPolarHBondContact O-CG2 3.38Å; I514-V518 PolarHBondContact O-N 2.7Å
515V66.5Low62.2Low74 Ų74111.7 Ų111.745%0.44857%0.571SS.*Hα-helixtrans-61.4-44.2-178.1174.50000111.4I511 M512 S517 V518 T519I511-V515 HydrophobicContact CG2-CG2 4.12Å; I511-V515 WeakPolarHBondContact O-CG2 3.3Å; I511-V515 PolarHBondContact O-N 3.49Å; M512-V515 PolarHBondContact O-N 3.37Å; V515-S517 VanDerWaalsContact C-N 3.33Å; V515-S517 PolarHBondContact O-N 2.99Å; V515-V518 PolarHBondContact O-N 3.35Å; V515-V518 VanDerWaalsContact O-N 3.15Å; V515-T519 PolarHBondContact O-N 3.25Å; V515-T519 PolarHBondContact O-OG1 2.98Å; V515-T519 VanDerWaalsContact O-OG1 3.1Å
516F63.6Low59.4Low124 Ų124114.4 Ų114.454%0.54459%0.594SS.*Hα-helixtrans-70.8-27177.3-84.6-80.3000113.6M512 I514 V518 T519 S520M512-F516 HydrophobicContact CE-CD2 4.26Å; M512-F516 HydrophobicContact CE-CE2 3.56Å; M512-F516 WeakPolarHBondContact O-CB 3.45Å; M512-F516 WeakPolarHBondContact O-CD2 3.36Å; M512-F516 PolarHBondContact O-N 3.02Å; M512-F516 HydrophobicContact SD-CD2 4.26Å; M512-F516 HydrophobicContact SD-CE2 3.88Å; I514-F516 PolarHBondContact O-N 2.88Å; F516-V518 VanDerWaalsContact C-N 3.32Å; F516-T519 WeakPolarHBondContact CA-OG1 3.38Å; F516-S520 PolarHBondContact O-N 3.39Å; F516-S520 PolarHBondContact O-OG 3.19Å
517S56Low56.6Low82 Ų82115.6 Ų115.657%0.57360%0.603SS**Hα-helixtrans-69.8-31.7170.1-56.30000111.5R513 I514 V515R513-S517 VanDerWaalsContact O-CB 3.32Å; R513-S517 WeakPolarHBondContact O-CB 3.34Å; R513-S517 PolarHBondContact O-N 2.87Å; R513-S517 PolarHBondContact O-OG 3.24Å; I514-S517 PolarHBondContact O-N 2.94Å; I514-S517 VanDerWaalsContact O-N 3.15Å; V515-S517 VanDerWaalsContact C-N 3.33Å; V515-S517 PolarHBondContact O-N 2.99Å
518V54.4Low53.7Low105 Ų105120 Ų12064%0.63662%0.618SS**Hα-helixtrans-80.2-32.3178176.40000112.4I514 V515 F516 S520I514-V518 WeakPolarHBondContact O-CG2 3.38Å; I514-V518 PolarHBondContact O-N 2.7Å; V515-V518 PolarHBondContact O-N 3.35Å; V515-V518 VanDerWaalsContact O-N 3.15Å; F516-V518 VanDerWaalsContact C-N 3.32Å; V518-S520 VanDerWaalsContact C-N 3.31Å; V518-S520 PolarHBondContact O-N 2.9Å
519T50.9Low50.8Low79 Ų79120 Ų12049%0.48563%0.632SS.*Hα-helixtrans-82.5-6.6179.351.30000114.3V515 F516 D521V515-T519 PolarHBondContact O-N 3.25Å; V515-T519 PolarHBondContact O-OG1 2.98Å; V515-T519 VanDerWaalsContact O-OG1 3.1Å; F516-T519 WeakPolarHBondContact CA-OG1 3.38Å; T519-D521 PolarHBondContact O-N 2.93Å
520S42.8Very low48.1Very low90 Ų90123.9 Ų123.963%0.62965%0.648SS**THydrogen-bonded Turntrans-69.9-9.5175-62.10000113.7F516 V518F516-S520 PolarHBondContact O-N 3.39Å; F516-S520 PolarHBondContact O-OG 3.19Å; V518-S520 VanDerWaalsContact C-N 3.31Å; V518-S520 PolarHBondContact O-N 2.9Å
521D36.8Very low45.6Very low142 Ų142123.7 Ų123.776%0.75965%0.654SS**THydrogen-bonded Turntrans-107.77.6-173.7-79.1-15.3000116.7T519T519-D521 PolarHBondContact O-N 2.93Å
522T36.9Very low43.1Very low121 Ų121125 Ų12574%0.74267%0.666SS**  trans-132.776.7174.655.90000113.4
523Q30.7Very low40.8Very low190 Ų190125.6 Ų125.689%0.88868%0.68SS**  trans-44.3155.8142.9-82.1177.610.800111.2
524C26.2Very low38.5Very low93 Ų93125.1 Ų125.163%0.62869%0.689SS**  cis178.4159.1-4.4-1760000105.8
525N28.6Very low36.4Very low120 Ų120125.6 Ų125.664%0.64270%0.697SS**  trans80.7103.9159.3-63.5-37.7000119.9
526T29.7Very low34.5Very low139 Ų139127.6 Ų127.685%0.85371%0.709SS**  169.697.2103.242.70000106.7
527K26.7Very low32.7Very low176 Ų176128 Ų12877%0.76572%0.717SS**  62112.666.9-82.9-175.6179.6170.90116.9
528K26.6Very low31.3Very low193 Ų193130.4 Ų130.484%0.83973%0.728SS**  trans82.6125.9152.8-61.8178175.2-174.90115.6
529T28.2Very low30Very low129 Ų129131 Ų13179%0.79173%0.733SS**  -168.112569.6-420000108.6
530L26.1Very low28.9Very low141 Ų141133.5 Ų133.574%0.73875%0.748SS**  38.1132.4114.7-102.473.1000114.6
531E28.2Very low28.1Very low155 Ų155135.9 Ų135.972%0.72475%0.754SS**  cis-174.1142.126.5-136.3160.9-147.300110.1
532T26.3Very low27.8Very low120 Ų120135.7 Ų135.774%0.73675%0.752SS**  trans41.7117.5146.746.80000123.4
533S28.7Very low27.6Very low106 Ų106137.5 Ų137.574%0.74176%0.758SS**  156.4122.691.8490000115.1
534N25.7Very low27.4Very low149 Ų149136.6 Ų136.680%0.79776%0.759SS**  trans57.9110.9135-65.9-4.9000124.7
535T24.7Very low27.4Very low110 Ų110137.1 Ų137.168%0.67576%0.764SS**  71.9116.7116-33.40000121.1
536T26.7Very low27.4Very low116 Ų116136.6 Ų136.671%0.71277%0.769SS**  153.1110.1129.342.20000107.2
537N25.4Very low27.2Very low133 Ų133136 Ų13671%0.71176%0.761SS**  116.414871-87.8-6.2000108.4
538T27.5Very low27.2Very low131 Ų131133.3 Ų133.380%0.80476%0.755SS**  trans74.3129.7168.567.30000115.7
539T27.3Very low27.3Very low119 Ų119130.3 Ų130.373%0.7375%0.748SS**  cis-167.9130.213.56.70000108.9
540T27.6Very low27.2Very low130 Ų130132.3 Ų132.380%0.79875%0.746SS**  trans43113141.320.50000121.6
541D25.6Very low27.3Very low141 Ų141131.4 Ų131.475%0.75474%0.742SS**  trans-59.9168.9156.8-62-56.4000115.5
542N29.6Very low27.2Very low137 Ų137130.1 Ų130.173%0.73374%0.74SS**  trans83.9103.2143.9-68.2-21.9000118.9
543N33.4Very low27.4Very low160 Ų160131.3 Ų131.386%0.85674%0.742SS**  -175.4108.395.6-89.4-25.8000110.4
544N26.6Very low27.2Very low171 Ų171132.9 Ų132.991%0.91474%0.742SS**  trans-140.4122.4163-116.4-8.9000105.4
545S26.7Very low27.4Very low104 Ų104132 Ų13273%0.72774%0.744SS**  trans154.7127.6137.1-163.30000111.6
546S27.8Very low27.6Very low108 Ų108131.8 Ų131.876%0.75574%0.743SS**  trans73150.2143.6-60.10000119
547N26Very low27.6Very low128 Ų128133.1 Ų133.168%0.68475%0.746SS**  cis178.6161.2-20.9-162.928.1000103.7
548D27.5Very low27.8Very low119 Ų119133.8 Ų133.864%0.63675%0.749SS**  trans89.5117.6153.7-59.8-42.8000122.1
549N27.9Very low27.9Very low130 Ų130132.3 Ų132.370%0.69574%0.744SS**  trans106.4112.2137.5-69-38.1000120.2
550K26.7Very low27.7Very low171 Ų171136.4 Ų136.474%0.74375%0.752SS**  62.6139126.2-69.3-177.6178.9-178.30117.7
551D27Very low27.8Very low122 Ų122135.3 Ų135.365%0.65275%0.747SS**  cis-165.815413-98.8-32.5000107
552N27.2Very low27.8Very low127 Ų127136 Ų13668%0.67975%0.749SS**  trans57.1103.3142.1-70.7-13.6000121.3
553N29.5Very low27.7Very low146 Ų146136.3 Ų136.378%0.78175%0.751SS**  157.612287.8-89-22.9000111.8
554N25.8Very low27.5Very low139 Ų139133.1 Ų133.174%0.74374%0.741SS**  trans-52.3150.4160.1-83.7-18.8000111.2
555P29.1Very low27.4Very low131 Ų131128.9 Ų128.985%0.85174%0.738SS**  -138.2119.990.628.3-9.8000113.7
556T27.8Very low27.6Very low104 Ų104129 Ų12964%0.63874%0.739SS**  trans-77.6155148.634.70000110.7
557D27.2Very low27.6Very low144 Ų144131.7 Ų131.777%0.7775%0.745SS**  trans7398.1164.8-72.3-16.5000119
558N30.7Very low27.8Very low147 Ų147132.9 Ų132.979%0.78675%0.75SS**  -170.6139.494.4-102.4-23.5000113.3
559S28.7Very low27.8Very low100 Ų100135.2 Ų135.270%0.69976%0.756SS**  trans-53.2134.6176.449.70000115.1
560F23.8Very low28Very low206 Ų206134.9 Ų134.990%0.90476%0.762SS**  trans-79.9127.7154.2-79.9-93000109.4
561P29Very low28.2Very low106 Ų106134.2 Ų134.269%0.68877%0.766SS**  -142.2123.9125.230.6-13.1000113.5
562I25.8Very low28.3Very low156 Ų156137.2 Ų137.280%0.878%0.776SS**  trans38.8112.1135.3-47.4170000117.2
563N27.7Very low28.6Very low144 Ų144138.6 Ų138.677%0.7778%0.783SS**  -171.4140.3114.6-146.11.7000115.2
564S28.7Very low28.7Very low93 Ų93136.4 Ų136.465%0.6578%0.779SS**  trans49.9119.4142.858.70000121.4
565G25.5Very low28.9Very low82 Ų82136.7 Ų136.785%0.84578%0.78SS**  trans-67.8157.4167.600000114.9
566S30.6Very low29Very low107 Ų107139 Ų13975%0.74878%0.78SS**  trans-130.8109.4161.554.30000108.2I568S566-I568 PolarHBondContact O-N 3.45Å
567N27.1Very low29.4Very low164 Ų164139.6 Ų139.688%0.87779%0.788SS**  trans-57.5111.5168.2-15711.2000109
568I29.8Very low29.7Very low153 Ų153142 Ų14279%0.78579%0.792SS**  trans-128.4124.3165.2-61.4-178.6000108S566S566-I568 PolarHBondContact O-N 3.45Å
569Q28.6Very low30.2Very low167 Ų167142.3 Ų142.378%0.7879%0.793SS**  trans-63.3155.9-168.4-75.4175.7-5300114.3N571Q569-N571 PolarHBondContact O-N 3.35Å
570P31.1Very low30.6Very low124 Ų124143 Ų14381%0.80579%0.789SS**  trans-68.9122.4172.629-32.1000109.9
571N32.3Very low31.8Very low157 Ų157140.7 Ų140.784%0.8479%0.785SS**  trans-90.3111.4173.5-127.78.9000108.5Q569 L573Q569-N571 PolarHBondContact O-N 3.35Å; N571-L573 PolarHBondContact O-N 2.95Å
572E28.6Very low32.6Very low184 Ų184141.2 Ų141.286%0.8678%0.782SS**  trans-58.2119.9165-66.9172152.400109
573L33.6Very low33.9Very low157 Ų157138.5 Ų138.582%0.82278%0.777SS**  trans-118.398.4161.2-90.9160.5000107.7N571N571-L573 PolarHBondContact O-N 2.95Å
574S30.8Very low35.2Very low99 Ų99136.8 Ų136.869%0.69277%0.768SS**  trans-28.7124.4152.955.70000112.3
575D29.2Very low36.4Very low145 Ų145138.3 Ų138.378%0.77577%0.765SS**  74.8105.897.2-160.919.4000112.2
576Q32.2Very low37.9Very low181 Ų181139.4 Ų139.485%0.84675%0.751SS**  trans157.497.7145.3-88.1173.724.100111.1
577S36.9Very low39.6Very low115 Ų115141 Ų14180%0.80475%0.747SS**  trans177.294.5130.357.90000109.2
578K32.7Very low41.5Very low196 Ų196138.4 Ų138.485%0.85273%0.729SS**  trans-64.2123.3147.8-87.2174.6169.3174.40106.8
579D41.3Very low43.5Very low152 Ų152135.1 Ų135.181%0.81371%0.713SS**  trans-154.8119.2143.5-92.8-32.1000108.9L581D579-L581 PolarHBondContact O-N 3.42Å
580D36.2Very low45.8Very low116 Ų116132.7 Ų132.762%0.6271%0.705SS**  trans-69.5118.3-176.5-54.7-61.6000110.9K1141D580-K1141 IonicContact OD2-NZ 2.8Å; D580-K1141 PolarHBondContact OD2-NZ 3.39Å
581L49.2Very low48Very low156 Ų156132.4 Ų132.482%0.81770%0.696SS**  trans-142.1116.8163.4-100.8142.3000110.5D579D579-L581 PolarHBondContact O-N 3.42Å
582D46.6Very low50.4Low117 Ų117132.2 Ų132.263%0.62668%0.684SS**  trans60.395158.3-80.1-22.7000121.4N584 H585D582-N584 PolarHBondContact O-N 2.94Å; D582-H585 PolarHBondContact O-N 3.2Å; D582-H585 VanDerWaalsContact O-N 3.09Å
583S52.2Low52.9Low99 Ų99127.2 Ų127.269%0.69266%0.662SS**Hα-helixtrans-48.5-13161.7-178.60000116
584N55Low55.2Low108 Ų108124.2 Ų124.258%0.57864%0.644SS**Hα-helixtrans-82.9-28.7178.3-165.14.4000112D582 N586 Q588D582-N584 PolarHBondContact O-N 2.94Å; N584-N586 VanDerWaalsContact C-N 3.29Å; N584-Q588 PolarHBondContact O-N 3.45Å
585H54.7Low57.9Low125 Ų125126.2 Ų126.258%0.57964%0.637SS**Hα-helixtrans-75.1-24.4175.2-142.550.7000111.7D582 Q588 L589D582-H585 PolarHBondContact O-N 3.2Å; D582-H585 VanDerWaalsContact O-N 3.09Å; H585-Q588 PolarHBondContact O-N 3.13Å; H585-L589 WeakPolarHBondContact O-CA 3.37Å; H585-L589 WeakPolarHBondContact O-CB 3.46Å; H585-L589 PolarHBondContact O-N 3.23Å
586N57.9Low60.6Low106 Ų106123.8 Ų123.857%0.56762%0.624SS**Hα-helixtrans-70.1-36.2178-73.4-18.7000113.2N584 L589 L590N584-N586 VanDerWaalsContact C-N 3.29Å; N586-L589 PolarHBondContact O-N 3.47Å; N586-L590 VanDerWaalsContact O-CB 3.31Å; N586-L590 WeakPolarHBondContact O-CB 3.42Å; N586-L590 PolarHBondContact O-N 2.93Å
587E64.9Low63.2Low140 Ų140117.9 Ų117.965%0.65460%0.6SS**Hα-helixtrans-70.4-41.7172.5-78.3-164.5163.500111.5L589 L590 D591E587-L589 VanDerWaalsContact C-N 3.27Å; E587-L589 PolarHBondContact O-N 3.49Å; E587-L590 WeakPolarHBondContact O-CB 3.34Å; E587-L590 PolarHBondContact O-N 2.92Å; E587-L590 VanDerWaalsContact O-N 3.09Å; E587-D591 PolarHBondContact O-N 3.22Å
588Q68.2Low65.6Low109 Ų109115.8 Ų115.851%0.50958%0.58SS.*Hα-helixtrans-62.9-35.6172.7-72.4-179.68.100112.3N584 H585 R592N584-Q588 PolarHBondContact O-N 3.45Å; H585-Q588 PolarHBondContact O-N 3.13Å; Q588-R592 WeakPolarHBondContact O-CB 3.48Å; Q588-R592 PolarHBondContact O-N 3.39Å
589L71.2Confident68.1Low84 Ų84109.5 Ų109.544%0.4456%0.556SS.*Hα-helixtrans-69.2-37.2174.1-169.973.9000110.3H585 N586 E587 R592 I593H585-L589 WeakPolarHBondContact O-CA 3.37Å; H585-L589 WeakPolarHBondContact O-CB 3.46Å; H585-L589 PolarHBondContact O-N 3.23Å; N586-L589 PolarHBondContact O-N 3.47Å; E587-L589 VanDerWaalsContact C-N 3.27Å; E587-L589 PolarHBondContact O-N 3.49Å; L589-R592 PolarHBondContact O-N 3.03Å; L589-I593 HydrophobicContact CD2-CD1 4.28Å; L589-I593 HydrophobicContact CG-CD1 3.87Å; L589-I593 HydrophobicContact CG-CG1 4.39Å; L589-I593 VanDerWaalsContact O-CB 3.24Å; L589-I593 WeakPolarHBondContact O-CB 3.37Å; L589-I593 WeakPolarHBondContact O-CD1 3.49Å; L589-I593 WeakPolarHBondContact O-CG1 3.19Å; L589-I593 PolarHBondContact O-N 2.92Å
590L77.2Confident70.2Confident116 Ų116109.7 Ų109.761%0.60755%0.546SS*.Hα-helixtrans-67.3-42.4176.3-15571000111.1N586 E587 I593 Q594N586-L590 VanDerWaalsContact O-CB 3.31Å; N586-L590 WeakPolarHBondContact O-CB 3.42Å; N586-L590 PolarHBondContact O-N 2.93Å; E587-L590 WeakPolarHBondContact O-CB 3.34Å; E587-L590 PolarHBondContact O-N 2.92Å; E587-L590 VanDerWaalsContact O-N 3.09Å; L590-I593 PolarHBondContact O-N 3.22Å; L590-Q594 VanDerWaalsContact O-CB 3.23Å; L590-Q594 WeakPolarHBondContact O-CB 3.19Å; L590-Q594 PolarHBondContact O-N 2.81Å
591D78Confident72.5Confident118 Ų118109.5 Ų109.563%0.63154%0.54SS*.Hα-helixtrans-65.1-39.9172.6-79.7-13.9000111.7E587 Q594 Y595E587-D591 PolarHBondContact O-N 3.22Å; D591-Q594 PolarHBondContact O-N 2.73Å; D591-Y595 VanDerWaalsContact O-CB 3.32Å; D591-Y595 WeakPolarHBondContact O-CB 3.23Å; D591-Y595 PolarHBondContact O-N 2.91Å
592R80.8Confident74.2Confident153 Ų153106.6 Ų106.658%0.57752%0.522SS*.Hα-helixtrans-65.6-41.5175.2-171.372.9173.1165.21.6111.3Q588 L589 L596Q588-R592 WeakPolarHBondContact O-CB 3.48Å; Q588-R592 PolarHBondContact O-N 3.39Å; L589-R592 PolarHBondContact O-N 3.03Å; R592-L596 HydrophobicContact CG-CD1 4.34Å; R592-L596 WeakPolarHBondContact O-CB 3.34Å; R592-L596 WeakPolarHBondContact O-CG 3.1Å; R592-L596 PolarHBondContact O-N 2.74Å
593I81.5Confident75.9Confident80 Ų80105.2 Ų105.241%0.4151%0.514SS..Hα-helixtrans-65.7-44.1174.9-73.5165.5000109.3L589 L590 Y595 L596 V597L589-I593 HydrophobicContact CD2-CD1 4.28Å; L589-I593 HydrophobicContact CG-CD1 3.87Å; L589-I593 HydrophobicContact CG-CG1 4.39Å; L589-I593 VanDerWaalsContact O-CB 3.24Å; L589-I593 WeakPolarHBondContact O-CB 3.37Å; L589-I593 WeakPolarHBondContact O-CD1 3.49Å; L589-I593 WeakPolarHBondContact O-CG1 3.19Å; L589-I593 PolarHBondContact O-N 2.92Å; L590-I593 PolarHBondContact O-N 3.22Å; I593-Y595 VanDerWaalsContact C-N 3.35Å; I593-Y595 PolarHBondContact O-N 2.88Å; I593-L596 CarbonylContact O-C 3.58Å; I593-L596 PolarHBondContact O-N 3.44Å; I593-V597 HydrophobicContact CG2-CG2 4.15Å; I593-V597 WeakPolarHBondContact O-CB 3.5Å; I593-V597 WeakPolarHBondContact O-CG2 3.42Å; I593-V597 PolarHBondContact O-N 3.47Å
594Q83.1Confident77.4Confident93 Ų93106.4 Ų106.444%0.43551%0.506SS..Hα-helixtrans-63-43.4178.6-172.556.348.300110.9L590 D591 V597 D598L590-Q594 VanDerWaalsContact O-CB 3.23Å; L590-Q594 WeakPolarHBondContact O-CB 3.19Å; L590-Q594 PolarHBondContact O-N 2.81Å; D591-Q594 PolarHBondContact O-N 2.73Å; Q594-V597 WeakPolarHBondContact O-CB 3.39Å; Q594-V597 PolarHBondContact O-N 3.19Å; Q594-D598 PolarHBondContact NE2-OD1 2.91Å; Q594-D598 PolarHBondContact NE2-OD2 2.92Å; Q594-D598 PolarHBondContact O-N 3.21Å
595Y86.4Confident78.5Confident141 Ų141106.9 Ų106.955%0.55351%0.505SS*.Hα-helixtrans-60-47.9172.6-173.5-92000111.6D591 I593 V597 D598 D599D591-Y595 VanDerWaalsContact O-CB 3.32Å; D591-Y595 WeakPolarHBondContact O-CB 3.23Å; D591-Y595 PolarHBondContact O-N 2.91Å; I593-Y595 VanDerWaalsContact C-N 3.35Å; I593-Y595 PolarHBondContact O-N 2.88Å; Y595-V597 VanDerWaalsContact C-N 3.3Å; Y595-V597 PolarHBondContact O-N 3.42Å; Y595-D598 PolarHBondContact O-N 3.33Å; Y595-D599 WeakPolarHBondContact O-CB 3.43Å; Y595-D599 PolarHBondContact O-N 3.04Å
596L85.9Confident79.6Confident94 Ų94106.7 Ų106.749%0.49250%0.502SS..Hα-helixtrans-64.4-33.2177.1-73.1170.7000112.7R592 I593 Y600R592-L596 HydrophobicContact CG-CD1 4.34Å; R592-L596 WeakPolarHBondContact O-CB 3.34Å; R592-L596 WeakPolarHBondContact O-CG 3.1Å; R592-L596 PolarHBondContact O-N 2.74Å; I593-L596 CarbonylContact O-C 3.58Å; I593-L596 PolarHBondContact O-N 3.44Å; L596-Y600 VanDerWaalsContact O-CB 3.23Å; L596-Y600 WeakPolarHBondContact O-CB 3.4Å; L596-Y600 PolarHBondContact O-N 3.23Å
597V87.6Confident80.5Confident57 Ų57106.6 Ų106.635%0.34550%0.501SS..Hα-helixtrans-67.2-42.9174.4163.80000110.2I593 Q594 Y595 Y600 K601I593-V597 HydrophobicContact CG2-CG2 4.15Å; I593-V597 WeakPolarHBondContact O-CB 3.5Å; I593-V597 WeakPolarHBondContact O-CG2 3.42Å; I593-V597 PolarHBondContact O-N 3.47Å; Q594-V597 WeakPolarHBondContact O-CB 3.39Å; Q594-V597 PolarHBondContact O-N 3.19Å; Y595-V597 VanDerWaalsContact C-N 3.3Å; Y595-V597 PolarHBondContact O-N 3.42Å; V597-Y600 PolarHBondContact O-N 3.18Å; V597-K601 HydrophobicContact CG1-CD 4.48Å; V597-K601 VanDerWaalsContact O-CG 3.29Å; V597-K601 WeakPolarHBondContact O-CG 3.5Å; V597-K601 PolarHBondContact O-N 3.1Å
598D87.9Confident81.1Confident72 Ų72105.3 Ų105.339%0.38550%0.495SS..Hα-helixtrans-73.4-33.7178.4-66.6-30.4000111.8Q594 Y595 K601 H602Q594-D598 PolarHBondContact NE2-OD1 2.91Å; Q594-D598 PolarHBondContact NE2-OD2 2.92Å; Q594-D598 PolarHBondContact O-N 3.21Å; Y595-D598 PolarHBondContact O-N 3.33Å; D598-K601 PolarHBondContact O-N 3.18Å; D598-K601 IonicContact OD1-NZ 2.72Å; D598-K601 PolarHBondContact OD1-NZ 3.34Å; D598-H602 WeakPolarHBondContact O-CB 3.48Å; D598-H602 PolarHBondContact O-N 3.39Å
599D85.1Confident81.4Confident63 Ų63104.9 Ų104.934%0.33749%0.494SS..Hα-helixtrans-66.1-41.6170.9-125.816.1000111.3Y595 H602 I603Y595-D599 WeakPolarHBondContact O-CB 3.43Å; Y595-D599 PolarHBondContact O-N 3.04Å; D599-H602 PolarHBondContact O-N 2.86Å; D599-I603 WeakPolarHBondContact O-CB 3.36Å; D599-I603 VanDerWaalsContact O-CG1 3.3Å; D599-I603 WeakPolarHBondContact O-CG1 3.49Å; D599-I603 PolarHBondContact O-N 3.32Å
600Y84.8Confident81.4Confident157 Ų157105.9 Ų105.962%0.61650%0.5SS*.Hα-helixtrans-64.1-41.2173.2-179.6-100.5000111.8L596 V597 H602 I603 K604L596-Y600 VanDerWaalsContact O-CB 3.23Å; L596-Y600 WeakPolarHBondContact O-CB 3.4Å; L596-Y600 PolarHBondContact O-N 3.23Å; V597-Y600 PolarHBondContact O-N 3.18Å; Y600-H602 VanDerWaalsContact C-N 3.33Å; Y600-I603 PolarHBondContact O-N 3.3Å; Y600-K604 HydrophobicContact CE1-CD 4.48Å; Y600-K604 WeakPolarHBondContact O-CB 3.3Å; Y600-K604 PolarHBondContact O-N 3.47Å
601K85Confident81.3Confident111 Ų111104.3 Ų104.348%0.48349%0.492SS..Hα-helixtrans-61.8-42.2172.6-74.5173.1-163.3156.50111V597 D598 K604 H605V597-K601 HydrophobicContact CG1-CD 4.48Å; V597-K601 VanDerWaalsContact O-CG 3.29Å; V597-K601 WeakPolarHBondContact O-CG 3.5Å; V597-K601 PolarHBondContact O-N 3.1Å; D598-K601 PolarHBondContact O-N 3.18Å; D598-K601 IonicContact OD1-NZ 2.72Å; D598-K601 PolarHBondContact OD1-NZ 3.34Å; K601-K604 PolarHBondContact O-N 3.4Å; K601-H605 WeakPolarHBondContact O-CB 3.28Å; K601-H605 PolarHBondContact O-N 3.49Å
602H84.1Confident81.3Confident96 Ų96101.5 Ų101.544%0.44448%0.479SS..Hα-helixtrans-65.3-44.3178.5-172.473.7000111.8D598 D599 Y600 H605 K606D598-H602 WeakPolarHBondContact O-CB 3.48Å; D598-H602 PolarHBondContact O-N 3.39Å; D599-H602 PolarHBondContact O-N 2.86Å; Y600-H602 VanDerWaalsContact C-N 3.33Å; H602-H605 PolarHBondContact O-N 3.3Å; H602-K606 WeakPolarHBondContact NE2-CE 3.44Å; H602-K606 PolarHBondContact NE2-NZ 2.94Å; H602-K606 PolarHBondContact O-N 2.95Å
603I81.5Confident80.9Confident88 Ų8898.1 Ų98.145%0.45147%0.472SS..Hα-helixtrans-63-43.2174-71.6164.5000110.6D599 Y600 H605 K606 L607D599-I603 WeakPolarHBondContact O-CB 3.36Å; D599-I603 VanDerWaalsContact O-CG1 3.3Å; D599-I603 WeakPolarHBondContact O-CG1 3.49Å; D599-I603 PolarHBondContact O-N 3.32Å; Y600-I603 PolarHBondContact O-N 3.3Å; I603-H605 VanDerWaalsContact C-N 3.33Å; I603-H605 PolarHBondContact O-N 2.89Å; I603-K606 WeakPolarHBondContact O-CB 3.45Å; I603-K606 PolarHBondContact O-N 3.4Å; I603-L607 HydrophobicContact CG2-CD1 4.22Å; I603-L607 WeakPolarHBondContact O-CB 3.48Å; I603-L607 PolarHBondContact O-N 2.94Å
604K83.9Confident80.4Confident123 Ų12399.1 Ų99.154%0.53548%0.475SS..Hα-helixtrans-61-42.4175.5-174.3177180-1790111.3Y600 K601 L607 Q608Y600-K604 HydrophobicContact CE1-CD 4.48Å; Y600-K604 WeakPolarHBondContact O-CB 3.3Å; Y600-K604 PolarHBondContact O-N 3.47Å; K601-K604 PolarHBondContact O-N 3.4Å; K604-L607 PolarHBondContact O-N 3.07Å; K604-Q608 WeakPolarHBondContact O-CB 3.45Å; K604-Q608 PolarHBondContact O-N 3.24Å
605H79.1Confident80Confident119 Ų11999.2 Ų99.255%0.55148%0.478SS*.Hα-helixtrans-65.1-40.2175.8-132.1-76.9000111.9K601 H602 I603 Q608 M609K601-H605 WeakPolarHBondContact O-CB 3.28Å; K601-H605 PolarHBondContact O-N 3.49Å; H602-H605 PolarHBondContact O-N 3.3Å; I603-H605 VanDerWaalsContact C-N 3.33Å; I603-H605 PolarHBondContact O-N 2.89Å; H605-Q608 PolarHBondContact O-N 3.03Å; H605-M609 WeakPolarHBondContact O-CB 3.22Å; H605-M609 WeakPolarHBondContact O-CG 3.47Å; H605-M609 PolarHBondContact O-N 3.5Å
606K77.5Confident79.5Confident121 Ų12198.1 Ų98.153%0.52648%0.478SS..Hα-helixtrans-63.3-41.7172.8-84.8175.9167161.70112.2H602 I603 Q608 M609 N610H602-K606 WeakPolarHBondContact NE2-CE 3.44Å; H602-K606 PolarHBondContact NE2-NZ 2.94Å; H602-K606 PolarHBondContact O-N 2.95Å; I603-K606 WeakPolarHBondContact O-CB 3.45Å; I603-K606 PolarHBondContact O-N 3.4Å; K606-Q608 VanDerWaalsContact C-N 3.34Å; K606-M609 PolarHBondContact O-N 2.89Å; K606-N610 WeakPolarHBondContact O-CB 3.27Å; K606-N610 PolarHBondContact O-N 3.47Å
607L76.6Confident78.9Confident104 Ų10497.6 Ų97.655%0.54548%0.475SS..Hα-helixtrans-64.8-40.4175.7-121.9121000111.2I603 K604 N610 N611I603-L607 HydrophobicContact CG2-CD1 4.22Å; I603-L607 WeakPolarHBondContact O-CB 3.48Å; I603-L607 PolarHBondContact O-N 2.94Å; K604-L607 PolarHBondContact O-N 3.07Å; L607-N610 PolarHBondContact O-N 3.48Å; L607-N611 WeakPolarHBondContact O-CB 3.32Å; L607-N611 VanDerWaalsContact O-CG 3.23Å; L607-N611 PolarHBondContact O-N 2.92Å; L607-N611 PolarHBondContact O-OD1 3.49Å
608Q77.5Confident78.1Confident112 Ų112100.2 Ų100.252%0.52348%0.482SS..Hα-helixtrans-67.4-39.9177.2-145.5169.81.500111.5K604 H605 K606 N611 T612K604-Q608 WeakPolarHBondContact O-CB 3.45Å; K604-Q608 PolarHBondContact O-N 3.24Å; H605-Q608 PolarHBondContact O-N 3.03Å; K606-Q608 VanDerWaalsContact C-N 3.34Å; Q608-N611 PolarHBondContact O-N 3.34Å; Q608-T612 PolarHBondContact O-N 2.87Å; Q608-T612 PolarHBondContact O-OG1 3.39Å
609M74.6Confident77.5Confident101 Ų101102.7 Ų102.750%0.49849%0.491SS..Hα-helixtrans-64.3-44.3171.6-75.4-71.3105.600112.1H605 K606 N611 T612 I613H605-M609 WeakPolarHBondContact O-CB 3.22Å; H605-M609 WeakPolarHBondContact O-CG 3.47Å; H605-M609 PolarHBondContact O-N 3.5Å; K606-M609 PolarHBondContact O-N 2.89Å; M609-N611 PolarHBondContact O-N 3.47Å; M609-T612 WeakPolarHBondContact O-CB 3.25Å; M609-T612 PolarHBondContact O-N 3.12Å; M609-T612 VanDerWaalsContact O-N 3.13Å; M609-I613 VanDerWaalsContact O-CG1 3.29Å; M609-I613 WeakPolarHBondContact O-CG1 3.32Å; M609-I613 PolarHBondContact O-N 2.78Å
610N72.1Confident76.9Confident104 Ų104105.2 Ų105.256%0.55650%0.501SS*.Hα-helixtrans-62.6-41176.4-81.8-0.6000111.9K606 L607 T612 I613 E614K606-N610 WeakPolarHBondContact O-CB 3.27Å; K606-N610 PolarHBondContact O-N 3.47Å; L607-N610 PolarHBondContact O-N 3.48Å; N610-T612 VanDerWaalsContact C-N 3.31Å; N610-T612 PolarHBondContact O-N 3.11Å; N610-I613 PolarHBondContact O-N 2.99Å; N610-E614 WeakPolarHBondContact O-CB 3.26Å; N610-E614 PolarHBondContact O-N 3.5Å
611N74.8Confident76.3Confident83 Ų83102 Ų10244%0.44450%0.495SS..Hα-helixtrans-63.1-38.9173.6-70.3-10.3000111.5L607 Q608 M609 E614 D615L607-N611 WeakPolarHBondContact O-CB 3.32Å; L607-N611 VanDerWaalsContact O-CG 3.23Å; L607-N611 PolarHBondContact O-N 2.92Å; L607-N611 PolarHBondContact O-OD1 3.49Å; Q608-N611 PolarHBondContact O-N 3.34Å; M609-N611 PolarHBondContact O-N 3.47Å; N611-E614 PolarHBondContact O-N 2.91Å; N611-D615 WeakPolarHBondContact O-CB 3.37Å; N611-D615 PolarHBondContact O-N 3.28Å
612T76.8Confident75.8Confident59 Ų59102.2 Ų102.236%0.36250%0.496SS..Hα-helixtrans-65.8-40.4176.3-47.80000111.5Q608 M609 N610 D615 Q616Q608-T612 PolarHBondContact O-N 2.87Å; Q608-T612 PolarHBondContact O-OG1 3.39Å; M609-T612 WeakPolarHBondContact O-CB 3.25Å; M609-T612 PolarHBondContact O-N 3.12Å; M609-T612 VanDerWaalsContact O-N 3.13Å; N610-T612 VanDerWaalsContact C-N 3.31Å; N610-T612 PolarHBondContact O-N 3.11Å; T612-D615 PolarHBondContact O-N 2.86Å; T612-Q616 WeakPolarHBondContact O-CB 3.44Å; T612-Q616 VanDerWaalsContact O-CG 3.29Å; T612-Q616 WeakPolarHBondContact O-CG 3.42Å; T612-Q616 PolarHBondContact O-N 3.28Å
613I74Confident75.3Confident82 Ų82105 Ų10542%0.42151%0.506SS..Hα-helixtrans-65.1-42.4174.3-67.8164.7000110.1M609 N610 D615 Q616 I617M609-I613 VanDerWaalsContact O-CG1 3.29Å; M609-I613 WeakPolarHBondContact O-CG1 3.32Å; M609-I613 PolarHBondContact O-N 2.78Å; N610-I613 PolarHBondContact O-N 2.99Å; I613-D615 VanDerWaalsContact C-N 3.34Å; I613-D615 PolarHBondContact O-N 3.22Å; I613-Q616 PolarHBondContact O-N 3.45Å; I613-I617 HydrophobicContact CG2-CD1 3.78Å; I613-I617 HydrophobicContact CG2-CG1 4.35Å; I613-I617 VanDerWaalsContact O-CG1 3.28Å; I613-I617 WeakPolarHBondContact O-CG1 3.25Å; I613-I617 PolarHBondContact O-N 3.44Å
614E71.3Confident75Confident101 Ų101107.2 Ų107.247%0.47252%0.515SS..Hα-helixtrans-65.5-37.9179-148.1-170.1-130.200111.8N610 N611 I617 K618N610-E614 WeakPolarHBondContact O-CB 3.26Å; N610-E614 PolarHBondContact O-N 3.5Å; N611-E614 PolarHBondContact O-N 2.91Å; E614-I617 PolarHBondContact O-N 2.72Å; E614-K618 WeakPolarHBondContact O-CB 3.39Å; E614-K618 VanDerWaalsContact O-CG 3.26Å; E614-K618 WeakPolarHBondContact O-CG 3.38Å; E614-K618 PolarHBondContact O-N 3.29Å; E614-K618 IonicContact OE2-NZ 2.65Å; E614-K618 PolarHBondContact OE2-NZ 3.34Å
615D74Confident74.4Confident95 Ų95104.4 Ų104.451%0.50851%0.505SS..Hα-helixtrans-68.5-38.8172.9-73.9-20.7000112N611 T612 I613 K618 Q619N611-D615 WeakPolarHBondContact O-CB 3.37Å; N611-D615 PolarHBondContact O-N 3.28Å; T612-D615 PolarHBondContact O-N 2.86Å; I613-D615 VanDerWaalsContact C-N 3.34Å; I613-D615 PolarHBondContact O-N 3.22Å; D615-K618 PolarHBondContact O-N 2.91Å; D615-Q619 VanDerWaalsContact O-CB 3.31Å; D615-Q619 WeakPolarHBondContact O-CB 3.47Å; D615-Q619 PolarHBondContact O-N 3.42Å
616Q74.7Confident74.2Confident118 Ų118101.7 Ų101.755%0.55150%0.495SS*.Hα-helixtrans-62.3-45.5172.4-77.4175.97.200111.6T612 I613 K618 Q619 E620T612-Q616 WeakPolarHBondContact O-CB 3.44Å; T612-Q616 VanDerWaalsContact O-CG 3.29Å; T612-Q616 WeakPolarHBondContact O-CG 3.42Å; T612-Q616 PolarHBondContact O-N 3.28Å; I613-Q616 PolarHBondContact O-N 3.45Å; Q616-K618 PolarHBondContact O-N 2.85Å; Q616-Q619 CarbonylContact O-C 3.57Å; Q616-Q619 PolarHBondContact O-N 3.42Å; Q616-Q619 VanDerWaalsContact O-N 3.15Å; Q616-E620 WeakPolarHBondContact O-CB 3.49Å; Q616-E620 PolarHBondContact O-N 2.86Å
617I73.3Confident74.1Confident83 Ų8397.5 Ų97.543%0.42649%0.486SS..Hα-helixtrans-62.6-43.6176.4-69.1167.3000110.6I613 E614 Q619 E620 N621I613-I617 HydrophobicContact CG2-CD1 3.78Å; I613-I617 HydrophobicContact CG2-CG1 4.35Å; I613-I617 VanDerWaalsContact O-CG1 3.28Å; I613-I617 WeakPolarHBondContact O-CG1 3.25Å; I613-I617 PolarHBondContact O-N 3.44Å; E614-I617 PolarHBondContact O-N 2.72Å; I617-Q619 VanDerWaalsContact C-N 3.27Å; I617-Q619 PolarHBondContact O-N 3.41Å; I617-E620 PolarHBondContact O-N 2.88Å; I617-N621 VanDerWaalsContact O-CB 3.27Å; I617-N621 WeakPolarHBondContact O-CB 3.42Å; I617-N621 PolarHBondContact O-N 3.26Å; I617-N621 PolarHBondContact O-ND2 2.84Å
618K71Confident74.1Confident113 Ų11398.2 Ų98.249%0.49149%0.485SS..Hα-helixtrans-61-37.3175-74.5168-166.6156.10111.6E614 D615 Q616 K622E614-K618 WeakPolarHBondContact O-CB 3.39Å; E614-K618 VanDerWaalsContact O-CG 3.26Å; E614-K618 WeakPolarHBondContact O-CG 3.38Å; E614-K618 PolarHBondContact O-N 3.29Å; E614-K618 IonicContact OE2-NZ 2.65Å; E614-K618 PolarHBondContact OE2-NZ 3.34Å; D615-K618 PolarHBondContact O-N 2.91Å; Q616-K618 PolarHBondContact O-N 2.85Å; K618-K622 WeakPolarHBondContact O-CB 3.43Å; K618-K622 PolarHBondContact O-N 3.3Å; K618-K622 VanDerWaalsContact O-N 3.07Å
619Q75Confident74Confident124 Ų12493.1 Ų93.158%0.57946%0.461SS*.Hα-helixtrans-77.8-34-179.8-163.1157.614.700112.9D615 Q616 I617 K622 K623D615-Q619 VanDerWaalsContact O-CB 3.31Å; D615-Q619 WeakPolarHBondContact O-CB 3.47Å; D615-Q619 PolarHBondContact O-N 3.42Å; Q616-Q619 CarbonylContact O-C 3.57Å; Q616-Q619 PolarHBondContact O-N 3.42Å; Q616-Q619 VanDerWaalsContact O-N 3.15Å; I617-Q619 VanDerWaalsContact C-N 3.27Å; I617-Q619 PolarHBondContact O-N 3.41Å; Q619-K622 PolarHBondContact O-N 2.95Å; Q619-K623 WeakPolarHBondContact O-CG 3.2Å; Q619-K623 PolarHBondContact O-N 3.2Å
620E74Confident74Confident116 Ų11694.5 Ų94.554%0.54247%0.466SS..Hα-helixtrans-68.9-47.5173.3-166.1164.7-147.100110.7Q616 I617 K622 K623 E624Q616-E620 WeakPolarHBondContact O-CB 3.49Å; Q616-E620 PolarHBondContact O-N 2.86Å; I617-E620 PolarHBondContact O-N 2.88Å; E620-K622 PolarHBondContact O-N 2.91Å; E620-K623 WeakPolarHBondContact O-CA 3.45Å; E620-K623 WeakPolarHBondContact O-CB 3.21Å; E620-K623 PolarHBondContact O-N 2.89Å; E620-E624 PolarHBondContact O-N 2.95Å
621N72.5Confident74.2Confident90 Ų9093.8 Ų93.848%0.48147%0.466SS..Hα-helixtrans-57.5-36.3171.8-72-19.2000112I617 L625I617-N621 VanDerWaalsContact O-CB 3.27Å; I617-N621 WeakPolarHBondContact O-CB 3.42Å; I617-N621 PolarHBondContact O-N 3.26Å; I617-N621 PolarHBondContact O-ND2 2.84Å; N621-L625 VanDerWaalsContact O-CB 3.23Å; N621-L625 WeakPolarHBondContact O-CB 3.5Å; N621-L625 PolarHBondContact O-N 3.37Å
622K73.4Confident74.3Confident115 Ų11593 Ų9350%0.546%0.457SS..Hα-helixtrans-66.4-40.4174-171.7178.5179.5-179.40111.9K618 Q619 E620 D626 I667K618-K622 WeakPolarHBondContact O-CB 3.43Å; K618-K622 PolarHBondContact O-N 3.3Å; K618-K622 VanDerWaalsContact O-N 3.07Å; Q619-K622 PolarHBondContact O-N 2.95Å; E620-K622 PolarHBondContact O-N 2.91Å; K622-D626 WeakPolarHBondContact O-CB 3.42Å; K622-D626 PolarHBondContact O-N 2.99Å; K622-I667 HydrophobicContact CG-CD1 4.37Å
623K74.5Confident74Confident155 Ų15593.9 Ų93.967%0.67446%0.458SS*.Hα-helixtrans-68.1-45.3176.3-76.5-176.6-178.4179.10112.3Q619 E620 L625 D626 G627Q619-K623 WeakPolarHBondContact O-CG 3.2Å; Q619-K623 PolarHBondContact O-N 3.2Å; E620-K623 WeakPolarHBondContact O-CA 3.45Å; E620-K623 WeakPolarHBondContact O-CB 3.21Å; E620-K623 PolarHBondContact O-N 2.89Å; K623-L625 VanDerWaalsContact C-N 3.28Å; K623-L625 PolarHBondContact O-N 3.03Å; K623-D626 PolarHBondContact O-N 3.42Å; K623-G627 PolarHBondContact O-N 3.17Å
624E74.8Confident73.9Confident133 Ų13395.1 Ų95.162%0.62146%0.463SS*.Hα-helixtrans-61.1-40.1176.9-71.8-170.2163.400111.2E620 G627 F628E620-E624 PolarHBondContact O-N 2.95Å; E624-G627 PolarHBondContact O-N 2.88Å; E624-F628 PolarHBondContact O-N 3.47Å
625L71.7Confident73.7Confident64 Ų6492.6 Ų92.634%0.33546%0.459SS..Hα-helixtrans-74.4-38.4179-170.256.5000113.3N621 K623 G627 F628 I629 I667N621-L625 VanDerWaalsContact O-CB 3.23Å; N621-L625 WeakPolarHBondContact O-CB 3.5Å; N621-L625 PolarHBondContact O-N 3.37Å; K623-L625 VanDerWaalsContact C-N 3.28Å; K623-L625 PolarHBondContact O-N 3.03Å; L625-G627 VanDerWaalsContact C-N 3.27Å; L625-G627 PolarHBondContact O-N 3.14Å; L625-F628 HydrophobicContact CD1-CB 4.46Å; L625-F628 HydrophobicContact CD1-CD1 4.43Å; L625-F628 PolarHBondContact O-N 3.28Å; L625-I629 VanDerWaalsContact O-CG1 3.31Å; L625-I629 WeakPolarHBondContact O-CG1 3.24Å; L625-I629 PolarHBondContact O-N 3Å; L625-I667 HydrophobicContact CD2-CG2 3.44Å; L625-I667 VanDerWaalsContact CD2-CG2 3.44Å; L625-I667 HydrophobicContact CG-CG2 4.18Å
626D75.2Confident73.2Confident63 Ų6390.3 Ų90.334%0.33745%0.445SS..Hα-helixtrans-62.7-36.9169.8-95-25.5000110.7K622 K623 I629 H630 R670K622-D626 WeakPolarHBondContact O-CB 3.42Å; K622-D626 PolarHBondContact O-N 2.99Å; K623-D626 PolarHBondContact O-N 3.42Å; D626-I629 PolarHBondContact O-N 3.1Å; D626-H630 WeakPolarHBondContact O-CB 3.36Å; D626-H630 PolarHBondContact O-N 3.43Å; D626-R670 IonicContact OD1-CZ 2.79Å; D626-R670 IonicContact OD1-NH1 2.83Å; D626-R670 PolarHBondContact OD1-NH1 3.23Å; D626-R670 VanDerWaalsContact OD1-NH1 3.11Å
627G75.1Confident72.8Confident33 Ų3390.7 Ų90.734%0.3445%0.447SS..Hα-helixtrans-62.3-45.6171.700000112.4K623 E624 L625 I629 H630 V631K623-G627 PolarHBondContact O-N 3.17Å; E624-G627 PolarHBondContact O-N 2.88Å; L625-G627 VanDerWaalsContact C-N 3.27Å; L625-G627 PolarHBondContact O-N 3.14Å; G627-I629 PolarHBondContact O-N 2.73Å; G627-H630 PolarHBondContact O-N 3.45Å; G627-V631 WeakPolarHBondContact O-CG2 3.28Å; G627-V631 PolarHBondContact O-N 2.96Å
628F76.1Confident72.3Confident118 Ų11892.8 Ų92.852%0.51846%0.459SS..Hα-helixtrans-61.7-42.4175.3-178.1-93.7000112.1E624 L625 H630 V631 Y632E624-F628 PolarHBondContact O-N 3.47Å; L625-F628 HydrophobicContact CD1-CB 4.46Å; L625-F628 HydrophobicContact CD1-CD1 4.43Å; L625-F628 PolarHBondContact O-N 3.28Å; F628-H630 VanDerWaalsContact C-N 3.32Å; F628-H630 PolarHBondContact O-N 3.34Å; F628-V631 PolarHBondContact O-N 3.37Å; F628-Y632 VanDerWaalsContact O-CB 3.31Å; F628-Y632 WeakPolarHBondContact O-CB 3.12Å; F628-Y632 PolarHBondContact O-N 3.31Å
629I74.7Confident71.5Confident6 Ų691.2 Ų91.23%0.03145%0.454CS..Hα-helixtrans-60.8-43.1175.1-71168.3000110.5L625 D626 G627 Y632 I633 L671 I674L625-I629 VanDerWaalsContact O-CG1 3.31Å; L625-I629 WeakPolarHBondContact O-CG1 3.24Å; L625-I629 PolarHBondContact O-N 3Å; D626-I629 PolarHBondContact O-N 3.1Å; G627-I629 PolarHBondContact O-N 2.73Å; I629-Y632 PolarHBondContact O-N 2.67Å; I629-I633 HydrophobicContact CG2-CD1 3.81Å; I629-I633 HydrophobicContact CG2-CG1 4.48Å; I629-I633 VanDerWaalsContact O-CG1 3.28Å; I629-I633 WeakPolarHBondContact O-CG1 3.46Å; I629-I633 PolarHBondContact O-N 2.7Å; I629-L671 HydrophobicContact CD1-CD1 4.27Å; I629-L671 HydrophobicContact CG1-CD1 3.83Å; I629-I674 HydrophobicContact CG2-CD1 3.56Å
630H75.7Confident70.6Confident129 Ų12992 Ų9260%0.59746%0.456SS*.Hα-helixtrans-64.3-45.5178.2-164-62.4000111.9D626 G627 F628 Y632 I633 E634D626-H630 WeakPolarHBondContact O-CB 3.36Å; D626-H630 PolarHBondContact O-N 3.43Å; G627-H630 PolarHBondContact O-N 3.45Å; F628-H630 VanDerWaalsContact C-N 3.32Å; F628-H630 PolarHBondContact O-N 3.34Å; H630-Y632 VanDerWaalsContact C-N 3.32Å; H630-Y632 PolarHBondContact O-N 3.41Å; H630-I633 PolarHBondContact O-N 3.42Å; H630-E634 WeakPolarHBondContact O-CB 3.08Å; H630-E634 PolarHBondContact O-N 2.99Å
631V76.2Confident69.6Low90 Ų9093.8 Ų93.855%0.54547%0.469SS..Hα-helixtrans-64.3-38.5176.7172.70000111.1G627 F628 E634 A635G627-V631 WeakPolarHBondContact O-CG2 3.28Å; G627-V631 PolarHBondContact O-N 2.96Å; F628-V631 PolarHBondContact O-N 3.37Å; V631-E634 PolarHBondContact O-N 3.42Å; V631-A635 VanDerWaalsContact O-CB 3.24Å; V631-A635 WeakPolarHBondContact O-CB 3.32Å; V631-A635 PolarHBondContact O-N 2.78Å
632Y75.8Confident68.6Low66 Ų6693.5 Ų93.526%0.25947%0.471SS..Hα-helixtrans-63-49.7175.9-175.4-93.7000111F628 I629 H630 E634 A635 Q636 I674 L675 D678F628-Y632 VanDerWaalsContact O-CB 3.31Å; F628-Y632 WeakPolarHBondContact O-CB 3.12Å; F628-Y632 PolarHBondContact O-N 3.31Å; I629-Y632 PolarHBondContact O-N 2.67Å; H630-Y632 VanDerWaalsContact C-N 3.32Å; H630-Y632 PolarHBondContact O-N 3.41Å; Y632-E634 VanDerWaalsContact C-N 3.32Å; Y632-E634 PolarHBondContact O-N 3.45Å; Y632-A635 PolarHBondContact O-N 2.81Å; Y632-Q636 HydrophobicContact CD1-CG 4.06Å; Y632-Q636 HydrophobicContact CE1-CG 3.76Å; Y632-Q636 HydrophobicContact CE2-CG 4.44Å; Y632-Q636 VanDerWaalsContact CZ-CD 3.49Å; Y632-Q636 VanDerWaalsContact CZ-NE2 3.34Å; Y632-Q636 WeakPolarHBondContact O-CB 3.36Å; Y632-Q636 WeakPolarHBondContact O-CG 3.44Å; Y632-Q636 PolarHBondContact O-N 3.22Å; Y632-Q636 PolarHBondContact OH-NE2 3.31Å; Y632-I674 HydrophobicContact CD1-CG2 4.34Å; Y632-I674 HydrophobicContact CE1-CG2 4.35Å; Y632-L675 HydrophobicContact CE1-CD2 4.23Å; Y632-L675 WeakPolarHBondContact OH-CD2 3.43Å; Y632-D678 PolarHBondContact OH-OD2 3.38Å
633I71.7Confident67.7Low77 Ų7791.6 Ų91.640%0.39547%0.47SS..Hα-helixtrans-58.8-44.6177.4-68.6168000110.7I629 H630 Q636 Q637 I674I629-I633 HydrophobicContact CG2-CD1 3.81Å; I629-I633 HydrophobicContact CG2-CG1 4.48Å; I629-I633 VanDerWaalsContact O-CG1 3.28Å; I629-I633 WeakPolarHBondContact O-CG1 3.46Å; I629-I633 PolarHBondContact O-N 2.7Å; H630-I633 PolarHBondContact O-N 3.42Å; I633-Q636 PolarHBondContact O-N 3.38Å; I633-Q637 PolarHBondContact O-N 2.9Å; I633-I674 HydrophobicContact CD1-CD1 4.34Å; I633-I674 HydrophobicContact CG1-CG2 4.49Å
634E71Confident66.7Low109 Ų10990.9 Ų90.951%0.50946%0.463SS..Hα-helixtrans-65-45.7178.9-172.9177.1-175.300112.3H630 V631 Y632 Q636 Q637 N638H630-E634 WeakPolarHBondContact O-CB 3.08Å; H630-E634 PolarHBondContact O-N 2.99Å; V631-E634 PolarHBondContact O-N 3.42Å; Y632-E634 VanDerWaalsContact C-N 3.32Å; Y632-E634 PolarHBondContact O-N 3.45Å; E634-Q636 VanDerWaalsContact C-N 3.26Å; E634-Q636 PolarHBondContact O-N 3.32Å; E634-Q637 PolarHBondContact O-N 3.16Å; E634-N638 PolarHBondContact O-N 2.73Å; E634-N638 VanDerWaalsContact O-N 3.13Å
635A66.4Low65.8Low48 Ų4892.1 Ų92.140%0.39747%0.467SS..Hα-helixtrans-60.5-38174.800000111.4V631 Y632 N638 M639V631-A635 VanDerWaalsContact O-CB 3.24Å; V631-A635 WeakPolarHBondContact O-CB 3.32Å; V631-A635 PolarHBondContact O-N 2.78Å; Y632-A635 PolarHBondContact O-N 2.81Å; A635-N638 PolarHBondContact O-N 2.89Å; A635-M639 VanDerWaalsContact O-CG 3.31Å; A635-M639 WeakPolarHBondContact O-CG 3.42Å; A635-M639 PolarHBondContact O-N 3.5Å; A635-M639 VanDerWaalsContact O-N 3.08Å
636Q64.6Low65.1Low47 Ų4794.3 Ų94.322%0.2247%0.471CS..Hα-helixtrans-72.1-38.1177.6-70.5-138.7-45.900113.3Y632 I633 E634 N638 M639 K640 D678Y632-Q636 HydrophobicContact CD1-CG 4.06Å; Y632-Q636 HydrophobicContact CE1-CG 3.76Å; Y632-Q636 HydrophobicContact CE2-CG 4.44Å; Y632-Q636 VanDerWaalsContact CZ-CD 3.49Å; Y632-Q636 VanDerWaalsContact CZ-NE2 3.34Å; Y632-Q636 WeakPolarHBondContact O-CB 3.36Å; Y632-Q636 WeakPolarHBondContact O-CG 3.44Å; Y632-Q636 PolarHBondContact O-N 3.22Å; Y632-Q636 PolarHBondContact OH-NE2 3.31Å; I633-Q636 PolarHBondContact O-N 3.38Å; E634-Q636 VanDerWaalsContact C-N 3.26Å; E634-Q636 PolarHBondContact O-N 3.32Å; Q636-N638 PolarHBondContact O-N 2.86Å; Q636-M639 PolarHBondContact O-N 3.12Å; Q636-K640 PolarHBondContact O-N 3.43Å; Q636-D678 PolarHBondContact NE2-OD1 2.82Å; Q636-D678 PolarHBondContact NE2-OD2 2.99Å; Q636-D678 PolarHBondContact OE1-OD1 3.07Å; Q636-D678 PolarHBondContact OE1-OD2 2.66Å
637Q66.3Low64.7Low125 Ų12594.4 Ų94.458%0.58448%0.477SS*.Hα-helixtrans-57-37.1172.2-148.679.84.900110.7I633 E634I633-Q637 PolarHBondContact O-N 2.9Å; E634-Q637 PolarHBondContact O-N 3.16Å
638N61.9Low64.5Low127 Ų12793.7 Ų93.768%0.67947%0.466SS*.Hα-helixtrans-76.4-21175.5-71.3-18.6000114.1E634 A635 Q636E634-N638 PolarHBondContact O-N 2.73Å; E634-N638 VanDerWaalsContact O-N 3.13Å; A635-N638 PolarHBondContact O-N 2.89Å; Q636-N638 PolarHBondContact O-N 2.86Å
639M55.2Low64.3Low81 Ų8193.7 Ų93.740%0.39947%0.471SS..Hα-helixtrans-95.1-1.1-179.7-71.2-156.883.400114.4A635 Q636 D641 T642 R644A635-M639 VanDerWaalsContact O-CG 3.31Å; A635-M639 WeakPolarHBondContact O-CG 3.42Å; A635-M639 PolarHBondContact O-N 3.5Å; A635-M639 VanDerWaalsContact O-N 3.08Å; Q636-M639 PolarHBondContact O-N 3.12Å; M639-D641 PolarHBondContact O-N 2.92Å; M639-T642 PolarHBondContact O-N 2.96Å; M639-R644 PolarHBondContact SD-NH2 3.33Å
640K55.8Low64.3Low139 Ų139100.9 Ų100.960%0.60450%0.498SS*.THydrogen-bonded Turntrans-55.1-23.3-176.2-120.3175.8-179.11740114.3Q636Q636-K640 PolarHBondContact O-N 3.43Å
641D53.9Low64.2Low154 Ų15494.8 Ų94.882%0.82447%0.469SS*.THydrogen-bonded Turntrans-95.91-179.3-61.2-30.2000114.4M639 P643M639-D641 PolarHBondContact O-N 2.92Å; D641-P643 VanDerWaalsContact O-CD 3.29Å; D641-P643 WeakPolarHBondContact O-CD 3.49Å
642T51.2Low64.3Low84 Ų8495.5 Ų95.552%0.51547%0.465SS..SBendtrans-101.3104.2-179.8-52.30000111.1M639 R644M639-T642 PolarHBondContact O-N 2.96Å; T642-R644 PolarHBondContact O-N 2.9Å
643P53.3Low64.4Low76 Ų7697.3 Ų97.349%0.49448%0.476SS..  trans-67.8105.2-179.126.5-32.5000110.1D641 F645 L689D641-P643 VanDerWaalsContact O-CD 3.29Å; D641-P643 WeakPolarHBondContact O-CD 3.49Å; P643-F645 HydrophobicContact CB-CE2 4.34Å; P643-F645 HydrophobicContact CG-CE2 4.31Å; P643-F645 WeakPolarHBondContact O-CD2 3.27Å; P643-F645 PolarHBondContact O-N 3.27Å; P643-L689 HydrophobicContact CB-CD1 4.34Å
644R55Low64.7Low139 Ų13995.9 Ų95.953%0.52547%0.469SS..  trans-88.591.9175.7-143.6-176.4-72.1-138.77.4108.2M639 T642 R646M639-R644 PolarHBondContact SD-NH2 3.33Å; T642-R644 PolarHBondContact O-N 2.9Å; R644-R646 PolarHBondContact O-N 3.4Å
645F54.7Low65.1Low160 Ų16091.8 Ų91.870%0.70245%0.451SS*.  trans-56.898.2-178.2-69-87.5000112P643P643-F645 HydrophobicContact CB-CE2 4.34Å; P643-F645 HydrophobicContact CG-CE2 4.31Å; P643-F645 WeakPolarHBondContact O-CD2 3.27Å; P643-F645 PolarHBondContact O-N 3.27Å
646R58.5Low65.7Low109 Ų10996.4 Ų96.441%0.41146%0.464SS..  trans-128134.1163.6-70.1-174.5177.9178.50.8106.5R644 S648 L651 Q686R644-R646 PolarHBondContact O-N 3.4Å; R646-S648 PolarHBondContact O-N 2.9Å; R646-L651 HydrophobicContact CB-CD1 3.95Å; R646-L651 HydrophobicContact CB-CG 3.99Å; R646-Q686 WeakPolarHBondContact O-CG 3.31Å
647S66.5Low66.3Low66 Ų66100.3 Ų100.346%0.46249%0.486SS..  trans-51.4134.1175.356.90000110.4L649 R650 L651S647-L649 PolarHBondContact O-N 3.25Å; S647-R650 PolarHBondContact O-N 2.96Å; S647-R650 WeakPolarHBondContact OG-CB 3.39Å; S647-L651 PolarHBondContact O-N 3.36Å
648S69.5Low66.6Low18 Ų1896.9 Ų96.913%0.12647%0.471CS..Hα-helixtrans-49.4-35.7178.657.40000112.6R646 R650 L651 K652 E690R646-S648 PolarHBondContact O-N 2.9Å; S648-R650 PolarHBondContact O-N 3.41Å; S648-L651 PolarHBondContact O-N 3.41Å; S648-K652 WeakPolarHBondContact O-CG 3.24Å; S648-K652 PolarHBondContact O-N 3.15Å; S648-E690 PolarHBondContact OG-OE1 2.89Å; S648-E690 PolarHBondContact OG-OE2 3.03Å; S648-E690 VanDerWaalsContact OG-OE2 3.05Å
649L72.7Confident67.3Low117 Ų11793.4 Ų93.461%0.61346%0.46SS*.Hα-helixtrans-59.9-44176.1-170.467.8000113.9S647 K652 Q653S647-L649 PolarHBondContact O-N 3.25Å; L649-K652 PolarHBondContact O-N 3.05Å; L649-Q653 WeakPolarHBondContact O-CG 3.43Å; L649-Q653 PolarHBondContact O-N 2.93Å
650R73.6Confident68.4Low157 Ų15793.5 Ų93.559%0.59247%0.474SS*.Hα-helixtrans-72.5-35.9-178-171.9174.4-178.9161.51111.7S647 S648 N654S647-R650 PolarHBondContact O-N 2.96Å; S647-R650 WeakPolarHBondContact OG-CB 3.39Å; S648-R650 PolarHBondContact O-N 3.41Å; R650-N654 PolarHBondContact O-N 2.98Å; R650-N654 VanDerWaalsContact O-N 3.16Å; R650-N654 PolarHBondContact O-ND2 2.94Å
651L74.4Confident69.3Low1 Ų193.7 Ų93.71%0.00547%0.472CS..Hα-helixtrans-65.2-44.5173.7-77.9158000110.8R646 S647 S648 Q653 N654 I655 L679 Q682 V683R646-L651 HydrophobicContact CB-CD1 3.95Å; R646-L651 HydrophobicContact CB-CG 3.99Å; S647-L651 PolarHBondContact O-N 3.36Å; S648-L651 PolarHBondContact O-N 3.41Å; L651-Q653 PolarHBondContact O-N 2.94Å; L651-N654 PolarHBondContact O-N 3.36Å; L651-N654 VanDerWaalsContact O-N 3.15Å; L651-I655 WeakPolarHBondContact O-CG1 3.49Å; L651-I655 PolarHBondContact O-N 3.16Å; L651-L679 HydrophobicContact CD2-CD2 3.71Å; L651-Q682 HydrophobicContact CD1-CB 4.13Å; L651-Q682 HydrophobicContact CD2-CB 4.01Å; L651-V683 HydrophobicContact CB-CG2 3.39Å; L651-V683 HydrophobicContact CD1-CG2 4.38Å; L651-V683 HydrophobicContact CG-CG2 4.43Å
652K79.5Confident70.4Confident105 Ų10592.3 Ų92.346%0.45747%0.469SS..Hα-helixtrans-57.5-43.5174.1-77.9178.3178.3172.20112.8S648 L649 N654 I655 E656 V683S648-K652 WeakPolarHBondContact O-CG 3.24Å; S648-K652 PolarHBondContact O-N 3.15Å; L649-K652 PolarHBondContact O-N 3.05Å; K652-N654 VanDerWaalsContact C-N 3.34Å; K652-N654 PolarHBondContact O-N 3.38Å; K652-I655 WeakPolarHBondContact O-CB 3.49Å; K652-I655 PolarHBondContact O-N 2.83Å; K652-E656 PolarHBondContact O-N 3.22Å; K652-E656 VanDerWaalsContact O-N 3.07Å; K652-V683 HydrophobicContact CG-CG1 4.13Å; K652-V683 HydrophobicContact CG-CG2 4.11Å
653Q77.5Confident71.4Confident104 Ų10488.5 Ų88.549%0.48645%0.445SS..Hα-helixtrans-61.7-39.2175.4-75.9175.8-2200113L649 L651 E656 L657L649-Q653 WeakPolarHBondContact O-CG 3.43Å; L649-Q653 PolarHBondContact O-N 2.93Å; L651-Q653 PolarHBondContact O-N 2.94Å; Q653-E656 WeakPolarHBondContact O-CB 3.26Å; Q653-E656 PolarHBondContact O-N 3.06Å; Q653-L657 WeakPolarHBondContact O-CG 3.36Å; Q653-L657 PolarHBondContact O-N 2.97Å
654N77Confident72.3Confident48 Ų4890.1 Ų90.126%0.25747%0.465SS..Hα-helixtrans-67.3-37.6177.2-69.1-27000112.2R650 L651 K652 E656 L657 L658 L679R650-N654 PolarHBondContact O-N 2.98Å; R650-N654 VanDerWaalsContact O-N 3.16Å; R650-N654 PolarHBondContact O-ND2 2.94Å; L651-N654 PolarHBondContact O-N 3.36Å; L651-N654 VanDerWaalsContact O-N 3.15Å; K652-N654 VanDerWaalsContact C-N 3.34Å; K652-N654 PolarHBondContact O-N 3.38Å; N654-E656 VanDerWaalsContact C-N 3.33Å; N654-L657 PolarHBondContact O-N 3.45Å; N654-L658 WeakPolarHBondContact O-CB 3.4Å; N654-L658 PolarHBondContact O-N 2.93Å; N654-L679 HydrophobicContact CB-CD1 4.23Å
655I79.8Confident73.1Confident23 Ų2385.9 Ų85.912%0.11846%0.456CS..Hα-helixtrans-60.2-45.7173.8-68.8172.2000109.9L651 K652 L657 L658 A659 L676 L679 Q680 V683L651-I655 WeakPolarHBondContact O-CG1 3.49Å; L651-I655 PolarHBondContact O-N 3.16Å; K652-I655 WeakPolarHBondContact O-CB 3.49Å; K652-I655 PolarHBondContact O-N 2.83Å; I655-L657 PolarHBondContact O-N 3.45Å; I655-L658 PolarHBondContact O-N 3.32Å; I655-A659 VanDerWaalsContact O-CB 3.28Å; I655-A659 WeakPolarHBondContact O-CB 3.42Å; I655-A659 PolarHBondContact O-N 2.93Å; I655-L676 HydrophobicContact CB-CD1 4.17Å; I655-L676 HydrophobicContact CG2-CD1 3.56Å; I655-L676 HydrophobicContact CG2-CG 4.25Å; I655-L676 WeakPolarHBondContact O-CD1 3.46Å; I655-L679 HydrophobicContact CD1-CB 3.94Å; I655-L679 HydrophobicContact CG1-CB 3.49Å; I655-L679 VanDerWaalsContact CG1-CB 3.49Å; I655-L679 HydrophobicContact CG1-CD1 4.2Å; I655-L679 HydrophobicContact CG1-CG 4.49Å; I655-Q680 HydrophobicContact CD1-CB 4.26Å; I655-V683 HydrophobicContact CD1-CG2 3.86Å
656E80.2Confident74Confident144 Ų14484 Ų8467%0.67345%0.45SS*.Hα-helixtrans-59.3-46.3177.5-118.4173.7179.400112.2K652 Q653 N654 A659 A660K652-E656 PolarHBondContact O-N 3.22Å; K652-E656 VanDerWaalsContact O-N 3.07Å; Q653-E656 WeakPolarHBondContact O-CB 3.26Å; Q653-E656 PolarHBondContact O-N 3.06Å; N654-E656 VanDerWaalsContact C-N 3.33Å; E656-A659 PolarHBondContact O-N 3.47Å; E656-A660 WeakPolarHBondContact O-CB 3.46Å; E656-A660 PolarHBondContact O-N 3.3Å
657L76.3Confident74.4Confident129 Ų12981.5 Ų81.568%0.67544%0.444SS*.Hα-helixtrans-64.3-42.2177.6-73.4171.3000112.4Q653 N654 I655Q653-L657 WeakPolarHBondContact O-CG 3.36Å; Q653-L657 PolarHBondContact O-N 2.97Å; N654-L657 PolarHBondContact O-N 3.45Å; I655-L657 PolarHBondContact O-N 3.45Å
658L72.7Confident74.6Confident53 Ų5382.2 Ų82.228%0.27744%0.442SS..Hα-helixtrans-67-41.1176.9-91.6152000111.5N654 I655 A660 Y661 Q672 L675 L676 L679N654-L658 WeakPolarHBondContact O-CB 3.4Å; N654-L658 PolarHBondContact O-N 2.93Å; I655-L658 PolarHBondContact O-N 3.32Å; L658-A660 VanDerWaalsContact C-N 3.32Å; L658-A660 PolarHBondContact O-N 3.45Å; L658-Y661 PolarHBondContact O-N 2.95Å; L658-Q672 PolarHBondContact O-NE2 2.87Å; L658-L675 HydrophobicContact CD2-CD1 4.46Å; L658-L676 HydrophobicContact CB-CD1 4.15Å; L658-L679 HydrophobicContact CD1-CD1 3.32Å
659A76.7Confident74.9Confident54 Ų5484.7 Ų84.745%0.44645%0.451SS..Hα-helixtrans-68.1-29.7178.500000113.1I655 E656 Y661 L676I655-A659 VanDerWaalsContact O-CB 3.28Å; I655-A659 WeakPolarHBondContact O-CB 3.42Å; I655-A659 PolarHBondContact O-N 2.93Å; E656-A659 PolarHBondContact O-N 3.47Å; A659-Y661 VanDerWaalsContact C-N 3.28Å; A659-Y661 PolarHBondContact O-N 3.4Å; A659-L676 HydrophobicContact CB-CD1 4.19Å; A659-L676 HydrophobicContact CB-CD2 4.48Å
660A78.3Confident75Confident83 Ų8385.5 Ų85.569%0.68645%0.446SS*.Hα-helixtrans-70.5-21.6178.400000113.8E656 L658E656-A660 WeakPolarHBondContact O-CB 3.46Å; E656-A660 PolarHBondContact O-N 3.3Å; L658-A660 VanDerWaalsContact C-N 3.32Å; L658-A660 PolarHBondContact O-N 3.45Å
661Y74.8Confident75Confident144 Ų14480.2 Ų80.257%0.56543%0.429SS*.  trans-79.6130.4179.4-175.1-114.1000111L658 A659 P663 Q672L658-Y661 PolarHBondContact O-N 2.95Å; A659-Y661 VanDerWaalsContact C-N 3.28Å; A659-Y661 PolarHBondContact O-N 3.4Å; Y661-P663 HydrophobicContact CD1-CB 4.45Å; Y661-P663 HydrophobicContact CD1-CG 3.81Å; Y661-P663 HydrophobicContact CE1-CB 3.96Å; Y661-P663 HydrophobicContact CE1-CG 3.79Å; Y661-P663 WeakPolarHBondContact O-CD 3.37Å; Y661-Q672 PolarHBondContact O-NE2 2.98Å
662V76.6Confident75.3Confident125 Ų12581.7 Ų81.776%0.75844%0.436SS*.  trans-112.299.4175.7-177.20000109.2
663P72.4Confident75.3Confident4 Ų484.3 Ų84.33%0.02644%0.443CS..  trans-72.7139.1-178.6-8.620.5000112.7Y661 L668 K669 Q672Y661-P663 HydrophobicContact CD1-CB 4.45Å; Y661-P663 HydrophobicContact CD1-CG 3.81Å; Y661-P663 HydrophobicContact CE1-CB 3.96Å; Y661-P663 HydrophobicContact CE1-CG 3.79Å; Y661-P663 WeakPolarHBondContact O-CD 3.37Å; P663-L668 HydrophobicContact CB-CB 3.4Å; P663-L668 HydrophobicContact CB-CD1 4.29Å; P663-L668 HydrophobicContact CB-CG 4.48Å; P663-L668 HydrophobicContact CG-CB 3.99Å; P663-K669 HydrophobicContact CB-CG 4.24Å; P663-K669 HydrophobicContact CG-CG 4.05Å; P663-K669 VanDerWaalsContact O-CE 3.24Å; P663-K669 WeakPolarHBondContact O-CE 3.24Å; P663-Q672 VanDerWaalsContact CG-OE1 3.26Å
664A72.1Confident75.5Confident110 Ų11081.1 Ų81.191%0.90943%0.429SS*.SBendtrans-70.3-28.9174.900000113.4
665S70.9Confident75.6Confident49 Ų4981 Ų8134%0.34343%0.428SS..SBendtrans-90.2131.7179.6176.60000111.2I667 L668 K669S665-I667 PolarHBondContact O-N 2.72Å; S665-I667 VanDerWaalsContact O-N 3.14Å; S665-I667 PolarHBondContact OG-N 3.43Å; S665-L668 PolarHBondContact O-N 3.36Å; S665-L668 VanDerWaalsContact O-N 3.1Å; S665-K669 PolarHBondContact O-N 2.91Å; S665-K669 VanDerWaalsContact O-N 3.13Å
666E73.4Confident75.7Confident122 Ų12282.2 Ų82.257%0.5743%0.434SS*.Hα-helixtrans-59.5-26.2176.6-158.457.1-152.500112.4K669 R670E666-K669 WeakPolarHBondContact OE2-CD 3.46Å; E666-K669 IonicContact OE2-NZ 3.65Å; E666-K669 PolarHBondContact OE2-NZ 2.66Å; E666-R670 PolarHBondContact O-N 3.46Å
667I67.4Low75.8Confident56 Ų5680.5 Ų80.529%0.28743%0.43SS..Hα-helixtrans-75.9-40.1178.4-58.4157.7000111K622 L625 S665 K669 R670 L671K622-I667 HydrophobicContact CG-CD1 4.37Å; L625-I667 HydrophobicContact CD2-CG2 3.44Å; L625-I667 VanDerWaalsContact CD2-CG2 3.44Å; L625-I667 HydrophobicContact CG-CG2 4.18Å; S665-I667 PolarHBondContact O-N 2.72Å; S665-I667 VanDerWaalsContact O-N 3.14Å; S665-I667 PolarHBondContact OG-N 3.43Å; I667-K669 VanDerWaalsContact C-N 3.28Å; I667-K669 PolarHBondContact O-N 2.91Å; I667-R670 WeakPolarHBondContact O-CB 3.47Å; I667-R670 PolarHBondContact O-N 3.06Å; I667-R670 VanDerWaalsContact O-N 3.12Å; I667-L671 PolarHBondContact O-N 3.23Å
668L71Confident75.9Confident80 Ų8075.7 Ų75.742%0.41941%0.405SS..Hα-helixtrans-65.5-33.5174.1-77.8169.3000111.4P663 S665 R670 L671 Q672P663-L668 HydrophobicContact CB-CB 3.4Å; P663-L668 HydrophobicContact CB-CD1 4.29Å; P663-L668 HydrophobicContact CB-CG 4.48Å; P663-L668 HydrophobicContact CG-CB 3.99Å; S665-L668 PolarHBondContact O-N 3.36Å; S665-L668 VanDerWaalsContact O-N 3.1Å; L668-R670 VanDerWaalsContact C-N 3.32Å; L668-R670 PolarHBondContact O-N 3.45Å; L668-L671 PolarHBondContact O-N 2.93Å; L668-Q672 VanDerWaalsContact O-CB 3.24Å; L668-Q672 WeakPolarHBondContact O-CB 3.27Å; L668-Q672 PolarHBondContact O-N 3.46Å
669K74.8Confident76.2Confident71 Ų7174 Ų7431%0.30940%0.396SS..Hα-helixtrans-63-38.3171-67.5-177.8-164.11590112.2P663 S665 E666 I667 R673P663-K669 HydrophobicContact CB-CG 4.24Å; P663-K669 HydrophobicContact CG-CG 4.05Å; P663-K669 VanDerWaalsContact O-CE 3.24Å; P663-K669 WeakPolarHBondContact O-CE 3.24Å; S665-K669 PolarHBondContact O-N 2.91Å; S665-K669 VanDerWaalsContact O-N 3.13Å; E666-K669 WeakPolarHBondContact OE2-CD 3.46Å; E666-K669 IonicContact OE2-NZ 3.65Å; E666-K669 PolarHBondContact OE2-NZ 2.66Å; I667-K669 VanDerWaalsContact C-N 3.28Å; I667-K669 PolarHBondContact O-N 2.91Å; K669-R673 PolarHBondContact O-N 3.13Å
670R76Confident76.4Confident134 Ų13475.3 Ų75.351%0.50639%0.393SS..Hα-helixtrans-66.7-45.3176.9-170.6171.9176.5-157.6-3.5111.3D626 E666 I667 L668 R673 I674D626-R670 IonicContact OD1-CZ 2.79Å; D626-R670 IonicContact OD1-NH1 2.83Å; D626-R670 PolarHBondContact OD1-NH1 3.23Å; D626-R670 VanDerWaalsContact OD1-NH1 3.11Å; E666-R670 PolarHBondContact O-N 3.46Å; I667-R670 WeakPolarHBondContact O-CB 3.47Å; I667-R670 PolarHBondContact O-N 3.06Å; I667-R670 VanDerWaalsContact O-N 3.12Å; L668-R670 VanDerWaalsContact C-N 3.32Å; L668-R670 PolarHBondContact O-N 3.45Å; R670-R673 PolarHBondContact O-N 3.46Å; R670-I674 HydrophobicContact CG-CD1 4.38Å; R670-I674 WeakPolarHBondContact O-CG1 3.32Å; R670-I674 PolarHBondContact O-N 3.35Å
671L74.3Confident76.5Confident46 Ų4675.2 Ų75.224%0.24138%0.381CS..Hα-helixtrans-61-45.5175.1-165.385.3000111.6I629 I667 L668 R673 I674 L675I629-L671 HydrophobicContact CD1-CD1 4.27Å; I629-L671 HydrophobicContact CG1-CD1 3.83Å; I667-L671 PolarHBondContact O-N 3.23Å; L668-L671 PolarHBondContact O-N 2.93Å; L671-R673 VanDerWaalsContact C-N 3.33Å; L671-R673 PolarHBondContact O-N 2.86Å; L671-I674 PolarHBondContact O-N 3.41Å; L671-L675 HydrophobicContact CD2-CD1 4.34Å; L671-L675 HydrophobicContact CG-CD1 4.26Å; L671-L675 WeakPolarHBondContact O-CG 3.4Å; L671-L675 PolarHBondContact O-N 2.71Å
672Q78.7Confident76.6Confident31 Ų3170.3 Ų70.315%0.14536%0.363CS..Hα-helixtrans-57.3-43.9176.8-178.7-170.213.100111.9L658 Y661 P663 L668 L675 L676L658-Q672 PolarHBondContact O-NE2 2.87Å; Y661-Q672 PolarHBondContact O-NE2 2.98Å; P663-Q672 VanDerWaalsContact CG-OE1 3.26Å; L668-Q672 VanDerWaalsContact O-CB 3.24Å; L668-Q672 WeakPolarHBondContact O-CB 3.27Å; L668-Q672 PolarHBondContact O-N 3.46Å; Q672-L675 PolarHBondContact O-N 2.98Å; Q672-L676 WeakPolarHBondContact O-CB 3.45Å; Q672-L676 PolarHBondContact O-N 2.79Å
673R81.1Confident76.9Confident160 Ų16064.5 Ų64.560%0.60433%0.328SS*.Hα-helixtrans-62.5-43.4178.4-162.6-178.2-54.7167.15.3112.1K669 R670 L671 L676 D677K669-R673 PolarHBondContact O-N 3.13Å; R670-R673 PolarHBondContact O-N 3.46Å; L671-R673 VanDerWaalsContact C-N 3.33Å; L671-R673 PolarHBondContact O-N 2.86Å; R673-L676 PolarHBondContact O-N 3.4Å; R673-D677 PolarHBondContact O-N 3.33Å
674I80.9Confident77.2Confident37 Ų3767.5 Ų67.519%0.1934%0.344CS..Hα-helixtrans-63.2-44.9177.7-65.8166.7000110.7I629 Y632 I633 R670 L671 L676 D677 D678I629-I674 HydrophobicContact CG2-CD1 3.56Å; Y632-I674 HydrophobicContact CD1-CG2 4.34Å; Y632-I674 HydrophobicContact CE1-CG2 4.35Å; I633-I674 HydrophobicContact CD1-CD1 4.34Å; I633-I674 HydrophobicContact CG1-CG2 4.49Å; R670-I674 HydrophobicContact CG-CD1 4.38Å; R670-I674 WeakPolarHBondContact O-CG1 3.32Å; R670-I674 PolarHBondContact O-N 3.35Å; L671-I674 PolarHBondContact O-N 3.41Å; I674-L676 VanDerWaalsContact C-N 3.31Å; I674-L676 PolarHBondContact O-N 3.5Å; I674-D677 PolarHBondContact O-N 2.88Å; I674-D678 PolarHBondContact O-N 3.3Å; I674-D678 VanDerWaalsContact O-N 3.11Å
675L79.4Confident77.3Confident47 Ų4765.4 Ų65.425%0.24632%0.32CS..Hα-helixtrans-65.6-34.7177.7-70.1171.7000112.5Y632 L658 L671 Q672 L679Y632-L675 HydrophobicContact CE1-CD2 4.23Å; Y632-L675 WeakPolarHBondContact OH-CD2 3.43Å; L658-L675 HydrophobicContact CD2-CD1 4.46Å; L671-L675 HydrophobicContact CD2-CD1 4.34Å; L671-L675 HydrophobicContact CG-CD1 4.26Å; L671-L675 WeakPolarHBondContact O-CG 3.4Å; L671-L675 PolarHBondContact O-N 2.71Å; Q672-L675 PolarHBondContact O-N 2.98Å; L675-L679 WeakPolarHBondContact O-CB 3.39Å; L675-L679 VanDerWaalsContact O-CG 3.31Å; L675-L679 WeakPolarHBondContact O-CG 3.44Å; L675-L679 PolarHBondContact O-N 2.75Å
676L82.3Confident77.5Confident47 Ų4764.1 Ų64.125%0.24631%0.308CS..Hα-helixtrans-68.8-44.1178.8-158.472.8000111.7I655 L658 A659 Q672 R673 I674 Q680I655-L676 HydrophobicContact CB-CD1 4.17Å; I655-L676 HydrophobicContact CG2-CD1 3.56Å; I655-L676 HydrophobicContact CG2-CG 4.25Å; I655-L676 WeakPolarHBondContact O-CD1 3.46Å; L658-L676 HydrophobicContact CB-CD1 4.15Å; A659-L676 HydrophobicContact CB-CD1 4.19Å; A659-L676 HydrophobicContact CB-CD2 4.48Å; Q672-L676 WeakPolarHBondContact O-CB 3.45Å; Q672-L676 PolarHBondContact O-N 2.79Å; R673-L676 PolarHBondContact O-N 3.4Å; I674-L676 VanDerWaalsContact C-N 3.31Å; I674-L676 PolarHBondContact O-N 3.5Å; L676-Q680 WeakPolarHBondContact O-CB 3.28Å; L676-Q680 PolarHBondContact O-N 3Å
677D82.7Confident77.4Confident109 Ų10961.6 Ų61.658%0.58330%0.296SS*.Hα-helixtrans-61.5-45.1175.2-83.6-1.5000111.4R673 I674 Q680 D681R673-D677 PolarHBondContact O-N 3.33Å; I674-D677 PolarHBondContact O-N 2.88Å; D677-Q680 WeakPolarHBondContact O-CB 3.46Å; D677-Q680 PolarHBondContact O-N 3.42Å; D677-D681 PolarHBondContact O-N 3.23Å
678D78.4Confident77.8Confident28 Ų2866.7 Ų66.715%0.1531%0.312CS..Hα-helixtrans-61.8-47.6177.9171.842.9000112.4Y632 Q636 I674 Q680 D681 Q682Y632-D678 PolarHBondContact OH-OD2 3.38Å; Q636-D678 PolarHBondContact NE2-OD1 2.82Å; Q636-D678 PolarHBondContact NE2-OD2 2.99Å; Q636-D678 PolarHBondContact OE1-OD1 3.07Å; Q636-D678 PolarHBondContact OE1-OD2 2.66Å; I674-D678 PolarHBondContact O-N 3.3Å; I674-D678 VanDerWaalsContact O-N 3.11Å; D678-Q680 PolarHBondContact O-N 2.94Å; D678-D681 PolarHBondContact O-N 2.98Å; D678-Q682 VanDerWaalsContact CG-NE2 3.31Å; D678-Q682 WeakPolarHBondContact O-CG 3.38Å; D678-Q682 PolarHBondContact O-N 3.45Å; D678-Q682 PolarHBondContact OD1-NE2 3.47Å; D678-Q682 PolarHBondContact OD2-NE2 2.89Å; D678-Q682 VanDerWaalsContact OD2-NE2 3.09Å
679L78.1Confident77.8Confident17 Ų1766.5 Ų66.59%0.08931%0.311CS..Hα-helixtrans-62.2-34.7177.2-72.7173000111.8L651 N654 I655 L658 L675 Q682 V683L651-L679 HydrophobicContact CD2-CD2 3.71Å; N654-L679 HydrophobicContact CB-CD1 4.23Å; I655-L679 HydrophobicContact CD1-CB 3.94Å; I655-L679 HydrophobicContact CG1-CB 3.49Å; I655-L679 VanDerWaalsContact CG1-CB 3.49Å; I655-L679 HydrophobicContact CG1-CD1 4.2Å; I655-L679 HydrophobicContact CG1-CG 4.49Å; L658-L679 HydrophobicContact CD1-CD1 3.32Å; L675-L679 WeakPolarHBondContact O-CB 3.39Å; L675-L679 VanDerWaalsContact O-CG 3.31Å; L675-L679 WeakPolarHBondContact O-CG 3.44Å; L675-L679 PolarHBondContact O-N 2.75Å; L679-Q682 PolarHBondContact O-N 3.41Å; L679-V683 WeakPolarHBondContact O-CG2 3.45Å; L679-V683 PolarHBondContact O-N 2.92Å
680Q81.6Confident77.8Confident82 Ų8265.9 Ų65.938%0.38331%0.309SS..Hα-helixtrans-67.8-40.4176.5-173.260.45100112I655 L676 D677 D678 Q682 V683 N684I655-Q680 HydrophobicContact CD1-CB 4.26Å; L676-Q680 WeakPolarHBondContact O-CB 3.28Å; L676-Q680 PolarHBondContact O-N 3Å; D677-Q680 WeakPolarHBondContact O-CB 3.46Å; D677-Q680 PolarHBondContact O-N 3.42Å; D678-Q680 PolarHBondContact O-N 2.94Å; Q680-Q682 VanDerWaalsContact C-N 3.34Å; Q680-V683 WeakPolarHBondContact O-CB 3.49Å; Q680-V683 PolarHBondContact O-N 2.88Å; Q680-N684 PolarHBondContact NE2-OD1 3.49Å; Q680-N684 PolarHBondContact O-N 2.92Å; Q680-N684 PolarHBondContact O-ND2 2.92Å; Q680-N684 PolarHBondContact O-OD1 3.03Å
681D79.3Confident77.7Confident80 Ų8063.5 Ų63.543%0.42831%0.306SS..Hα-helixtrans-63.7-38.6173.7-89.7-4.4000112.2D677 D678 N684 T685D677-D681 PolarHBondContact O-N 3.23Å; D678-D681 PolarHBondContact O-N 2.98Å; D681-N684 PolarHBondContact O-N 3.45Å; D681-T685 PolarHBondContact O-N 3.15Å; D681-T685 PolarHBondContact O-OG1 3.01Å
682Q78Confident77.8Confident42 Ų4264.8 Ų64.820%0.19632%0.319CS..Hα-helixtrans-64.5-38.4173.3-70.817633.700112.2L651 D678 L679 Q680 T685 Q686L651-Q682 HydrophobicContact CD1-CB 4.13Å; L651-Q682 HydrophobicContact CD2-CB 4.01Å; D678-Q682 VanDerWaalsContact CG-NE2 3.31Å; D678-Q682 WeakPolarHBondContact O-CG 3.38Å; D678-Q682 PolarHBondContact O-N 3.45Å; D678-Q682 PolarHBondContact OD1-NE2 3.47Å; D678-Q682 PolarHBondContact OD2-NE2 2.89Å; D678-Q682 VanDerWaalsContact OD2-NE2 3.09Å; L679-Q682 PolarHBondContact O-N 3.41Å; Q680-Q682 VanDerWaalsContact C-N 3.34Å; Q682-T685 WeakPolarHBondContact CA-OG1 3.39Å; Q682-T685 PolarHBondContact O-OG1 3.41Å; Q682-Q686 WeakPolarHBondContact O-CB 3.46Å; Q682-Q686 PolarHBondContact O-N 3.46Å
683V81.4Confident77.3Confident3 Ų367.8 Ų67.82%0.01834%0.339CS..Hα-helixtrans-61.8-47172.2171.30000110.6L651 K652 I655 L679 Q680 T685 Q686 Q687L651-V683 HydrophobicContact CB-CG2 3.39Å; L651-V683 HydrophobicContact CD1-CG2 4.38Å; L651-V683 HydrophobicContact CG-CG2 4.43Å; K652-V683 HydrophobicContact CG-CG1 4.13Å; K652-V683 HydrophobicContact CG-CG2 4.11Å; I655-V683 HydrophobicContact CD1-CG2 3.86Å; L679-V683 WeakPolarHBondContact O-CG2 3.45Å; L679-V683 PolarHBondContact O-N 2.92Å; Q680-V683 WeakPolarHBondContact O-CB 3.49Å; Q680-V683 PolarHBondContact O-N 2.88Å; V683-T685 VanDerWaalsContact C-N 3.33Å; V683-T685 PolarHBondContact O-N 3.47Å; V683-Q686 PolarHBondContact O-N 3.34Å; V683-Q687 WeakPolarHBondContact O-CB 3.47Å; V683-Q687 PolarHBondContact O-N 3.47Å
684N80.2Confident76.6Confident66 Ų6666.9 Ų66.935%0.35334%0.341SS..Hα-helixtrans-64.7-35.8-176.8-66-21.9000112.9Q680 D681 R688Q680-N684 PolarHBondContact NE2-OD1 3.49Å; Q680-N684 PolarHBondContact O-N 2.92Å; Q680-N684 PolarHBondContact O-ND2 2.92Å; Q680-N684 PolarHBondContact O-OD1 3.03Å; D681-N684 PolarHBondContact O-N 3.45Å; N684-R688 PolarHBondContact O-N 3.32Å; N684-R688 PolarHBondContact O-NE 2.97Å
685T73.9Confident76.1Confident67 Ų6771.6 Ų71.641%0.41136%0.363SS..Hα-helixtrans-73.5-43.2176.342.50000111.6D681 Q682 V683 Q687 R688 L689D681-T685 PolarHBondContact O-N 3.15Å; D681-T685 PolarHBondContact O-OG1 3.01Å; Q682-T685 WeakPolarHBondContact CA-OG1 3.39Å; Q682-T685 PolarHBondContact O-OG1 3.41Å; V683-T685 VanDerWaalsContact C-N 3.33Å; V683-T685 PolarHBondContact O-N 3.47Å; T685-Q687 VanDerWaalsContact C-N 3.34Å; T685-Q687 PolarHBondContact O-N 3.02Å; T685-R688 PolarHBondContact O-N 2.95Å; T685-L689 PolarHBondContact O-N 2.92Å; T685-L689 VanDerWaalsContact O-N 3.13Å
686Q74.1Confident75.4Confident22 Ų2271.7 Ų71.710%0.10337%0.37CS..Hα-helixtrans-63.9-39.3176-167.168.918.800112.1R646 Q682 V683 R688 L689 E690R646-Q686 WeakPolarHBondContact O-CG 3.31Å; Q682-Q686 WeakPolarHBondContact O-CB 3.46Å; Q682-Q686 PolarHBondContact O-N 3.46Å; V683-Q686 PolarHBondContact O-N 3.34Å; Q686-R688 PolarHBondContact O-N 2.85Å; Q686-L689 PolarHBondContact O-N 3Å; Q686-E690 WeakPolarHBondContact O-CG 3.38Å; Q686-E690 PolarHBondContact O-N 3.42Å
687Q72.7Confident74.6Confident68 Ų6872.9 Ų72.932%0.31838%0.379SS..Hα-helixtrans-60.8-43.8176.1-163.480.251.200111.3V683 T685 L689 E690 D691V683-Q687 WeakPolarHBondContact O-CB 3.47Å; V683-Q687 PolarHBondContact O-N 3.47Å; T685-Q687 VanDerWaalsContact C-N 3.34Å; T685-Q687 PolarHBondContact O-N 3.02Å; Q687-L689 VanDerWaalsContact C-N 3.33Å; Q687-L689 PolarHBondContact O-N 3.5Å; Q687-E690 PolarHBondContact O-N 3.48Å; Q687-D691 VanDerWaalsContact O-CG 3.25Å; Q687-D691 PolarHBondContact O-N 2.91Å
688R75.3Confident73.3Confident164 Ų16469.4 Ų69.462%0.61937%0.369SS*.Hα-helixtrans-61.5-38.8175.3-82.2-174.2-86.5-171.7-5.3113N684 T685 Q686 D691 C692N684-R688 PolarHBondContact O-N 3.32Å; N684-R688 PolarHBondContact O-NE 2.97Å; T685-R688 PolarHBondContact O-N 2.95Å; Q686-R688 PolarHBondContact O-N 2.85Å; R688-D691 PolarHBondContact O-N 3.26Å; R688-C692 PolarHBondContact O-N 3.28Å; R688-C692 PolarHBondContact O-SG 2.94Å; R688-C692 VanDerWaalsContact O-SG 3.4Å
689L70.8Confident72.4Confident75 Ų7571 Ų7139%0.39338%0.38SS..Hα-helixtrans-66.8-41.6175-74.6171.3000111.7P643 T685 Q686 Q687 D691 C692 V693P643-L689 HydrophobicContact CB-CD1 4.34Å; T685-L689 PolarHBondContact O-N 2.92Å; T685-L689 VanDerWaalsContact O-N 3.13Å; Q686-L689 PolarHBondContact O-N 3Å; Q687-L689 VanDerWaalsContact C-N 3.33Å; Q687-L689 PolarHBondContact O-N 3.5Å; L689-D691 VanDerWaalsContact C-N 3.31Å; L689-D691 PolarHBondContact O-N 3.49Å; L689-C692 PolarHBondContact O-N 3.16Å; L689-V693 VanDerWaalsContact O-CG2 3.31Å; L689-V693 WeakPolarHBondContact O-CG2 3.45Å; L689-V693 PolarHBondContact O-N 3.34Å
690E74Confident71.3Confident58 Ų5875.3 Ų75.327%0.27140%0.402SS..Hα-helixtrans-58.6-43.2174.7-72.7170.6-173.800110.7S648 Q686 Q687 V693 Q694S648-E690 PolarHBondContact OG-OE1 2.89Å; S648-E690 PolarHBondContact OG-OE2 3.03Å; S648-E690 VanDerWaalsContact OG-OE2 3.05Å; Q686-E690 WeakPolarHBondContact O-CG 3.38Å; Q686-E690 PolarHBondContact O-N 3.42Å; Q687-E690 PolarHBondContact O-N 3.48Å; E690-V693 PolarHBondContact O-N 3.03Å; E690-Q694 PolarHBondContact O-N 2.88Å; E690-Q694 VanDerWaalsContact O-N 3.11Å; E690-Q694 PolarHBondContact O-OE1 3.14Å
691D75.6Confident70Confident84 Ų8478 Ų7845%0.44942%0.415SS..Hα-helixtrans-64.7-46.2176.6-63.3-26.7000112.8Q687 R688 L689 V693 Q694 E695Q687-D691 VanDerWaalsContact O-CG 3.25Å; Q687-D691 PolarHBondContact O-N 2.91Å; R688-D691 PolarHBondContact O-N 3.26Å; L689-D691 VanDerWaalsContact C-N 3.31Å; L689-D691 PolarHBondContact O-N 3.49Å; D691-V693 VanDerWaalsContact C-N 3.33Å; D691-V693 PolarHBondContact O-N 3.12Å; D691-Q694 PolarHBondContact O-N 2.81Å; D691-E695 PolarHBondContact O-N 2.96Å
692C74.7Confident68.7Low74 Ų7477.4 Ų77.450%0.542%0.416SS..Hα-helixtrans-62.9-37.7177.6-73.60000112.7R688 L689 Q694 E695 A696R688-C692 PolarHBondContact O-N 3.28Å; R688-C692 PolarHBondContact O-SG 2.94Å; R688-C692 VanDerWaalsContact O-SG 3.4Å; L689-C692 PolarHBondContact O-N 3.16Å; C692-Q694 VanDerWaalsContact C-N 3.33Å; C692-E695 PolarHBondContact O-N 3.42Å; C692-A696 WeakPolarHBondContact O-CB 3.46Å; C692-A696 PolarHBondContact O-N 2.9Å
693V69.5Low67.5Low94 Ų9481.3 Ų81.357%0.5744%0.435SS*.Hα-helixtrans-65.5-40.4175.7170.80000110.3L689 E690 D691 A696 V697L689-V693 VanDerWaalsContact O-CG2 3.31Å; L689-V693 WeakPolarHBondContact O-CG2 3.45Å; L689-V693 PolarHBondContact O-N 3.34Å; E690-V693 PolarHBondContact O-N 3.03Å; D691-V693 VanDerWaalsContact C-N 3.33Å; D691-V693 PolarHBondContact O-N 3.12Å; V693-A696 PolarHBondContact O-N 3.36Å; V693-V697 HydrophobicContact CG1-CG2 4.45Å; V693-V697 WeakPolarHBondContact O-CB 3.06Å; V693-V697 VanDerWaalsContact O-CG2 3.24Å; V693-V697 WeakPolarHBondContact O-CG2 3.44Å; V693-V697 PolarHBondContact O-N 3.26Å
694Q66.3Low65.8Low140 Ų14085.8 Ų85.865%0.65446%0.459SS*.Hα-helixtrans-64.5-38.4174.5-91.1164.8-67.600112.8E690 D691 C692 G698E690-Q694 PolarHBondContact O-N 2.88Å; E690-Q694 VanDerWaalsContact O-N 3.11Å; E690-Q694 PolarHBondContact O-OE1 3.14Å; D691-Q694 PolarHBondContact O-N 2.81Å; C692-Q694 VanDerWaalsContact C-N 3.33Å; Q694-G698 PolarHBondContact O-N 3.42Å
695E70.3Confident64.4Low137 Ų13786.9 Ų86.964%0.6447%0.468SS*.Hα-helixtrans-64.9-45.1174.7-171.5-179.7-171.400112.3D691 C692 V697 G698 T699D691-E695 PolarHBondContact O-N 2.96Å; C692-E695 PolarHBondContact O-N 3.42Å; E695-V697 PolarHBondContact O-N 2.95Å; E695-G698 PolarHBondContact O-N 2.87Å; E695-T699 PolarHBondContact O-N 3.33Å; E695-T699 PolarHBondContact O-OG1 3.03Å
696A63.8Low63Low49 Ų4989.4 Ų89.441%0.40548%0.479SS..Hα-helixtrans-62.9-42.6176.800000111.9C692 V693 G698 T699 I700C692-A696 WeakPolarHBondContact O-CB 3.46Å; C692-A696 PolarHBondContact O-N 2.9Å; V693-A696 PolarHBondContact O-N 3.36Å; A696-G698 VanDerWaalsContact C-N 3.33Å; A696-G698 PolarHBondContact O-N 3.47Å; A696-T699 PolarHBondContact O-N 3.37Å; A696-I700 WeakPolarHBondContact O-CG1 3.4Å; A696-I700 PolarHBondContact O-N 3.45Å
697V65.3Low61.3Low72 Ų7293.6 Ų93.644%0.43650%0.501SS..Hα-helixtrans-62.4-41174.7170.30000111V693 E695 I700 Q701V693-V697 HydrophobicContact CG1-CG2 4.45Å; V693-V697 WeakPolarHBondContact O-CB 3.06Å; V693-V697 VanDerWaalsContact O-CG2 3.24Å; V693-V697 WeakPolarHBondContact O-CG2 3.44Å; V693-V697 PolarHBondContact O-N 3.26Å; E695-V697 PolarHBondContact O-N 2.95Å; V697-I700 PolarHBondContact O-N 3.41Å; V697-Q701 WeakPolarHBondContact O-CG 3.46Å; V697-Q701 PolarHBondContact O-N 3.35Å
698G55.7Low59.7Low35 Ų3596 Ų9636%0.36152%0.515SS..Hα-helixtrans-62.1-41.8174.500000113Q694 E695 A696 Q701 S702Q694-G698 PolarHBondContact O-N 3.42Å; E695-G698 PolarHBondContact O-N 2.87Å; A696-G698 VanDerWaalsContact C-N 3.33Å; A696-G698 PolarHBondContact O-N 3.47Å; G698-Q701 PolarHBondContact O-N 3.43Å; G698-S702 PolarHBondContact O-N 3.33Å
699T61.1Low58.2Low63 Ų6396.1 Ų96.139%0.38752%0.522SS..Hα-helixtrans-68.3-39.5179.4-47.60000112.1E695 A696 Q701 S702 Q703E695-T699 PolarHBondContact O-N 3.33Å; E695-T699 PolarHBondContact O-OG1 3.03Å; A696-T699 PolarHBondContact O-N 3.37Å; T699-Q701 VanDerWaalsContact C-N 3.33Å; T699-S702 PolarHBondContact O-N 3.42Å; T699-S702 PolarHBondContact O-OG 3.07Å; T699-Q703 WeakPolarHBondContact O-CG 3.42Å; T699-Q703 PolarHBondContact O-N 2.83Å
700I54.2Low56.9Low107 Ų10799 Ų9955%0.54954%0.536SS..Hα-helixtrans-65.6-39175-68167.1000110.6A696 V697 S702 Q703 N704A696-I700 WeakPolarHBondContact O-CG1 3.4Å; A696-I700 PolarHBondContact O-N 3.45Å; V697-I700 PolarHBondContact O-N 3.41Å; I700-S702 VanDerWaalsContact C-N 3.34Å; I700-Q703 PolarHBondContact O-N 3.21Å; I700-N704 PolarHBondContact O-N 2.87Å; I700-N704 VanDerWaalsContact O-N 3.12Å
701Q53.9Low55.4Low139 Ų139104.1 Ų104.165%0.6556%0.558SS**Hα-helixtrans-66-34.9175.1-76.1179.3-1100112.4V697 G698 T699V697-Q701 WeakPolarHBondContact O-CG 3.46Å; V697-Q701 PolarHBondContact O-N 3.35Å; G698-Q701 PolarHBondContact O-N 3.43Å; T699-Q701 VanDerWaalsContact C-N 3.33Å
702S52.1Low54.1Low66 Ų66107.6 Ų107.646%0.46258%0.576SS.*Hα-helixtrans-76.4-33.1175.977.70000113.5G698 T699 I700 T705G698-S702 PolarHBondContact O-N 3.33Å; T699-S702 PolarHBondContact O-N 3.42Å; T699-S702 PolarHBondContact O-OG 3.07Å; I700-S702 VanDerWaalsContact C-N 3.34Å; S702-T705 PolarHBondContact O-OG1 3.39Å
703Q52.3Low52.8Low124 Ų124113.2 Ų113.258%0.57959%0.587SS**Hα-helixtrans-76.3-25.8177.7-73.4-171.6-5.100112.9T699 I700 T705 D706T699-Q703 WeakPolarHBondContact O-CG 3.42Å; T699-Q703 PolarHBondContact O-N 2.83Å; I700-Q703 PolarHBondContact O-N 3.21Å; Q703-T705 VanDerWaalsContact C-N 3.25Å; Q703-T705 PolarHBondContact O-N 3.44Å; Q703-D706 PolarHBondContact O-N 2.93Å
704N46.1Very low52Low98 Ų98113.5 Ų113.552%0.52459%0.591SS.*THydrogen-bonded Turntrans-71.6-14.8174.8-102.4-24.5000114I700I700-N704 PolarHBondContact O-N 2.87Å; I700-N704 VanDerWaalsContact O-N 3.12Å
705T50Low51.3Low89 Ų89113.2 Ų113.255%0.54659%0.594SS.*THydrogen-bonded Turntrans-75.9-24.4170.646.90000113S702 Q703S702-T705 PolarHBondContact O-OG1 3.39Å; Q703-T705 VanDerWaalsContact C-N 3.25Å; Q703-T705 PolarHBondContact O-N 3.44Å
706D44.5Very low50.5Low119 Ų119111.1 Ų111.164%0.63659%0.587SS**THydrogen-bonded Turntrans-87.3-22.4-177.1-72-13.1000113.7Q703 I708Q703-D706 PolarHBondContact O-N 2.93Å; D706-I708 PolarHBondContact O-N 2.91Å
707I40Very low50.2Low110 Ų110113.4 Ų113.456%0.56459%0.592SS**G310 helixtrans-71.4-15.2178.5-62.4177.3000112.1H709I707-H709 VanDerWaalsContact C-N 3.25Å; I707-H709 PolarHBondContact O-N 3.48Å
708I39Very low50.1Low120 Ų120114.5 Ų114.562%0.61559%0.594SS**G310 helixtrans-72.3-14.3-178.8-63.8179.3000112.8D706D706-I708 PolarHBondContact O-N 2.91Å
709H43.8Very low50.4Low165 Ų165115.9 Ų115.976%0.76460%0.598SS**G310 helixtrans-97.25.6-172.2-82.5-61.3000117.8I707I707-H709 VanDerWaalsContact C-N 3.25Å; I707-H709 PolarHBondContact O-N 3.48Å
710I42.5Very low50.6Low135 Ų135115.9 Ų115.969%0.69260%0.599SS**  trans-110.730.3-172.7-46.1177.6000113.4
711F43.6Very low51.3Low166 Ų166115.5 Ų115.573%0.72860%0.597SS**  trans-92.97.6-173.3-85.8-75.3000117.8
712N47.1Very low52.1Low157 Ų157115.4 Ų115.484%0.8459%0.59SS**SBendtrans-111.610.9-163.5-77.2-21.5000119.2
713R47.1Very low53Low193 Ų193117.8 Ų117.873%0.72859%0.594SS**  trans-143.3127.8168.4-86-166.4169134.5-2114.5D715 D716 L717R713-D715 PolarHBondContact O-N 3.28Å; R713-D716 PolarHBondContact O-N 3.24Å; R713-L717 PolarHBondContact O-N 2.86Å
714P53.6Low54.1Low99 Ų99117 Ų11764%0.64359%0.593SS**Hα-helixtrans-69.3-29.1-175.4-18.330.8000115.3D716 L717 I718P714-D716 VanDerWaalsContact C-N 3.32Å; P714-L717 VanDerWaalsContact O-CB 3.32Å; P714-L717 WeakPolarHBondContact O-CB 3.38Å; P714-L717 PolarHBondContact O-N 3.48Å; P714-I718 PolarHBondContact O-N 2.85Å
715D51.6Low55.5Low134 Ų134114.9 Ų114.972%0.71759%0.589SS**Hα-helixtrans-71.8-30.4-179.9-67.7-38.3000112R713 L717 S719R713-D715 PolarHBondContact O-N 3.28Å; D715-L717 VanDerWaalsContact C-N 3.32Å; D715-S719 PolarHBondContact O-N 2.88Å
716D54Low56.7Low93 Ų93116.2 Ų116.250%0.49759%0.589SS.*Hα-helixtrans-70.3-30.2171.4-64.5-33000111.1R713 P714 T720R713-D716 PolarHBondContact O-N 3.24Å; P714-D716 VanDerWaalsContact C-N 3.32Å; D716-T720 VanDerWaalsContact O-CB 3.28Å; D716-T720 WeakPolarHBondContact O-CB 3.5Å; D716-T720 WeakPolarHBondContact O-CG2 3.38Å; D716-T720 PolarHBondContact O-N 3.02Å; D716-T720 PolarHBondContact O-OG1 2.96Å
717L57.9Low58.3Low97 Ų97114.2 Ų114.251%0.50858%0.578SS.*Hα-helixtrans-66-41.4176.9-162.282000112R713 P714 D715 T720 I721R713-L717 PolarHBondContact O-N 2.86Å; P714-L717 VanDerWaalsContact O-CB 3.32Å; P714-L717 WeakPolarHBondContact O-CB 3.38Å; P714-L717 PolarHBondContact O-N 3.48Å; D715-L717 VanDerWaalsContact C-N 3.32Å; L717-T720 VanDerWaalsContact CA-OG1 3.24Å; L717-T720 WeakPolarHBondContact CA-OG1 3.39Å; L717-T720 PolarHBondContact O-OG1 2.86Å; L717-I721 HydrophobicContact CD2-CD1 4.21Å; L717-I721 HydrophobicContact CG-CD1 3.95Å; L717-I721 WeakPolarHBondContact O-CB 3.48Å; L717-I721 WeakPolarHBondContact O-CD1 3.34Å; L717-I721 WeakPolarHBondContact O-CG1 3.24Å; L717-I721 PolarHBondContact O-N 3.41Å
718I63.2Low60.1Low95 Ų95112.3 Ų112.349%0.48757%0.571SS.*Hα-helixtrans-73.4-39.5179.8-59.5175.2000110.6P714 I721 R722P714-I718 PolarHBondContact O-N 2.85Å; I718-I721 PolarHBondContact O-N 3.29Å; I718-R722 WeakPolarHBondContact O-CB 3.5Å; I718-R722 PolarHBondContact O-N 3.3Å
719S61.7Low62.1Low64 Ų64110.3 Ų110.345%0.44857%0.568SS.*Hα-helixtrans-62.4-45.1173.8-171.30000111.2D715 R722 H723D715-S719 PolarHBondContact O-N 2.88Å; S719-R722 PolarHBondContact O-N 3.34Å; S719-H723 VanDerWaalsContact O-CB 3.25Å; S719-H723 WeakPolarHBondContact O-CB 3.38Å; S719-H723 PolarHBondContact O-N 2.93Å
720T63.7Low63.9Low64 Ų64106.2 Ų106.239%0.39356%0.555SS.*Hα-helixtrans-66.3-41.5176.249.90000112.6D716 L717 H723 L724D716-T720 VanDerWaalsContact O-CB 3.28Å; D716-T720 WeakPolarHBondContact O-CB 3.5Å; D716-T720 WeakPolarHBondContact O-CG2 3.38Å; D716-T720 PolarHBondContact O-N 3.02Å; D716-T720 PolarHBondContact O-OG1 2.96Å; L717-T720 VanDerWaalsContact CA-OG1 3.24Å; L717-T720 WeakPolarHBondContact CA-OG1 3.39Å; L717-T720 PolarHBondContact O-OG1 2.86Å; T720-H723 PolarHBondContact O-N 3.48Å; T720-L724 WeakPolarHBondContact O-CB 3.41Å; T720-L724 WeakPolarHBondContact O-CD1 3.48Å; T720-L724 WeakPolarHBondContact O-CG 3.43Å; T720-L724 PolarHBondContact O-N 2.97Å
721I68.9Low65.7Low99 Ų99104.9 Ų104.951%0.50855%0.547SS..Hα-helixtrans-63.2-43.4174.8-70.7165.1000110.9L717 I718 L724 A725L717-I721 HydrophobicContact CD2-CD1 4.21Å; L717-I721 HydrophobicContact CG-CD1 3.95Å; L717-I721 WeakPolarHBondContact O-CB 3.48Å; L717-I721 WeakPolarHBondContact O-CD1 3.34Å; L717-I721 WeakPolarHBondContact O-CG1 3.24Å; L717-I721 PolarHBondContact O-N 3.41Å; I718-I721 PolarHBondContact O-N 3.29Å; I721-L724 PolarHBondContact O-N 3.19Å; I721-A725 VanDerWaalsContact O-CB 3.29Å; I721-A725 WeakPolarHBondContact O-CB 3.31Å; I721-A725 PolarHBondContact O-N 3.25Å
722R72.3Confident67.6Low137 Ų137101.3 Ų101.352%0.51754%0.535SS..Hα-helixtrans-65.7-43.9177.7-168.5-175.1-47.6109.33.7111.2I718 S719 A725 E726I718-R722 WeakPolarHBondContact O-CB 3.5Å; I718-R722 PolarHBondContact O-N 3.3Å; S719-R722 PolarHBondContact O-N 3.34Å; R722-A725 PolarHBondContact O-N 3.11Å; R722-E726 WeakPolarHBondContact O-CB 3.42Å; R722-E726 PolarHBondContact O-N 3.18Å
723H71.3Confident69.5Low116 Ų11698.7 Ų98.754%0.53752%0.517SS..Hα-helixtrans-63.5-43.9176.7-165.241.7000110.7S719 T720 A725 E726 L727S719-H723 VanDerWaalsContact O-CB 3.25Å; S719-H723 WeakPolarHBondContact O-CB 3.38Å; S719-H723 PolarHBondContact O-N 2.93Å; T720-H723 PolarHBondContact O-N 3.48Å; H723-A725 VanDerWaalsContact C-N 3.34Å; H723-A725 PolarHBondContact O-N 3.4Å; H723-E726 PolarHBondContact O-N 3.48Å; H723-L727 WeakPolarHBondContact O-CB 3.47Å; H723-L727 PolarHBondContact O-N 2.65Å
724L74.3Confident71.2Confident107 Ų10795.3 Ų95.356%0.5651%0.51SS*.Hα-helixtrans-59.8-41.1172.1-78.6163.9000111.7T720 I721 L727 T728T720-L724 WeakPolarHBondContact O-CB 3.41Å; T720-L724 WeakPolarHBondContact O-CD1 3.48Å; T720-L724 WeakPolarHBondContact O-CG 3.43Å; T720-L724 PolarHBondContact O-N 2.97Å; I721-L724 PolarHBondContact O-N 3.19Å; L724-L727 PolarHBondContact O-N 2.87Å; L724-T728 WeakPolarHBondContact O-CB 3.36Å; L724-T728 PolarHBondContact O-N 3.42Å; L724-T728 PolarHBondContact O-OG1 2.9Å
725A75.8Confident72.7Confident54 Ų5497 Ų9745%0.44651%0.507SS..Hα-helixtrans-69.8-39.9178.800000112.6I721 R722 H723 T728 S729I721-A725 VanDerWaalsContact O-CB 3.29Å; I721-A725 WeakPolarHBondContact O-CB 3.31Å; I721-A725 PolarHBondContact O-N 3.25Å; R722-A725 PolarHBondContact O-N 3.11Å; H723-A725 VanDerWaalsContact C-N 3.34Å; H723-A725 PolarHBondContact O-N 3.4Å; A725-T728 PolarHBondContact O-N 3.3Å; A725-S729 WeakPolarHBondContact O-CB 3.39Å; A725-S729 PolarHBondContact O-N 2.94Å; A725-S729 PolarHBondContact O-OG 3.4Å
726E75.6Confident74.4Confident117 Ų11796.4 Ų96.455%0.54750%0.502SS..Hα-helixtrans-65.5-43171.2-85.5174.8167.400111.4R722 H723 T728 S729 T730R722-E726 WeakPolarHBondContact O-CB 3.42Å; R722-E726 PolarHBondContact O-N 3.18Å; H723-E726 PolarHBondContact O-N 3.48Å; E726-T728 VanDerWaalsContact C-N 3.3Å; E726-T728 PolarHBondContact O-N 3.44Å; E726-S729 PolarHBondContact O-N 3.38Å; E726-T730 WeakPolarHBondContact O-CB 3.05Å; E726-T730 VanDerWaalsContact O-CG2 3.3Å; E726-T730 WeakPolarHBondContact O-CG2 3.28Å; E726-T730 PolarHBondContact O-N 2.83Å; E726-T730 PolarHBondContact O-OG1 3.06Å
727L77.8Confident76.1Confident77 Ų7795.6 Ų95.640%0.40350%0.497SS..Hα-helixtrans-63.5-40.3175.1-148.5109.8000110.2H723 L724 T730 M731H723-L727 WeakPolarHBondContact O-CB 3.47Å; H723-L727 PolarHBondContact O-N 2.65Å; L724-L727 PolarHBondContact O-N 2.87Å; L727-T730 WeakPolarHBondContact CA-OG1 3.47Å; L727-T730 PolarHBondContact O-OG1 3.3Å; L727-M731 HydrophobicContact CD2-CE 3.68Å; L727-M731 HydrophobicContact CG-CE 4.48Å; L727-M731 WeakPolarHBondContact O-CB 3.26Å; L727-M731 PolarHBondContact O-N 3.25Å
728T78.5Confident77.3Confident69 Ų6995.9 Ų95.942%0.42350%0.499SS..Hα-helixtrans-67.7-43.4177-55.60000110.8L724 A725 E726 M731 I732L724-T728 WeakPolarHBondContact O-CB 3.36Å; L724-T728 PolarHBondContact O-N 3.42Å; L724-T728 PolarHBondContact O-OG1 2.9Å; A725-T728 PolarHBondContact O-N 3.3Å; E726-T728 VanDerWaalsContact C-N 3.3Å; E726-T728 PolarHBondContact O-N 3.44Å; T728-M731 PolarHBondContact O-N 3.5Å; T728-I732 HydrophobicContact CG2-CD1 3.85Å; T728-I732 HydrophobicContact CG2-CG1 4.4Å; T728-I732 WeakPolarHBondContact O-CB 3.48Å; T728-I732 WeakPolarHBondContact O-CG1 3.47Å; T728-I732 PolarHBondContact O-N 3.01Å
729S79.3Confident78.6Confident79 Ų7996.1 Ų96.155%0.55250%0.5SS*.Hα-helixtrans-63.7-44.5175.3-84.60000112.2A725 E726 M731 I732 Q733A725-S729 WeakPolarHBondContact O-CB 3.39Å; A725-S729 PolarHBondContact O-N 2.94Å; A725-S729 PolarHBondContact O-OG 3.4Å; E726-S729 PolarHBondContact O-N 3.38Å; S729-M731 VanDerWaalsContact C-N 3.33Å; S729-M731 PolarHBondContact O-N 3.04Å; S729-I732 PolarHBondContact O-N 3.46Å; S729-Q733 WeakPolarHBondContact O-CB 3.34Å; S729-Q733 PolarHBondContact O-N 3.29Å
730T81.7Confident80Confident79 Ų79100.6 Ų100.649%0.48551%0.512SS..Hα-helixtrans-65.7-37.9176.7520000111.2E726 L727 Q733 Q734E726-T730 WeakPolarHBondContact O-CB 3.05Å; E726-T730 VanDerWaalsContact O-CG2 3.3Å; E726-T730 WeakPolarHBondContact O-CG2 3.28Å; E726-T730 PolarHBondContact O-N 2.83Å; E726-T730 PolarHBondContact O-OG1 3.06Å; L727-T730 WeakPolarHBondContact CA-OG1 3.47Å; L727-T730 PolarHBondContact O-OG1 3.3Å; T730-Q733 PolarHBondContact O-N 3.01Å; T730-Q734 VanDerWaalsContact O-CB 3.31Å; T730-Q734 WeakPolarHBondContact O-CB 3.44Å; T730-Q734 VanDerWaalsContact O-CG 3.28Å; T730-Q734 WeakPolarHBondContact O-CG 3.45Å; T730-Q734 PolarHBondContact O-N 2.86Å
731M80.8Confident81.2Confident106 Ų106103.4 Ų103.452%0.52252%0.52SS..Hα-helixtrans-69.7-36.3176-159.1-171.9-4800112.1L727 T728 S729 K735L727-M731 HydrophobicContact CD2-CE 3.68Å; L727-M731 HydrophobicContact CG-CE 4.48Å; L727-M731 WeakPolarHBondContact O-CB 3.26Å; L727-M731 PolarHBondContact O-N 3.25Å; T728-M731 PolarHBondContact O-N 3.5Å; S729-M731 VanDerWaalsContact C-N 3.33Å; S729-M731 PolarHBondContact O-N 3.04Å; M731-K735 WeakPolarHBondContact O-CB 3.37Å; M731-K735 PolarHBondContact O-N 2.79Å
732I84.2Confident82Confident91 Ų91102.8 Ų102.847%0.46752%0.517SS..Hα-helixtrans-66-43.7171.5-72166.1000110.6T728 S729 K735 M736T728-I732 HydrophobicContact CG2-CD1 3.85Å; T728-I732 HydrophobicContact CG2-CG1 4.4Å; T728-I732 WeakPolarHBondContact O-CB 3.48Å; T728-I732 WeakPolarHBondContact O-CG1 3.47Å; T728-I732 PolarHBondContact O-N 3.01Å; S729-I732 PolarHBondContact O-N 3.46Å; I732-K735 WeakPolarHBondContact O-CB 3.28Å; I732-K735 PolarHBondContact O-N 3.4Å; I732-M736 PolarHBondContact O-N 2.92Å
733Q86.8Confident82.9Confident102 Ų102102.2 Ų102.248%0.47752%0.519SS..Hα-helixtrans-64.9-48.6178.2-174.759.745.300111S729 T730 K735 M736 D737S729-Q733 WeakPolarHBondContact O-CB 3.34Å; S729-Q733 PolarHBondContact O-N 3.29Å; T730-Q733 PolarHBondContact O-N 3.01Å; Q733-K735 VanDerWaalsContact C-N 3.28Å; Q733-K735 PolarHBondContact O-N 2.83Å; Q733-M736 WeakPolarHBondContact O-CB 3.39Å; Q733-M736 PolarHBondContact O-N 3.22Å; Q733-D737 PolarHBondContact NE2-OD1 2.8Å; Q733-D737 PolarHBondContact NE2-OD2 3.34Å; Q733-D737 PolarHBondContact O-N 3.24Å
734Q82.5Confident83.9Confident123 Ų123102.1 Ų102.158%0.57552%0.521SS*.Hα-helixtrans-57.6-40.9173.4-78178.8-14.700111.8T730 D737 L738T730-Q734 VanDerWaalsContact O-CB 3.31Å; T730-Q734 WeakPolarHBondContact O-CB 3.44Å; T730-Q734 VanDerWaalsContact O-CG 3.28Å; T730-Q734 WeakPolarHBondContact O-CG 3.45Å; T730-Q734 PolarHBondContact O-N 2.86Å; Q734-D737 PolarHBondContact O-N 2.68Å; Q734-L738 VanDerWaalsContact O-CB 3.28Å; Q734-L738 WeakPolarHBondContact O-CB 3.43Å; Q734-L738 WeakPolarHBondContact O-CG 3.36Å; Q734-L738 PolarHBondContact O-N 2.92Å
735K84.7Confident84.5Confident135 Ų135100.4 Ų100.459%0.58751%0.513SS*.Hα-helixtrans-61.9-44.5173.4175.8-174.9172.7-179.20111.6M731 I732 Q733 L739M731-K735 WeakPolarHBondContact O-CB 3.37Å; M731-K735 PolarHBondContact O-N 2.79Å; I732-K735 WeakPolarHBondContact O-CB 3.28Å; I732-K735 PolarHBondContact O-N 3.4Å; Q733-K735 VanDerWaalsContact C-N 3.28Å; Q733-K735 PolarHBondContact O-N 2.83Å; K735-L739 HydrophobicContact CG-CD1 4.09Å; K735-L739 WeakPolarHBondContact O-CB 3.3Å; K735-L739 VanDerWaalsContact O-CG 3.28Å; K735-L739 WeakPolarHBondContact O-CG 3.41Å; K735-L739 PolarHBondContact O-N 3.27Å
736M87.1Confident85.1Confident121 Ų121102.8 Ų102.860%0.59652%0.515SS*.Hα-helixtrans-63.3-42.7176.7-82.1-161.1171.900111.7I732 Q733 L739 K740I732-M736 PolarHBondContact O-N 2.92Å; Q733-M736 WeakPolarHBondContact O-CB 3.39Å; Q733-M736 PolarHBondContact O-N 3.22Å; M736-L739 PolarHBondContact O-N 3.25Å; M736-K740 WeakPolarHBondContact O-CB 3.37Å; M736-K740 PolarHBondContact O-N 3.47Å
737D89Confident85.9Confident75 Ų75101.4 Ų101.440%0.40151%0.51SS..Hα-helixtrans-67.5-41178.8-67.4-29.7000111.6Q733 Q734 K740 Q741Q733-D737 PolarHBondContact NE2-OD1 2.8Å; Q733-D737 PolarHBondContact NE2-OD2 3.34Å; Q733-D737 PolarHBondContact O-N 3.24Å; Q734-D737 PolarHBondContact O-N 2.68Å; D737-K740 PolarHBondContact O-N 3.37Å; D737-Q741 PolarHBondContact O-N 3.32Å
738L84.8Confident86.5Confident104 Ų104102.6 Ų102.655%0.54551%0.514SS..Hα-helixtrans-62.8-45.7172.3-82.4164.7000111.8Q734 K740 Q741 I742Q734-L738 VanDerWaalsContact O-CB 3.28Å; Q734-L738 WeakPolarHBondContact O-CB 3.43Å; Q734-L738 WeakPolarHBondContact O-CG 3.36Å; Q734-L738 PolarHBondContact O-N 2.92Å; L738-K740 PolarHBondContact O-N 2.89Å; L738-Q741 PolarHBondContact O-N 2.77Å; L738-I742 WeakPolarHBondContact O-CB 3.25Å; L738-I742 VanDerWaalsContact O-CG1 3.25Å; L738-I742 WeakPolarHBondContact O-CG1 3.46Å; L738-I742 PolarHBondContact O-N 3.38Å
739L90Very high86.9Confident99 Ų99104.2 Ų104.252%0.51852%0.516SS..Hα-helixtrans-60.3-38.3175.7-79171.3000111.5K735 M736 K743K735-L739 HydrophobicContact CG-CD1 4.09Å; K735-L739 WeakPolarHBondContact O-CB 3.3Å; K735-L739 VanDerWaalsContact O-CG 3.28Å; K735-L739 WeakPolarHBondContact O-CG 3.41Å; K735-L739 PolarHBondContact O-N 3.27Å; M736-L739 PolarHBondContact O-N 3.25Å; L739-K743 WeakPolarHBondContact O-CB 3.48Å; L739-K743 PolarHBondContact O-N 3.28Å
740K90.2Very high87.4Confident159 Ų159106.2 Ų106.269%0.69152%0.517SS*.Hα-helixtrans-68.4-40.6177.2-159.1178.2-176.1-176.10111.8M736 D737 L738 K743 L744M736-K740 WeakPolarHBondContact O-CB 3.37Å; M736-K740 PolarHBondContact O-N 3.47Å; D737-K740 PolarHBondContact O-N 3.37Å; L738-K740 PolarHBondContact O-N 2.89Å; K740-K743 PolarHBondContact O-N 3.38Å; K740-L744 WeakPolarHBondContact O-CB 3.26Å; K740-L744 PolarHBondContact O-N 3.16Å
741Q90.7Very high87.9Confident122 Ų122107.4 Ų107.457%0.5752%0.517SS*.Hα-helixtrans-66-43.7173.6-76.8-161.337.100112.4D737 L738 K743 L744 N745D737-Q741 PolarHBondContact O-N 3.32Å; L738-Q741 PolarHBondContact O-N 2.77Å; Q741-K743 VanDerWaalsContact C-N 3.3Å; Q741-K743 PolarHBondContact O-N 2.87Å; Q741-L744 WeakPolarHBondContact O-CB 3.22Å; Q741-L744 PolarHBondContact O-N 3.42Å; Q741-L744 VanDerWaalsContact O-N 3.15Å; Q741-N745 WeakPolarHBondContact O-CB 3.4Å; Q741-N745 PolarHBondContact O-N 2.83Å; Q741-N745 PolarHBondContact O-OD1 2.9Å
742I84.9Confident88.3Confident86 Ų86106.7 Ų106.744%0.44151%0.512SS..Hα-helixtrans-58.4-46.2175.3-69.9165.1000109.6L738 L744 N745 E746L738-I742 WeakPolarHBondContact O-CB 3.25Å; L738-I742 VanDerWaalsContact O-CG1 3.25Å; L738-I742 WeakPolarHBondContact O-CG1 3.46Å; L738-I742 PolarHBondContact O-N 3.38Å; I742-L744 VanDerWaalsContact C-N 3.31Å; I742-L744 PolarHBondContact O-N 3.43Å; I742-N745 PolarHBondContact O-N 2.89Å; I742-E746 HydrophobicContact CG2-CG 4.35Å; I742-E746 WeakPolarHBondContact O-CB 3.37Å; I742-E746 VanDerWaalsContact O-CG 3.29Å; I742-E746 WeakPolarHBondContact O-CG 3.43Å; I742-E746 PolarHBondContact O-N 2.91Å
743K90.6Very high88.6Confident126 Ų126107.3 Ų107.355%0.54852%0.515SS..Hα-helixtrans-60.8-39.6177.3-161.976.3-174.5167.70112.5L739 K740 Q741 E746 I747L739-K743 WeakPolarHBondContact O-CB 3.48Å; L739-K743 PolarHBondContact O-N 3.28Å; K740-K743 PolarHBondContact O-N 3.38Å; Q741-K743 VanDerWaalsContact C-N 3.3Å; Q741-K743 PolarHBondContact O-N 2.87Å; K743-E746 IonicContact NZ-OE2 3.56Å; K743-I747 WeakPolarHBondContact O-CD1 3.38Å; K743-I747 VanDerWaalsContact O-CG1 3.28Å; K743-I747 WeakPolarHBondContact O-CG1 3.42Å; K743-I747 PolarHBondContact O-N 2.84Å
744L92.5Very high88.9Confident113 Ų113106.8 Ų106.859%0.59252%0.515SS*.Hα-helixtrans-67-47.7177.8-161.785000111K740 Q741 I742 E746 I747 E748K740-L744 WeakPolarHBondContact O-CB 3.26Å; K740-L744 PolarHBondContact O-N 3.16Å; Q741-L744 WeakPolarHBondContact O-CB 3.22Å; Q741-L744 PolarHBondContact O-N 3.42Å; Q741-L744 VanDerWaalsContact O-N 3.15Å; I742-L744 VanDerWaalsContact C-N 3.31Å; I742-L744 PolarHBondContact O-N 3.43Å; L744-E746 VanDerWaalsContact C-N 3.33Å; L744-E746 PolarHBondContact O-N 3.1Å; L744-I747 PolarHBondContact O-N 3.13Å; L744-I747 VanDerWaalsContact O-N 3.13Å; L744-E748 PolarHBondContact O-N 3.48Å
745N86.5Confident89.4Confident71 Ų71107.5 Ų107.538%0.3852%0.516SS..Hα-helixtrans-63.1-38.3177.2-70.31.7000111.6Q741 I742 I747 E748 H749Q741-N745 WeakPolarHBondContact O-CB 3.4Å; Q741-N745 PolarHBondContact O-N 2.83Å; Q741-N745 PolarHBondContact O-OD1 2.9Å; I742-N745 PolarHBondContact O-N 2.89Å; N745-I747 VanDerWaalsContact C-N 3.31Å; N745-I747 PolarHBondContact O-N 2.96Å; N745-E748 PolarHBondContact O-N 3.31Å; N745-H749 WeakPolarHBondContact O-CB 3.24Å; N745-H749 PolarHBondContact O-CD2 3.01Å; N745-H749 VanDerWaalsContact O-CG 3.32Å; N745-H749 PolarHBondContact O-N 3.35Å
746E89.3Confident89.6Confident104 Ų104104.6 Ų104.649%0.48651%0.51SS..Hα-helixtrans-59-42.3173.2-79.7175.4176.700111.6I742 K743 L744 H750I742-E746 HydrophobicContact CG2-CG 4.35Å; I742-E746 WeakPolarHBondContact O-CB 3.37Å; I742-E746 VanDerWaalsContact O-CG 3.29Å; I742-E746 WeakPolarHBondContact O-CG 3.43Å; I742-E746 PolarHBondContact O-N 2.91Å; K743-E746 IonicContact NZ-OE2 3.56Å; L744-E746 VanDerWaalsContact C-N 3.33Å; L744-E746 PolarHBondContact O-N 3.1Å; E746-H750 VanDerWaalsContact O-CB 3.26Å; E746-H750 WeakPolarHBondContact O-CB 3.28Å; E746-H750 PolarHBondContact O-N 2.9Å
747I91.6Very high89.8Confident89 Ų89105.8 Ų105.846%0.45651%0.512SS..Hα-helixtrans-68-46.6177.9-67.9164.4000110.3K743 L744 N745 H750 E751K743-I747 WeakPolarHBondContact O-CD1 3.38Å; K743-I747 VanDerWaalsContact O-CG1 3.28Å; K743-I747 WeakPolarHBondContact O-CG1 3.42Å; K743-I747 PolarHBondContact O-N 2.84Å; L744-I747 PolarHBondContact O-N 3.13Å; L744-I747 VanDerWaalsContact O-N 3.13Å; N745-I747 VanDerWaalsContact C-N 3.31Å; N745-I747 PolarHBondContact O-N 2.96Å; I747-H750 PolarHBondContact O-N 3.21Å; I747-E751 WeakPolarHBondContact O-CG 3.46Å; I747-E751 PolarHBondContact O-N 3.03Å
748E90.6Very high90Very high102 Ų102104.9 Ų104.948%0.47751%0.511SS..Hα-helixtrans-60.4-48.7179-173.5171.1-163.500111.4L744 N745 H750 E751 E752L744-E748 PolarHBondContact O-N 3.48Å; N745-E748 PolarHBondContact O-N 3.31Å; E748-H750 VanDerWaalsContact C-N 3.32Å; E748-H750 PolarHBondContact O-N 3.26Å; E748-E751 PolarHBondContact O-N 3.05Å; E748-E752 WeakPolarHBondContact O-CG 3.26Å; E748-E752 PolarHBondContact O-N 3.32Å
749H87.8Confident90.4Very high103 Ų103104.7 Ų104.748%0.47751%0.51SS..Hα-helixtrans-62.7-37.1174.8-71.7-42.4000112.5N745 E751 E752 I753N745-H749 WeakPolarHBondContact O-CB 3.24Å; N745-H749 PolarHBondContact O-CD2 3.01Å; N745-H749 VanDerWaalsContact O-CG 3.32Å; N745-H749 PolarHBondContact O-N 3.35Å; H749-E751 VanDerWaalsContact C-N 3.34Å; H749-E751 PolarHBondContact O-N 2.95Å; H749-E752 IonicContact ND1-OE2 3.86Å; H749-E752 PolarHBondContact ND1-OE2 2.99Å; H749-E752 PolarHBondContact O-N 3.41Å; H749-I753 WeakPolarHBondContact O-CB 3.43Å; H749-I753 WeakPolarHBondContact O-CD1 3.31Å; H749-I753 WeakPolarHBondContact O-CG1 3.35Å; H749-I753 PolarHBondContact O-N 3.47Å
750H90.3Very high90.4Very high121 Ų121104 Ų10456%0.5651%0.506SS*.Hα-helixtrans-63.9-40.7175.4-164.768.6000111.6E746 I747 E748 I753 I754E746-H750 VanDerWaalsContact O-CB 3.26Å; E746-H750 WeakPolarHBondContact O-CB 3.28Å; E746-H750 PolarHBondContact O-N 2.9Å; I747-H750 PolarHBondContact O-N 3.21Å; E748-H750 VanDerWaalsContact C-N 3.32Å; E748-H750 PolarHBondContact O-N 3.26Å; H750-I753 PolarHBondContact O-N 3.18Å; H750-I754 VanDerWaalsContact O-CG1 3.26Å; H750-I754 WeakPolarHBondContact O-CG1 3.49Å; H750-I754 PolarHBondContact O-N 3.42Å
751E91.9Very high90.5Very high104 Ų104102.5 Ų102.549%0.48650%0.501SS..Hα-helixtrans-66-40174.4-72.6-174-177.700112.7I747 E748 H749 I754 K755I747-E751 WeakPolarHBondContact O-CG 3.46Å; I747-E751 PolarHBondContact O-N 3.03Å; E748-E751 PolarHBondContact O-N 3.05Å; H749-E751 VanDerWaalsContact C-N 3.34Å; H749-E751 PolarHBondContact O-N 2.95Å; E751-I754 PolarHBondContact O-N 3.44Å; E751-K755 WeakPolarHBondContact O-CB 3.43Å; E751-K755 WeakPolarHBondContact O-CG 3.46Å; E751-K755 PolarHBondContact O-N 2.73Å
752E89.4Confident90.7Very high91 Ų91101.2 Ų101.243%0.42550%0.498SS..Hα-helixtrans-63.4-42.6173.8-72.6179.8154.100112E748 H749 I754 K755 T756E748-E752 WeakPolarHBondContact O-CG 3.26Å; E748-E752 PolarHBondContact O-N 3.32Å; H749-E752 IonicContact ND1-OE2 3.86Å; H749-E752 PolarHBondContact ND1-OE2 2.99Å; H749-E752 PolarHBondContact O-N 3.41Å; E752-I754 VanDerWaalsContact C-N 3.34Å; E752-I754 PolarHBondContact O-N 3.45Å; E752-K755 PolarHBondContact O-N 2.83Å; E752-T756 WeakPolarHBondContact O-CB 3.48Å; E752-T756 WeakPolarHBondContact O-CG2 3.46Å; E752-T756 PolarHBondContact O-N 3.25Å; E752-T756 PolarHBondContact O-OG1 3.21Å
753I90.1Very high91Very high103 Ų103101.7 Ų101.753%0.52850%0.499SS..Hα-helixtrans-63.4-41.5175.4-70.4165.5000110.5H749 H750 T756 K757H749-I753 WeakPolarHBondContact O-CB 3.43Å; H749-I753 WeakPolarHBondContact O-CD1 3.31Å; H749-I753 WeakPolarHBondContact O-CG1 3.35Å; H749-I753 PolarHBondContact O-N 3.47Å; H750-I753 PolarHBondContact O-N 3.18Å; I753-T756 VanDerWaalsContact CA-OG1 3.31Å; I753-T756 WeakPolarHBondContact CA-OG1 3.29Å; I753-T756 PolarHBondContact O-OG1 2.81Å; I753-K757 WeakPolarHBondContact O-CB 3.45Å; I753-K757 PolarHBondContact O-N 3.07Å
754I92.2Very high91Very high92 Ų92104 Ų10447%0.47250%0.504SS..Hα-helixtrans-64-44.7175.4-70.6166000110.6H750 E751 E752 K757 S758H750-I754 VanDerWaalsContact O-CG1 3.26Å; H750-I754 WeakPolarHBondContact O-CG1 3.49Å; H750-I754 PolarHBondContact O-N 3.42Å; E751-I754 PolarHBondContact O-N 3.44Å; E752-I754 VanDerWaalsContact C-N 3.34Å; E752-I754 PolarHBondContact O-N 3.45Å; I754-K757 PolarHBondContact O-N 2.71Å; I754-S758 WeakPolarHBondContact O-CB 3.47Å; I754-S758 PolarHBondContact O-N 3.09Å
755K92.7Very high91.1Very high138 Ų138104.7 Ų104.760%0.650%0.502SS*.Hα-helixtrans-62.8-46.4178.2-78.4172.5-175164.70112.1E751 E752 S758 L759E751-K755 WeakPolarHBondContact O-CB 3.43Å; E751-K755 WeakPolarHBondContact O-CG 3.46Å; E751-K755 PolarHBondContact O-N 2.73Å; E752-K755 PolarHBondContact O-N 2.83Å; K755-S758 WeakPolarHBondContact O-CB 3.12Å; K755-S758 PolarHBondContact O-N 3.46Å; K755-L759 WeakPolarHBondContact O-CB 3.25Å; K755-L759 PolarHBondContact O-N 3.39Å
756T89.6Confident91.4Very high74 Ų74107.6 Ų107.645%0.45452%0.515SS..Hα-helixtrans-65.6-43.6178.149.20000111.4E752 I753 S758 L759 I760E752-T756 WeakPolarHBondContact O-CB 3.48Å; E752-T756 WeakPolarHBondContact O-CG2 3.46Å; E752-T756 PolarHBondContact O-N 3.25Å; E752-T756 PolarHBondContact O-OG1 3.21Å; I753-T756 VanDerWaalsContact CA-OG1 3.31Å; I753-T756 WeakPolarHBondContact CA-OG1 3.29Å; I753-T756 PolarHBondContact O-OG1 2.81Å; T756-S758 VanDerWaalsContact C-N 3.33Å; T756-S758 PolarHBondContact O-N 3.46Å; T756-L759 PolarHBondContact O-N 3.45Å; T756-I760 WeakPolarHBondContact O-CB 3.44Å; T756-I760 VanDerWaalsContact O-CG1 3.27Å; T756-I760 WeakPolarHBondContact O-CG1 3.12Å; T756-I760 PolarHBondContact O-N 3.29Å
757K90.8Very high91.7Very high146 Ų146107.6 Ų107.664%0.63552%0.518SS*.Hα-helixtrans-60-42.8173.3-174.6178.2179.4179.70112I753 I754 Q761I753-K757 WeakPolarHBondContact O-CB 3.45Å; I753-K757 PolarHBondContact O-N 3.07Å; I754-K757 PolarHBondContact O-N 2.71Å; K757-Q761 VanDerWaalsContact O-CB 3.22Å; K757-Q761 WeakPolarHBondContact O-CB 3.11Å; K757-Q761 PolarHBondContact O-N 3.02Å
758S93Very high91.7Very high56 Ų56109 Ų10939%0.39252%0.523SS..Hα-helixtrans-60.9-46.5173.9155.80000111.8I754 K755 T756 Q761 N762I754-S758 WeakPolarHBondContact O-CB 3.47Å; I754-S758 PolarHBondContact O-N 3.09Å; K755-S758 WeakPolarHBondContact O-CB 3.12Å; K755-S758 PolarHBondContact O-N 3.46Å; T756-S758 VanDerWaalsContact C-N 3.33Å; T756-S758 PolarHBondContact O-N 3.46Å; S758-Q761 PolarHBondContact O-N 2.67Å; S758-N762 WeakPolarHBondContact O-CB 3.37Å; S758-N762 VanDerWaalsContact O-CG 3.23Å; S758-N762 PolarHBondContact O-N 2.96Å; S758-N762 PolarHBondContact O-ND2 3.07Å
759L93.6Very high91.8Very high100 Ų100108.1 Ų108.152%0.52452%0.522SS..Hα-helixtrans-62-50.9179.7-176.167000111.1K755 T756 Q761 N762 E763K755-L759 WeakPolarHBondContact O-CB 3.25Å; K755-L759 PolarHBondContact O-N 3.39Å; T756-L759 PolarHBondContact O-N 3.45Å; L759-Q761 VanDerWaalsContact C-N 3.35Å; L759-Q761 PolarHBondContact O-N 2.89Å; L759-N762 PolarHBondContact O-N 2.89Å; L759-N762 VanDerWaalsContact O-N 3.14Å; L759-E763 WeakPolarHBondContact O-CG 3.48Å; L759-E763 PolarHBondContact O-N 3.43Å
760I91Very high92.1Very high84 Ų84106.9 Ų106.943%0.43152%0.519SS..Hα-helixtrans-57.7-49.6176.3-67.7168.2000109.4T756 N762 E763 W764T756-I760 WeakPolarHBondContact O-CB 3.44Å; T756-I760 VanDerWaalsContact O-CG1 3.27Å; T756-I760 WeakPolarHBondContact O-CG1 3.12Å; T756-I760 PolarHBondContact O-N 3.29Å; I760-N762 VanDerWaalsContact C-N 3.26Å; I760-N762 PolarHBondContact O-N 2.77Å; I760-E763 PolarHBondContact O-N 3.08Å; I760-E763 VanDerWaalsContact O-N 3.14Å; I760-W764 PolarHBondContact O-N 2.81Å
761Q92.4Very high92.3Very high127 Ų127106.6 Ų106.659%0.59352%0.516SS*.Hα-helixtrans-57.5-38.9178.6-175.71741.100112.6K757 S758 L759 K765K757-Q761 VanDerWaalsContact O-CB 3.22Å; K757-Q761 WeakPolarHBondContact O-CB 3.11Å; K757-Q761 PolarHBondContact O-N 3.02Å; S758-Q761 PolarHBondContact O-N 2.67Å; L759-Q761 VanDerWaalsContact C-N 3.35Å; L759-Q761 PolarHBondContact O-N 2.89Å; Q761-K765 VanDerWaalsContact O-CB 3.23Å; Q761-K765 WeakPolarHBondContact O-CB 3.39Å; Q761-K765 PolarHBondContact O-N 3.07Å
762N93.1Very high92.3Very high95 Ų95105.4 Ų105.451%0.50851%0.512SS..Hα-helixtrans-69.9-40.4176.4-71.7-25.6000112.6S758 L759 I760 K765 M766S758-N762 WeakPolarHBondContact O-CB 3.37Å; S758-N762 VanDerWaalsContact O-CG 3.23Å; S758-N762 PolarHBondContact O-N 2.96Å; S758-N762 PolarHBondContact O-ND2 3.07Å; L759-N762 PolarHBondContact O-N 2.89Å; L759-N762 VanDerWaalsContact O-N 3.14Å; I760-N762 VanDerWaalsContact C-N 3.26Å; I760-N762 PolarHBondContact O-N 2.77Å; N762-K765 PolarHBondContact O-N 3.1Å; N762-M766 WeakPolarHBondContact O-CB 3.45Å; N762-M766 PolarHBondContact O-N 2.76Å
763E92.2Very high92.4Very high96 Ų96103.1 Ų103.145%0.44951%0.509SS..Hα-helixtrans-63-48175.4-73.6177.6168.800111.5L759 I760 K765 M766 I767L759-E763 WeakPolarHBondContact O-CG 3.48Å; L759-E763 PolarHBondContact O-N 3.43Å; I760-E763 PolarHBondContact O-N 3.08Å; I760-E763 VanDerWaalsContact O-N 3.14Å; E763-K765 VanDerWaalsContact C-N 3.31Å; E763-K765 PolarHBondContact O-N 3.04Å; E763-M766 PolarHBondContact O-N 3.37Å; E763-I767 VanDerWaalsContact O-CG1 3.29Å; E763-I767 WeakPolarHBondContact O-CG1 3.38Å; E763-I767 PolarHBondContact O-N 2.65Å
764W90.8Very high92.6Very high176 Ų176103 Ų10367%0.66751%0.505SS*.Hα-helixtrans-61-41.3176.1-81.490.4000111.8I760 I767 M768I760-W764 PolarHBondContact O-N 2.81Å; W764-I767 PolarHBondContact O-N 3.29Å; W764-M768 VanDerWaalsContact O-CB 3.27Å; W764-M768 WeakPolarHBondContact O-CB 3.38Å; W764-M768 PolarHBondContact O-N 3.29Å
765K93.7Very high92.6Very high127 Ų127102.7 Ų102.755%0.55250%0.504SS*.Hα-helixtrans-62-45.5174.5-175.9179.5177.8-174.20111.3Q761 N762 E763 I767 M768 D769Q761-K765 VanDerWaalsContact O-CB 3.23Å; Q761-K765 WeakPolarHBondContact O-CB 3.39Å; Q761-K765 PolarHBondContact O-N 3.07Å; N762-K765 PolarHBondContact O-N 3.1Å; E763-K765 VanDerWaalsContact C-N 3.31Å; E763-K765 PolarHBondContact O-N 3.04Å; K765-I767 PolarHBondContact O-N 3.47Å; K765-M768 PolarHBondContact O-N 3.01Å; K765-D769 WeakPolarHBondContact O-CB 3.35Å; K765-D769 PolarHBondContact O-N 2.94Å
766M94.2Very high92.6Very high132 Ų132100.7 Ų100.765%0.6550%0.499SS*.Hα-helixtrans-63.6-42.5179.3-168.5-175.975.200112.1N762 E763 D769 D770N762-M766 WeakPolarHBondContact O-CB 3.45Å; N762-M766 PolarHBondContact O-N 2.76Å; E763-M766 PolarHBondContact O-N 3.37Å; M766-D769 PolarHBondContact O-N 2.7Å; M766-D770 WeakPolarHBondContact O-CB 3.2Å; M766-D770 PolarHBondContact O-N 2.87Å
767I94Very high92.8Very high104 Ų104102.1 Ų102.153%0.53350%0.504SS..Hα-helixtrans-64.6-42.6176-67165000110.7E763 W764 K765 K771E763-I767 VanDerWaalsContact O-CG1 3.29Å; E763-I767 WeakPolarHBondContact O-CG1 3.38Å; E763-I767 PolarHBondContact O-N 2.65Å; W764-I767 PolarHBondContact O-N 3.29Å; K765-I767 PolarHBondContact O-N 3.47Å; I767-K771 WeakPolarHBondContact O-CB 3.32Å; I767-K771 PolarHBondContact O-N 3.21Å
768M91.6Very high92.7Very high117 Ų11799.7 Ų99.758%0.57650%0.495SS*.Hα-helixtrans-64.3-46.2177.3-173.1179.7-70.300111.1W764 K765 K771 I772W764-M768 VanDerWaalsContact O-CB 3.27Å; W764-M768 WeakPolarHBondContact O-CB 3.38Å; W764-M768 PolarHBondContact O-N 3.29Å; K765-M768 PolarHBondContact O-N 3.01Å; M768-K771 PolarHBondContact O-N 3.25Å; M768-I772 HydrophobicContact CG-CD1 3.87Å; M768-I772 WeakPolarHBondContact O-CB 3.33Å; M768-I772 VanDerWaalsContact O-CG1 3.24Å; M768-I772 WeakPolarHBondContact O-CG1 3.44Å; M768-I772 PolarHBondContact O-N 2.82Å
769D93.7Very high92.6Very high85 Ų85101.2 Ų101.246%0.45550%0.499SS..Hα-helixtrans-63.1-42.8178-71.2-19.1000111.2K765 M766 I772 A773K765-D769 WeakPolarHBondContact O-CB 3.35Å; K765-D769 PolarHBondContact O-N 2.94Å; M766-D769 PolarHBondContact O-N 2.7Å; D769-I772 PolarHBondContact O-N 2.79Å; D769-A773 WeakPolarHBondContact O-CB 3.36Å; D769-A773 PolarHBondContact O-N 2.81Å
770D93.6Very high92.5Very high77 Ų7799 Ų9941%0.41250%0.495SS..Hα-helixtrans-62.8-41.3173.8177.265.5000112M766 A773 K774M766-D770 WeakPolarHBondContact O-CB 3.2Å; M766-D770 PolarHBondContact O-N 2.87Å; D770-A773 PolarHBondContact O-N 3.47Å; D770-K774 WeakPolarHBondContact O-CG 3.04Å; D770-K774 PolarHBondContact O-N 2.8Å; D770-K774 WeakPolarHBondContact OD1-CE 3.36Å; D770-K774 IonicContact OD1-NZ 3.63Å; D770-K774 PolarHBondContact OD1-NZ 3.17Å; D770-K774 WeakPolarHBondContact OD2-CE 3.33Å; D770-K774 IonicContact OD2-NZ 3.39Å; D770-K774 PolarHBondContact OD2-NZ 2.7Å
771K94.9Very high92.6Very high114 Ų11499.8 Ų99.850%0.49650%0.5SS..Hα-helixtrans-68.4-39.2177.9-172.657.7176.9173.60112I767 M768 L775I767-K771 WeakPolarHBondContact O-CB 3.32Å; I767-K771 PolarHBondContact O-N 3.21Å; M768-K771 PolarHBondContact O-N 3.25Å; K771-L775 HydrophobicContact CG-CD1 4.39Å; K771-L775 WeakPolarHBondContact O-CB 3.07Å; K771-L775 WeakPolarHBondContact O-CG 3.13Å; K771-L775 PolarHBondContact O-N 2.8Å
772I91Very high92.5Very high79 Ų79100 Ų10041%0.40550%0.499SS..Hα-helixtrans-64.4-44.3174.1-70.7167.3000110.1M768 D769 L775 N776M768-I772 HydrophobicContact CG-CD1 3.87Å; M768-I772 WeakPolarHBondContact O-CB 3.33Å; M768-I772 VanDerWaalsContact O-CG1 3.24Å; M768-I772 WeakPolarHBondContact O-CG1 3.44Å; M768-I772 PolarHBondContact O-N 2.82Å; D769-I772 PolarHBondContact O-N 2.79Å; I772-L775 PolarHBondContact O-N 3.48Å; I772-N776 WeakPolarHBondContact O-CB 3.31Å; I772-N776 PolarHBondContact O-N 2.96Å; I772-N776 PolarHBondContact O-ND2 2.69Å
773A92.9Very high92.4Very high43 Ų4399.9 Ų99.936%0.35550%0.497SS..Hα-helixtrans-59.1-50.2176.900000111.5D769 D770 L775 N776 D777D769-A773 WeakPolarHBondContact O-CB 3.36Å; D769-A773 PolarHBondContact O-N 2.81Å; D770-A773 PolarHBondContact O-N 3.47Å; A773-L775 PolarHBondContact O-N 2.91Å; A773-N776 WeakPolarHBondContact O-CB 3.34Å; A773-N776 PolarHBondContact O-N 3.41Å; A773-N776 VanDerWaalsContact O-N 3.12Å; A773-D777 PolarHBondContact O-N 2.94Å
774K93.2Very high92.4Very high102 Ų102100 Ų10044%0.44350%0.498SS..Hα-helixtrans-58.8-43.5176.7-74.9170.8180161.70112.9D770 N776 D777 E778D770-K774 WeakPolarHBondContact O-CG 3.04Å; D770-K774 PolarHBondContact O-N 2.8Å; D770-K774 WeakPolarHBondContact OD1-CE 3.36Å; D770-K774 IonicContact OD1-NZ 3.63Å; D770-K774 PolarHBondContact OD1-NZ 3.17Å; D770-K774 WeakPolarHBondContact OD2-CE 3.33Å; D770-K774 IonicContact OD2-NZ 3.39Å; D770-K774 PolarHBondContact OD2-NZ 2.7Å; K774-N776 VanDerWaalsContact C-N 3.32Å; K774-N776 PolarHBondContact O-N 2.89Å; K774-D777 PolarHBondContact O-N 2.79Å; K774-E778 WeakPolarHBondContact O-CB 3.47Å; K774-E778 WeakPolarHBondContact O-CG 3.45Å; K774-E778 PolarHBondContact O-N 3.42Å
775L92.5Very high92.5Very high85 Ų8598.5 Ų98.545%0.44550%0.496SS..Hα-helixtrans-65.3-37.1176.8-76.7173.3000112.2K771 I772 A773 N779K771-L775 HydrophobicContact CG-CD1 4.39Å; K771-L775 WeakPolarHBondContact O-CB 3.07Å; K771-L775 WeakPolarHBondContact O-CG 3.13Å; K771-L775 PolarHBondContact O-N 2.8Å; I772-L775 PolarHBondContact O-N 3.48Å; A773-L775 PolarHBondContact O-N 2.91Å; L775-N779 WeakPolarHBondContact O-CB 3.29Å; L775-N779 PolarHBondContact O-N 3.34Å
776N92.9Very high92.5Very high95 Ų9595 Ų9551%0.50849%0.491SS..Hα-helixtrans-67.1-42.1176.1-73.1-21.5000111.6I772 A773 K774 N779 A780I772-N776 WeakPolarHBondContact O-CB 3.31Å; I772-N776 PolarHBondContact O-N 2.96Å; I772-N776 PolarHBondContact O-ND2 2.69Å; A773-N776 WeakPolarHBondContact O-CB 3.34Å; A773-N776 PolarHBondContact O-N 3.41Å; A773-N776 VanDerWaalsContact O-N 3.12Å; K774-N776 VanDerWaalsContact C-N 3.32Å; K774-N776 PolarHBondContact O-N 2.89Å; N776-N779 PolarHBondContact O-N 3.39Å; N776-A780 WeakPolarHBondContact O-CB 3.29Å; N776-A780 PolarHBondContact O-N 3.49Å
777D92.7Very high92.3Very high105 Ų10592.7 Ų92.756%0.56148%0.484SS*.Hα-helixtrans-65.8-46.5177.1-67.5-19.8000111.3A773 K774 N779 A780 D781A773-D777 PolarHBondContact O-N 2.94Å; K774-D777 PolarHBondContact O-N 2.79Å; D777-N779 VanDerWaalsContact C-N 3.26Å; D777-N779 PolarHBondContact O-N 3.43Å; D777-A780 PolarHBondContact O-N 3.44Å; D777-D781 PolarHBondContact O-N 3.28Å
778E90.3Very high92.3Very high94 Ų9492.9 Ų92.944%0.43948%0.483SS..Hα-helixtrans-60.1-37.5174.6-75.2177.2-158.300112.2K774 K782K774-E778 WeakPolarHBondContact O-CB 3.47Å; K774-E778 WeakPolarHBondContact O-CG 3.45Å; K774-E778 PolarHBondContact O-N 3.42Å; E778-K782 WeakPolarHBondContact O-CB 3.38Å; E778-K782 WeakPolarHBondContact O-CD 3.19Å; E778-K782 WeakPolarHBondContact O-CG 3.44Å; E778-K782 PolarHBondContact O-N 2.86Å
779N90.1Very high92.3Very high89 Ų8991.6 Ų91.648%0.47648%0.475SS..Hα-helixtrans-70.7-41.5176.6-171.142.8000111.4L775 N776 D777 D781 K782 I783L775-N779 WeakPolarHBondContact O-CB 3.29Å; L775-N779 PolarHBondContact O-N 3.34Å; N776-N779 PolarHBondContact O-N 3.39Å; D777-N779 VanDerWaalsContact C-N 3.26Å; D777-N779 PolarHBondContact O-N 3.43Å; N779-D781 VanDerWaalsContact C-N 3.35Å; N779-D781 PolarHBondContact O-N 3.4Å; N779-K782 PolarHBondContact O-N 2.85Å; N779-I783 WeakPolarHBondContact O-CB 3.4Å; N779-I783 VanDerWaalsContact O-CG1 3.23Å; N779-I783 WeakPolarHBondContact O-CG1 3.49Å; N779-I783 PolarHBondContact O-N 3.31Å
780A92Very high92.1Very high52 Ų5292.3 Ų92.343%0.4348%0.483SS..Hα-helixtrans-60.3-44.3174.800000111.4N776 D777 I783 Q784N776-A780 WeakPolarHBondContact O-CB 3.29Å; N776-A780 PolarHBondContact O-N 3.49Å; D777-A780 PolarHBondContact O-N 3.44Å; A780-I783 PolarHBondContact O-N 2.82Å; A780-Q784 WeakPolarHBondContact O-CB 3.49Å; A780-Q784 PolarHBondContact O-N 3.32Å
781D92.2Very high92Very high101 Ų10191.4 Ų91.454%0.5449%0.485SS..Hα-helixtrans-63.6-41.6176.1-88.93.6000112.7D777 N779 Q784 K785D777-D781 PolarHBondContact O-N 3.28Å; N779-D781 VanDerWaalsContact C-N 3.35Å; N779-D781 PolarHBondContact O-N 3.4Å; D781-Q784 PolarHBondContact O-N 2.89Å; D781-K785 WeakPolarHBondContact O-CB 3.44Å; D781-K785 WeakPolarHBondContact O-CG 3.41Å; D781-K785 PolarHBondContact O-N 3.35Å
782K91.5Very high91.9Very high133 Ų13392.2 Ų92.258%0.57849%0.485SS*.Hα-helixtrans-63.6-42.7175.9-76.3167.8-173.3165.20111.3E778 N779 A786E778-K782 WeakPolarHBondContact O-CB 3.38Å; E778-K782 WeakPolarHBondContact O-CD 3.19Å; E778-K782 WeakPolarHBondContact O-CG 3.44Å; E778-K782 PolarHBondContact O-N 2.86Å; N779-K782 PolarHBondContact O-N 2.85Å; K782-A786 WeakPolarHBondContact O-CB 3.45Å; K782-A786 PolarHBondContact O-N 2.87Å
783I91.2Very high91.9Very high92 Ų9291.6 Ų91.647%0.47249%0.485SS..Hα-helixtrans-65.2-45176.6-68.7166.5000110.1N779 A780 K785 A786 V787N779-I783 WeakPolarHBondContact O-CB 3.4Å; N779-I783 VanDerWaalsContact O-CG1 3.23Å; N779-I783 WeakPolarHBondContact O-CG1 3.49Å; N779-I783 PolarHBondContact O-N 3.31Å; A780-I783 PolarHBondContact O-N 2.82Å; I783-K785 PolarHBondContact O-N 3.21Å; I783-A786 PolarHBondContact O-N 3.47Å; I783-V787 HydrophobicContact CG2-CG2 4.34Å; I783-V787 VanDerWaalsContact O-CG2 3.31Å; I783-V787 WeakPolarHBondContact O-CG2 3.44Å; I783-V787 PolarHBondContact O-N 2.89Å
784Q92.2Very high91.6Very high98 Ų9892.8 Ų92.846%0.45848%0.483SS..Hα-helixtrans-60.4-47.9178.9-177.763.116.700111.7A780 D781 A786 V787 E788A780-Q784 WeakPolarHBondContact O-CB 3.49Å; A780-Q784 PolarHBondContact O-N 3.32Å; D781-Q784 PolarHBondContact O-N 2.89Å; Q784-A786 VanDerWaalsContact C-N 3.31Å; Q784-A786 PolarHBondContact O-N 3.28Å; Q784-V787 PolarHBondContact O-N 2.92Å; Q784-E788 WeakPolarHBondContact CG-OE1 3.31Å; Q784-E788 PolarHBondContact NE2-OE1 3.38Å; Q784-E788 WeakPolarHBondContact O-CG 3.43Å; Q784-E788 PolarHBondContact O-N 2.88Å
785K93.3Very high91.4Very high144 Ų14491.2 Ų91.263%0.62649%0.486SS*.Hα-helixtrans-60.7-39.3175.5-75176-178.6172.40112.5D781 I783 E788 E789D781-K785 WeakPolarHBondContact O-CB 3.44Å; D781-K785 WeakPolarHBondContact O-CG 3.41Å; D781-K785 PolarHBondContact O-N 3.35Å; I783-K785 PolarHBondContact O-N 3.21Å; K785-E788 PolarHBondContact O-N 3.39Å; K785-E789 WeakPolarHBondContact O-CB 3.41Å; K785-E789 PolarHBondContact O-N 3.45Å
786A91.8Very high91.5Very high54 Ų5491.3 Ų91.345%0.44648%0.484SS..Hα-helixtrans-65.6-40.9175.800000111.7K782 I783 Q784 V790K782-A786 WeakPolarHBondContact O-CB 3.45Å; K782-A786 PolarHBondContact O-N 2.87Å; I783-A786 PolarHBondContact O-N 3.47Å; Q784-A786 VanDerWaalsContact C-N 3.31Å; Q784-A786 PolarHBondContact O-N 3.28Å; A786-V790 WeakPolarHBondContact O-CB 3.41Å; A786-V790 VanDerWaalsContact O-CG2 3.25Å; A786-V790 WeakPolarHBondContact O-CG2 3.45Å; A786-V790 PolarHBondContact O-N 2.77Å
787V91.5Very high91.4Very high84 Ų8492.4 Ų92.451%0.50948%0.482SS..Hα-helixtrans-65.5-43176.2170.70000111.3I783 Q784 V790 A791I783-V787 HydrophobicContact CG2-CG2 4.34Å; I783-V787 VanDerWaalsContact O-CG2 3.31Å; I783-V787 WeakPolarHBondContact O-CG2 3.44Å; I783-V787 PolarHBondContact O-N 2.89Å; Q784-V787 PolarHBondContact O-N 2.92Å; V787-V790 PolarHBondContact O-N 3.44Å; V787-A791 WeakPolarHBondContact O-CB 3.44Å; V787-A791 PolarHBondContact O-N 2.84Å
788E92.8Very high91.3Very high108 Ų10892 Ų9251%0.50548%0.477SS..Hα-helixtrans-63.3-42.4176.9-74.8171.5-172.100112.1Q784 K785 A791 R792Q784-E788 WeakPolarHBondContact CG-OE1 3.31Å; Q784-E788 PolarHBondContact NE2-OE1 3.38Å; Q784-E788 WeakPolarHBondContact O-CG 3.43Å; Q784-E788 PolarHBondContact O-N 2.88Å; K785-E788 PolarHBondContact O-N 3.39Å; E788-A791 PolarHBondContact O-N 3.31Å; E788-R792 WeakPolarHBondContact O-CB 3.36Å; E788-R792 PolarHBondContact O-N 2.83Å
789E91.7Very high91.4Very high89 Ų8994.2 Ų94.242%0.41649%0.487SS..Hα-helixtrans-66.2-42.5176.318057.8-165.500111.7K785 A791 R792 V793K785-E789 WeakPolarHBondContact O-CB 3.41Å; K785-E789 PolarHBondContact O-N 3.45Å; E789-A791 VanDerWaalsContact C-N 3.33Å; E789-A791 PolarHBondContact O-N 2.88Å; E789-R792 PolarHBondContact O-N 3.3Å; E789-R792 IonicContact OE1-CZ 2.96Å; E789-R792 IonicContact OE1-NE 3.97Å; E789-R792 IonicContact OE1-NH2 3.98Å; E789-R792 PolarHBondContact OE1-NH2 2.86Å; E789-R792 IonicContact OE2-CZ 2.93Å; E789-R792 IonicContact OE2-NE 3.98Å; E789-R792 PolarHBondContact OE2-NE 3.44Å; E789-R792 IonicContact OE2-NH2 2.74Å; E789-R792 PolarHBondContact OE2-NH2 3.1Å; E789-V793 WeakPolarHBondContact O-CG2 3.27Å; E789-V793 PolarHBondContact O-N 3.07Å
790V90.5Very high91.5Very high101 Ų10195.5 Ų95.561%0.61249%0.49SS*.Hα-helixtrans-61.6-42.7174170.10000110.8A786 V787 R792 V793 E794A786-V790 WeakPolarHBondContact O-CB 3.41Å; A786-V790 VanDerWaalsContact O-CG2 3.25Å; A786-V790 WeakPolarHBondContact O-CG2 3.45Å; A786-V790 PolarHBondContact O-N 2.77Å; V787-V790 PolarHBondContact O-N 3.44Å; V790-R792 PolarHBondContact O-N 3.47Å; V790-V793 PolarHBondContact O-N 3.45Å; V790-E794 WeakPolarHBondContact O-CB 3.39Å; V790-E794 PolarHBondContact O-N 2.63Å
791A91Very high91.5Very high57 Ų5796.4 Ų96.447%0.47149%0.487SS..Hα-helixtrans-63.5-40.1176.600000112.1V787 E788 E789 S795V787-A791 WeakPolarHBondContact O-CB 3.44Å; V787-A791 PolarHBondContact O-N 2.84Å; E788-A791 PolarHBondContact O-N 3.31Å; E789-A791 VanDerWaalsContact C-N 3.33Å; E789-A791 PolarHBondContact O-N 2.88Å; A791-S795 VanDerWaalsContact O-CB 3.29Å; A791-S795 WeakPolarHBondContact O-CB 3.47Å; A791-S795 PolarHBondContact O-N 2.8Å
792R92.9Very high91.4Very high131 Ų13197.2 Ų97.249%0.49449%0.491SS..Hα-helixtrans-64.5-47.5176.7-170.3-169.371.176.81.2111.7E788 E789 V790 S795 M796E788-R792 WeakPolarHBondContact O-CB 3.36Å; E788-R792 PolarHBondContact O-N 2.83Å; E789-R792 PolarHBondContact O-N 3.3Å; E789-R792 IonicContact OE1-CZ 2.96Å; E789-R792 IonicContact OE1-NE 3.97Å; E789-R792 IonicContact OE1-NH2 3.98Å; E789-R792 PolarHBondContact OE1-NH2 2.86Å; E789-R792 IonicContact OE2-CZ 2.93Å; E789-R792 IonicContact OE2-NE 3.98Å; E789-R792 PolarHBondContact OE2-NE 3.44Å; E789-R792 IonicContact OE2-NH2 2.74Å; E789-R792 PolarHBondContact OE2-NH2 3.1Å; V790-R792 PolarHBondContact O-N 3.47Å; R792-S795 PolarHBondContact O-N 2.86Å; R792-M796 PolarHBondContact O-N 2.77Å
793V90.8Very high91.5Very high67 Ų6794.3 Ų94.341%0.40649%0.487SS..Hα-helixtrans-63.3-43.4177.6171.20000110.7E789 V790 M796 R797E789-V793 WeakPolarHBondContact O-CG2 3.27Å; E789-V793 PolarHBondContact O-N 3.07Å; V790-V793 PolarHBondContact O-N 3.45Å; V793-M796 PolarHBondContact O-N 2.87Å; V793-R797 WeakPolarHBondContact O-CB 3.09Å; V793-R797 PolarHBondContact O-N 3.35Å
794E86.1Confident91.4Very high67 Ų6793.6 Ų93.631%0.31349%0.487SS..Hα-helixtrans-67.4-38.5179.4-176.155.6-156.200112V790 R797 Q798V790-E794 WeakPolarHBondContact O-CB 3.39Å; V790-E794 PolarHBondContact O-N 2.63Å; E794-R797 PolarHBondContact O-N 2.9Å; E794-R797 IonicContact OE1-CZ 2.82Å; E794-R797 IonicContact OE1-NE 2.86Å; E794-R797 PolarHBondContact OE1-NE 3.18Å; E794-R797 IonicContact OE1-NH2 3.78Å; E794-R797 PolarHBondContact OE1-NH2 3.26Å; E794-R797 IonicContact OE2-CZ 2.8Å; E794-R797 IonicContact OE2-NE 2.68Å; E794-R797 PolarHBondContact OE2-NE 3.4Å; E794-R797 IonicContact OE2-NH2 3.76Å; E794-Q798 WeakPolarHBondContact O-CB 3.44Å; E794-Q798 VanDerWaalsContact O-CG 3.28Å; E794-Q798 WeakPolarHBondContact O-CG 3.47Å; E794-Q798 PolarHBondContact O-N 3.02Å; E794-Q798 PolarHBondContact OE1-NE2 3.22Å
795S90.4Very high91.4Very high70 Ų7094.1 Ų94.149%0.4949%0.488SS..Hα-helixtrans-61-47.9173.1-172.10000111.7A791 R792 R797 Q798 E799A791-S795 VanDerWaalsContact O-CB 3.29Å; A791-S795 WeakPolarHBondContact O-CB 3.47Å; A791-S795 PolarHBondContact O-N 2.8Å; R792-S795 PolarHBondContact O-N 2.86Å; S795-R797 VanDerWaalsContact C-N 3.32Å; S795-R797 PolarHBondContact O-N 2.98Å; S795-Q798 PolarHBondContact O-N 3.17Å; S795-E799 PolarHBondContact O-N 2.89Å
796M93.6Very high91.4Very high86 Ų8689.9 Ų89.942%0.42448%0.48SS..Hα-helixtrans-62.4-39.1177.1-173.2168.165.400111.9R792 V793 E799 Q800R792-M796 PolarHBondContact O-N 2.77Å; V793-M796 PolarHBondContact O-N 2.87Å; M796-E799 PolarHBondContact O-N 3.27Å; M796-Q800 WeakPolarHBondContact O-CB 3.41Å; M796-Q800 WeakPolarHBondContact O-CG 3.28Å; M796-Q800 PolarHBondContact O-N 3.09Å
797R91.7Very high91.3Very high118 Ų11890.5 Ų90.545%0.44548%0.478SS..Hα-helixtrans-63.9-40.4175-167.7-168.87376.10.8111.8V793 E794 S795 L801V793-R797 WeakPolarHBondContact O-CB 3.09Å; V793-R797 PolarHBondContact O-N 3.35Å; E794-R797 PolarHBondContact O-N 2.9Å; E794-R797 IonicContact OE1-CZ 2.82Å; E794-R797 IonicContact OE1-NE 2.86Å; E794-R797 PolarHBondContact OE1-NE 3.18Å; E794-R797 IonicContact OE1-NH2 3.78Å; E794-R797 PolarHBondContact OE1-NH2 3.26Å; E794-R797 IonicContact OE2-CZ 2.8Å; E794-R797 IonicContact OE2-NE 2.68Å; E794-R797 PolarHBondContact OE2-NE 3.4Å; E794-R797 IonicContact OE2-NH2 3.76Å; S795-R797 VanDerWaalsContact C-N 3.32Å; S795-R797 PolarHBondContact O-N 2.98Å; R797-L801 VanDerWaalsContact O-CB 3.25Å; R797-L801 WeakPolarHBondContact O-CB 3.34Å; R797-L801 PolarHBondContact O-N 3.27Å
798Q89.9Confident91.2Very high98 Ų9890.5 Ų90.546%0.45847%0.474SS..Hα-helixtrans-67.4-41.1176.9-73.7175.115.800111.9E794 S795 L801 L802E794-Q798 WeakPolarHBondContact O-CB 3.44Å; E794-Q798 VanDerWaalsContact O-CG 3.28Å; E794-Q798 WeakPolarHBondContact O-CG 3.47Å; E794-Q798 PolarHBondContact O-N 3.02Å; E794-Q798 PolarHBondContact OE1-NE2 3.22Å; S795-Q798 PolarHBondContact O-N 3.17Å; Q798-L801 PolarHBondContact O-N 2.88Å; Q798-L802 WeakPolarHBondContact O-CB 3.34Å; Q798-L802 VanDerWaalsContact O-CG 3.29Å; Q798-L802 WeakPolarHBondContact O-CG 3.4Å; Q798-L802 PolarHBondContact O-N 2.79Å
799E93.2Very high91Very high139 Ų13989.7 Ų89.765%0.6547%0.473SS*.Hα-helixtrans-64.7-45.2176.6-171174.5-169.300112S795 M796 L801 L802 S803S795-E799 PolarHBondContact O-N 2.89Å; M796-E799 PolarHBondContact O-N 3.27Å; E799-L801 VanDerWaalsContact C-N 3.35Å; E799-L801 PolarHBondContact O-N 3.33Å; E799-L802 PolarHBondContact O-N 3.28Å; E799-S803 PolarHBondContact O-N 3.4Å
800Q92.3Very high91.1Very high117 Ų11791 Ų9155%0.54748%0.479SS..Hα-helixtrans-60.6-43.7173.2-73177.5-7.600111.7M796 L802 S803 V804M796-Q800 WeakPolarHBondContact O-CB 3.41Å; M796-Q800 WeakPolarHBondContact O-CG 3.28Å; M796-Q800 PolarHBondContact O-N 3.09Å; Q800-L802 VanDerWaalsContact C-N 3.33Å; Q800-L802 PolarHBondContact O-N 2.73Å; Q800-S803 PolarHBondContact O-N 2.89Å; Q800-V804 WeakPolarHBondContact O-CG2 3.3Å; Q800-V804 PolarHBondContact O-N 3.23Å
801L91.5Very high91.1Very high71 Ų7191.6 Ų91.637%0.37248%0.475SS..Hα-helixtrans-63.2-38.5176.9-178.464.8000112R797 Q798 E799 K805R797-L801 VanDerWaalsContact O-CB 3.25Å; R797-L801 WeakPolarHBondContact O-CB 3.34Å; R797-L801 PolarHBondContact O-N 3.27Å; Q798-L801 PolarHBondContact O-N 2.88Å; E799-L801 VanDerWaalsContact C-N 3.35Å; E799-L801 PolarHBondContact O-N 3.33Å; L801-K805 HydrophobicContact CG-CD 4.22Å; L801-K805 WeakPolarHBondContact O-CB 3.41Å; L801-K805 WeakPolarHBondContact O-CG 3.4Å; L801-K805 PolarHBondContact O-N 3.22Å
802L89.5Confident91Very high117 Ų11793.9 Ų93.961%0.61348%0.479SS*.Hα-helixtrans-67.3-40.9175.7-75.7168.5000111.6Q798 E799 Q800 K805 A806Q798-L802 WeakPolarHBondContact O-CB 3.34Å; Q798-L802 VanDerWaalsContact O-CG 3.29Å; Q798-L802 WeakPolarHBondContact O-CG 3.4Å; Q798-L802 PolarHBondContact O-N 2.79Å; E799-L802 PolarHBondContact O-N 3.28Å; Q800-L802 VanDerWaalsContact C-N 3.33Å; Q800-L802 PolarHBondContact O-N 2.73Å; L802-K805 PolarHBondContact O-N 3.02Å; L802-A806 WeakPolarHBondContact O-CB 3.25Å; L802-A806 PolarHBondContact O-N 2.9Å
803S93.1Very high90.9Very high73 Ų7392.2 Ų92.251%0.5148%0.476SS..Hα-helixtrans-62.3-46174.8178.90000112E799 Q800 K805 A806 T807E799-S803 PolarHBondContact O-N 3.4Å; Q800-S803 PolarHBondContact O-N 2.89Å; S803-K805 PolarHBondContact O-N 3.15Å; S803-A806 PolarHBondContact O-N 2.97Å; S803-T807 PolarHBondContact O-N 2.98Å; S803-T807 PolarHBondContact O-OG1 3.3Å
804V90.6Very high90.9Very high77 Ų7792.5 Ų92.547%0.46748%0.476SS..Hα-helixtrans-63-42.3174.8172.80000111Q800 A806 T807 I808Q800-V804 WeakPolarHBondContact O-CG2 3.3Å; Q800-V804 PolarHBondContact O-N 3.23Å; V804-A806 VanDerWaalsContact C-N 3.33Å; V804-A806 PolarHBondContact O-N 2.99Å; V804-T807 PolarHBondContact O-N 3.48Å; V804-T807 PolarHBondContact O-OG1 3.22Å; V804-I808 HydrophobicContact CG1-CD1 3.8Å; V804-I808 WeakPolarHBondContact O-CD1 3.48Å; V804-I808 VanDerWaalsContact O-CG1 3.25Å; V804-I808 WeakPolarHBondContact O-CG1 3.32Å; V804-I808 PolarHBondContact O-N 2.64Å
805K91.8Very high91.2Very high108 Ų10895 Ų9547%0.4749%0.485SS..Hα-helixtrans-63.3-38.6175-76.8175177.9-177.80112.4L801 L802 S803 I808 I809L801-K805 HydrophobicContact CG-CD 4.22Å; L801-K805 WeakPolarHBondContact O-CB 3.41Å; L801-K805 WeakPolarHBondContact O-CG 3.4Å; L801-K805 PolarHBondContact O-N 3.22Å; L802-K805 PolarHBondContact O-N 3.02Å; S803-K805 PolarHBondContact O-N 3.15Å; K805-I808 PolarHBondContact O-N 3.49Å; K805-I809 WeakPolarHBondContact O-CB 3.47Å; K805-I809 WeakPolarHBondContact O-CD1 3.17Å; K805-I809 WeakPolarHBondContact O-CG1 2.71Å; K805-I809 PolarHBondContact O-N 2.84Å
806A92.1Very high91.1Very high56 Ų5695.5 Ų95.546%0.46348%0.482SS..Hα-helixtrans-64.8-44.9178.700000111.9L802 S803 V804 I809 E810L802-A806 WeakPolarHBondContact O-CB 3.25Å; L802-A806 PolarHBondContact O-N 2.9Å; S803-A806 PolarHBondContact O-N 2.97Å; V804-A806 VanDerWaalsContact C-N 3.33Å; V804-A806 PolarHBondContact O-N 2.99Å; A806-I809 PolarHBondContact O-N 2.78Å; A806-E810 PolarHBondContact O-N 3.26Å
807T90.9Very high91Very high66 Ų6697.2 Ų97.241%0.40548%0.484SS..Hα-helixtrans-63.4-41.7176.151.20000112.1S803 V804 I809 E810 E811S803-T807 PolarHBondContact O-N 2.98Å; S803-T807 PolarHBondContact O-OG1 3.3Å; V804-T807 PolarHBondContact O-N 3.48Å; V804-T807 PolarHBondContact O-OG1 3.22Å; T807-I809 PolarHBondContact O-N 2.77Å; T807-E810 PolarHBondContact O-N 3.35Å; T807-E811 WeakPolarHBondContact O-CG 3.15Å; T807-E811 PolarHBondContact O-N 3.22Å
808I89.5Confident90.8Very high84 Ų8497.1 Ų97.143%0.43149%0.489SS..Hα-helixtrans-62.2-42.6174.3-67.4167.2000111.3V804 K805 E811 L812V804-I808 HydrophobicContact CG1-CD1 3.8Å; V804-I808 WeakPolarHBondContact O-CD1 3.48Å; V804-I808 VanDerWaalsContact O-CG1 3.25Å; V804-I808 WeakPolarHBondContact O-CG1 3.32Å; V804-I808 PolarHBondContact O-N 2.64Å; K805-I808 PolarHBondContact O-N 3.49Å; I808-E811 PolarHBondContact O-N 2.65Å; I808-L812 HydrophobicContact CG2-CD1 3.96Å; I808-L812 HydrophobicContact CG2-CG 4.38Å; I808-L812 WeakPolarHBondContact O-CB 3.45Å; I808-L812 VanDerWaalsContact O-CG 3.24Å; I808-L812 WeakPolarHBondContact O-CG 3.36Å; I808-L812 PolarHBondContact O-N 3.37Å
809I88.7Confident90.7Very high92 Ų9296.3 Ų96.347%0.47249%0.49SS..Hα-helixtrans-62.9-45.3177.1-71.1164.6000110.4K805 A806 T807 E811 L812 E813K805-I809 WeakPolarHBondContact O-CB 3.47Å; K805-I809 WeakPolarHBondContact O-CD1 3.17Å; K805-I809 WeakPolarHBondContact O-CG1 2.71Å; K805-I809 PolarHBondContact O-N 2.84Å; A806-I809 PolarHBondContact O-N 2.78Å; T807-I809 PolarHBondContact O-N 2.77Å; I809-E811 PolarHBondContact O-N 3.34Å; I809-L812 PolarHBondContact O-N 2.84Å; I809-E813 HydrophobicContact CG2-CG 4.34Å; I809-E813 WeakPolarHBondContact O-CB 3.36Å; I809-E813 WeakPolarHBondContact O-CG 3.49Å; I809-E813 PolarHBondContact O-N 3.22Å
810E92.6Very high90.6Very high117 Ų11797.3 Ų97.355%0.54749%0.488SS..Hα-helixtrans-61.7-42.5178.2-173.9176.8-17600112.2A806 T807 E813 N814A806-E810 PolarHBondContact O-N 3.26Å; T807-E810 PolarHBondContact O-N 3.35Å; E810-E813 PolarHBondContact O-N 3.47Å; E810-N814 WeakPolarHBondContact O-CB 3.48Å; E810-N814 PolarHBondContact O-N 2.99Å; E810-N814 PolarHBondContact O-ND2 3.5Å
811E91Very high90.5Very high113 Ų11397.4 Ų97.453%0.52849%0.489SS..Hα-helixtrans-62-42.8173.4-77-175.6-171.800112.5T807 I808 I809 N814 K815T807-E811 WeakPolarHBondContact O-CG 3.15Å; T807-E811 PolarHBondContact O-N 3.22Å; I808-E811 PolarHBondContact O-N 2.65Å; I809-E811 PolarHBondContact O-N 3.34Å; E811-N814 PolarHBondContact O-N 2.91Å; E811-K815 WeakPolarHBondContact O-CB 3.45Å; E811-K815 WeakPolarHBondContact O-CG 3.38Å; E811-K815 PolarHBondContact O-N 2.91Å
812L89.5Confident90.3Very high105 Ų10597.6 Ų97.655%0.5549%0.489SS..Hα-helixtrans-66.3-38.4177-72.1174.2000111.7I808 I809 K815 L816I808-L812 HydrophobicContact CG2-CD1 3.96Å; I808-L812 HydrophobicContact CG2-CG 4.38Å; I808-L812 WeakPolarHBondContact O-CB 3.45Å; I808-L812 VanDerWaalsContact O-CG 3.24Å; I808-L812 WeakPolarHBondContact O-CG 3.36Å; I808-L812 PolarHBondContact O-N 3.37Å; I809-L812 PolarHBondContact O-N 2.84Å; L812-K815 PolarHBondContact O-N 3.29Å; L812-L816 WeakPolarHBondContact O-CB 3.2Å; L812-L816 PolarHBondContact O-N 3.36Å
813E89.9Confident90.2Very high96 Ų9697.9 Ų97.945%0.44949%0.491SS..Hα-helixtrans-67.1-38.6174.2-74.7-175.318000112.5I809 E810 L816 R817I809-E813 HydrophobicContact CG2-CG 4.34Å; I809-E813 WeakPolarHBondContact O-CB 3.36Å; I809-E813 WeakPolarHBondContact O-CG 3.49Å; I809-E813 PolarHBondContact O-N 3.22Å; E810-E813 PolarHBondContact O-N 3.47Å; E813-L816 PolarHBondContact O-N 3.02Å; E813-R817 WeakPolarHBondContact O-CG 3.4Å; E813-R817 PolarHBondContact O-N 2.91Å; E813-R817 IonicContact OE2-NH1 2.79Å
814N91.6Very high90Very high73 Ų7396.9 Ų96.939%0.3949%0.487SS..Hα-helixtrans-62.3-48.6172.9-80.4-35.5000111.2E810 E811 L816 R817 E818E810-N814 WeakPolarHBondContact O-CB 3.48Å; E810-N814 PolarHBondContact O-N 2.99Å; E810-N814 PolarHBondContact O-ND2 3.5Å; E811-N814 PolarHBondContact O-N 2.91Å; N814-L816 VanDerWaalsContact C-N 3.28Å; N814-L816 PolarHBondContact O-N 3.26Å; N814-R817 WeakPolarHBondContact O-CB 3.46Å; N814-R817 PolarHBondContact O-N 3.08Å; N814-R817 VanDerWaalsContact O-N 3.12Å; N814-R817 PolarHBondContact OD1-NH2 3.25Å; N814-E818 PolarHBondContact O-N 3.26Å
815K91.7Very high89.9Confident118 Ų11897.9 Ų97.951%0.51349%0.487SS..Hα-helixtrans-61.1-36.9175.1-72.8174.3179.2170.80111.9E811 L812 T819E811-K815 WeakPolarHBondContact O-CB 3.45Å; E811-K815 WeakPolarHBondContact O-CG 3.38Å; E811-K815 PolarHBondContact O-N 2.91Å; L812-K815 PolarHBondContact O-N 3.29Å; K815-T819 WeakPolarHBondContact O-CB 3.34Å; K815-T819 VanDerWaalsContact O-CG2 3.26Å; K815-T819 WeakPolarHBondContact O-CG2 3.4Å; K815-T819 PolarHBondContact O-N 2.89Å; K815-T819 PolarHBondContact O-OG1 3.47Å
816L88.9Confident89.8Confident81 Ų8199.3 Ų99.342%0.42449%0.493SS..Hα-helixtrans-65.4-40.7174.2-171.980.5000111.9L812 E813 N814 T819 R820L812-L816 WeakPolarHBondContact O-CB 3.2Å; L812-L816 PolarHBondContact O-N 3.36Å; E813-L816 PolarHBondContact O-N 3.02Å; N814-L816 VanDerWaalsContact C-N 3.28Å; N814-L816 PolarHBondContact O-N 3.26Å; L816-T819 WeakPolarHBondContact CA-OG1 3.28Å; L816-T819 PolarHBondContact O-OG1 2.87Å; L816-R820 WeakPolarHBondContact O-CB 3.21Å; L816-R820 VanDerWaalsContact O-CG 3.23Å; L816-R820 WeakPolarHBondContact O-CG 3.37Å; L816-R820 PolarHBondContact O-N 3.45Å
817R91.1Very high89.6Confident122 Ų122101.3 Ų101.346%0.4649%0.493SS..Hα-helixtrans-64.6-47.1175.6-78.1-173.8-74.5-916.8111.5E813 N814 R820 Q821E813-R817 WeakPolarHBondContact O-CG 3.4Å; E813-R817 PolarHBondContact O-N 2.91Å; E813-R817 IonicContact OE2-NH1 2.79Å; N814-R817 WeakPolarHBondContact O-CB 3.46Å; N814-R817 PolarHBondContact O-N 3.08Å; N814-R817 VanDerWaalsContact O-N 3.12Å; N814-R817 PolarHBondContact OD1-NH2 3.25Å; R817-R820 PolarHBondContact O-N 3.38Å; R817-Q821 PolarHBondContact O-N 3.16Å
818E88.4Confident89.6Confident117 Ų117103.7 Ų103.755%0.54750%0.501SS..Hα-helixtrans-61.5-46.4178.8-173.5178.5-16700111.6N814 R820 Q821 I822N814-E818 PolarHBondContact O-N 3.26Å; E818-R820 VanDerWaalsContact C-N 3.33Å; E818-R820 PolarHBondContact O-N 3.34Å; E818-Q821 PolarHBondContact O-N 2.93Å; E818-I822 HydrophobicContact CG-CD1 4.03Å; E818-I822 WeakPolarHBondContact O-CG1 3.4Å; E818-I822 PolarHBondContact O-N 3.42Å
819T86.8Confident89.3Confident80 Ų80103.1 Ų103.149%0.49150%0.502SS..Hα-helixtrans-63.1-37.3176.249.60000112.8K815 L816 L823K815-T819 WeakPolarHBondContact O-CB 3.34Å; K815-T819 VanDerWaalsContact O-CG2 3.26Å; K815-T819 WeakPolarHBondContact O-CG2 3.4Å; K815-T819 PolarHBondContact O-N 2.89Å; K815-T819 PolarHBondContact O-OG1 3.47Å; L816-T819 WeakPolarHBondContact CA-OG1 3.28Å; L816-T819 PolarHBondContact O-OG1 2.87Å; T819-L823 WeakPolarHBondContact O-CB 3.32Å; T819-L823 PolarHBondContact O-N 3Å
820R90.5Very high89.2Confident161 Ų161103.5 Ų103.561%0.60850%0.502SS*.Hα-helixtrans-65.9-39.7173-77.3173.3174.9173.4-0.9112.5L816 R817 E818 L823 A824L816-R820 WeakPolarHBondContact O-CB 3.21Å; L816-R820 VanDerWaalsContact O-CG 3.23Å; L816-R820 WeakPolarHBondContact O-CG 3.37Å; L816-R820 PolarHBondContact O-N 3.45Å; R817-R820 PolarHBondContact O-N 3.38Å; E818-R820 VanDerWaalsContact C-N 3.33Å; E818-R820 PolarHBondContact O-N 3.34Å; R820-L823 PolarHBondContact O-N 2.84Å; R820-A824 WeakPolarHBondContact O-CB 3.26Å; R820-A824 PolarHBondContact O-N 2.89Å
821Q90.7Very high89.1Confident119 Ų119102.6 Ų102.656%0.55650%0.498SS*.Hα-helixtrans-64-49.2175.8179.2176.9-6.400111R817 E818 L823 A824 E825R817-Q821 PolarHBondContact O-N 3.16Å; E818-Q821 PolarHBondContact O-N 2.93Å; Q821-L823 VanDerWaalsContact C-N 3.26Å; Q821-L823 PolarHBondContact O-N 3.39Å; Q821-A824 PolarHBondContact O-N 3.46Å; Q821-A824 VanDerWaalsContact O-N 3.12Å; Q821-E825 WeakPolarHBondContact CG-OE1 3.3Å; Q821-E825 PolarHBondContact NE2-OE1 3.29Å; Q821-E825 WeakPolarHBondContact O-CG 3.2Å; Q821-E825 PolarHBondContact O-N 3.44Å
822I87.8Confident88.9Confident74 Ų74100.8 Ų100.838%0.37950%0.497SS..Hα-helixtrans-59.7-39.3177.1-66.2166.1000110.8E818 K826E818-I822 HydrophobicContact CG-CD1 4.03Å; E818-I822 WeakPolarHBondContact O-CG1 3.4Å; E818-I822 PolarHBondContact O-N 3.42Å; I822-K826 HydrophobicContact CG2-CD 4.28Å; I822-K826 HydrophobicContact CG2-CG 4.49Å; I822-K826 WeakPolarHBondContact O-CB 3.33Å; I822-K826 VanDerWaalsContact O-CG 3.31Å; I822-K826 WeakPolarHBondContact O-CG 3.32Å; I822-K826 PolarHBondContact O-N 3.41Å
823L86.5Confident88.7Confident123 Ų123101.5 Ų101.564%0.64450%0.498SS*.Hα-helixtrans-63.6-44176-172.179.4000111.6T819 R820 Q821 K826 Q827T819-L823 WeakPolarHBondContact O-CB 3.32Å; T819-L823 PolarHBondContact O-N 3Å; R820-L823 PolarHBondContact O-N 2.84Å; Q821-L823 VanDerWaalsContact C-N 3.26Å; Q821-L823 PolarHBondContact O-N 3.39Å; L823-K826 PolarHBondContact O-N 3.49Å; L823-Q827 WeakPolarHBondContact O-CB 3.35Å; L823-Q827 PolarHBondContact O-N 3.45Å
824A89Confident88.6Confident52 Ų52100.5 Ų100.543%0.4350%0.495SS..Hα-helixtrans-64.4-43.5177.700000111.7R820 Q821 K826 Q827 I828R820-A824 WeakPolarHBondContact O-CB 3.26Å; R820-A824 PolarHBondContact O-N 2.89Å; Q821-A824 PolarHBondContact O-N 3.46Å; Q821-A824 VanDerWaalsContact O-N 3.12Å; A824-K826 PolarHBondContact O-N 2.86Å; A824-Q827 PolarHBondContact O-N 3.16Å; A824-I828 WeakPolarHBondContact O-CG1 3.23Å; A824-I828 PolarHBondContact O-N 3.15Å
825E89Confident88.4Confident99 Ų99101.1 Ų101.146%0.46350%0.499SS..Hα-helixtrans-60.1-45.2174.5-72171.9-16900111.1Q821 Q827 I828 T829Q821-E825 WeakPolarHBondContact CG-OE1 3.3Å; Q821-E825 PolarHBondContact NE2-OE1 3.29Å; Q821-E825 WeakPolarHBondContact O-CG 3.2Å; Q821-E825 PolarHBondContact O-N 3.44Å; E825-Q827 VanDerWaalsContact C-N 3.34Å; E825-Q827 PolarHBondContact O-N 2.81Å; E825-I828 PolarHBondContact O-N 2.79Å; E825-T829 WeakPolarHBondContact O-CG2 3.27Å; E825-T829 PolarHBondContact O-N 3.5Å; E825-T829 PolarHBondContact O-OG1 3.46Å
826K89.8Confident88.2Confident137 Ų137101.5 Ų101.560%0.59650%0.502SS*.Hα-helixtrans-64.1-34.8175.9-77-174176.2-169.60113.7I822 L823 A824 T829 H830I822-K826 HydrophobicContact CG2-CD 4.28Å; I822-K826 HydrophobicContact CG2-CG 4.49Å; I822-K826 WeakPolarHBondContact O-CB 3.33Å; I822-K826 VanDerWaalsContact O-CG 3.31Å; I822-K826 WeakPolarHBondContact O-CG 3.32Å; I822-K826 PolarHBondContact O-N 3.41Å; L823-K826 PolarHBondContact O-N 3.49Å; A824-K826 PolarHBondContact O-N 2.86Å; K826-T829 WeakPolarHBondContact CA-OG1 3.35Å; K826-T829 PolarHBondContact O-OG1 3.3Å; K826-H830 VanDerWaalsContact O-CB 3.27Å; K826-H830 WeakPolarHBondContact O-CB 3.49Å; K826-H830 PolarHBondContact O-N 2.93Å
827Q88.2Confident88.1Confident99 Ų99100.1 Ų100.146%0.46350%0.503SS..Hα-helixtrans-66.2-43.1175.7-177.263.525.600110.6L823 A824 E825 H830 E831L823-Q827 WeakPolarHBondContact O-CB 3.35Å; L823-Q827 PolarHBondContact O-N 3.45Å; A824-Q827 PolarHBondContact O-N 3.16Å; E825-Q827 VanDerWaalsContact C-N 3.34Å; E825-Q827 PolarHBondContact O-N 2.81Å; Q827-H830 PolarHBondContact O-N 2.82Å; Q827-E831 PolarHBondContact NE2-OE1 2.82Å; Q827-E831 WeakPolarHBondContact O-CB 3.49Å; Q827-E831 WeakPolarHBondContact O-CG 3.49Å; Q827-E831 PolarHBondContact O-N 2.94Å
828I89.7Confident88Confident115 Ų11599.5 Ų99.559%0.5950%0.503SS*.Hα-helixtrans-63.8-43.8176.6-65.7164.5000110.8A824 E825 E831 S832A824-I828 WeakPolarHBondContact O-CG1 3.23Å; A824-I828 PolarHBondContact O-N 3.15Å; E825-I828 PolarHBondContact O-N 2.79Å; I828-E831 PolarHBondContact O-N 2.77Å; I828-S832 PolarHBondContact O-N 2.95Å
829T83.5Confident88Confident73 Ų73100.5 Ų100.545%0.44851%0.508SS..Hα-helixtrans-64.1-43.5177.257.90000111.4E825 K826 E831 S832 E833E825-T829 WeakPolarHBondContact O-CG2 3.27Å; E825-T829 PolarHBondContact O-N 3.5Å; E825-T829 PolarHBondContact O-OG1 3.46Å; K826-T829 WeakPolarHBondContact CA-OG1 3.35Å; K826-T829 PolarHBondContact O-OG1 3.3Å; T829-E831 PolarHBondContact O-N 3.13Å; T829-S832 WeakPolarHBondContact O-CB 3.34Å; T829-S832 PolarHBondContact O-N 3.18Å; T829-E833 WeakPolarHBondContact O-CG 3.37Å; T829-E833 PolarHBondContact O-N 3.41Å
830H88Confident87.8Confident99 Ų99100.4 Ų100.446%0.45851%0.507SS..Hα-helixtrans-62.8-39.9177176.2-90.2000112.2K826 Q827 E833 L834K826-H830 VanDerWaalsContact O-CB 3.27Å; K826-H830 WeakPolarHBondContact O-CB 3.49Å; K826-H830 PolarHBondContact O-N 2.93Å; Q827-H830 PolarHBondContact O-N 2.82Å; H830-E833 PolarHBondContact O-N 3.06Å; H830-L834 WeakPolarHBondContact O-CB 3.23Å; H830-L834 PolarHBondContact O-N 3.27Å
831E88.9Confident87.7Confident99 Ų9997.3 Ų97.346%0.46350%0.503SS..Hα-helixtrans-65.6-37.4174.9-77.3174.7-164.600112.6Q827 I828 T829 N835Q827-E831 PolarHBondContact NE2-OE1 2.82Å; Q827-E831 WeakPolarHBondContact O-CB 3.49Å; Q827-E831 WeakPolarHBondContact O-CG 3.49Å; Q827-E831 PolarHBondContact O-N 2.94Å; I828-E831 PolarHBondContact O-N 2.77Å; T829-E831 PolarHBondContact O-N 3.13Å; E831-N835 PolarHBondContact O-N 2.7Å
832S87.3Confident87.6Confident75 Ų7597 Ų9752%0.52450%0.501SS..Hα-helixtrans-64.3-49.6173.9-170.60000111.6I828 T829 L834 N835 E836I828-S832 PolarHBondContact O-N 2.95Å; T829-S832 WeakPolarHBondContact O-CB 3.34Å; T829-S832 PolarHBondContact O-N 3.18Å; S832-L834 VanDerWaalsContact C-N 3.3Å; S832-L834 PolarHBondContact O-N 2.79Å; S832-N835 PolarHBondContact O-N 3.08Å; S832-N835 VanDerWaalsContact O-N 3.17Å; S832-E836 PolarHBondContact O-N 2.88Å
833E84.3Confident87.6Confident119 Ų11998.2 Ų98.256%0.55651%0.508SS*.Hα-helixtrans-61.1-39.4177.1-72171-171.400111.5T829 H830 N835 E836 A837T829-E833 WeakPolarHBondContact O-CG 3.37Å; T829-E833 PolarHBondContact O-N 3.41Å; H830-E833 PolarHBondContact O-N 3.06Å; E833-N835 VanDerWaalsContact C-N 3.34Å; E833-N835 PolarHBondContact O-N 2.79Å; E833-E836 PolarHBondContact O-N 2.86Å; E833-A837 VanDerWaalsContact O-CB 3.28Å; E833-A837 WeakPolarHBondContact O-CB 3.36Å; E833-A837 PolarHBondContact O-N 2.8Å
834L88.1Confident87.6Confident75 Ų7596.4 Ų96.439%0.39350%0.498SS..Hα-helixtrans-64.6-37.7176.1-178.564.5000111.9H830 S832 K838H830-L834 WeakPolarHBondContact O-CB 3.23Å; H830-L834 PolarHBondContact O-N 3.27Å; S832-L834 VanDerWaalsContact C-N 3.3Å; S832-L834 PolarHBondContact O-N 2.79Å; L834-K838 VanDerWaalsContact O-CG 3.25Å; L834-K838 WeakPolarHBondContact O-CG 3.09Å; L834-K838 PolarHBondContact O-N 3.42Å
835N88.7Confident87.6Confident87 Ų8796.5 Ų96.547%0.46550%0.496SS..Hα-helixtrans-70.7-41.8176.1-78.3-11.7000111.8E831 S832 E833 A837 K838 E839E831-N835 PolarHBondContact O-N 2.7Å; S832-N835 PolarHBondContact O-N 3.08Å; S832-N835 VanDerWaalsContact O-N 3.17Å; E833-N835 VanDerWaalsContact C-N 3.34Å; E833-N835 PolarHBondContact O-N 2.79Å; N835-A837 VanDerWaalsContact C-N 3.33Å; N835-A837 PolarHBondContact O-N 2.81Å; N835-K838 WeakPolarHBondContact O-CB 3.33Å; N835-K838 PolarHBondContact O-N 3.3Å; N835-K838 VanDerWaalsContact O-N 3.15Å; N835-E839 WeakPolarHBondContact O-CG 3.5Å; N835-E839 PolarHBondContact O-N 3.05Å
836E86.9Confident87.6Confident125 Ų12599.2 Ų99.258%0.58450%0.502SS*.Hα-helixtrans-62.4-40.5173.8-170.6177179.200111.6S832 E833 K838 E839 T840S832-E836 PolarHBondContact O-N 2.88Å; E833-E836 PolarHBondContact O-N 2.86Å; E836-K838 VanDerWaalsContact C-N 3.33Å; E836-K838 PolarHBondContact O-N 3.15Å; E836-E839 PolarHBondContact O-N 2.89Å; E836-T840 WeakPolarHBondContact O-CB 3.37Å; E836-T840 WeakPolarHBondContact O-CG2 3.4Å; E836-T840 PolarHBondContact O-N 3.42Å; E836-T840 PolarHBondContact O-OG1 2.99Å
837A86.1Confident87.6Confident53 Ų5396.7 Ų96.744%0.43850%0.495SS..Hα-helixtrans-63.1-36.9173.400000112.5E833 N835 T840 N841E833-A837 VanDerWaalsContact O-CB 3.28Å; E833-A837 WeakPolarHBondContact O-CB 3.36Å; E833-A837 PolarHBondContact O-N 2.8Å; N835-A837 VanDerWaalsContact C-N 3.33Å; N835-A837 PolarHBondContact O-N 2.81Å; A837-T840 VanDerWaalsContact CA-OG1 3.31Å; A837-T840 WeakPolarHBondContact CA-OG1 3.5Å; A837-T840 PolarHBondContact O-OG1 2.65Å; A837-N841 VanDerWaalsContact O-CB 3.26Å; A837-N841 WeakPolarHBondContact O-CB 3.38Å; A837-N841 PolarHBondContact O-N 3.35Å
838K89.1Confident87.7Confident108 Ų10898.1 Ų98.147%0.4750%0.499SS..Hα-helixtrans-66.8-46173.7-75.1168.1-174.9167.50111.5L834 N835 E836 T840 N841 E842L834-K838 VanDerWaalsContact O-CG 3.25Å; L834-K838 WeakPolarHBondContact O-CG 3.09Å; L834-K838 PolarHBondContact O-N 3.42Å; N835-K838 WeakPolarHBondContact O-CB 3.33Å; N835-K838 PolarHBondContact O-N 3.3Å; N835-K838 VanDerWaalsContact O-N 3.15Å; E836-K838 VanDerWaalsContact C-N 3.33Å; E836-K838 PolarHBondContact O-N 3.15Å; K838-T840 PolarHBondContact O-N 2.68Å; K838-N841 PolarHBondContact O-N 2.95Å; K838-E842 PolarHBondContact O-N 3.31Å
839E89.7Confident87.7Confident138 Ų13899 Ų9965%0.64550%0.501SS*.Hα-helixtrans-61.7-44178.5-73.7-177.4-176.300111.9N835 E836 N841 E842 L843N835-E839 WeakPolarHBondContact O-CG 3.5Å; N835-E839 PolarHBondContact O-N 3.05Å; E836-E839 PolarHBondContact O-N 2.89Å; E839-N841 VanDerWaalsContact C-N 3.34Å; E839-N841 PolarHBondContact O-N 3.41Å; E839-E842 PolarHBondContact O-N 3.17Å; E839-L843 WeakPolarHBondContact O-CB 3.44Å; E839-L843 PolarHBondContact O-N 3.4Å
840T83Confident88Confident78 Ų78101.1 Ų101.148%0.47951%0.506SS..Hα-helixtrans-65.7-35.817652.40000112.2E836 A837 K838 L843 L844E836-T840 WeakPolarHBondContact O-CB 3.37Å; E836-T840 WeakPolarHBondContact O-CG2 3.4Å; E836-T840 PolarHBondContact O-N 3.42Å; E836-T840 PolarHBondContact O-OG1 2.99Å; A837-T840 VanDerWaalsContact CA-OG1 3.31Å; A837-T840 WeakPolarHBondContact CA-OG1 3.5Å; A837-T840 PolarHBondContact O-OG1 2.65Å; K838-T840 PolarHBondContact O-N 2.68Å; T840-L843 PolarHBondContact O-N 3.18Å; T840-L844 WeakPolarHBondContact O-CB 3.35Å; T840-L844 PolarHBondContact O-N 2.83Å
841N87.6Confident88Confident96 Ų96100.8 Ų100.851%0.51351%0.507SS..Hα-helixtrans-70.1-36.5174.7-168.124.6000112.7A837 K838 E839 L844 S845A837-N841 VanDerWaalsContact O-CB 3.26Å; A837-N841 WeakPolarHBondContact O-CB 3.38Å; A837-N841 PolarHBondContact O-N 3.35Å; K838-N841 PolarHBondContact O-N 2.95Å; E839-N841 VanDerWaalsContact C-N 3.34Å; E839-N841 PolarHBondContact O-N 3.41Å; N841-L844 PolarHBondContact O-N 2.91Å; N841-S845 WeakPolarHBondContact O-CB 3.46Å; N841-S845 PolarHBondContact O-N 3.47Å; N841-S845 PolarHBondContact O-OG 3.24Å
842E88.3Confident88.1Confident112 Ų112102 Ų10252%0.52351%0.512SS..Hα-helixtrans-63.9-43.6170.6-76-168.6-171.300111.5K838 E839 S845 R846K838-E842 PolarHBondContact O-N 3.31Å; E839-E842 PolarHBondContact O-N 3.17Å; E842-S845 WeakPolarHBondContact O-CB 3.44Å; E842-S845 PolarHBondContact O-N 2.95Å; E842-R846 WeakPolarHBondContact O-CG 3.5Å; E842-R846 PolarHBondContact O-N 3.43Å; E842-R846 IonicContact OE2-NH2 2.79Å; E842-R846 PolarHBondContact OE2-NH2 2.98Å
843L89Confident88.3Confident101 Ų101103.3 Ų103.353%0.52951%0.513SS..Hα-helixtrans-60.9-44.8175.4-168.980.7000111.3E839 T840 S845 R846 L847E839-L843 WeakPolarHBondContact O-CB 3.44Å; E839-L843 PolarHBondContact O-N 3.4Å; T840-L843 PolarHBondContact O-N 3.18Å; L843-S845 VanDerWaalsContact C-N 3.3Å; L843-S845 PolarHBondContact O-N 3.42Å; L843-R846 PolarHBondContact O-N 3Å; L843-L847 HydrophobicContact CG-CD1 4.38Å; L843-L847 PolarHBondContact O-N 3.26Å
844L85.3Confident88.5Confident84 Ų84103 Ų10344%0.4451%0.51SS..Hα-helixtrans-61.1-39.7176.2-177.865000111.6T840 N841 L847 K848T840-L844 WeakPolarHBondContact O-CB 3.35Å; T840-L844 PolarHBondContact O-N 2.83Å; N841-L844 PolarHBondContact O-N 2.91Å; L844-L847 PolarHBondContact O-N 3.45Å; L844-K848 WeakPolarHBondContact O-CB 3.37Å; L844-K848 WeakPolarHBondContact O-CG 3.05Å; L844-K848 PolarHBondContact O-N 3.22Å
845S88.6Confident88.6Confident55 Ų55103.7 Ų103.739%0.38551%0.514SS..Hα-helixtrans-65.1-40.6176.6-61.80000111.8N841 E842 L843 K848 Q849N841-S845 WeakPolarHBondContact O-CB 3.46Å; N841-S845 PolarHBondContact O-N 3.47Å; N841-S845 PolarHBondContact O-OG 3.24Å; E842-S845 WeakPolarHBondContact O-CB 3.44Å; E842-S845 PolarHBondContact O-N 2.95Å; L843-S845 VanDerWaalsContact C-N 3.3Å; L843-S845 PolarHBondContact O-N 3.42Å; S845-K848 PolarHBondContact O-N 2.95Å; S845-Q849 WeakPolarHBondContact O-CG 3.4Å; S845-Q849 PolarHBondContact O-N 2.63Å; S845-Q849 VanDerWaalsContact O-N 3.13Å
846R89.8Confident88.7Confident156 Ų156104.5 Ų104.559%0.58952%0.518SS*.Hα-helixtrans-64.6-45.4173.9-68.3175.2-167.2169.110111.9E842 L843 K848 Q849 E850E842-R846 WeakPolarHBondContact O-CG 3.5Å; E842-R846 PolarHBondContact O-N 3.43Å; E842-R846 IonicContact OE2-NH2 2.79Å; E842-R846 PolarHBondContact OE2-NH2 2.98Å; L843-R846 PolarHBondContact O-N 3Å; R846-K848 VanDerWaalsContact C-N 3.35Å; R846-K848 PolarHBondContact O-N 2.56Å; R846-Q849 WeakPolarHBondContact O-CB 3.36Å; R846-Q849 PolarHBondContact O-N 3.36Å; R846-E850 PolarHBondContact O-N 3.45Å
847L89.1Confident89Confident83 Ų83102.8 Ų102.844%0.43551%0.51SS..Hα-helixtrans-61.3-40.9176.3-95.1157.9000112.3L843 L844 Q849 E850 I851L843-L847 HydrophobicContact CG-CD1 4.38Å; L843-L847 PolarHBondContact O-N 3.26Å; L844-L847 PolarHBondContact O-N 3.45Å; L847-Q849 VanDerWaalsContact C-N 3.35Å; L847-Q849 PolarHBondContact O-N 3.13Å; L847-E850 PolarHBondContact O-N 2.87Å; L847-I851 VanDerWaalsContact O-CG1 3.32Å; L847-I851 WeakPolarHBondContact O-CG1 3.36Å; L847-I851 PolarHBondContact O-N 2.9Å
848K90.5Very high89Confident129 Ų129105.2 Ų105.256%0.56152%0.515SS*.Hα-helixtrans-61.3-42.1174.6-79.2176.8179.3176.70112.2L844 S845 R846 I851 Q852L844-K848 WeakPolarHBondContact O-CB 3.37Å; L844-K848 WeakPolarHBondContact O-CG 3.05Å; L844-K848 PolarHBondContact O-N 3.22Å; S845-K848 PolarHBondContact O-N 2.95Å; R846-K848 VanDerWaalsContact C-N 3.35Å; R846-K848 PolarHBondContact O-N 2.56Å; K848-I851 PolarHBondContact O-N 3.23Å; K848-Q852 WeakPolarHBondContact O-CB 3.09Å; K848-Q852 PolarHBondContact O-N 3Å
849Q90.5Very high89.1Confident134 Ų134105.2 Ų105.263%0.62652%0.517SS*.Hα-helixtrans-63.7-41.5175.3-72.6175.80.200111.5S845 R846 L847 Q852 L853S845-Q849 WeakPolarHBondContact O-CG 3.4Å; S845-Q849 PolarHBondContact O-N 2.63Å; S845-Q849 VanDerWaalsContact O-N 3.13Å; R846-Q849 WeakPolarHBondContact O-CB 3.36Å; R846-Q849 PolarHBondContact O-N 3.36Å; L847-Q849 VanDerWaalsContact C-N 3.35Å; L847-Q849 PolarHBondContact O-N 3.13Å; Q849-Q852 PolarHBondContact O-N 3.36Å; Q849-L853 WeakPolarHBondContact O-CB 3.37Å; Q849-L853 PolarHBondContact O-N 3.41Å
850E89.7Confident89Confident117 Ų117103.8 Ų103.855%0.54751%0.51SS..Hα-helixtrans-65.9-43177.8-169.4174.2-176.900112.2R846 L847 L853 K854R846-E850 PolarHBondContact O-N 3.45Å; L847-E850 PolarHBondContact O-N 2.87Å; E850-L853 WeakPolarHBondContact O-CB 3.44Å; E850-L853 PolarHBondContact O-N 2.64Å; E850-K854 WeakPolarHBondContact O-CG 2.99Å; E850-K854 PolarHBondContact O-N 3.46Å
851I88.5Confident89.2Confident93 Ų93105.8 Ų105.848%0.47752%0.515SS..Hα-helixtrans-59.8-47.5174-69.6167.2000110.3L847 K848 L853 K854 D855L847-I851 VanDerWaalsContact O-CG1 3.32Å; L847-I851 WeakPolarHBondContact O-CG1 3.36Å; L847-I851 PolarHBondContact O-N 2.9Å; K848-I851 PolarHBondContact O-N 3.23Å; I851-L853 VanDerWaalsContact C-N 3.26Å; I851-L853 PolarHBondContact O-N 2.98Å; I851-K854 PolarHBondContact O-N 3.29Å; I851-K854 VanDerWaalsContact O-N 3.1Å; I851-D855 PolarHBondContact O-N 2.89Å
852Q90Very high89.3Confident124 Ų124106.4 Ų106.458%0.57951%0.514SS*.Hα-helixtrans-60.2-37.1178-170.8176.38.100112.1K848 Q849 N856K848-Q852 WeakPolarHBondContact O-CB 3.09Å; K848-Q852 PolarHBondContact O-N 3Å; Q849-Q852 PolarHBondContact O-N 3.36Å; Q852-N856 WeakPolarHBondContact O-CB 3Å; Q852-N856 PolarHBondContact O-N 3.39Å; Q852-N856 PolarHBondContact O-ND2 2.77Å
853L90.7Very high89.4Confident103 Ų103104.7 Ų104.754%0.53951%0.514SS..Hα-helixtrans-67.3-41176-137.2163.6000111.4Q849 E850 I851 N856 Q857Q849-L853 WeakPolarHBondContact O-CB 3.37Å; Q849-L853 PolarHBondContact O-N 3.41Å; E850-L853 WeakPolarHBondContact O-CB 3.44Å; E850-L853 PolarHBondContact O-N 2.64Å; I851-L853 VanDerWaalsContact C-N 3.26Å; I851-L853 PolarHBondContact O-N 2.98Å; L853-N856 PolarHBondContact O-N 3.43Å; L853-Q857 HydrophobicContact CD2-CG 4.44Å; L853-Q857 WeakPolarHBondContact O-CG 3.29Å; L853-Q857 PolarHBondContact O-N 3.44Å
854K89.3Confident89.5Confident112 Ų112104.8 Ų104.849%0.48751%0.51SS..Hα-helixtrans-67.9-38.2175.5-68.6-69.1-178.3174.90112.6E850 I851 Q857 L858E850-K854 WeakPolarHBondContact O-CG 2.99Å; E850-K854 PolarHBondContact O-N 3.46Å; I851-K854 PolarHBondContact O-N 3.29Å; I851-K854 VanDerWaalsContact O-N 3.1Å; K854-Q857 PolarHBondContact O-N 3.32Å; K854-L858 WeakPolarHBondContact O-CB 3.37Å; K854-L858 WeakPolarHBondContact O-CG 3.34Å; K854-L858 PolarHBondContact O-N 2.69Å
855D91.1Very high89.7Confident89 Ų89105.3 Ų105.348%0.47651%0.513SS..Hα-helixtrans-64.1-43.5174.8-73.1-22.5000110.9I851 Q857 L858 E859I851-D855 PolarHBondContact O-N 2.89Å; D855-Q857 VanDerWaalsContact C-N 3.33Å; D855-Q857 PolarHBondContact O-N 3.43Å; D855-L858 PolarHBondContact O-N 2.7Å; D855-E859 PolarHBondContact O-N 3.22Å
856N90.9Very high89.7Confident104 Ų104107.5 Ų107.556%0.55652%0.52SS*.Hα-helixtrans-61.1-41.5174-69.9-19.8000112Q852 L853 E859 E860Q852-N856 WeakPolarHBondContact O-CB 3Å; Q852-N856 PolarHBondContact O-N 3.39Å; Q852-N856 PolarHBondContact O-ND2 2.77Å; L853-N856 PolarHBondContact O-N 3.43Å; N856-E859 PolarHBondContact O-N 3.5Å; N856-E860 PolarHBondContact O-N 3.2Å
857Q92Very high89.7Confident90 Ų90106.7 Ų106.742%0.42152%0.523SS..Hα-helixtrans-64.7-41.2175.2-74.3176.5-5.100112.1L853 K854 D855 E859 E860 M861L853-Q857 HydrophobicContact CD2-CG 4.44Å; L853-Q857 WeakPolarHBondContact O-CG 3.29Å; L853-Q857 PolarHBondContact O-N 3.44Å; K854-Q857 PolarHBondContact O-N 3.32Å; D855-Q857 VanDerWaalsContact C-N 3.33Å; D855-Q857 PolarHBondContact O-N 3.43Å; Q857-E859 VanDerWaalsContact C-N 3.32Å; Q857-E860 PolarHBondContact O-N 3.05Å; Q857-M861 VanDerWaalsContact O-CG 3.28Å; Q857-M861 WeakPolarHBondContact O-CG 3.33Å; Q857-M861 PolarHBondContact O-N 2.89Å
858L86.5Confident89.8Confident104 Ų104108.4 Ų108.455%0.54553%0.529SS..Hα-helixtrans-63.3-39.9176.2-82.5168.5000111.5K854 D855 M861 K862K854-L858 WeakPolarHBondContact O-CB 3.37Å; K854-L858 WeakPolarHBondContact O-CG 3.34Å; K854-L858 PolarHBondContact O-N 2.69Å; D855-L858 PolarHBondContact O-N 2.7Å; L858-M861 PolarHBondContact O-N 3.37Å; L858-K862 PolarHBondContact O-N 2.93Å
859E90.2Very high89.7Confident108 Ų108106 Ų10651%0.50552%0.522SS..Hα-helixtrans-72.9-34.3-179.7-146.962.1-179.800112.4D855 N856 Q857 M861 K862 S863D855-E859 PolarHBondContact O-N 3.22Å; N856-E859 PolarHBondContact O-N 3.5Å; Q857-E859 VanDerWaalsContact C-N 3.32Å; E859-M861 VanDerWaalsContact C-N 3.34Å; E859-K862 PolarHBondContact O-N 3.06Å; E859-K862 IonicContact OE1-NZ 2.79Å; E859-K862 WeakPolarHBondContact OE2-CD 3.47Å; E859-K862 IonicContact OE2-NZ 2.79Å; E859-K862 PolarHBondContact OE2-NZ 3.1Å; E859-S863 WeakPolarHBondContact O-CB 3.26Å; E859-S863 PolarHBondContact O-N 2.75Å
860E89.5Confident89.7Confident107 Ų107105.8 Ų105.850%0.552%0.521SS..Hα-helixtrans-62.2-42.7169-166.4-170.4157.400111.5N856 Q857 S863 K864N856-E860 PolarHBondContact O-N 3.2Å; Q857-E860 PolarHBondContact O-N 3.05Å; E860-S863 PolarHBondContact O-N 2.69Å; E860-K864 WeakPolarHBondContact O-CG 3.26Å; E860-K864 PolarHBondContact O-N 3.42Å; E860-K864 VanDerWaalsContact O-N 3.07Å; E860-K864 VanDerWaalsContact OE1-CE 3.31Å; E860-K864 WeakPolarHBondContact OE1-CE 3.48Å; E860-K864 IonicContact OE1-NZ 2.82Å; E860-K864 PolarHBondContact OE1-NZ 3.04Å
861M87Confident89.6Confident120 Ų120103.8 Ų103.859%0.59152%0.52SS*.Hα-helixtrans-66.9-38.7177.3-72.2-62.5-64.900112.6Q857 L858 E859 K864 L865Q857-M861 VanDerWaalsContact O-CG 3.28Å; Q857-M861 WeakPolarHBondContact O-CG 3.33Å; Q857-M861 PolarHBondContact O-N 2.89Å; L858-M861 PolarHBondContact O-N 3.37Å; E859-M861 VanDerWaalsContact C-N 3.34Å; M861-K864 PolarHBondContact O-N 3.43Å; M861-L865 WeakPolarHBondContact O-CB 3.46Å; M861-L865 PolarHBondContact O-N 3.48Å
862K89.8Confident89.5Confident110 Ų110102.3 Ų102.348%0.47851%0.513SS..Hα-helixtrans-63.1-45.8172.5-78.5-168.5-157.2141.10111.9L858 E859 K864 L865 D866L858-K862 PolarHBondContact O-N 2.93Å; E859-K862 PolarHBondContact O-N 3.06Å; E859-K862 IonicContact OE1-NZ 2.79Å; E859-K862 WeakPolarHBondContact OE2-CD 3.47Å; E859-K862 IonicContact OE2-NZ 2.79Å; E859-K862 PolarHBondContact OE2-NZ 3.1Å; K862-K864 VanDerWaalsContact C-N 3.29Å; K862-K864 PolarHBondContact O-N 3.49Å; K862-L865 CarbonylContact O-C 3.54Å; K862-L865 WeakPolarHBondContact O-CB 3.31Å; K862-L865 PolarHBondContact O-N 2.85Å; K862-D866 PolarHBondContact O-N 3.26Å
863S89.9Confident89.5Confident76 Ų76100.3 Ų100.353%0.53151%0.509SS..Hα-helixtrans-58.5-42.2178.3-1770000111.9E859 E860 D866 Q867E859-S863 WeakPolarHBondContact O-CB 3.26Å; E859-S863 PolarHBondContact O-N 2.75Å; E860-S863 PolarHBondContact O-N 2.69Å; S863-D866 PolarHBondContact O-N 3.13Å; S863-Q867 WeakPolarHBondContact O-CB 3.17Å; S863-Q867 PolarHBondContact O-N 3.32Å
864K90.9Very high89.5Confident103 Ų103101.9 Ų101.945%0.44851%0.512SS..Hα-helixtrans-63.3-42.2173.4-71.9174-174.1166.80112.3E860 M861 K862 Q867 Q868E860-K864 WeakPolarHBondContact O-CG 3.26Å; E860-K864 PolarHBondContact O-N 3.42Å; E860-K864 VanDerWaalsContact O-N 3.07Å; E860-K864 VanDerWaalsContact OE1-CE 3.31Å; E860-K864 WeakPolarHBondContact OE1-CE 3.48Å; E860-K864 IonicContact OE1-NZ 2.82Å; E860-K864 PolarHBondContact OE1-NZ 3.04Å; M861-K864 PolarHBondContact O-N 3.43Å; K862-K864 VanDerWaalsContact C-N 3.29Å; K862-K864 PolarHBondContact O-N 3.49Å; K864-Q867 PolarHBondContact O-N 3Å; K864-Q868 WeakPolarHBondContact O-CB 3.44Å; K864-Q868 PolarHBondContact O-N 3.39Å
865L89.1Confident89.5Confident95 Ų95101.1 Ų101.150%0.49751%0.512SS..Hα-helixtrans-65-42.1177.9-174.964.9000111.9M861 K862 Q868 N869M861-L865 WeakPolarHBondContact O-CB 3.46Å; M861-L865 PolarHBondContact O-N 3.48Å; K862-L865 CarbonylContact O-C 3.54Å; K862-L865 WeakPolarHBondContact O-CB 3.31Å; K862-L865 PolarHBondContact O-N 2.85Å; L865-Q868 PolarHBondContact O-N 2.96Å; L865-N869 WeakPolarHBondContact O-CB 3.35Å; L865-N869 PolarHBondContact O-N 3.47Å
866D89.2Confident89.3Confident100 Ų100101.1 Ų101.154%0.53551%0.51SS..Hα-helixtrans-66.2-40.2177-75-20.1000111.7K862 S863 Q868 N869 Q870K862-D866 PolarHBondContact O-N 3.26Å; S863-D866 PolarHBondContact O-N 3.13Å; D866-Q868 VanDerWaalsContact C-N 3.34Å; D866-Q868 PolarHBondContact O-N 2.81Å; D866-N869 PolarHBondContact O-N 2.94Å; D866-Q870 PolarHBondContact O-N 2.97Å
867Q89.7Confident89.2Confident140 Ų140101.1 Ų101.165%0.65451%0.506SS*.Hα-helixtrans-63-41.4174.9-167.7174.330.800111.6S863 K864 Q870 S871S863-Q867 WeakPolarHBondContact O-CB 3.17Å; S863-Q867 PolarHBondContact O-N 3.32Å; K864-Q867 PolarHBondContact O-N 3Å; Q867-Q870 PolarHBondContact O-N 3.46Å; Q867-S871 PolarHBondContact O-N 3.44Å; Q867-S871 VanDerWaalsContact O-N 3.12Å
868Q90Very high89.1Confident118 Ų118100.2 Ų100.255%0.55150%0.502SS*.Hα-helixtrans-66.8-41.8175-174171.8-2.700111.8K864 L865 D866 S871 N872K864-Q868 WeakPolarHBondContact O-CB 3.44Å; K864-Q868 PolarHBondContact O-N 3.39Å; L865-Q868 PolarHBondContact O-N 2.96Å; D866-Q868 VanDerWaalsContact C-N 3.34Å; D866-Q868 PolarHBondContact O-N 2.81Å; Q868-S871 WeakPolarHBondContact O-CB 3.37Å; Q868-S871 PolarHBondContact O-N 3.14Å; Q868-S871 VanDerWaalsContact O-N 3.16Å; Q868-N872 VanDerWaalsContact O-CG 3.3Å; Q868-N872 PolarHBondContact O-N 3.41Å
869N89.6Confident89.1Confident80 Ų8098.5 Ų98.543%0.42849%0.492SS..Hα-helixtrans-61.9-43175.3-84.5-16000112.1L865 D866 S871 N872 V873L865-N869 WeakPolarHBondContact O-CB 3.35Å; L865-N869 PolarHBondContact O-N 3.47Å; D866-N869 PolarHBondContact O-N 2.94Å; N869-S871 VanDerWaalsContact C-N 3.28Å; N869-S871 PolarHBondContact O-N 3.16Å; N869-N872 PolarHBondContact O-N 3.46Å; N869-V873 WeakPolarHBondContact O-CG2 3.33Å; N869-V873 PolarHBondContact O-N 3.01Å
870Q89.4Confident89Confident128 Ų12899.6 Ų99.660%0.59850%0.498SS*.Hα-helixtrans-60.4-37.8173.5-88.3-173.77.200112.5D866 Q867 K874D866-Q870 PolarHBondContact O-N 2.97Å; Q867-Q870 PolarHBondContact O-N 3.46Å; Q870-K874 WeakPolarHBondContact O-CG 3.14Å; Q870-K874 PolarHBondContact O-N 3.05Å
871S88.5Confident88.9Confident75 Ų75101 Ų10152%0.52450%0.499SS..Hα-helixtrans-66.3-43.1175.3-168.50000111.7Q867 Q868 N869 K874 L875Q867-S871 PolarHBondContact O-N 3.44Å; Q867-S871 VanDerWaalsContact O-N 3.12Å; Q868-S871 WeakPolarHBondContact O-CB 3.37Å; Q868-S871 PolarHBondContact O-N 3.14Å; Q868-S871 VanDerWaalsContact O-N 3.16Å; N869-S871 VanDerWaalsContact C-N 3.28Å; N869-S871 PolarHBondContact O-N 3.16Å; S871-K874 PolarHBondContact O-N 3.45Å; S871-L875 WeakPolarHBondContact O-CB 3.49Å; S871-L875 PolarHBondContact O-N 2.75Å
872N86.7Confident88.9Confident63 Ų63100.8 Ų100.834%0.33750%0.496SS..Hα-helixtrans-64.2-42.8178.4-69.8-17.1000111.7Q868 N869 L875 H876Q868-N872 VanDerWaalsContact O-CG 3.3Å; Q868-N872 PolarHBondContact O-N 3.41Å; N869-N872 PolarHBondContact O-N 3.46Å; N872-L875 PolarHBondContact O-N 3.33Å; N872-H876 PolarHBondContact O-CD2 2.98Å; N872-H876 PolarHBondContact O-N 3.15Å
873V90.1Very high88.7Confident81 Ų8198.1 Ų98.149%0.49149%0.491SS..Hα-helixtrans-59.9-47.9176.5171.20000110.9N869 L875 H876 E877N869-V873 WeakPolarHBondContact O-CG2 3.33Å; N869-V873 PolarHBondContact O-N 3.01Å; V873-L875 VanDerWaalsContact C-N 3.27Å; V873-L875 PolarHBondContact O-N 2.88Å; V873-H876 PolarHBondContact O-N 3.08Å; V873-E877 HydrophobicContact CG1-CG 4.49Å; V873-E877 WeakPolarHBondContact O-CG 3.34Å; V873-E877 PolarHBondContact O-N 2.93Å
874K90.1Very high88.5Confident137 Ų137101 Ų10160%0.59650%0.496SS*.Hα-helixtrans-60-37.9176.8-73175.3-178.2177.20112.7Q870 S871 E878Q870-K874 WeakPolarHBondContact O-CG 3.14Å; Q870-K874 PolarHBondContact O-N 3.05Å; S871-K874 PolarHBondContact O-N 3.45Å; K874-E878 PolarHBondContact O-N 2.81Å; K874-E878 VanDerWaalsContact O-N 3.15Å
875L89.5Confident88.4Confident95 Ų9599.9 Ų99.950%0.49750%0.501SS..Hα-helixtrans-67.9-43.8177.5-172.369.8000111.3S871 N872 V873 E878 I879S871-L875 WeakPolarHBondContact O-CB 3.49Å; S871-L875 PolarHBondContact O-N 2.75Å; N872-L875 PolarHBondContact O-N 3.33Å; V873-L875 VanDerWaalsContact C-N 3.27Å; V873-L875 PolarHBondContact O-N 2.88Å; L875-E878 PolarHBondContact O-N 2.76Å; L875-I879 HydrophobicContact CG-CD1 4.04Å; L875-I879 WeakPolarHBondContact O-CG1 3.23Å; L875-I879 PolarHBondContact O-N 2.86Å
876H85.8Confident88.4Confident90 Ų90102.1 Ų102.142%0.41750%0.502SS..Hα-helixtrans-61.5-44.8175.4-75.9-58.7000112.2N872 V873 E878 I879 E880N872-H876 PolarHBondContact O-CD2 2.98Å; N872-H876 PolarHBondContact O-N 3.15Å; V873-H876 PolarHBondContact O-N 3.08Å; H876-E878 PolarHBondContact O-N 3.4Å; H876-I879 PolarHBondContact O-N 2.95Å; H876-E880 PolarHBondContact O-N 2.86Å
877E89.3Confident88.2Confident103 Ų103105.8 Ų105.848%0.48151%0.509SS..Hα-helixtrans-61-31.6175.8-72.6175.6178.700112.8V873 R881V873-E877 HydrophobicContact CG1-CG 4.49Å; V873-E877 WeakPolarHBondContact O-CG 3.34Å; V873-E877 PolarHBondContact O-N 2.93Å; E877-R881 PolarHBondContact O-N 2.9Å; E877-R881 PolarHBondContact O-NE 2.77Å
878E90.1Very high88.2Confident72 Ų72105.9 Ų105.934%0.33651%0.507SS..Hα-helixtrans-75.6-43175.2-176.659.7-146.200111.8K874 L875 H876 R881 Q882K874-E878 PolarHBondContact O-N 2.81Å; K874-E878 VanDerWaalsContact O-N 3.15Å; L875-E878 PolarHBondContact O-N 2.76Å; H876-E878 PolarHBondContact O-N 3.4Å; E878-R881 PolarHBondContact O-N 2.83Å; E878-R881 IonicContact OE2-CZ 3.72Å; E878-R881 IonicContact OE2-NH1 2.68Å; E878-R881 PolarHBondContact OE2-NH1 2.74Å; E878-R881 IonicContact OE2-NH2 3.39Å; E878-R881 PolarHBondContact OE2-NH2 2.8Å; E878-Q882 WeakPolarHBondContact O-CG 3.08Å; E878-Q882 PolarHBondContact O-N 2.87Å; E878-Q882 PolarHBondContact OE1-NE2 2.94Å
879I87.3Confident88.1Confident67 Ų67104.4 Ų104.434%0.34451%0.506SS..Hα-helixtrans-62.6-44.6176.3-68.8167.6000110.6L875 H876 R881 Q882 C883L875-I879 HydrophobicContact CG-CD1 4.04Å; L875-I879 WeakPolarHBondContact O-CG1 3.23Å; L875-I879 PolarHBondContact O-N 2.86Å; H876-I879 PolarHBondContact O-N 2.95Å; I879-R881 PolarHBondContact O-N 3.19Å; I879-Q882 PolarHBondContact O-N 3.4Å; I879-C883 WeakPolarHBondContact O-CB 3.42Å; I879-C883 PolarHBondContact O-N 2.89Å; I879-C883 PolarHBondContact O-SG 3.33Å; I879-C883 VanDerWaalsContact O-SG 3.41Å
880E86.4Confident88Confident132 Ų132105 Ų10562%0.61751%0.506SS*.Hα-helixtrans-59.6-46.5176.5-78.1-176.2166.100111.6H876 Q882 C883 E884H876-E880 PolarHBondContact O-N 2.86Å; E880-Q882 VanDerWaalsContact C-N 3.29Å; E880-Q882 PolarHBondContact O-N 2.91Å; E880-C883 PolarHBondContact O-N 2.82Å; E880-E884 WeakPolarHBondContact O-CG 3.37Å; E880-E884 PolarHBondContact O-N 3.24Å
881R87.6Confident88Confident137 Ų137103 Ų10352%0.51750%0.499SS..Hα-helixtrans-58.4-39.9174.9-89.3-174.7-75.9127.93112.6E877 E878 I879 S885E877-R881 PolarHBondContact O-N 2.9Å; E877-R881 PolarHBondContact O-NE 2.77Å; E878-R881 PolarHBondContact O-N 2.83Å; E878-R881 IonicContact OE2-CZ 3.72Å; E878-R881 IonicContact OE2-NH1 2.68Å; E878-R881 PolarHBondContact OE2-NH1 2.74Å; E878-R881 IonicContact OE2-NH2 3.39Å; E878-R881 PolarHBondContact OE2-NH2 2.8Å; I879-R881 PolarHBondContact O-N 3.19Å; R881-S885 WeakPolarHBondContact O-CB 3.48Å; R881-S885 PolarHBondContact O-N 3.48Å; R881-S885 VanDerWaalsContact O-N 3.14Å
882Q87.1Confident88Confident114 Ų114103.2 Ų103.253%0.53350%0.495SS..Hα-helixtrans-69.9-41.4177.3-72.6-178.518.900112.3E878 I879 E880 S885 R886E878-Q882 WeakPolarHBondContact O-CG 3.08Å; E878-Q882 PolarHBondContact O-N 2.87Å; E878-Q882 PolarHBondContact OE1-NE2 2.94Å; I879-Q882 PolarHBondContact O-N 3.4Å; E880-Q882 VanDerWaalsContact C-N 3.29Å; E880-Q882 PolarHBondContact O-N 2.91Å; Q882-S885 PolarHBondContact O-N 3.03Å; Q882-R886 PolarHBondContact O-N 2.93Å
883C85.7Confident88.1Confident55 Ų55103.1 Ų103.137%0.37250%0.499SS..Hα-helixtrans-61.6-46.5175.1-75.90000111.7I879 E880 S885 R886 W887I879-C883 WeakPolarHBondContact O-CB 3.42Å; I879-C883 PolarHBondContact O-N 2.89Å; I879-C883 PolarHBondContact O-SG 3.33Å; I879-C883 VanDerWaalsContact O-SG 3.41Å; E880-C883 PolarHBondContact O-N 2.82Å; C883-S885 VanDerWaalsContact C-N 3.32Å; C883-S885 PolarHBondContact O-N 3.37Å; C883-R886 PolarHBondContact O-N 3.22Å; C883-W887 PolarHBondContact O-N 3.04Å
884E87.3Confident88Confident136 Ų136106 Ų10664%0.63650%0.502SS*.Hα-helixtrans-59.6-42.7176.6-75.7-173.8162.500111.9E880 K888E880-E884 WeakPolarHBondContact O-CG 3.37Å; E880-E884 PolarHBondContact O-N 3.24Å; E884-K888 VanDerWaalsContact O-CB 3.28Å; E884-K888 WeakPolarHBondContact O-CB 3.48Å; E884-K888 PolarHBondContact O-N 3.35Å
885S88.2Confident87.9Confident79 Ų79105.2 Ų105.255%0.55250%0.495SS*.Hα-helixtrans-64.6-40.5176.7-1720000112.7R881 Q882 C883 K888 T889R881-S885 WeakPolarHBondContact O-CB 3.48Å; R881-S885 PolarHBondContact O-N 3.48Å; R881-S885 VanDerWaalsContact O-N 3.14Å; Q882-S885 PolarHBondContact O-N 3.03Å; C883-S885 VanDerWaalsContact C-N 3.32Å; C883-S885 PolarHBondContact O-N 3.37Å; S885-K888 WeakPolarHBondContact O-CB 3.44Å; S885-T889 PolarHBondContact O-N 2.9Å; S885-T889 PolarHBondContact O-OG1 3.04Å
886R89.3Confident87.9Confident142 Ų142104.4 Ų104.454%0.53649%0.489SS..Hα-helixtrans-65.6-48175.3-101.3-171168.9-167.2-0.8112.5Q882 C883 K888 T889 E890Q882-R886 PolarHBondContact O-N 2.93Å; C883-R886 PolarHBondContact O-N 3.22Å; R886-K888 VanDerWaalsContact C-N 3.29Å; R886-K888 PolarHBondContact O-N 2.91Å; R886-T889 WeakPolarHBondContact CA-OG1 3.42Å; R886-T889 PolarHBondContact O-N 3.33Å; R886-T889 PolarHBondContact O-OG1 2.92Å; R886-E890 PolarHBondContact O-N 2.92Å
887W85.4Confident88Confident178 Ų178104.3 Ų104.367%0.67449%0.489SS*.Hα-helixtrans-64.9-35.7178.4-72.5-16.5000112.2C883 T889 L891C883-W887 PolarHBondContact O-N 3.04Å; W887-T889 VanDerWaalsContact C-N 3.33Å; W887-T889 PolarHBondContact O-N 2.87Å; W887-L891 WeakPolarHBondContact O-CB 3.29Å; W887-L891 PolarHBondContact O-N 3.05Å
888K89.8Confident88Confident142 Ų142104.1 Ų104.162%0.61750%0.495SS*.Hα-helixtrans-55.9-48.8172.3-17090.7178176.70111.3E884 S885 R886 D892E884-K888 VanDerWaalsContact O-CB 3.28Å; E884-K888 WeakPolarHBondContact O-CB 3.48Å; E884-K888 PolarHBondContact O-N 3.35Å; S885-K888 WeakPolarHBondContact O-CB 3.44Å; R886-K888 VanDerWaalsContact C-N 3.29Å; R886-K888 PolarHBondContact O-N 2.91Å; K888-D892 PolarHBondContact O-N 2.93Å; K888-D892 VanDerWaalsContact O-N 3.15Å
889T87.7Confident88Confident86 Ų86106.8 Ų106.853%0.52850%0.501SS..Hα-helixtrans-70.9-40.8-17834.10000113S885 R886 W887 D892 S893S885-T889 PolarHBondContact O-N 2.9Å; S885-T889 PolarHBondContact O-OG1 3.04Å; R886-T889 WeakPolarHBondContact CA-OG1 3.42Å; R886-T889 PolarHBondContact O-N 3.33Å; R886-T889 PolarHBondContact O-OG1 2.92Å; W887-T889 VanDerWaalsContact C-N 3.33Å; W887-T889 PolarHBondContact O-N 2.87Å; T889-D892 PolarHBondContact O-N 3.17Å; T889-S893 PolarHBondContact O-N 3.48Å
890E87.5Confident87.9Confident92 Ų92108.1 Ų108.143%0.4351%0.506SS..Hα-helixtrans-62.7-43.7174-73.9178.9-175.900111.9R886 D892 S893 Y894R886-E890 PolarHBondContact O-N 2.92Å; E890-D892 VanDerWaalsContact C-N 3.28Å; E890-D892 PolarHBondContact O-N 2.98Å; E890-S893 WeakPolarHBondContact O-CB 3.37Å; E890-S893 PolarHBondContact O-N 3.49Å; E890-S893 VanDerWaalsContact O-N 3.15Å; E890-Y894 HydrophobicContact CB-CE2 4.34Å; E890-Y894 WeakPolarHBondContact O-CD2 3.26Å; E890-Y894 PolarHBondContact O-N 3.37Å
891L87.7Confident87.9Confident86 Ų86107.2 Ų107.245%0.4550%0.502SS..Hα-helixtrans-61.3-38.4178.3-171.967.3000111.7W887 R895W887-L891 WeakPolarHBondContact O-CB 3.29Å; W887-L891 PolarHBondContact O-N 3.05Å; L891-R895 WeakPolarHBondContact O-CG 3.45Å; L891-R895 PolarHBondContact O-N 2.91Å
892D89.3Confident88Confident80 Ų80104.1 Ų104.143%0.42850%0.501SS..Hα-helixtrans-69.5-35.9175.8-70.8-22.4000112.2K888 T889 E890 R895 E896K888-D892 PolarHBondContact O-N 2.93Å; K888-D892 VanDerWaalsContact O-N 3.15Å; T889-D892 PolarHBondContact O-N 3.17Å; E890-D892 VanDerWaalsContact C-N 3.28Å; E890-D892 PolarHBondContact O-N 2.98Å; D892-R895 PolarHBondContact O-N 3.35Å; D892-R895 IonicContact OD1-NE 3.59Å; D892-E896 PolarHBondContact O-N 3.37Å; D892-E896 VanDerWaalsContact O-N 3.1Å
893S88.6Confident88.1Confident61 Ų61106.9 Ų106.943%0.42751%0.506SS..Hα-helixtrans-63.6-47.2172-177.50000112.2T889 E890 R895 E896 Q897T889-S893 PolarHBondContact O-N 3.48Å; E890-S893 WeakPolarHBondContact O-CB 3.37Å; E890-S893 PolarHBondContact O-N 3.49Å; E890-S893 VanDerWaalsContact O-N 3.15Å; S893-R895 VanDerWaalsContact C-N 3.34Å; S893-R895 PolarHBondContact O-N 2.99Å; S893-E896 PolarHBondContact O-N 2.95Å; S893-E896 VanDerWaalsContact O-N 3.11Å; S893-Q897 WeakPolarHBondContact O-CG 3.3Å; S893-Q897 PolarHBondContact O-N 3.01Å
894Y87.6Confident88.1Confident141 Ų141107.8 Ų107.855%0.55351%0.511SS*.Hα-helixtrans-63-39.6176.7-73-57.6000112.3E890 E896 Q897 V898E890-Y894 HydrophobicContact CB-CE2 4.34Å; E890-Y894 WeakPolarHBondContact O-CD2 3.26Å; E890-Y894 PolarHBondContact O-N 3.37Å; Y894-E896 VanDerWaalsContact C-N 3.26Å; Y894-E896 PolarHBondContact O-N 3.25Å; Y894-Q897 PolarHBondContact O-N 2.7Å; Y894-V898 VanDerWaalsContact O-CG2 3.31Å; Y894-V898 WeakPolarHBondContact O-CG2 3.44Å; Y894-V898 PolarHBondContact O-N 2.82Å
895R89.8Confident88Confident122 Ų122105.8 Ų105.846%0.4650%0.503SS..Hα-helixtrans-58.6-40173.4-78.2-173.4-127.5-87.910.6111.8L891 D892 S893 R899L891-R895 WeakPolarHBondContact O-CG 3.45Å; L891-R895 PolarHBondContact O-N 2.91Å; D892-R895 PolarHBondContact O-N 3.35Å; D892-R895 IonicContact OD1-NE 3.59Å; S893-R895 VanDerWaalsContact C-N 3.34Å; S893-R895 PolarHBondContact O-N 2.99Å; R895-R899 PolarHBondContact O-N 2.76Å; R895-R899 VanDerWaalsContact O-N 3.15Å
896E88.3Confident87.9Confident77 Ų77105 Ų10536%0.3650%0.497SS..Hα-helixtrans-71.1-42.2178.3-170.353.4-147.700112.1D892 S893 Y894 V898 R899 Q900D892-E896 PolarHBondContact O-N 3.37Å; D892-E896 VanDerWaalsContact O-N 3.1Å; S893-E896 PolarHBondContact O-N 2.95Å; S893-E896 VanDerWaalsContact O-N 3.11Å; Y894-E896 VanDerWaalsContact C-N 3.26Å; Y894-E896 PolarHBondContact O-N 3.25Å; E896-V898 VanDerWaalsContact C-N 3.29Å; E896-V898 PolarHBondContact O-N 3.14Å; E896-R899 WeakPolarHBondContact O-CB 3.49Å; E896-R899 PolarHBondContact O-N 2.81Å; E896-R899 IonicContact OE2-CZ 3.76Å; E896-R899 IonicContact OE2-NH1 2.72Å; E896-R899 PolarHBondContact OE2-NH1 2.86Å; E896-Q900 WeakPolarHBondContact O-CG 3.39Å; E896-Q900 PolarHBondContact O-N 3.13Å; E896-Q900 PolarHBondContact OE1-NE2 3.4Å
897Q87.2Confident88Confident89 Ų89103 Ų10342%0.41650%0.5SS..Hα-helixtrans-57.3-42.8173.6-70.5178.31700112S893 Y894 R899 Q900 H901S893-Q897 WeakPolarHBondContact O-CG 3.3Å; S893-Q897 PolarHBondContact O-N 3.01Å; Y894-Q897 PolarHBondContact O-N 2.7Å; Q897-R899 VanDerWaalsContact C-N 3.33Å; Q897-R899 PolarHBondContact O-N 2.83Å; Q897-Q900 PolarHBondContact O-N 2.75Å; Q897-H901 PolarHBondContact O-N 3.44Å; Q897-H901 PolarHBondContact O-ND1 3.44Å
898V89.6Confident87.8Confident99 Ų9999.8 Ų99.860%0.649%0.494SS*.Hα-helixtrans-61.9-40.41761720000111.3Y894 E896 S902Y894-V898 VanDerWaalsContact O-CG2 3.31Å; Y894-V898 WeakPolarHBondContact O-CG2 3.44Å; Y894-V898 PolarHBondContact O-N 2.82Å; E896-V898 VanDerWaalsContact C-N 3.29Å; E896-V898 PolarHBondContact O-N 3.14Å; V898-S902 WeakPolarHBondContact O-CB 3.43Å; V898-S902 PolarHBondContact O-N 3.15Å
899R90.2Very high87.7Confident127 Ų12798.6 Ų98.648%0.47949%0.491SS..Hα-helixtrans-62.3-42173.7-73.2-173.5-159.799.85.1112.2R895 E896 Q897 R903R895-R899 PolarHBondContact O-N 2.76Å; R895-R899 VanDerWaalsContact O-N 3.15Å; E896-R899 WeakPolarHBondContact O-CB 3.49Å; E896-R899 PolarHBondContact O-N 2.81Å; E896-R899 IonicContact OE2-CZ 3.76Å; E896-R899 IonicContact OE2-NH1 2.72Å; E896-R899 PolarHBondContact OE2-NH1 2.86Å; Q897-R899 VanDerWaalsContact C-N 3.33Å; Q897-R899 PolarHBondContact O-N 2.83Å; R899-R903 PolarHBondContact O-N 3.49Å; R899-R903 VanDerWaalsContact O-N 3.16Å
900Q85.2Confident87.7Confident96 Ų96100.5 Ų100.545%0.44949%0.494SS..Hα-helixtrans-66.4-47.7179.1-65.2-61.2-25.500111.4E896 Q897 S902 R903 T904E896-Q900 WeakPolarHBondContact O-CG 3.39Å; E896-Q900 PolarHBondContact O-N 3.13Å; E896-Q900 PolarHBondContact OE1-NE2 3.4Å; Q897-Q900 PolarHBondContact O-N 2.75Å; Q900-S902 VanDerWaalsContact C-N 3.31Å; Q900-S902 PolarHBondContact O-N 2.98Å; Q900-R903 PolarHBondContact O-N 3.41Å; Q900-R903 VanDerWaalsContact O-N 3.14Å; Q900-T904 PolarHBondContact O-N 3.45Å; Q900-T904 PolarHBondContact O-OG1 3.01Å; Q900-T904 VanDerWaalsContact O-OG1 3.12Å
901H86.4Confident87.8Confident113 Ų113104.6 Ų104.652%0.52351%0.505SS..Hα-helixtrans-58.2-43.4175.8-70.2129.8000112.2Q897 R903 T904 I905Q897-H901 PolarHBondContact O-N 3.44Å; Q897-H901 PolarHBondContact O-ND1 3.44Å; H901-R903 VanDerWaalsContact C-N 3.31Å; H901-R903 PolarHBondContact O-N 2.84Å; H901-T904 PolarHBondContact O-N 3Å; H901-I905 VanDerWaalsContact O-CG1 3.27Å; H901-I905 WeakPolarHBondContact O-CG1 3.47Å; H901-I905 PolarHBondContact O-N 3.31Å
902S90.6Very high87.7Confident71 Ų71105.6 Ų105.650%0.49751%0.51SS..Hα-helixtrans-57.5-43.3176.3179.60000112V898 Q900 C906V898-S902 WeakPolarHBondContact O-CB 3.43Å; V898-S902 PolarHBondContact O-N 3.15Å; Q900-S902 VanDerWaalsContact C-N 3.31Å; Q900-S902 PolarHBondContact O-N 2.98Å; S902-C906 PolarHBondContact O-N 3.18Å; S902-C906 PolarHBondContact O-SG 3.32Å
903R87.8Confident87.7Confident172 Ų172106.7 Ų106.765%0.64952%0.52SS*.Hα-helixtrans-64.8-44.1174.7-71.2178.8-167.8-122.13.6112.3R899 Q900 H901 C906 V907R899-R903 PolarHBondContact O-N 3.49Å; R899-R903 VanDerWaalsContact O-N 3.16Å; Q900-R903 PolarHBondContact O-N 3.41Å; Q900-R903 VanDerWaalsContact O-N 3.14Å; H901-R903 VanDerWaalsContact C-N 3.31Å; H901-R903 PolarHBondContact O-N 2.84Å; R903-C906 PolarHBondContact O-N 2.92Å; R903-V907 WeakPolarHBondContact O-CG2 3.44Å; R903-V907 PolarHBondContact O-N 3.4Å
904T86.7Confident87.7Confident75 Ų75110.3 Ų110.346%0.4653%0.528SS..Hα-helixtrans-63.8-42.1-179.3-57.80000112.2Q900 H901 C906 V907 M908Q900-T904 PolarHBondContact O-N 3.45Å; Q900-T904 PolarHBondContact O-OG1 3.01Å; Q900-T904 VanDerWaalsContact O-OG1 3.12Å; H901-T904 PolarHBondContact O-N 3Å; T904-C906 PolarHBondContact O-N 2.85Å; T904-V907 PolarHBondContact O-N 2.97Å; T904-M908 HydrophobicContact CG2-CG 4.47Å; T904-M908 HydrophobicContact CG2-SD 4.18Å; T904-M908 WeakPolarHBondContact O-CG 3.49Å; T904-M908 PolarHBondContact O-N 3.48Å
905I84.7Confident87.7Confident93 Ų93107.8 Ų107.848%0.47752%0.524SS..Hα-helixtrans-59.2-48.9177.3-69.1165.8000110.1H901 V907 M908 E909H901-I905 VanDerWaalsContact O-CG1 3.27Å; H901-I905 WeakPolarHBondContact O-CG1 3.47Å; H901-I905 PolarHBondContact O-N 3.31Å; I905-V907 VanDerWaalsContact C-N 3.32Å; I905-V907 PolarHBondContact O-N 3.42Å; I905-M908 PolarHBondContact O-N 2.91Å; I905-M908 VanDerWaalsContact O-N 3.16Å; I905-E909 HydrophobicContact CG2-CG 4.29Å; I905-E909 WeakPolarHBondContact O-CG 3.26Å; I905-E909 PolarHBondContact O-N 2.68Å
906C87.3Confident87.5Confident64 Ų64106.6 Ų106.643%0.43253%0.53SS..Hα-helixtrans-57.7-43.6178.9-640000112.2S902 R903 T904 E909 E910S902-C906 PolarHBondContact O-N 3.18Å; S902-C906 PolarHBondContact O-SG 3.32Å; R903-C906 PolarHBondContact O-N 2.92Å; T904-C906 PolarHBondContact O-N 2.85Å; C906-E909 PolarHBondContact O-N 2.88Å; C906-E910 PolarHBondContact O-N 3.46Å; C906-E910 VanDerWaalsContact O-N 3.13Å
907V90.6Very high87.6Confident98 Ų98109.9 Ų109.959%0.59454%0.543SS*.Hα-helixtrans-66.5-40.1178.8172.70000111.8R903 T904 I905 R911R903-V907 WeakPolarHBondContact O-CG2 3.44Å; R903-V907 PolarHBondContact O-N 3.4Å; T904-V907 PolarHBondContact O-N 2.97Å; I905-V907 VanDerWaalsContact C-N 3.32Å; I905-V907 PolarHBondContact O-N 3.42Å; V907-R911 PolarHBondContact O-N 3.46Å; V907-R911 VanDerWaalsContact O-N 3.14Å
908M81.2Confident87.6Confident112 Ų112111.3 Ų111.355%0.55255%0.55SS*.Hα-helixtrans-67.2-40.2177.4-77.3-175.855.600112.2T904 I905 R911 L912T904-M908 HydrophobicContact CG2-CG 4.47Å; T904-M908 HydrophobicContact CG2-SD 4.18Å; T904-M908 WeakPolarHBondContact O-CG 3.49Å; T904-M908 PolarHBondContact O-N 3.48Å; I905-M908 PolarHBondContact O-N 2.91Å; I905-M908 VanDerWaalsContact O-N 3.16Å; M908-R911 PolarHBondContact O-N 2.86Å; M908-L912 PolarHBondContact O-N 3.38Å
909E87.1Confident87.5Confident116 Ų116112.8 Ų112.854%0.54255%0.553SS.*Hα-helixtrans-59.6-46.2175.4-74176.2163.700111.2I905 C906 R911 L912 V913I905-E909 HydrophobicContact CG2-CG 4.29Å; I905-E909 WeakPolarHBondContact O-CG 3.26Å; I905-E909 PolarHBondContact O-N 2.68Å; C906-E909 PolarHBondContact O-N 2.88Å; E909-R911 VanDerWaalsContact C-N 3.3Å; E909-R911 PolarHBondContact O-N 2.92Å; E909-L912 PolarHBondContact O-N 3.33Å; E909-V913 WeakPolarHBondContact O-CG2 3.33Å; E909-V913 PolarHBondContact O-N 3.26Å
910E88.5Confident87.4Confident126 Ų126114.4 Ų114.459%0.58956%0.564SS**Hα-helixtrans-59.4-39.1174.6-75.8-173-178.800112.9C906 K914C906-E910 PolarHBondContact O-N 3.46Å; C906-E910 VanDerWaalsContact O-N 3.13Å; E910-K914 PolarHBondContact O-N 3.41Å; E910-K914 VanDerWaalsContact O-N 3.16Å
911R89.2Confident87.7Confident179 Ų179114.3 Ų114.368%0.67557%0.567SS**Hα-helixtrans-68.8-40.9179.2-170.5176.3176.2178.5-1.5111.9V907 M908 E909 V913 K914 L915V907-R911 PolarHBondContact O-N 3.46Å; V907-R911 VanDerWaalsContact O-N 3.14Å; M908-R911 PolarHBondContact O-N 2.86Å; E909-R911 VanDerWaalsContact C-N 3.3Å; E909-R911 PolarHBondContact O-N 2.92Å; R911-V913 VanDerWaalsContact C-N 3.34Å; R911-K914 PolarHBondContact O-N 2.92Å; R911-L915 HydrophobicContact CG-CD1 4.46Å; R911-L915 PolarHBondContact O-N 3.38Å
912L86.2Confident87.5Confident106 Ų106112.4 Ų112.456%0.55557%0.566SS**Hα-helixtrans-63.4-40.2176.3-77.3172.5000111.8M908 E909 K914 L915 T916M908-L912 PolarHBondContact O-N 3.38Å; E909-L912 PolarHBondContact O-N 3.33Å; L912-K914 VanDerWaalsContact C-N 3.35Å; L912-K914 PolarHBondContact O-N 3.35Å; L912-L915 PolarHBondContact O-N 2.87Å; L912-T916 WeakPolarHBondContact O-CB 3.43Å; L912-T916 PolarHBondContact O-N 3.24Å; L912-T916 PolarHBondContact O-OG1 2.89Å
913V88.7Confident87.3Confident104 Ų104116.1 Ų116.163%0.6357%0.573SS**Hα-helixtrans-61.1-43.7174.8172.40000111.1E909 R911 T916 K917E909-V913 WeakPolarHBondContact O-CG2 3.33Å; E909-V913 PolarHBondContact O-N 3.26Å; R911-V913 VanDerWaalsContact C-N 3.34Å; V913-T916 PolarHBondContact O-N 2.99Å; V913-K917 PolarHBondContact O-N 3.37Å; V913-K917 VanDerWaalsContact O-N 3.1Å
914K88.8Confident87.1Confident137 Ų137109.3 Ų109.360%0.59656%0.556SS**Hα-helixtrans-62.4-46.3176.6-76.1174.4-178.61670112.7E910 R911 L912 T916 K917 Q918E910-K914 PolarHBondContact O-N 3.41Å; E910-K914 VanDerWaalsContact O-N 3.16Å; R911-K914 PolarHBondContact O-N 2.92Å; L912-K914 VanDerWaalsContact C-N 3.35Å; L912-K914 PolarHBondContact O-N 3.35Å; K914-T916 VanDerWaalsContact C-N 3.34Å; K914-T916 PolarHBondContact O-N 2.94Å; K914-K917 WeakPolarHBondContact O-CB 3.31Å; K914-K917 PolarHBondContact O-N 2.83Å; K914-Q918 PolarHBondContact O-N 3.06Å
915L87Confident87.1Confident88 Ų88112 Ų11246%0.46156%0.564SS.*Hα-helixtrans-63.1-41.4178.7-77.8169.4000112R911 L912 K917 Q918 L919R911-L915 HydrophobicContact CG-CD1 4.46Å; R911-L915 PolarHBondContact O-N 3.38Å; L912-L915 PolarHBondContact O-N 2.87Å; L915-K917 VanDerWaalsContact C-N 3.28Å; L915-K917 PolarHBondContact O-N 2.86Å; L915-Q918 PolarHBondContact O-N 2.86Å; L915-L919 PolarHBondContact O-N 3.02Å
916T86.1Confident87Confident97 Ų97112 Ų11260%0.59557%0.568SS**Hα-helixtrans-62.3-38.6177.7-54.60000111.4L912 V913 K914 K920L912-T916 WeakPolarHBondContact O-CB 3.43Å; L912-T916 PolarHBondContact O-N 3.24Å; L912-T916 PolarHBondContact O-OG1 2.89Å; V913-T916 PolarHBondContact O-N 2.99Å; K914-T916 VanDerWaalsContact C-N 3.34Å; K914-T916 PolarHBondContact O-N 2.94Å; T916-K920 PolarHBondContact O-N 3.28Å
917K90.1Very high86.8Confident145 Ų145112.1 Ų112.163%0.6357%0.566SS**Hα-helixtrans-64.1-49.1174.5-174.5176.5178.4-179.70111.9V913 K914 L915 L919 K920 D921V913-K917 PolarHBondContact O-N 3.37Å; V913-K917 VanDerWaalsContact O-N 3.1Å; K914-K917 WeakPolarHBondContact O-CB 3.31Å; K914-K917 PolarHBondContact O-N 2.83Å; L915-K917 VanDerWaalsContact C-N 3.28Å; L915-K917 PolarHBondContact O-N 2.86Å; K917-L919 VanDerWaalsContact C-N 3.31Å; K917-L919 PolarHBondContact O-N 2.97Å; K917-K920 WeakPolarHBondContact O-CB 3.33Å; K917-K920 PolarHBondContact O-N 3.33Å; K917-K920 VanDerWaalsContact O-N 3.15Å; K917-D921 PolarHBondContact O-N 2.88Å; K917-D921 VanDerWaalsContact O-N 3.1Å
918Q87.9Confident86.5Confident120 Ų120114.4 Ų114.456%0.56157%0.569SS**Hα-helixtrans-57.9-42.9178-73.6179.5-11.800112.2K914 L915 K920 D921 S922K914-Q918 PolarHBondContact O-N 3.06Å; L915-Q918 PolarHBondContact O-N 2.86Å; Q918-K920 VanDerWaalsContact C-N 3.3Å; Q918-K920 PolarHBondContact O-N 3.02Å; Q918-D921 PolarHBondContact O-N 3.04Å; Q918-S922 PolarHBondContact O-N 3.42Å; Q918-S922 PolarHBondContact O-OG 3.44Å
919L86.4Confident86.6Confident129 Ų129114.9 Ų114.968%0.67557%0.573SS**Hα-helixtrans-64.2-35.4179.5-162.5122.9000112.4L915 K917 K923L915-L919 PolarHBondContact O-N 3.02Å; K917-L919 VanDerWaalsContact C-N 3.31Å; K917-L919 PolarHBondContact O-N 2.97Å; L919-K923 WeakPolarHBondContact O-CB 3.48Å; L919-K923 PolarHBondContact O-N 2.91Å; L919-K923 VanDerWaalsContact O-N 3.09Å
920K89.3Confident86.6Confident162 Ų162116.8 Ų116.870%0.70458%0.579SS**Hα-helixtrans-66.5-42.2175.1-173.1178.1179.5179.80111.8T916 K917 Q918 K923 G924T916-K920 PolarHBondContact O-N 3.28Å; K917-K920 WeakPolarHBondContact O-CB 3.33Å; K917-K920 PolarHBondContact O-N 3.33Å; K917-K920 VanDerWaalsContact O-N 3.15Å; Q918-K920 VanDerWaalsContact C-N 3.3Å; Q918-K920 PolarHBondContact O-N 3.02Å; K920-K923 PolarHBondContact O-N 3.49Å; K920-G924 PolarHBondContact O-N 3.45Å
921D90Very high86.3Confident94 Ų94118.3 Ų118.350%0.50358%0.579SS.*Hα-helixtrans-66.6-47.2179.7-65.3-23000111.2K917 Q918 K923 G924 E925K917-D921 PolarHBondContact O-N 2.88Å; K917-D921 VanDerWaalsContact O-N 3.1Å; Q918-D921 PolarHBondContact O-N 3.04Å; D921-K923 VanDerWaalsContact C-N 3.34Å; D921-K923 PolarHBondContact O-N 3.17Å; D921-G924 WeakPolarHBondContact O-CA 3.41Å; D921-G924 PolarHBondContact O-N 2.9Å; D921-E925 PolarHBondContact O-N 3.22Å
922S83.1Confident86.1Confident73 Ų73114.8 Ų114.851%0.5157%0.574SS.*Hα-helixtrans-61.2-40.2176.3-56.80000112.4Q918 G924 E925 V926Q918-S922 PolarHBondContact O-N 3.42Å; Q918-S922 PolarHBondContact O-OG 3.44Å; S922-G924 VanDerWaalsContact C-N 3.28Å; S922-G924 PolarHBondContact O-N 3.39Å; S922-E925 PolarHBondContact O-N 3Å; S922-V926 WeakPolarHBondContact O-CG2 3.47Å; S922-V926 PolarHBondContact O-N 3.38Å; S922-V926 VanDerWaalsContact O-N 3.13Å
923K85.7Confident85.9Confident149 Ų149114.2 Ų114.265%0.64857%0.572SS**Hα-helixtrans-62.4-38.2173.7-173.4175-178175.80111.4L919 K920 D921 V926 T927L919-K923 WeakPolarHBondContact O-CB 3.48Å; L919-K923 PolarHBondContact O-N 2.91Å; L919-K923 VanDerWaalsContact O-N 3.09Å; K920-K923 PolarHBondContact O-N 3.49Å; D921-K923 VanDerWaalsContact C-N 3.34Å; D921-K923 PolarHBondContact O-N 3.17Å; K923-V926 PolarHBondContact O-N 3.46Å; K923-T927 WeakPolarHBondContact O-CG2 3.4Å; K923-T927 PolarHBondContact O-N 2.93Å
924G85.3Confident85.6Confident28 Ų28112.2 Ų112.229%0.28956%0.56SS.*Hα-helixtrans-59.1-47.4173.700000112.6K920 D921 S922 T927 K928K920-G924 PolarHBondContact O-N 3.45Å; D921-G924 WeakPolarHBondContact O-CA 3.41Å; D921-G924 PolarHBondContact O-N 2.9Å; S922-G924 VanDerWaalsContact C-N 3.28Å; S922-G924 PolarHBondContact O-N 3.39Å; G924-T927 PolarHBondContact O-N 2.95Å; G924-T927 PolarHBondContact O-OG1 3.15Å; G924-K928 PolarHBondContact O-N 3.29Å
925E86.5Confident85.4Confident132 Ų132110.4 Ų110.462%0.61756%0.556SS**Hα-helixtrans-60.7-45.2176.7-78.7-156.9146.600113.1D921 S922 T927 K928 L929D921-E925 PolarHBondContact O-N 3.22Å; S922-E925 PolarHBondContact O-N 3Å; E925-T927 VanDerWaalsContact C-N 3.25Å; E925-T927 PolarHBondContact O-N 2.86Å; E925-K928 WeakPolarHBondContact O-CB 3.27Å; E925-K928 PolarHBondContact O-N 3.43Å; E925-L929 PolarHBondContact O-N 3.06Å
926V82.4Confident85.1Confident94 Ų94111.2 Ų111.257%0.5756%0.561SS**Hα-helixtrans-58.4-40.1178.1172.70000111.2S922 K923 K928 L929 K930S922-V926 WeakPolarHBondContact O-CG2 3.47Å; S922-V926 PolarHBondContact O-N 3.38Å; S922-V926 VanDerWaalsContact O-N 3.13Å; K923-V926 PolarHBondContact O-N 3.46Å; V926-K928 VanDerWaalsContact C-N 3.33Å; V926-K928 PolarHBondContact O-N 2.86Å; V926-L929 PolarHBondContact O-N 2.96Å; V926-K930 WeakPolarHBondContact O-CB 3.45Å; V926-K930 PolarHBondContact O-N 3.39Å
927T81.8Confident84.8Confident65 Ų65112.3 Ų112.340%0.39956%0.559SS.*Hα-helixtrans-68.2-29.9177.163.90000113.7K923 G924 E925 R931K923-T927 WeakPolarHBondContact O-CG2 3.4Å; K923-T927 PolarHBondContact O-N 2.93Å; G924-T927 PolarHBondContact O-N 2.95Å; G924-T927 PolarHBondContact O-OG1 3.15Å; E925-T927 VanDerWaalsContact C-N 3.25Å; E925-T927 PolarHBondContact O-N 2.86Å; T927-R931 PolarHBondContact O-N 3.35Å; T927-R931 PolarHBondContact O-NH1 3.01Å
928K86.1Confident84.4Confident147 Ų147110 Ų11064%0.63955%0.554SS**Hα-helixtrans-70.2-49.4174-72.1179.8179.8177.10111G924 E925 V926 K930 R931 N932G924-K928 PolarHBondContact O-N 3.29Å; E925-K928 WeakPolarHBondContact O-CB 3.27Å; E925-K928 PolarHBondContact O-N 3.43Å; V926-K928 VanDerWaalsContact C-N 3.33Å; V926-K928 PolarHBondContact O-N 2.86Å; K928-K930 PolarHBondContact O-N 2.91Å; K928-R931 PolarHBondContact O-N 3.28Å; K928-R931 VanDerWaalsContact O-N 3.14Å; K928-N932 PolarHBondContact O-N 2.97Å
929L83.3Confident84Confident122 Ų122109.9 Ų109.964%0.63955%0.553SS**Hα-helixtrans-59-37.6178-71173.1000112E925 V926 R931 N932 N933E925-L929 PolarHBondContact O-N 3.06Å; V926-L929 PolarHBondContact O-N 2.96Å; L929-R931 PolarHBondContact O-N 2.96Å; L929-N932 PolarHBondContact O-N 3.4Å; L929-N933 PolarHBondContact O-N 3.22Å; L929-N933 VanDerWaalsContact O-N 3.15Å
930K86.4Confident83.5Confident155 Ų155108.3 Ų108.367%0.67455%0.545SS*.Hα-helixtrans-64.1-37.5177.5-162.2171.5-174.4177.20113.1V926 K928 T934V926-K930 WeakPolarHBondContact O-CB 3.45Å; V926-K930 PolarHBondContact O-N 3.39Å; K928-K930 PolarHBondContact O-N 2.91Å; K930-T934 PolarHBondContact O-N 2.81Å; K930-T934 PolarHBondContact O-OG1 2.6Å
931R81.7Confident83.1Confident158 Ų158107.6 Ų107.660%0.59654%0.542SS*.Hα-helixtrans-67.9-45.6175.4-74.6-172.8-171.393-5.5112.3T927 K928 L929 N933 T934 D935T927-R931 PolarHBondContact O-N 3.35Å; T927-R931 PolarHBondContact O-NH1 3.01Å; K928-R931 PolarHBondContact O-N 3.28Å; K928-R931 VanDerWaalsContact O-N 3.14Å; L929-R931 PolarHBondContact O-N 2.96Å; R931-N933 VanDerWaalsContact C-N 3.25Å; R931-N933 PolarHBondContact O-N 2.73Å; R931-T934 WeakPolarHBondContact CA-OG1 3.33Å; R931-T934 PolarHBondContact O-N 3.16Å; R931-T934 VanDerWaalsContact O-N 3.15Å; R931-T934 PolarHBondContact O-OG1 3.49Å; R931-D935 PolarHBondContact O-N 2.85Å; R931-D935 VanDerWaalsContact O-N 3.13Å
932N85.5Confident82.6Confident106 Ų106108.8 Ų108.857%0.56755%0.545SS*.Hα-helixtrans-58.6-39.3177.3-8312.7000112.2K928 L929 D935 L936K928-N932 PolarHBondContact O-N 2.97Å; L929-N932 PolarHBondContact O-N 3.4Å; N932-D935 PolarHBondContact O-N 2.89Å; N932-L936 PolarHBondContact O-N 3.41Å; N932-L936 VanDerWaalsContact O-N 3.11Å
933N81.6Confident82.4Confident94 Ų94109.7 Ų109.750%0.50354%0.544SS..Hα-helixtrans-68-35.4179.7-162.230.1000112.6L929 R931 D935 Q937L929-N933 PolarHBondContact O-N 3.22Å; L929-N933 VanDerWaalsContact O-N 3.15Å; R931-N933 VanDerWaalsContact C-N 3.25Å; R931-N933 PolarHBondContact O-N 2.73Å; N933-D935 VanDerWaalsContact C-N 3.34Å; N933-Q937 WeakPolarHBondContact O-CG 3.4Å; N933-Q937 PolarHBondContact O-N 3.13Å; N933-Q937 VanDerWaalsContact O-N 3.08Å
934T83.3Confident81.9Confident62 Ų62108.2 Ų108.238%0.3854%0.539SS..Hα-helixtrans-67.1-36.4174.748.30000112.2K930 R931 Q937 N938K930-T934 PolarHBondContact O-N 2.81Å; K930-T934 PolarHBondContact O-OG1 2.6Å; R931-T934 WeakPolarHBondContact CA-OG1 3.33Å; R931-T934 PolarHBondContact O-N 3.16Å; R931-T934 VanDerWaalsContact O-N 3.15Å; R931-T934 PolarHBondContact O-OG1 3.49Å; T934-Q937 PolarHBondContact O-N 2.99Å; T934-N938 VanDerWaalsContact O-CG 3.28Å; T934-N938 PolarHBondContact O-N 3.28Å; T934-N938 VanDerWaalsContact O-N 3.13Å; T934-N938 PolarHBondContact O-ND2 3.37Å
935D84Confident81.4Confident98 Ų98110.6 Ų110.652%0.52455%0.548SS..Hα-helixtrans-67.5-44.6178.3-64.1-25.6000111.4R931 N932 N933 Q937 N938 E939R931-D935 PolarHBondContact O-N 2.85Å; R931-D935 VanDerWaalsContact O-N 3.13Å; N932-D935 PolarHBondContact O-N 2.89Å; N933-D935 VanDerWaalsContact C-N 3.34Å; D935-Q937 VanDerWaalsContact C-N 3.34Å; D935-Q937 PolarHBondContact O-N 2.79Å; D935-N938 PolarHBondContact O-N 3.2Å; D935-N938 VanDerWaalsContact O-N 3.16Å; D935-E939 PolarHBondContact O-N 2.92Å
936L80.4Confident81Confident106 Ų106112 Ų11256%0.55555%0.548SS*.Hα-helixtrans-61.8-38.8174.8-73.8172.9000112.8N932 N938 E939 N940N932-L936 PolarHBondContact O-N 3.41Å; N932-L936 VanDerWaalsContact O-N 3.11Å; L936-N938 VanDerWaalsContact C-N 3.31Å; L936-N938 PolarHBondContact O-N 2.97Å; L936-E939 PolarHBondContact O-N 3.45Å; L936-N940 WeakPolarHBondContact O-CB 3.38Å; L936-N940 PolarHBondContact O-N 2.95Å
937Q80.1Confident80.8Confident119 Ų119112.4 Ų112.456%0.55655%0.546SS*.Hα-helixtrans-63.5-37.7175.2-81.2-175.5-23.500112.4N933 T934 D935 K941N933-Q937 WeakPolarHBondContact O-CG 3.4Å; N933-Q937 PolarHBondContact O-N 3.13Å; N933-Q937 VanDerWaalsContact O-N 3.08Å; T934-Q937 PolarHBondContact O-N 2.99Å; D935-Q937 VanDerWaalsContact C-N 3.34Å; D935-Q937 PolarHBondContact O-N 2.79Å; Q937-K941 PolarHBondContact O-N 2.92Å; Q937-K941 VanDerWaalsContact O-N 3.11Å
938N80.9Confident80.5Confident97 Ų97113.2 Ų113.252%0.51955%0.551SS.*Hα-helixtrans-69-40.5178.1-71.2-26.4000111.9T934 D935 L936 K941 Q942T934-N938 VanDerWaalsContact O-CG 3.28Å; T934-N938 PolarHBondContact O-N 3.28Å; T934-N938 VanDerWaalsContact O-N 3.13Å; T934-N938 PolarHBondContact O-ND2 3.37Å; D935-N938 PolarHBondContact O-N 3.2Å; D935-N938 VanDerWaalsContact O-N 3.16Å; L936-N938 VanDerWaalsContact C-N 3.31Å; L936-N938 PolarHBondContact O-N 2.97Å; N938-K941 PolarHBondContact O-N 3.42Å; N938-Q942 PolarHBondContact O-N 3.29Å
939E80.4Confident79.8Confident118 Ų118111.2 Ų111.255%0.55154%0.544SS*.Hα-helixtrans-64.1-43.8176.2-167.7176.6-165.700111.7D935 L936 K941 Q942 L943D935-E939 PolarHBondContact O-N 2.92Å; L936-E939 PolarHBondContact O-N 3.45Å; E939-K941 PolarHBondContact O-N 3.09Å; E939-Q942 WeakPolarHBondContact O-CB 3.35Å; E939-Q942 PolarHBondContact O-N 3.43Å; E939-Q942 VanDerWaalsContact O-N 3.15Å; E939-L943 PolarHBondContact O-N 2.93Å
940N76.8Confident79.1Confident95 Ų95107.9 Ų107.951%0.50853%0.534SS..Hα-helixtrans-64.4-40179-155.8-0.5000111.9L936 Q942 L943 Q944L936-N940 WeakPolarHBondContact O-CB 3.38Å; L936-N940 PolarHBondContact O-N 2.95Å; N940-Q942 VanDerWaalsContact C-N 3.33Å; N940-Q942 PolarHBondContact O-N 2.9Å; N940-L943 PolarHBondContact O-N 3.49Å; N940-Q944 PolarHBondContact O-N 2.86Å
941K80.2Confident78Confident148 Ų148105.9 Ų105.964%0.64353%0.527SS*.Hα-helixtrans-57.7-43.2172-88.4-177.1175.4178.10112.4Q937 N938 E939 Q944 T945Q937-K941 PolarHBondContact O-N 2.92Å; Q937-K941 VanDerWaalsContact O-N 3.11Å; N938-K941 PolarHBondContact O-N 3.42Å; E939-K941 PolarHBondContact O-N 3.09Å; K941-Q944 PolarHBondContact O-N 2.96Å; K941-T945 PolarHBondContact O-N 3.43Å; K941-T945 VanDerWaalsContact O-N 3.08Å; K941-T945 PolarHBondContact O-OG1 3.25Å; K941-T945 VanDerWaalsContact O-OG1 3.06Å
942Q80Confident77.2Confident119 Ų119101.7 Ų101.756%0.55652%0.522SS*.Hα-helixtrans-64.1-40.5177.3-79.5-176.65.500112.7N938 E939 N940 Q944 T945 R946N938-Q942 PolarHBondContact O-N 3.29Å; E939-Q942 WeakPolarHBondContact O-CB 3.35Å; E939-Q942 PolarHBondContact O-N 3.43Å; E939-Q942 VanDerWaalsContact O-N 3.15Å; N940-Q942 VanDerWaalsContact C-N 3.33Å; N940-Q942 PolarHBondContact O-N 2.9Å; Q942-Q944 VanDerWaalsContact C-N 3.32Å; Q942-Q944 PolarHBondContact O-N 3.25Å; Q942-T945 PolarHBondContact O-N 3.37Å; Q942-R946 WeakPolarHBondContact O-CG 3.3Å; Q942-R946 PolarHBondContact O-N 3.49Å; Q942-R946 VanDerWaalsContact O-N 3.07Å
943L78.6Confident75.8Confident92 Ų92105.2 Ų105.248%0.48253%0.527SS..Hα-helixtrans-62.9-40.7176.1-70.6174.1000111.5E939 N940 R946 L947E939-L943 PolarHBondContact O-N 2.93Å; N940-L943 PolarHBondContact O-N 3.49Å; L943-R946 PolarHBondContact O-N 2.95Å; L943-L947 WeakPolarHBondContact O-CB 3.2Å; L943-L947 PolarHBondContact O-N 3.49Å
944Q75.2Confident74.4Confident117 Ų117106.7 Ų106.755%0.54753%0.534SS..Hα-helixtrans-63-43.6176.9-135.6123.826.400111.8N940 K941 Q942 R946 L947 T948N940-Q944 PolarHBondContact O-N 2.86Å; K941-Q944 PolarHBondContact O-N 2.96Å; Q942-Q944 VanDerWaalsContact C-N 3.32Å; Q942-Q944 PolarHBondContact O-N 3.25Å; Q944-R946 PolarHBondContact O-N 3.18Å; Q944-L947 WeakPolarHBondContact O-CB 3.21Å; Q944-L947 PolarHBondContact O-N 3.38Å; Q944-T948 PolarHBondContact O-N 3.26Å; Q944-T948 PolarHBondContact O-OG1 3.04Å
945T75.1Confident72.8Confident79 Ų79111 Ų11149%0.48555%0.55SS.*Hα-helixtrans-60.8-45.1176-50.90000111.7K941 Q942 L947 T948 E949K941-T945 PolarHBondContact O-N 3.43Å; K941-T945 VanDerWaalsContact O-N 3.08Å; K941-T945 PolarHBondContact O-OG1 3.25Å; K941-T945 VanDerWaalsContact O-OG1 3.06Å; Q942-T945 PolarHBondContact O-N 3.37Å; T945-L947 VanDerWaalsContact C-N 3.31Å; T945-L947 PolarHBondContact O-N 3.43Å; T945-T948 PolarHBondContact O-N 2.97Å; T945-E949 PolarHBondContact O-N 3.28Å
946R78.2Confident71.2Confident162 Ų162110.5 Ų110.561%0.61155%0.554SS**Hα-helixtrans-61.2-39.2175.9-74-179.7176.8156.32.1112.4Q942 L943 Q944 A950Q942-R946 WeakPolarHBondContact O-CG 3.3Å; Q942-R946 PolarHBondContact O-N 3.49Å; Q942-R946 VanDerWaalsContact O-N 3.07Å; L943-R946 PolarHBondContact O-N 2.95Å; Q944-R946 PolarHBondContact O-N 3.18Å; R946-A950 WeakPolarHBondContact O-CB 3.44Å; R946-A950 PolarHBondContact O-N 2.92Å
947L77.5Confident69.3Low101 Ų101112.6 Ų112.653%0.52957%0.565SS.*Hα-helixtrans-62.9-47175.7-168.293.7000110.8L943 Q944 T945 E949 A950 H951L943-L947 WeakPolarHBondContact O-CB 3.2Å; L943-L947 PolarHBondContact O-N 3.49Å; Q944-L947 WeakPolarHBondContact O-CB 3.21Å; Q944-L947 PolarHBondContact O-N 3.38Å; T945-L947 VanDerWaalsContact C-N 3.31Å; T945-L947 PolarHBondContact O-N 3.43Å; L947-E949 PolarHBondContact O-N 3.02Å; L947-A950 PolarHBondContact O-N 3.42Å; L947-H951 PolarHBondContact O-N 2.87Å; L947-H951 PolarHBondContact O-ND1 2.85Å
948T75Confident67.2Low83 Ų83117.3 Ų117.351%0.50958%0.578SS.*Hα-helixtrans-63.9-39.7179.3-530000112.3Q944 T945 H951 S952Q944-T948 PolarHBondContact O-N 3.26Å; Q944-T948 PolarHBondContact O-OG1 3.04Å; T945-T948 PolarHBondContact O-N 2.97Å; T948-H951 PolarHBondContact O-N 2.96Å; T948-S952 PolarHBondContact O-N 3.16Å; T948-S952 PolarHBondContact O-OG 3Å
949E72.5Confident64.9Low105 Ų105118.5 Ų118.549%0.49159%0.589SS.*Hα-helixtrans-64.3-40.5174.9-76.1179.8-178.700112.6T945 L947 H951 S952 R953T945-E949 PolarHBondContact O-N 3.28Å; L947-E949 PolarHBondContact O-N 3.02Å; E949-H951 VanDerWaalsContact C-N 3.34Å; E949-S952 PolarHBondContact O-N 3.44Å; E949-R953 PolarHBondContact O-N 3.44Å
950A67.5Low62.4Low51 Ų51121.9 Ų121.942%0.42160%0.601SS.*Hα-helixtrans-62.8-41.3175.300000111.7R946 L947 R953 L954R946-A950 WeakPolarHBondContact O-CB 3.44Å; R946-A950 PolarHBondContact O-N 2.92Å; L947-A950 PolarHBondContact O-N 3.42Å; A950-R953 PolarHBondContact O-N 3.18Å; A950-L954 PolarHBondContact O-N 3.49Å
951H63.6Low59.9Low113 Ų113123.9 Ų123.952%0.52362%0.618SS.*Hα-helixtrans-64-43.4174.7-7594.4000112.2L947 T948 E949 L954 Q955L947-H951 PolarHBondContact O-N 2.87Å; L947-H951 PolarHBondContact O-ND1 2.85Å; T948-H951 PolarHBondContact O-N 2.96Å; E949-H951 VanDerWaalsContact C-N 3.34Å; H951-L954 PolarHBondContact O-N 3.3Å; H951-Q955 PolarHBondContact O-N 3.31Å
952S64.8Low57.2Low71 Ų71122.2 Ų122.250%0.49763%0.625SS.*Hα-helixtrans-64.3-40.4177.1-73.70000112.6T948 E949 L954 Q955 S956T948-S952 PolarHBondContact O-N 3.16Å; T948-S952 PolarHBondContact O-OG 3Å; E949-S952 PolarHBondContact O-N 3.44Å; S952-L954 VanDerWaalsContact C-N 3.33Å; S952-L954 PolarHBondContact O-N 3.11Å; S952-Q955 PolarHBondContact O-N 2.94Å; S952-S956 PolarHBondContact O-N 3.4Å; S952-S956 VanDerWaalsContact O-N 3.1Å
953R56.9Low54.4Low179 Ų179120.6 Ų120.668%0.67563%0.632SS**Hα-helixtrans-59.6-43.7173.3-86.4-178.2169.2130.3-2.5111.6E949 A950 Q955 S956E949-R953 PolarHBondContact O-N 3.44Å; A950-R953 PolarHBondContact O-N 3.18Å; R953-Q955 VanDerWaalsContact C-N 3.33Å; R953-Q955 PolarHBondContact O-N 2.95Å; R953-S956 PolarHBondContact O-N 2.98Å; R953-S956 PolarHBondContact O-OG 2.88Å
954L51.6Low51.8Low125 Ų125126.8 Ų126.865%0.65465%0.649SS**Hα-helixtrans-65.3-34.2176.3-85.5166.5000113.2A950 H951 S952A950-L954 PolarHBondContact O-N 3.49Å; H951-L954 PolarHBondContact O-N 3.3Å; S952-L954 VanDerWaalsContact C-N 3.33Å; S952-L954 PolarHBondContact O-N 3.11Å
955Q50.3Low49.5Very low154 Ų154128.8 Ų128.872%0.7266%0.658SS**Hα-helixtrans-74.4-32.5-178.6-143.6167.121.200112.5H951 S952 R953 L957 R958H951-Q955 PolarHBondContact O-N 3.31Å; S952-Q955 PolarHBondContact O-N 2.94Å; R953-Q955 VanDerWaalsContact C-N 3.33Å; R953-Q955 PolarHBondContact O-N 2.95Å; Q955-L957 VanDerWaalsContact C-N 3.28Å; Q955-L957 PolarHBondContact O-N 2.74Å; Q955-R958 PolarHBondContact O-N 3.45Å
956S49.7Very low47.2Very low86 Ų86130.3 Ų130.360%0.60166%0.663SS**Hα-helixtrans-68.7-20.4176.869.60000114.6S952 R953S952-S956 PolarHBondContact O-N 3.4Å; S952-S956 VanDerWaalsContact O-N 3.1Å; R953-S956 PolarHBondContact O-N 2.98Å; R953-S956 PolarHBondContact O-OG 2.88Å
957L39.8Very low44.7Very low150 Ų150128.4 Ų128.479%0.78567%0.665SS**THydrogen-bonded Turntrans-91.51.2-179.7-75.4168.3000114.3Q955Q955-L957 VanDerWaalsContact C-N 3.28Å; Q955-L957 PolarHBondContact O-N 2.74Å
958R37.1Very low42.3Very low218 Ų218129.7 Ų129.782%0.82367%0.672SS**  trans-10812.4-168.3-142.6174.1-178.2178-0.3115.9Q955 K960Q955-R958 PolarHBondContact O-N 3.45Å; R958-K960 PolarHBondContact O-N 3.47Å
959T32.6Very low40Very low122 Ų122131.5 Ų131.575%0.74868%0.683SS**  trans-89.464174.550.50000112.2
960K26.9Very low37.9Very low189 Ų189133.6 Ų133.682%0.82270%0.698SS**  trans-173.2141.7159.6-99.3149.1-170.8-1740108.7R958R958-K960 PolarHBondContact O-N 3.47Å
961T25.4Very low35.9Very low138 Ų138138.9 Ų138.985%0.84771%0.711SS**  trans84.3101.8-177.681.60000114.9
962S23.2Very low34Very low113 Ų113140.9 Ų140.979%0.7972%0.72SS**  7493.782.5-163.70000111.5
963A21.9Very low32.1Very low85 Ų85143.1 Ų143.170%0.70274%0.736SS**  82.4128.69200000115
964R23.1Very low30.5Very low222 Ų222140.2 Ų140.284%0.83874%0.743SS**  trans97136155.2-60.7-177.4171.3-174.7-3.5120.2
965H26.4Very low29.2Very low159 Ų159138.6 Ų138.674%0.73675%0.748SS**  trans74.3142.8155.6-70.4-48.3000117.2
966N26.6Very low27.9Very low111 Ų111142 Ų14259%0.59476%0.755SS**  cis-172.4161.3-7.3-126.929.8000106.3
967D26.1Very low26.8Very low122 Ų122143 Ų14365%0.65276%0.762SS**  trans61.5146.7148.3-53.2-15.7000118.9
968D26.8Very low26.1Very low128 Ų128140.3 Ų140.368%0.68476%0.757SS**  cis-166.8142.3-17.8-112.8-25.1000106.5
969T28.2Very low25.8Very low121 Ų121136.7 Ų136.774%0.74275%0.752SS**  trans34.1117143.267.30000121.1
970N28Very low25.7Very low149 Ų149137.7 Ų137.780%0.79775%0.753SS**  -158.3107.4126.8-143.44000113.9
971K24.6Very low25.8Very low161 Ų161135.2 Ų135.270%0.775%0.749SS**  trans46117.1133.5-73.9-174.7160.7-179.10123.6
972H24.6Very low26.4Very low155 Ų155136 Ų13672%0.71875%0.748SS**  93.9136.2116.9-67.6-43.6000122.7
973S24.2Very low27.4Very low119 Ų119137.5 Ų137.583%0.83275%0.752SS**  trans74.9106170.4-74.90000117
974S24.2Very low28.6Very low118 Ų118137.5 Ų137.583%0.82575%0.747SS**  cis81.713337.6-168.20000115.7
975A24.1Very low30.1Very low90 Ų90130.1 Ų130.174%0.74473%0.728SS**  trans79.8109.5173.500000115.3
976Y22.3Very low31.7Very low225 Ų225131.1 Ų131.188%0.88273%0.73SS**  cis76.9127.839.8-147.1-93.3000114.5
977S26.1Very low33.3Very low107 Ų107131.3 Ų131.375%0.74873%0.731SS**  trans75.8149.4168.376.50000117.1
978S25.8Very low35.3Very low95 Ų95128.3 Ų128.366%0.66472%0.716SS**  cis172.7153-12.7-172.80000105.9
979I30.2Very low37.4Very low142 Ų142126.3 Ų126.373%0.72871%0.706SS**  trans81.5112.7155.8-62.2142.9000119.9
980D30.1Very low39.6Very low142 Ų142125.3 Ų125.376%0.75970%0.696SS**  trans47.7123.8131.5-54.3-19.4000124.2
981D30.1Very low41.9Very low138 Ų138122.1 Ų122.174%0.73868%0.678SS**  trans40103.5138.9-72.9-15000120.4
982N37.4Very low44.6Very low155 Ų155120.5 Ų120.583%0.82967%0.671SS**  trans-163.2101.7134.5-94.5-41.2000111.1S984 P985N982-S984 VanDerWaalsContact C-N 3.27Å; N982-S984 PolarHBondContact O-N 3.25Å; N982-P985 VanDerWaalsContact O-CD 3.22Å; N982-P985 WeakPolarHBondContact O-CD 3.38Å
983T44.9Very low47.4Very low143 Ų143117.9 Ų117.988%0.87766%0.662SS**  trans-80.424.8-175.319.80000115
984S47.6Very low50.2Low85 Ų85117.3 Ų117.359%0.59465%0.646SS**  trans-137.447.7179.6-170.40000115.9N982N982-S984 VanDerWaalsContact C-N 3.27Å; N982-S984 PolarHBondContact O-N 3.25Å
985P53.3Low53Low68 Ų68115.9 Ų115.944%0.44263%0.629SS.*SBendtrans-115.9-27.3151.232.6-26.8000112.7N982 L987 V988 D989N982-P985 VanDerWaalsContact O-CD 3.22Å; N982-P985 WeakPolarHBondContact O-CD 3.38Å; P985-L987 PolarHBondContact O-N 3.42Å; P985-V988 CarbonylContact O-C 3.52Å; P985-V988 WeakPolarHBondContact O-CA 3.26Å; P985-V988 WeakPolarHBondContact O-CB 3.42Å; P985-V988 PolarHBondContact O-N 2.97Å; P985-V988 VanDerWaalsContact O-N 3.13Å; P985-D989 WeakPolarHBondContact O-CB 3.47Å; P985-D989 PolarHBondContact O-N 3.5Å
986K60.5Low55.8Low180 Ų180114.4 Ų114.478%0.78361%0.612SS**Hα-helixtrans-68.4-36.1-178.7-70.8-175.9178.6177.60113.7V988 D989 N990K986-V988 VanDerWaalsContact C-N 3.34Å; K986-D989 PolarHBondContact O-N 2.93Å; K986-N990 WeakPolarHBondContact O-CB 3.22Å; K986-N990 PolarHBondContact O-N 3.48Å
987L61.1Low58.8Low115 Ų115109 Ų10960%0.60260%0.595SS**Hα-helixtrans-68.4-38.3171.9-171.671.5000110.6P985 D989 N990 L991P985-L987 PolarHBondContact O-N 3.42Å; L987-D989 VanDerWaalsContact C-N 3.33Å; L987-N990 PolarHBondContact O-N 2.91Å; L987-L991 HydrophobicContact CG-CD1 4.16Å; L987-L991 WeakPolarHBondContact O-CB 3.44Å; L987-L991 VanDerWaalsContact O-CG 3.27Å; L987-L991 WeakPolarHBondContact O-CG 3.28Å; L987-L991 PolarHBondContact O-N 2.96Å
988V67.2Low61.6Low58 Ų58108.5 Ų108.535%0.35258%0.584SS.*Hα-helixtrans-64.9-39.3175.8177.90000110.8P985 K986 K992P985-V988 CarbonylContact O-C 3.52Å; P985-V988 WeakPolarHBondContact O-CA 3.26Å; P985-V988 WeakPolarHBondContact O-CB 3.42Å; P985-V988 PolarHBondContact O-N 2.97Å; P985-V988 VanDerWaalsContact O-N 3.13Å; K986-V988 VanDerWaalsContact C-N 3.34Å; V988-K992 HydrophobicContact CG1-CD 4.26Å; V988-K992 HydrophobicContact CG1-CG 4.49Å; V988-K992 VanDerWaalsContact O-CB 3.28Å; V988-K992 WeakPolarHBondContact O-CB 3.47Å; V988-K992 WeakPolarHBondContact O-CG 3.45Å; V988-K992 PolarHBondContact O-N 2.99Å
989D72Confident64.5Low86 Ų86109.6 Ų109.646%0.4658%0.578SS.*Hα-helixtrans-71.5-36.2177.9-66.9-27.1000111.6P985 K986 L987 K992 L993P985-D989 WeakPolarHBondContact O-CB 3.47Å; P985-D989 PolarHBondContact O-N 3.5Å; K986-D989 PolarHBondContact O-N 2.93Å; L987-D989 VanDerWaalsContact C-N 3.33Å; D989-K992 PolarHBondContact O-N 3.31Å; D989-L993 WeakPolarHBondContact O-CB 3.36Å; D989-L993 PolarHBondContact O-N 2.9Å
990N74.3Confident67.2Low101 Ų101107.6 Ų107.654%0.5457%0.569SS.*Hα-helixtrans-70.2-42.4175-152.58.8000111.5K986 L987 K992 L993 E994K986-N990 WeakPolarHBondContact O-CB 3.22Å; K986-N990 PolarHBondContact O-N 3.48Å; L987-N990 PolarHBondContact O-N 2.91Å; N990-K992 VanDerWaalsContact C-N 3.34Å; N990-K992 PolarHBondContact O-N 3.43Å; N990-L993 WeakPolarHBondContact O-CB 3.09Å; N990-L993 PolarHBondContact O-N 2.92Å; N990-E994 WeakPolarHBondContact O-CB 3.41Å; N990-E994 PolarHBondContact O-N 3.43Å
991L75.6Confident70.1Confident82 Ų82105.1 Ų105.143%0.42956%0.555SS.*Hα-helixtrans-64.5-37.1171.8-72.5172.4000111.5L987 L993 E994 I995L987-L991 HydrophobicContact CG-CD1 4.16Å; L987-L991 WeakPolarHBondContact O-CB 3.44Å; L987-L991 VanDerWaalsContact O-CG 3.27Å; L987-L991 WeakPolarHBondContact O-CG 3.28Å; L987-L991 PolarHBondContact O-N 2.96Å; L991-L993 VanDerWaalsContact C-N 3.32Å; L991-L993 PolarHBondContact O-N 3.12Å; L991-E994 PolarHBondContact O-N 3.33Å; L991-I995 VanDerWaalsContact O-CB 3.23Å; L991-I995 WeakPolarHBondContact O-CB 3.49Å; L991-I995 WeakPolarHBondContact O-CD1 3.46Å; L991-I995 WeakPolarHBondContact O-CG1 3.41Å; L991-I995 PolarHBondContact O-N 3.45Å
992K81.6Confident72.8Confident127 Ų127103.3 Ų103.355%0.55254%0.544SS*.Hα-helixtrans-62.6-40.4172.4-82.6173.2-179.1173.10111.6V988 D989 N990 S996V988-K992 HydrophobicContact CG1-CD 4.26Å; V988-K992 HydrophobicContact CG1-CG 4.49Å; V988-K992 VanDerWaalsContact O-CB 3.28Å; V988-K992 WeakPolarHBondContact O-CB 3.47Å; V988-K992 WeakPolarHBondContact O-CG 3.45Å; V988-K992 PolarHBondContact O-N 2.99Å; D989-K992 PolarHBondContact O-N 3.31Å; N990-K992 VanDerWaalsContact C-N 3.34Å; N990-K992 PolarHBondContact O-N 3.43Å; K992-S996 VanDerWaalsContact O-CB 3.26Å; K992-S996 WeakPolarHBondContact O-CB 3.35Å; K992-S996 PolarHBondContact O-N 3.36Å
993L82.9Confident75.2Confident100 Ų100102.9 Ų102.952%0.52454%0.535SS..Hα-helixtrans-65.4-44.6176.8-168.273.2000111D989 N990 L991 S996 Q997D989-L993 WeakPolarHBondContact O-CB 3.36Å; D989-L993 PolarHBondContact O-N 2.9Å; N990-L993 WeakPolarHBondContact O-CB 3.09Å; N990-L993 PolarHBondContact O-N 2.92Å; L991-L993 VanDerWaalsContact C-N 3.32Å; L991-L993 PolarHBondContact O-N 3.12Å; L993-S996 WeakPolarHBondContact O-CB 3.36Å; L993-S996 PolarHBondContact O-N 2.92Å; L993-Q997 WeakPolarHBondContact O-CG 3.24Å; L993-Q997 PolarHBondContact O-N 2.91Å
994E82.7Confident77.3Confident106 Ų106101.3 Ų101.350%0.49552%0.521SS..Hα-helixtrans-66.8-41.8178.1-163172.7-152.700111.7N990 L991 S996 Q997 L998N990-E994 WeakPolarHBondContact O-CB 3.41Å; N990-E994 PolarHBondContact O-N 3.43Å; L991-E994 PolarHBondContact O-N 3.33Å; E994-S996 VanDerWaalsContact C-N 3.3Å; E994-S996 PolarHBondContact O-N 3.04Å; E994-Q997 PolarHBondContact O-N 3.4Å; E994-L998 WeakPolarHBondContact O-CG 3.33Å; E994-L998 PolarHBondContact O-N 2.81Å
995I82.9Confident79.1Confident89 Ų89102.5 Ų102.546%0.45652%0.517SS..Hα-helixtrans-60-41.9171.3-71.7164.5000110.4L991 L998 Q999L991-I995 VanDerWaalsContact O-CB 3.23Å; L991-I995 WeakPolarHBondContact O-CB 3.49Å; L991-I995 WeakPolarHBondContact O-CD1 3.46Å; L991-I995 WeakPolarHBondContact O-CG1 3.41Å; L991-I995 PolarHBondContact O-N 3.45Å; I995-L998 PolarHBondContact O-N 3.38Å; I995-Q999 HydrophobicContact CG2-CG 4.34Å; I995-Q999 WeakPolarHBondContact O-CB 3.44Å; I995-Q999 VanDerWaalsContact O-CG 3.23Å; I995-Q999 WeakPolarHBondContact O-CG 3.49Å; I995-Q999 PolarHBondContact O-N 2.95Å
996S83.3Confident80.8Confident58 Ų58102.4 Ų102.441%0.40652%0.516SS..Hα-helixtrans-67.2-36.3178.8-161.60000112.2K992 L993 E994 Q999 N1000K992-S996 VanDerWaalsContact O-CB 3.26Å; K992-S996 WeakPolarHBondContact O-CB 3.35Å; K992-S996 PolarHBondContact O-N 3.36Å; L993-S996 WeakPolarHBondContact O-CB 3.36Å; L993-S996 PolarHBondContact O-N 2.92Å; E994-S996 VanDerWaalsContact C-N 3.3Å; E994-S996 PolarHBondContact O-N 3.04Å; S996-Q999 PolarHBondContact O-N 3.22Å; S996-N1000 PolarHBondContact O-N 3.48Å
997Q85.9Confident82.1Confident112 Ų11296.3 Ų96.352%0.52350%0.496SS..Hα-helixtrans-66.1-45.8172.1-72.5175.85.700111.9L993 E994 Q999 N1000 I1001L993-Q997 WeakPolarHBondContact O-CG 3.24Å; L993-Q997 PolarHBondContact O-N 2.91Å; E994-Q997 PolarHBondContact O-N 3.4Å; Q997-Q999 VanDerWaalsContact C-N 3.31Å; Q997-Q999 PolarHBondContact O-N 3.18Å; Q997-N1000 WeakPolarHBondContact O-CB 3.39Å; Q997-N1000 PolarHBondContact O-N 2.9Å; Q997-N1000 VanDerWaalsContact O-N 3.16Å; Q997-I1001 WeakPolarHBondContact O-CG1 3.5Å; Q997-I1001 PolarHBondContact O-N 3.3Å
998L84.3Confident83.2Confident96 Ų9694.4 Ų94.450%0.50349%0.489SS..Hα-helixtrans-62.8-38.5175.7-71.7173.2000111.8E994 I995 N1000 I1001 I1002E994-L998 WeakPolarHBondContact O-CG 3.33Å; E994-L998 PolarHBondContact O-N 2.81Å; I995-L998 PolarHBondContact O-N 3.38Å; L998-N1000 VanDerWaalsContact C-N 3.33Å; L998-N1000 PolarHBondContact O-N 2.91Å; L998-I1001 PolarHBondContact O-N 3.35Å; L998-I1002 WeakPolarHBondContact O-CB 3.42Å; L998-I1002 VanDerWaalsContact O-CG1 3.24Å; L998-I1002 WeakPolarHBondContact O-CG1 3.25Å; L998-I1002 PolarHBondContact O-N 3.32Å
999Q87.5Confident84Confident118 Ų11895.5 Ų95.555%0.55149%0.492SS*.Hα-helixtrans-61.7-39.7173.5-78.3174.3-16.600112I995 S996 Q997 K1003I995-Q999 HydrophobicContact CG2-CG 4.34Å; I995-Q999 WeakPolarHBondContact O-CB 3.44Å; I995-Q999 VanDerWaalsContact O-CG 3.23Å; I995-Q999 WeakPolarHBondContact O-CG 3.49Å; I995-Q999 PolarHBondContact O-N 2.95Å; S996-Q999 PolarHBondContact O-N 3.22Å; Q997-Q999 VanDerWaalsContact C-N 3.31Å; Q997-Q999 PolarHBondContact O-N 3.18Å; Q999-K1003 VanDerWaalsContact O-CB 3.3Å; Q999-K1003 WeakPolarHBondContact O-CB 3.42Å; Q999-K1003 PolarHBondContact O-N 2.95Å
1000N87Confident84.6Confident100 Ų10097.5 Ų97.554%0.53550%0.499SS..Hα-helixtrans-66.6-42.9173.9-85.1-22.4000112.4S996 Q997 L998 I1002 K1003 D1004S996-N1000 PolarHBondContact O-N 3.48Å; Q997-N1000 WeakPolarHBondContact O-CB 3.39Å; Q997-N1000 PolarHBondContact O-N 2.9Å; Q997-N1000 VanDerWaalsContact O-N 3.16Å; L998-N1000 VanDerWaalsContact C-N 3.33Å; L998-N1000 PolarHBondContact O-N 2.91Å; N1000-I1002 VanDerWaalsContact C-N 3.34Å; N1000-I1002 PolarHBondContact O-N 3.23Å; N1000-K1003 WeakPolarHBondContact O-CB 3.22Å; N1000-K1003 PolarHBondContact O-N 3.22Å; N1000-D1004 PolarHBondContact O-N 3.49Å
1001I89.9Confident85.4Confident91 Ų9196.8 Ų96.847%0.46750%0.498SS..Hα-helixtrans-62.5-43.7176.8-66.9166.9000110.7Q997 L998 K1003 D1004 Q1005Q997-I1001 WeakPolarHBondContact O-CG1 3.5Å; Q997-I1001 PolarHBondContact O-N 3.3Å; L998-I1001 PolarHBondContact O-N 3.35Å; I1001-K1003 VanDerWaalsContact C-N 3.31Å; I1001-K1003 PolarHBondContact O-N 3.35Å; I1001-D1004 PolarHBondContact O-N 2.85Å; I1001-Q1005 HydrophobicContact CG2-CG 4.47Å; I1001-Q1005 WeakPolarHBondContact O-CB 3.42Å; I1001-Q1005 WeakPolarHBondContact O-CG 3.42Å; I1001-Q1005 PolarHBondContact O-N 2.86Å
1002I86.5Confident85.9Confident99 Ų9998.1 Ų98.151%0.50851%0.505SS..Hα-helixtrans-63.6-39.6176.4-69.8167.4000110.4L998 N1000 Q1005 T1006L998-I1002 WeakPolarHBondContact O-CB 3.42Å; L998-I1002 VanDerWaalsContact O-CG1 3.24Å; L998-I1002 WeakPolarHBondContact O-CG1 3.25Å; L998-I1002 PolarHBondContact O-N 3.32Å; N1000-I1002 VanDerWaalsContact C-N 3.34Å; N1000-I1002 PolarHBondContact O-N 3.23Å; I1002-Q1005 PolarHBondContact O-N 3.32Å; I1002-T1006 WeakPolarHBondContact O-CB 3.48Å; I1002-T1006 PolarHBondContact O-N 3.05Å; I1002-T1006 PolarHBondContact O-OG1 3.06Å
1003K89.2Confident86.3Confident147 Ų147100.5 Ų100.564%0.63951%0.51SS*.Hα-helixtrans-64-44.7176.5-172.3-179.6179.2-176.30111.9Q999 N1000 I1001 T1006 S1007Q999-K1003 VanDerWaalsContact O-CB 3.3Å; Q999-K1003 WeakPolarHBondContact O-CB 3.42Å; Q999-K1003 PolarHBondContact O-N 2.95Å; N1000-K1003 WeakPolarHBondContact O-CB 3.22Å; N1000-K1003 PolarHBondContact O-N 3.22Å; I1001-K1003 VanDerWaalsContact C-N 3.31Å; I1001-K1003 PolarHBondContact O-N 3.35Å; K1003-T1006 PolarHBondContact O-N 3.41Å; K1003-S1007 PolarHBondContact O-N 3.49Å
1004D87.3Confident86.3Confident110 Ų11099.2 Ų99.259%0.58851%0.51SS*.Hα-helixtrans-62-46.9174.1-87.33.6000110.9N1000 I1001 T1006 S1007 T1008N1000-D1004 PolarHBondContact O-N 3.49Å; I1001-D1004 PolarHBondContact O-N 2.85Å; D1004-T1006 VanDerWaalsContact C-N 3.29Å; D1004-T1006 PolarHBondContact O-N 2.93Å; D1004-S1007 PolarHBondContact O-N 3.42Å; D1004-S1007 VanDerWaalsContact O-N 3.13Å; D1004-S1007 PolarHBondContact O-OG 3.46Å; D1004-T1008 PolarHBondContact O-N 2.84Å; D1004-T1008 PolarHBondContact O-OG1 2.79Å
1005Q85.5Confident86.5Confident109 Ų10998.5 Ų98.551%0.50951%0.509SS..Hα-helixtrans-58.8-41.3175-75.6-179.1-22.500111.8I1001 I1002 S1007 T1008 I1009I1001-Q1005 HydrophobicContact CG2-CG 4.47Å; I1001-Q1005 WeakPolarHBondContact O-CB 3.42Å; I1001-Q1005 WeakPolarHBondContact O-CG 3.42Å; I1001-Q1005 PolarHBondContact O-N 2.86Å; I1002-Q1005 PolarHBondContact O-N 3.32Å; Q1005-S1007 VanDerWaalsContact C-N 3.34Å; Q1005-S1007 PolarHBondContact O-N 3.29Å; Q1005-T1008 WeakPolarHBondContact CA-OG1 3.37Å; Q1005-T1008 PolarHBondContact O-N 2.82Å; Q1005-T1008 PolarHBondContact O-OG1 2.74Å; Q1005-I1009 WeakPolarHBondContact O-CB 3.35Å; Q1005-I1009 WeakPolarHBondContact O-CD1 3.44Å; Q1005-I1009 WeakPolarHBondContact O-CG1 3.44Å; Q1005-I1009 PolarHBondContact O-N 3.36Å
1006T89.1Confident86.6Confident66 Ų6699.5 Ų99.541%0.40552%0.515SS..Hα-helixtrans-62.5-43176.5-53.50000110.7I1002 K1003 D1004 T1008 I1009 E1010I1002-T1006 WeakPolarHBondContact O-CB 3.48Å; I1002-T1006 PolarHBondContact O-N 3.05Å; I1002-T1006 PolarHBondContact O-OG1 3.06Å; K1003-T1006 PolarHBondContact O-N 3.41Å; D1004-T1006 VanDerWaalsContact C-N 3.29Å; D1004-T1006 PolarHBondContact O-N 2.93Å; T1006-T1008 PolarHBondContact O-N 3.36Å; T1006-I1009 PolarHBondContact O-N 2.84Å; T1006-E1010 WeakPolarHBondContact O-CG 3.41Å; T1006-E1010 PolarHBondContact O-N 3.37Å
1007S87.5Confident86.6Confident53 Ų53103.3 Ų103.337%0.37153%0.526SS..Hα-helixtrans-63.9-39.7175.276.90000112.5K1003 D1004 Q1005 I1009 E1010 V1011K1003-S1007 PolarHBondContact O-N 3.49Å; D1004-S1007 PolarHBondContact O-N 3.42Å; D1004-S1007 VanDerWaalsContact O-N 3.13Å; D1004-S1007 PolarHBondContact O-OG 3.46Å; Q1005-S1007 VanDerWaalsContact C-N 3.34Å; Q1005-S1007 PolarHBondContact O-N 3.29Å; S1007-I1009 VanDerWaalsContact C-N 3.34Å; S1007-I1009 PolarHBondContact O-N 2.97Å; S1007-E1010 PolarHBondContact O-N 3.29Å; S1007-V1011 WeakPolarHBondContact O-CG2 3.27Å; S1007-V1011 PolarHBondContact O-N 2.88Å
1008T86.1Confident86.3Confident74 Ų7499.5 Ų99.545%0.45452%0.517SS..Hα-helixtrans-67.1-36.217557.60000112D1004 Q1005 T1006 V1011 L1012D1004-T1008 PolarHBondContact O-N 2.84Å; D1004-T1008 PolarHBondContact O-OG1 2.79Å; Q1005-T1008 WeakPolarHBondContact CA-OG1 3.37Å; Q1005-T1008 PolarHBondContact O-N 2.82Å; Q1005-T1008 PolarHBondContact O-OG1 2.74Å; T1006-T1008 PolarHBondContact O-N 3.36Å; T1008-V1011 PolarHBondContact O-N 2.98Å; T1008-L1012 WeakPolarHBondContact O-CB 3.32Å; T1008-L1012 VanDerWaalsContact O-CG 3.23Å; T1008-L1012 WeakPolarHBondContact O-CG 3.27Å; T1008-L1012 PolarHBondContact O-N 3.12Å
1009I83.1Confident86Confident82 Ų8298.2 Ų98.242%0.42151%0.513SS..Hα-helixtrans-67.2-39.6174.9-69.5163.9000110.1Q1005 T1006 S1007 L1012 R1013Q1005-I1009 WeakPolarHBondContact O-CB 3.35Å; Q1005-I1009 WeakPolarHBondContact O-CD1 3.44Å; Q1005-I1009 WeakPolarHBondContact O-CG1 3.44Å; Q1005-I1009 PolarHBondContact O-N 3.36Å; T1006-I1009 PolarHBondContact O-N 2.84Å; S1007-I1009 VanDerWaalsContact C-N 3.34Å; S1007-I1009 PolarHBondContact O-N 2.97Å; I1009-L1012 PolarHBondContact O-N 2.92Å; I1009-R1013 HydrophobicContact CG2-CG 4.29Å; I1009-R1013 VanDerWaalsContact O-CB 3.27Å; I1009-R1013 WeakPolarHBondContact O-CB 3.44Å; I1009-R1013 WeakPolarHBondContact O-CG 3.41Å; I1009-R1013 PolarHBondContact O-N 3.09Å
1010E85.3Confident85.5Confident127 Ų12798.2 Ų98.259%0.59351%0.513SS*.Hα-helixtrans-64.5-43174.8-77.3179.6173.100112T1006 S1007 R1013 S1014T1006-E1010 WeakPolarHBondContact O-CG 3.41Å; T1006-E1010 PolarHBondContact O-N 3.37Å; S1007-E1010 PolarHBondContact O-N 3.29Å; E1010-R1013 PolarHBondContact O-N 2.93Å; E1010-S1014 WeakPolarHBondContact O-CB 3.46Å; E1010-S1014 PolarHBondContact O-N 3.37Å
1011V89.9Confident85Confident86 Ų8695.8 Ų95.852%0.52151%0.507SS..Hα-helixtrans-61.5-48.9173.1172.40000110.6S1007 T1008 R1013 S1014 D1015S1007-V1011 WeakPolarHBondContact O-CG2 3.27Å; S1007-V1011 PolarHBondContact O-N 2.88Å; T1008-V1011 PolarHBondContact O-N 2.98Å; V1011-R1013 VanDerWaalsContact C-N 3.27Å; V1011-R1013 PolarHBondContact O-N 3.26Å; V1011-S1014 CarbonylContact O-C 3.52Å; V1011-S1014 WeakPolarHBondContact O-CB 3.33Å; V1011-S1014 PolarHBondContact O-N 2.91Å; V1011-S1014 VanDerWaalsContact O-N 3.14Å; V1011-D1015 WeakPolarHBondContact O-CB 3.5Å; V1011-D1015 PolarHBondContact O-N 3.43Å
1012L87.1Confident84.1Confident110 Ų11097.3 Ų97.358%0.57651%0.512SS*.Hα-helixtrans-63-33.8177.9-73174.1000112.4T1008 I1009 L1016T1008-L1012 WeakPolarHBondContact O-CB 3.32Å; T1008-L1012 VanDerWaalsContact O-CG 3.23Å; T1008-L1012 WeakPolarHBondContact O-CG 3.27Å; T1008-L1012 PolarHBondContact O-N 3.12Å; I1009-L1012 PolarHBondContact O-N 2.92Å; L1012-L1016 VanDerWaalsContact O-CB 3.25Å; L1012-L1016 WeakPolarHBondContact O-CB 3.23Å; L1012-L1016 PolarHBondContact O-N 3.44Å
1013R89.7Confident83Confident177 Ų17798.2 Ų98.267%0.66852%0.517SS*.Hα-helixtrans-69.8-40.7173.7-78.5175.1178.7-159.40.5111.5I1009 E1010 V1011 D1015 L1016 E1017I1009-R1013 HydrophobicContact CG2-CG 4.29Å; I1009-R1013 VanDerWaalsContact O-CB 3.27Å; I1009-R1013 WeakPolarHBondContact O-CB 3.44Å; I1009-R1013 WeakPolarHBondContact O-CG 3.41Å; I1009-R1013 PolarHBondContact O-N 3.09Å; E1010-R1013 PolarHBondContact O-N 2.93Å; V1011-R1013 VanDerWaalsContact C-N 3.27Å; V1011-R1013 PolarHBondContact O-N 3.26Å; R1013-D1015 VanDerWaalsContact C-N 3.34Å; R1013-L1016 PolarHBondContact O-N 2.88Å; R1013-E1017 WeakPolarHBondContact O-CB 3.41Å; R1013-E1017 PolarHBondContact O-N 3.04Å
1014S83Confident82.3Confident73 Ų7394.7 Ų94.751%0.5151%0.512SS..Hα-helixtrans-64.2-39.6173.5-173.10000111.5E1010 V1011 G1018E1010-S1014 WeakPolarHBondContact O-CB 3.46Å; E1010-S1014 PolarHBondContact O-N 3.37Å; V1011-S1014 CarbonylContact O-C 3.52Å; V1011-S1014 WeakPolarHBondContact O-CB 3.33Å; V1011-S1014 PolarHBondContact O-N 2.91Å; V1011-S1014 VanDerWaalsContact O-N 3.14Å; S1014-G1018 PolarHBondContact O-N 3.37Å
1015D85.5Confident81.4Confident92 Ų9294.4 Ų94.449%0.49251%0.51SS..Hα-helixtrans-67.8-39.8174-72.2-15.8000110.5V1011 R1013 G1018 T1019V1011-D1015 WeakPolarHBondContact O-CB 3.5Å; V1011-D1015 PolarHBondContact O-N 3.43Å; R1013-D1015 VanDerWaalsContact C-N 3.34Å; D1015-G1018 PolarHBondContact O-N 2.96Å; D1015-T1019 WeakPolarHBondContact O-CB 3.37Å; D1015-T1019 VanDerWaalsContact O-CG2 3.26Å; D1015-T1019 WeakPolarHBondContact O-CG2 3.49Å; D1015-T1019 PolarHBondContact O-N 3.31Å; D1015-T1019 PolarHBondContact O-OG1 2.97Å
1016L85.6Confident80.3Confident109 Ų10993.9 Ų93.957%0.57151%0.51SS*.Hα-helixtrans-65.1-44.1175.8-152.8116.2000110.6L1012 R1013 G1018 T1019 Q1020L1012-L1016 VanDerWaalsContact O-CB 3.25Å; L1012-L1016 WeakPolarHBondContact O-CB 3.23Å; L1012-L1016 PolarHBondContact O-N 3.44Å; R1013-L1016 PolarHBondContact O-N 2.88Å; L1016-G1018 VanDerWaalsContact C-N 3.33Å; L1016-G1018 PolarHBondContact O-N 2.82Å; L1016-T1019 WeakPolarHBondContact CA-OG1 3.43Å; L1016-T1019 PolarHBondContact O-N 2.88Å; L1016-T1019 PolarHBondContact O-OG1 3.48Å; L1016-Q1020 WeakPolarHBondContact O-CB 3.31Å; L1016-Q1020 PolarHBondContact O-N 3.28Å
1017E83.7Confident79.2Confident139 Ų13997.3 Ų97.365%0.6552%0.52SS*.Hα-helixtrans-62-39.2172-81.5-176.2162.800111.9R1013 Q1020 A1021R1013-E1017 WeakPolarHBondContact O-CB 3.41Å; R1013-E1017 PolarHBondContact O-N 3.04Å; E1017-Q1020 PolarHBondContact O-N 3.39Å; E1017-A1021 VanDerWaalsContact O-CB 3.28Å; E1017-A1021 WeakPolarHBondContact O-CB 3.46Å; E1017-A1021 PolarHBondContact O-N 3.39Å
1018G80.4Confident78Confident32 Ų3297.5 Ų97.533%0.3353%0.529SS..Hα-helixtrans-65.1-45.4175.200000112.7S1014 D1015 L1016 Q1020 A1021 Q1022S1014-G1018 PolarHBondContact O-N 3.37Å; D1015-G1018 PolarHBondContact O-N 2.96Å; L1016-G1018 VanDerWaalsContact C-N 3.33Å; L1016-G1018 PolarHBondContact O-N 2.82Å; G1018-Q1020 VanDerWaalsContact C-N 3.3Å; G1018-Q1020 PolarHBondContact O-N 3.33Å; G1018-A1021 PolarHBondContact O-N 2.9Å; G1018-Q1022 WeakPolarHBondContact O-CG 3.14Å; G1018-Q1022 PolarHBondContact O-N 3.32Å
1019T77.9Confident77.1Confident69 Ų69101.1 Ų101.142%0.42354%0.541SS..Hα-helixtrans-66.9-33.1174.460.10000111.6D1015 L1016 Q1022 L1023D1015-T1019 WeakPolarHBondContact O-CB 3.37Å; D1015-T1019 VanDerWaalsContact O-CG2 3.26Å; D1015-T1019 WeakPolarHBondContact O-CG2 3.49Å; D1015-T1019 PolarHBondContact O-N 3.31Å; D1015-T1019 PolarHBondContact O-OG1 2.97Å; L1016-T1019 WeakPolarHBondContact CA-OG1 3.43Å; L1016-T1019 PolarHBondContact O-N 2.88Å; L1016-T1019 PolarHBondContact O-OG1 3.48Å; T1019-Q1022 PolarHBondContact O-N 2.91Å; T1019-L1023 WeakPolarHBondContact O-CB 3.46Å; T1019-L1023 WeakPolarHBondContact O-CG 3.26Å; T1019-L1023 PolarHBondContact O-N 2.94Å
1020Q75.9Confident76Confident117 Ų11799.5 Ų99.555%0.54753%0.533SS..Hα-helixtrans-74.5-34.2176.9-164.9165.9-5.500111.6L1016 E1017 G1018 L1023 S1024L1016-Q1020 WeakPolarHBondContact O-CB 3.31Å; L1016-Q1020 PolarHBondContact O-N 3.28Å; E1017-Q1020 PolarHBondContact O-N 3.39Å; G1018-Q1020 VanDerWaalsContact C-N 3.3Å; G1018-Q1020 PolarHBondContact O-N 3.33Å; Q1020-L1023 PolarHBondContact O-N 2.97Å; Q1020-S1024 WeakPolarHBondContact O-CB 3.45Å; Q1020-S1024 PolarHBondContact O-N 2.88Å
1021A76Confident75.2Confident49 Ų4998 Ų9841%0.40553%0.533SS..Hα-helixtrans-66-43.8168.100000110.8E1017 G1018 L1023 S1024 D1025E1017-A1021 VanDerWaalsContact O-CB 3.28Å; E1017-A1021 WeakPolarHBondContact O-CB 3.46Å; E1017-A1021 PolarHBondContact O-N 3.39Å; G1018-A1021 PolarHBondContact O-N 2.9Å; A1021-L1023 PolarHBondContact O-N 3.4Å; A1021-S1024 CarbonylContact O-C 3.58Å; A1021-S1024 WeakPolarHBondContact O-CA 3.45Å; A1021-S1024 WeakPolarHBondContact O-CB 3.49Å; A1021-S1024 PolarHBondContact O-N 3.02Å; A1021-D1025 PolarHBondContact O-N 3.17Å
1022Q70.8Confident74.2Confident124 Ų124101 Ų10158%0.57954%0.541SS*.Hα-helixtrans-61-41.1172.6-74.6174.7-800112.3G1018 T1019 S1024 D1025 L1026G1018-Q1022 WeakPolarHBondContact O-CG 3.14Å; G1018-Q1022 PolarHBondContact O-N 3.32Å; T1019-Q1022 PolarHBondContact O-N 2.91Å; Q1022-S1024 VanDerWaalsContact C-N 3.28Å; Q1022-S1024 PolarHBondContact O-N 2.96Å; Q1022-D1025 PolarHBondContact O-N 2.95Å; Q1022-L1026 VanDerWaalsContact O-CB 3.31Å; Q1022-L1026 WeakPolarHBondContact O-CB 3.48Å; Q1022-L1026 VanDerWaalsContact O-CG 3.22Å; Q1022-L1026 WeakPolarHBondContact O-CG 3.32Å; Q1022-L1026 PolarHBondContact O-N 3.36Å
1023L65.1Low73.7Confident117 Ų11799.7 Ų99.761%0.61354%0.541SS*.Hα-helixtrans-66.4-31.6172.5-75.1170.9000112T1019 Q1020 A1021 K1027T1019-L1023 WeakPolarHBondContact O-CB 3.46Å; T1019-L1023 WeakPolarHBondContact O-CG 3.26Å; T1019-L1023 PolarHBondContact O-N 2.94Å; Q1020-L1023 PolarHBondContact O-N 2.97Å; A1021-L1023 PolarHBondContact O-N 3.4Å; L1023-K1027 WeakPolarHBondContact O-CB 3.46Å; L1023-K1027 PolarHBondContact O-N 3.24Å
1024S74.7Confident72.8Confident74 Ų7495.4 Ų95.452%0.51753%0.528SS..Hα-helixtrans-72.4-38.4174.4-169.50000112.1Q1020 A1021 Q1022 K1027 G1028Q1020-S1024 WeakPolarHBondContact O-CB 3.45Å; Q1020-S1024 PolarHBondContact O-N 2.88Å; A1021-S1024 CarbonylContact O-C 3.58Å; A1021-S1024 WeakPolarHBondContact O-CA 3.45Å; A1021-S1024 WeakPolarHBondContact O-CB 3.49Å; A1021-S1024 PolarHBondContact O-N 3.02Å; Q1022-S1024 VanDerWaalsContact C-N 3.28Å; Q1022-S1024 PolarHBondContact O-N 2.96Å; S1024-K1027 CarbonylContact O-C 3.43Å; S1024-K1027 WeakPolarHBondContact O-CB 3.36Å; S1024-K1027 PolarHBondContact O-N 3.33Å; S1024-G1028 PolarHBondContact O-N 2.92Å
1025D67.3Low72.4Confident104 Ų10495.5 Ų95.556%0.55652%0.52SS*.Hα-helixtrans-68.7-43.9173.5-72.9-16.2000110.1A1021 Q1022 K1027 G1028 E1029A1021-D1025 PolarHBondContact O-N 3.17Å; Q1022-D1025 PolarHBondContact O-N 2.95Å; D1025-K1027 PolarHBondContact O-N 2.91Å; D1025-G1028 CarbonylContact O-C 3.48Å; D1025-G1028 VanDerWaalsContact O-CA 3.28Å; D1025-G1028 WeakPolarHBondContact O-CA 3.33Å; D1025-G1028 PolarHBondContact O-N 3.32Å; D1025-E1029 WeakPolarHBondContact O-CG 3.1Å; D1025-E1029 PolarHBondContact O-N 3.21Å
1026L63.6Low72Confident98 Ų9896.5 Ų96.551%0.51352%0.521SS..Hα-helixtrans-61.2-33170.4-72.9171.7000111.8Q1022 G1028 E1029 L1030Q1022-L1026 VanDerWaalsContact O-CB 3.31Å; Q1022-L1026 WeakPolarHBondContact O-CB 3.48Å; Q1022-L1026 VanDerWaalsContact O-CG 3.22Å; Q1022-L1026 WeakPolarHBondContact O-CG 3.32Å; Q1022-L1026 PolarHBondContact O-N 3.36Å; L1026-G1028 VanDerWaalsContact C-N 3.33Å; L1026-E1029 PolarHBondContact O-N 3.3Å; L1026-L1030 WeakPolarHBondContact O-CB 3.46Å; L1026-L1030 PolarHBondContact O-N 2.75Å
1027K64.5Low71.6Confident138 Ų13897.7 Ų97.760%0.652%0.524SS*.Hα-helixtrans-71.4-28170.8-173.3180-179.9-176.10111.8L1023 S1024 D1025 K1035L1023-K1027 WeakPolarHBondContact O-CB 3.46Å; L1023-K1027 PolarHBondContact O-N 3.24Å; S1024-K1027 CarbonylContact O-C 3.43Å; S1024-K1027 WeakPolarHBondContact O-CB 3.36Å; S1024-K1027 PolarHBondContact O-N 3.33Å; D1025-K1027 PolarHBondContact O-N 2.91Å; K1027-K1035 WeakPolarHBondContact O-CE 3.5Å; K1027-K1035 PolarHBondContact O-NZ 3.45Å
1028G63.8Low71.3Confident56 Ų5695.9 Ų95.958%0.57752%0.518SS*.Hα-helixtrans-73.8-38.3170.700000112.7S1024 D1025 L1026 L1030S1024-G1028 PolarHBondContact O-N 2.92Å; D1025-G1028 CarbonylContact O-C 3.48Å; D1025-G1028 VanDerWaalsContact O-CA 3.28Å; D1025-G1028 WeakPolarHBondContact O-CA 3.33Å; D1025-G1028 PolarHBondContact O-N 3.32Å; L1026-G1028 VanDerWaalsContact C-N 3.33Å; G1028-L1030 VanDerWaalsContact C-N 3.34Å
1029E66.7Low71.2Confident150 Ų150100.4 Ų100.470%0.70153%0.53SS*.Hα-helixtrans-80.3-15.2176.8-69.5-173.917300113D1025 L1026 T1031D1025-E1029 WeakPolarHBondContact O-CG 3.1Å; D1025-E1029 PolarHBondContact O-N 3.21Å; L1026-E1029 PolarHBondContact O-N 3.3Å; E1029-T1031 PolarHBondContact O-N 3.36Å
1030L58.9Low71.3Confident49 Ų49101.5 Ų101.526%0.25753%0.534SS..SBendtrans-60.8109.6171.3-143.479.8000107.8L1026 G1028 Q1034 K1035 I1038L1026-L1030 WeakPolarHBondContact O-CB 3.46Å; L1026-L1030 PolarHBondContact O-N 2.75Å; G1028-L1030 VanDerWaalsContact C-N 3.34Å; L1030-Q1034 HydrophobicContact CD1-CB 4.3Å; L1030-Q1034 VanDerWaalsContact CD1-OE1 3.23Å; L1030-Q1034 HydrophobicContact CD2-CB 3.81Å; L1030-Q1034 HydrophobicContact CG-CB 3.6Å; L1030-K1035 HydrophobicContact CB-CG 4.43Å; L1030-K1035 HydrophobicContact CD2-CG 3.98Å; L1030-I1038 HydrophobicContact CD2-CD1 3.92Å
1031T69.4Low71.6Confident94 Ų9498.9 Ų98.958%0.57753%0.532SS*.  trans-56.6146.4-176.4-9.40000108.7E1029 S1033 Q1034 K1035E1029-T1031 PolarHBondContact O-N 3.36Å; T1031-S1033 PolarHBondContact O-N 3.23Å; T1031-Q1034 PolarHBondContact O-N 3.48Å; T1031-K1035 PolarHBondContact O-N 2.82Å
1032E69.4Low71.9Confident151 Ų151101.5 Ų101.571%0.70654%0.539SS*.Hα-helixtrans-44.5-38.8-179-161.771.8-163.200112Q1034 K1035 E1036E1032-Q1034 PolarHBondContact O-N 3.37Å; E1032-K1035 PolarHBondContact O-N 3.36Å; E1032-E1036 WeakPolarHBondContact O-CB 3.45Å; E1032-E1036 PolarHBondContact O-N 2.76Å
1033S76.8Confident72.5Confident81 Ų8199.8 Ų99.857%0.56653%0.533SS*.Hα-helixtrans-58.1-38.4175.8-178.80000115.2T1031 E1037T1031-S1033 PolarHBondContact O-N 3.23Å; S1033-E1037 WeakPolarHBondContact O-CB 3.33Å; S1033-E1037 PolarHBondContact O-N 3.47Å
1034Q70.8Confident73.3Confident87 Ų87102 Ų10241%0.40754%0.535SS..Hα-helixtrans-80.2-33.2-178.5-74.8-179.3-36.700111.7L1030 T1031 E1032 E1037 I1038L1030-Q1034 HydrophobicContact CD1-CB 4.3Å; L1030-Q1034 VanDerWaalsContact CD1-OE1 3.23Å; L1030-Q1034 HydrophobicContact CD2-CB 3.81Å; L1030-Q1034 HydrophobicContact CG-CB 3.6Å; T1031-Q1034 PolarHBondContact O-N 3.48Å; E1032-Q1034 PolarHBondContact O-N 3.37Å; Q1034-E1037 PolarHBondContact O-N 2.9Å; Q1034-I1038 WeakPolarHBondContact O-CG1 3.31Å; Q1034-I1038 PolarHBondContact O-N 2.84Å; Q1034-I1038 VanDerWaalsContact O-N 3.12Å
1035K74.1Confident73.7Confident75 Ų75100.2 Ų100.233%0.32653%0.528SS..Hα-helixtrans-64.8-44.2170-80.2-179.4-179.4148.40111K1027 L1030 T1031 E1032 E1037 I1038 E1039K1027-K1035 WeakPolarHBondContact O-CE 3.5Å; K1027-K1035 PolarHBondContact O-NZ 3.45Å; L1030-K1035 HydrophobicContact CB-CG 4.43Å; L1030-K1035 HydrophobicContact CD2-CG 3.98Å; T1031-K1035 PolarHBondContact O-N 2.82Å; E1032-K1035 PolarHBondContact O-N 3.36Å; K1035-E1037 VanDerWaalsContact C-N 3.3Å; K1035-E1037 PolarHBondContact O-N 2.92Å; K1035-I1038 PolarHBondContact O-N 3.36Å; K1035-E1039 WeakPolarHBondContact O-CB 3.33Å; K1035-E1039 PolarHBondContact O-N 3.22Å
1036E76.6Confident74.6Confident113 Ų113101.1 Ų101.153%0.52853%0.527SS..Hα-helixtrans-60-40.3175.3-171.2179.3-177.900111.3E1032 E1039 N1040E1032-E1036 WeakPolarHBondContact O-CB 3.45Å; E1032-E1036 PolarHBondContact O-N 2.76Å; E1036-E1039 PolarHBondContact O-N 2.87Å; E1036-N1040 WeakPolarHBondContact O-CB 3.37Å; E1036-N1040 PolarHBondContact O-N 3.36Å; E1036-N1040 PolarHBondContact O-ND2 2.96Å; E1036-N1040 VanDerWaalsContact O-ND2 3.16Å
1037E76.9Confident75.6Confident135 Ų135102.5 Ų102.563%0.63153%0.528SS*.Hα-helixtrans-63.1-43175.7-168176.1-166.300112.7S1033 Q1034 K1035 A1041S1033-E1037 WeakPolarHBondContact O-CB 3.33Å; S1033-E1037 PolarHBondContact O-N 3.47Å; Q1034-E1037 PolarHBondContact O-N 2.9Å; K1035-E1037 VanDerWaalsContact C-N 3.3Å; K1035-E1037 PolarHBondContact O-N 2.92Å; E1037-A1041 WeakPolarHBondContact O-CB 3.46Å; E1037-A1041 PolarHBondContact O-N 3.37Å
1038I77.4Confident76.5Confident100 Ų10097.3 Ų97.351%0.51351%0.509SS..Hα-helixtrans-67.8-43.2177-66.4169.6000111L1030 Q1034 K1035 N1040 A1041 L1042L1030-I1038 HydrophobicContact CD2-CD1 3.92Å; Q1034-I1038 WeakPolarHBondContact O-CG1 3.31Å; Q1034-I1038 PolarHBondContact O-N 2.84Å; Q1034-I1038 VanDerWaalsContact O-N 3.12Å; K1035-I1038 PolarHBondContact O-N 3.36Å; I1038-N1040 VanDerWaalsContact C-N 3.34Å; I1038-A1041 PolarHBondContact O-N 2.92Å; I1038-L1042 WeakPolarHBondContact O-CB 3.33Å; I1038-L1042 PolarHBondContact O-N 2.95Å
1039E79.4Confident77.6Confident127 Ų127100 Ų10059%0.59351%0.509SS*.Hα-helixtrans-65.1-40.5177.9-172.5168.7-170.200111.3K1035 E1036 L1042 N1043K1035-E1039 WeakPolarHBondContact O-CB 3.33Å; K1035-E1039 PolarHBondContact O-N 3.22Å; E1036-E1039 PolarHBondContact O-N 2.87Å; E1039-L1042 PolarHBondContact O-N 2.66Å; E1039-N1043 WeakPolarHBondContact O-CB 3.37Å; E1039-N1043 PolarHBondContact O-N 3.22Å
1040N80.3Confident78.6Confident93 Ų9399.1 Ų99.150%0.49751%0.506SS..Hα-helixtrans-61.7-42.4172.4-74.9-24.6000111.6E1036 I1038 N1043 Y1044E1036-N1040 WeakPolarHBondContact O-CB 3.37Å; E1036-N1040 PolarHBondContact O-N 3.36Å; E1036-N1040 PolarHBondContact O-ND2 2.96Å; E1036-N1040 VanDerWaalsContact O-ND2 3.16Å; I1038-N1040 VanDerWaalsContact C-N 3.34Å; N1040-N1043 PolarHBondContact O-N 2.88Å; N1040-Y1044 WeakPolarHBondContact O-CB 3.32Å; N1040-Y1044 PolarHBondContact O-N 3.45Å
1041A80.8Confident79.8Confident62 Ų62101.3 Ų101.351%0.51251%0.514SS..Hα-helixtrans-65.1-39.3175.500000112.6E1037 I1038 Y1044 G1045E1037-A1041 WeakPolarHBondContact O-CB 3.46Å; E1037-A1041 PolarHBondContact O-N 3.37Å; I1038-A1041 PolarHBondContact O-N 2.92Å; A1041-Y1044 PolarHBondContact O-N 2.94Å; A1041-G1045 PolarHBondContact O-N 2.69Å
1042L83.6Confident80.5Confident104 Ų104101.1 Ų101.155%0.54551%0.509SS..Hα-helixtrans-69-42177.5-123.1169.5000111.8I1038 E1039 Y1044 G1045 K1046I1038-L1042 WeakPolarHBondContact O-CB 3.33Å; I1038-L1042 PolarHBondContact O-N 2.95Å; E1039-L1042 PolarHBondContact O-N 2.66Å; L1042-Y1044 VanDerWaalsContact C-N 3.35Å; L1042-G1045 PolarHBondContact O-N 3.24Å; L1042-K1046 WeakPolarHBondContact O-CG 3.44Å; L1042-K1046 PolarHBondContact O-N 3.45Å
1043N83.1Confident81.3Confident87 Ų87101.5 Ų101.547%0.46551%0.505SS..Hα-helixtrans-65.4-39.2173.1-97.4-5.5000111.6E1039 N1040 G1045 K1046 K1047E1039-N1043 WeakPolarHBondContact O-CB 3.37Å; E1039-N1043 PolarHBondContact O-N 3.22Å; N1040-N1043 PolarHBondContact O-N 2.88Å; N1043-G1045 VanDerWaalsContact C-N 3.34Å; N1043-K1046 PolarHBondContact O-N 2.86Å; N1043-K1047 WeakPolarHBondContact O-CB 3.5Å; N1043-K1047 PolarHBondContact O-N 3.39Å
1044Y82Confident81.8Confident165 Ų165100.9 Ų100.965%0.64750%0.499SS*.Hα-helixtrans-61.7-42.4172.6-171.3-95.4000111.3N1040 A1041 L1042 K1046 K1047 T1048N1040-Y1044 WeakPolarHBondContact O-CB 3.32Å; N1040-Y1044 PolarHBondContact O-N 3.45Å; A1041-Y1044 PolarHBondContact O-N 2.94Å; L1042-Y1044 VanDerWaalsContact C-N 3.35Å; Y1044-K1046 PolarHBondContact O-N 3.46Å; Y1044-K1047 PolarHBondContact O-N 3.32Å; Y1044-T1048 HydrophobicContact CD1-CG2 4Å; Y1044-T1048 HydrophobicContact CE1-CG2 3.67Å; Y1044-T1048 WeakPolarHBondContact O-CB 3.34Å; Y1044-T1048 VanDerWaalsContact O-CG2 3.28Å; Y1044-T1048 WeakPolarHBondContact O-CG2 3.42Å; Y1044-T1048 PolarHBondContact O-N 3.32Å; Y1044-T1048 PolarHBondContact O-OG1 3.47Å
1045G82.9Confident82.5Confident35 Ų3599.5 Ų99.536%0.36150%0.496SS..Hα-helixtrans-61.1-42173.700000113.6A1041 L1042 N1043 T1048 N1049A1041-G1045 PolarHBondContact O-N 2.69Å; L1042-G1045 PolarHBondContact O-N 3.24Å; N1043-G1045 VanDerWaalsContact C-N 3.34Å; G1045-T1048 WeakPolarHBondContact CA-OG1 3.34Å; G1045-T1048 PolarHBondContact O-OG1 3.41Å; G1045-N1049 WeakPolarHBondContact O-CB 3.37Å; G1045-N1049 PolarHBondContact O-N 2.96Å; G1045-N1049 VanDerWaalsContact O-N 3.1Å
1046K86.8Confident83.4Confident123 Ų123103.4 Ų103.454%0.53551%0.513SS..Hα-helixtrans-65.2-47174.9-73.2176.9-177.5173.10111.8L1042 N1043 Y1044 T1048 N1049 E1050L1042-K1046 WeakPolarHBondContact O-CG 3.44Å; L1042-K1046 PolarHBondContact O-N 3.45Å; N1043-K1046 PolarHBondContact O-N 2.86Å; Y1044-K1046 PolarHBondContact O-N 3.46Å; K1046-T1048 PolarHBondContact O-N 2.89Å; K1046-N1049 PolarHBondContact O-N 2.95Å; K1046-N1049 VanDerWaalsContact O-N 3.15Å; K1046-E1050 PolarHBondContact O-N 2.74Å
1047K84.6Confident84Confident127 Ų127102.4 Ų102.455%0.55251%0.51SS*.Hα-helixtrans-61.4-45.2180-167.3178.9178.9-179.10111.7N1043 Y1044 N1049 E1050 E1051N1043-K1047 WeakPolarHBondContact O-CB 3.5Å; N1043-K1047 PolarHBondContact O-N 3.39Å; Y1044-K1047 PolarHBondContact O-N 3.32Å; K1047-N1049 VanDerWaalsContact C-N 3.3Å; K1047-N1049 PolarHBondContact O-N 2.94Å; K1047-E1050 PolarHBondContact O-N 3.3Å; K1047-E1051 WeakPolarHBondContact CE-OE1 3.47Å; K1047-E1051 WeakPolarHBondContact O-CB 3.49Å; K1047-E1051 VanDerWaalsContact O-CG 3.27Å; K1047-E1051 WeakPolarHBondContact O-CG 3.14Å; K1047-E1051 PolarHBondContact O-N 3.4Å
1048T83.1Confident84.6Confident30 Ų30101.6 Ų101.618%0.18451%0.506CS..Hα-helixtrans-63.8-32.7175.351.30000112.9Y1044 G1045 K1046 L1052Y1044-T1048 HydrophobicContact CD1-CG2 4Å; Y1044-T1048 HydrophobicContact CE1-CG2 3.67Å; Y1044-T1048 WeakPolarHBondContact O-CB 3.34Å; Y1044-T1048 VanDerWaalsContact O-CG2 3.28Å; Y1044-T1048 WeakPolarHBondContact O-CG2 3.42Å; Y1044-T1048 PolarHBondContact O-N 3.32Å; Y1044-T1048 PolarHBondContact O-OG1 3.47Å; G1045-T1048 WeakPolarHBondContact CA-OG1 3.34Å; G1045-T1048 PolarHBondContact O-OG1 3.41Å; K1046-T1048 PolarHBondContact O-N 2.89Å; T1048-L1052 WeakPolarHBondContact O-CB 3.26Å; T1048-L1052 WeakPolarHBondContact O-CG 3.39Å; T1048-L1052 PolarHBondContact O-N 3.19Å
1049N87.2Confident85.1Confident111 Ų111102.7 Ų102.759%0.59451%0.513SS*.Hα-helixtrans-72.9-37.2175.4-169.259.5000112.7G1045 K1046 K1047 L1052 Y1053G1045-N1049 WeakPolarHBondContact O-CB 3.37Å; G1045-N1049 PolarHBondContact O-N 2.96Å; G1045-N1049 VanDerWaalsContact O-N 3.1Å; K1046-N1049 PolarHBondContact O-N 2.95Å; K1046-N1049 VanDerWaalsContact O-N 3.15Å; K1047-N1049 VanDerWaalsContact C-N 3.3Å; K1047-N1049 PolarHBondContact O-N 2.94Å; N1049-L1052 PolarHBondContact O-N 3.39Å; N1049-Y1053 PolarHBondContact O-N 2.87Å
1050E86Confident85.4Confident133 Ų13399.6 Ų99.662%0.62151%0.505SS*.Hα-helixtrans-64.6-42.1171.3-72.4177.8177.800111.3K1046 K1047 L1052 Y1053 T1054K1046-E1050 PolarHBondContact O-N 2.74Å; K1047-E1050 PolarHBondContact O-N 3.3Å; E1050-L1052 VanDerWaalsContact C-N 3.35Å; E1050-L1052 PolarHBondContact O-N 3.05Å; E1050-Y1053 WeakPolarHBondContact O-CB 3.41Å; E1050-Y1053 PolarHBondContact O-N 3.49Å; E1050-Y1053 VanDerWaalsContact O-N 3.15Å; E1050-T1054 PolarHBondContact O-N 2.85Å; E1050-T1054 PolarHBondContact O-OG1 2.91Å
1051E83.9Confident85.8Confident94 Ų9498.9 Ų98.944%0.43951%0.507SS..Hα-helixtrans-62.3-38.2173.6-72167.6-174.800112.2K1047 Y1053 T1054 T1055K1047-E1051 WeakPolarHBondContact CE-OE1 3.47Å; K1047-E1051 WeakPolarHBondContact O-CB 3.49Å; K1047-E1051 VanDerWaalsContact O-CG 3.27Å; K1047-E1051 WeakPolarHBondContact O-CG 3.14Å; K1047-E1051 PolarHBondContact O-N 3.4Å; E1051-Y1053 VanDerWaalsContact C-N 3.33Å; E1051-T1054 WeakPolarHBondContact CA-OG1 3.42Å; E1051-T1054 PolarHBondContact O-OG1 3.18Å; E1051-T1055 WeakPolarHBondContact O-CB 3.1Å; E1051-T1055 VanDerWaalsContact O-CG2 3.25Å; E1051-T1055 WeakPolarHBondContact O-CG2 3.24Å; E1051-T1055 PolarHBondContact O-N 3.47Å; E1051-T1055 PolarHBondContact O-OG1 3.25Å
1052L85.6Confident86.2Confident90 Ų90100.2 Ų100.247%0.47151%0.505SS..Hα-helixtrans-66.6-36173-82.4169.3000112.4T1048 N1049 E1050 T1055 K1056T1048-L1052 WeakPolarHBondContact O-CB 3.26Å; T1048-L1052 WeakPolarHBondContact O-CG 3.39Å; T1048-L1052 PolarHBondContact O-N 3.19Å; N1049-L1052 PolarHBondContact O-N 3.39Å; E1050-L1052 VanDerWaalsContact C-N 3.35Å; E1050-L1052 PolarHBondContact O-N 3.05Å; L1052-T1055 WeakPolarHBondContact CA-OG1 3.29Å; L1052-T1055 PolarHBondContact O-OG1 3.38Å; L1052-T1055 VanDerWaalsContact O-OG1 3.1Å; L1052-K1056 VanDerWaalsContact O-CB 3.26Å; L1052-K1056 WeakPolarHBondContact O-CB 3.34Å; L1052-K1056 PolarHBondContact O-N 2.89Å; L1052-K1056 VanDerWaalsContact O-N 3.08Å
1053Y85.8Confident86.6Confident159 Ų159101.7 Ų101.762%0.62451%0.508SS*.Hα-helixtrans-69-43.1176.8-174.8-99.9000111.5N1049 E1050 E1051 K1056 I1057N1049-Y1053 PolarHBondContact O-N 2.87Å; E1050-Y1053 WeakPolarHBondContact O-CB 3.41Å; E1050-Y1053 PolarHBondContact O-N 3.49Å; E1050-Y1053 VanDerWaalsContact O-N 3.15Å; E1051-Y1053 VanDerWaalsContact C-N 3.33Å; Y1053-K1056 PolarHBondContact O-N 3.4Å; Y1053-I1057 HydrophobicContact CD1-CD1 3.83Å; Y1053-I1057 HydrophobicContact CE1-CD1 3.4Å; Y1053-I1057 VanDerWaalsContact CE1-CD1 3.4Å; Y1053-I1057 WeakPolarHBondContact O-CG1 3.34Å; Y1053-I1057 PolarHBondContact O-N 2.85Å
1054T87Confident87Confident69 Ų69101.3 Ų101.342%0.42351%0.505SS..Hα-helixtrans-66.4-47.5176.450.40000111.9E1050 E1051 K1056 I1057 E1058E1050-T1054 PolarHBondContact O-N 2.85Å; E1050-T1054 PolarHBondContact O-OG1 2.91Å; E1051-T1054 WeakPolarHBondContact CA-OG1 3.42Å; E1051-T1054 PolarHBondContact O-OG1 3.18Å; T1054-K1056 VanDerWaalsContact C-N 3.27Å; T1054-K1056 PolarHBondContact O-N 3.26Å; T1054-I1057 WeakPolarHBondContact O-CB 3.48Å; T1054-I1057 PolarHBondContact O-N 2.81Å; T1054-E1058 WeakPolarHBondContact O-CG 3.23Å; T1054-E1058 PolarHBondContact O-N 3.21Å
1055T85.1Confident87.3Confident58 Ų5896.5 Ų96.536%0.35650%0.496SS..Hα-helixtrans-60.2-36.4177.250.40000112E1051 L1052 I1057 E1058 L1059E1051-T1055 WeakPolarHBondContact O-CB 3.1Å; E1051-T1055 VanDerWaalsContact O-CG2 3.25Å; E1051-T1055 WeakPolarHBondContact O-CG2 3.24Å; E1051-T1055 PolarHBondContact O-N 3.47Å; E1051-T1055 PolarHBondContact O-OG1 3.25Å; L1052-T1055 WeakPolarHBondContact CA-OG1 3.29Å; L1052-T1055 PolarHBondContact O-OG1 3.38Å; L1052-T1055 VanDerWaalsContact O-OG1 3.1Å; T1055-I1057 PolarHBondContact O-N 3.46Å; T1055-E1058 PolarHBondContact O-N 2.9Å; T1055-L1059 WeakPolarHBondContact O-CB 3.48Å; T1055-L1059 PolarHBondContact O-N 2.9Å
1056K93.1Very high87.6Confident157 Ų157100.5 Ų100.568%0.68351%0.508SS*.Hα-helixtrans-63.4-38.4174.2-174.7177-177.9178.80112.9L1052 Y1053 T1054 S1060L1052-K1056 VanDerWaalsContact O-CB 3.26Å; L1052-K1056 WeakPolarHBondContact O-CB 3.34Å; L1052-K1056 PolarHBondContact O-N 2.89Å; L1052-K1056 VanDerWaalsContact O-N 3.08Å; Y1053-K1056 PolarHBondContact O-N 3.4Å; T1054-K1056 VanDerWaalsContact C-N 3.27Å; T1054-K1056 PolarHBondContact O-N 3.26Å; K1056-S1060 PolarHBondContact O-N 3.25Å
1057I89.2Confident87.8Confident91 Ų9199.9 Ų99.947%0.46751%0.507SS..Hα-helixtrans-67-44.2175.2-69.3168.1000110.2Y1053 T1054 T1055 L1059 S1060 S1061Y1053-I1057 HydrophobicContact CD1-CD1 3.83Å; Y1053-I1057 HydrophobicContact CE1-CD1 3.4Å; Y1053-I1057 VanDerWaalsContact CE1-CD1 3.4Å; Y1053-I1057 WeakPolarHBondContact O-CG1 3.34Å; Y1053-I1057 PolarHBondContact O-N 2.85Å; T1054-I1057 WeakPolarHBondContact O-CB 3.48Å; T1054-I1057 PolarHBondContact O-N 2.81Å; T1055-I1057 PolarHBondContact O-N 3.46Å; I1057-L1059 VanDerWaalsContact C-N 3.33Å; I1057-L1059 PolarHBondContact O-N 2.94Å; I1057-S1060 WeakPolarHBondContact O-CB 3.49Å; I1057-S1060 PolarHBondContact O-N 3.45Å; I1057-S1061 PolarHBondContact O-N 3.21Å
1058E89Confident88.1Confident118 Ų11898.5 Ų98.555%0.55150%0.503SS*.Hα-helixtrans-61.5-41176.5-69.4173.6176.500111.9T1054 T1055 S1060 S1061 L1062T1054-E1058 WeakPolarHBondContact O-CG 3.23Å; T1054-E1058 PolarHBondContact O-N 3.21Å; T1055-E1058 PolarHBondContact O-N 2.9Å; E1058-S1060 VanDerWaalsContact C-N 3.33Å; E1058-S1060 PolarHBondContact O-N 3.47Å; E1058-S1061 WeakPolarHBondContact O-CB 3.37Å; E1058-S1061 PolarHBondContact O-N 2.99Å; E1058-L1062 WeakPolarHBondContact O-CB 3.42Å; E1058-L1062 PolarHBondContact O-N 3.36Å
1059L89Confident88.4Confident123 Ų123102.3 Ų102.364%0.64452%0.52SS*.Hα-helixtrans-64.9-37.3176.2-130.7153.2000111.9T1055 I1057 K1063T1055-L1059 WeakPolarHBondContact O-CB 3.48Å; T1055-L1059 PolarHBondContact O-N 2.9Å; I1057-L1059 VanDerWaalsContact C-N 3.33Å; I1057-L1059 PolarHBondContact O-N 2.94Å; L1059-K1063 WeakPolarHBondContact O-CB 3.33Å; L1059-K1063 PolarHBondContact O-N 3.47Å
1060S86.2Confident88.5Confident63 Ų63102 Ų10244%0.44152%0.518SS..Hα-helixtrans-65.1-43.5172.7-160.90000111.4K1056 I1057 E1058 K1063 D1064K1056-S1060 PolarHBondContact O-N 3.25Å; I1057-S1060 WeakPolarHBondContact O-CB 3.49Å; I1057-S1060 PolarHBondContact O-N 3.45Å; E1058-S1060 VanDerWaalsContact C-N 3.33Å; E1058-S1060 PolarHBondContact O-N 3.47Å; S1060-K1063 WeakPolarHBondContact O-CB 3.5Å; S1060-K1063 PolarHBondContact O-N 3.36Å; S1060-D1064 PolarHBondContact O-N 2.88Å
1061S88.8Confident88.8Confident77 Ų77101 Ų10154%0.53851%0.514SS..Hα-helixtrans-61.9-43.3176.2178.30000112.3I1057 E1058 D1064 S1065I1057-S1061 PolarHBondContact O-N 3.21Å; E1058-S1061 WeakPolarHBondContact O-CB 3.37Å; E1058-S1061 PolarHBondContact O-N 2.99Å; S1061-D1064 PolarHBondContact O-N 2.86Å; S1061-S1065 PolarHBondContact O-N 2.85Å
1062L88.3Confident89Confident90 Ų90103.7 Ų103.747%0.47152%0.52SS..Hα-helixtrans-65.4-40.1177-175.562000111.6E1058 S1065 L1066E1058-L1062 WeakPolarHBondContact O-CB 3.42Å; E1058-L1062 PolarHBondContact O-N 3.36Å; L1062-S1065 PolarHBondContact O-N 3.26Å; L1062-L1066 PolarHBondContact O-N 3.47Å
1063K92.1Very high88.9Confident136 Ų136104.5 Ų104.559%0.59152%0.524SS*.Hα-helixtrans-59-47174-176.8-170.1173.4-164.80111.3L1059 S1060 S1065 L1066 E1067L1059-K1063 WeakPolarHBondContact O-CB 3.33Å; L1059-K1063 PolarHBondContact O-N 3.47Å; S1060-K1063 WeakPolarHBondContact O-CB 3.5Å; S1060-K1063 PolarHBondContact O-N 3.36Å; K1063-S1065 VanDerWaalsContact C-N 3.29Å; K1063-S1065 PolarHBondContact O-N 3.07Å; K1063-L1066 PolarHBondContact O-N 3.03Å; K1063-E1067 PolarHBondContact O-N 2.96Å
1064D90.8Very high89.1Confident78 Ų78102.6 Ų102.642%0.41752%0.521SS..Hα-helixtrans-64-35.9178.6-62.5-17.7000111.4S1060 S1061 E1067 Q1068S1060-D1064 PolarHBondContact O-N 2.88Å; S1061-D1064 PolarHBondContact O-N 2.86Å; D1064-E1067 PolarHBondContact O-N 3.29Å; D1064-Q1068 WeakPolarHBondContact O-CG 3.46Å; D1064-Q1068 PolarHBondContact O-N 2.9Å
1065S89.2Confident89.3Confident64 Ų64104.7 Ų104.745%0.44853%0.526SS..Hα-helixtrans-67.6-39.8174.8-167.40000112.6S1061 L1062 K1063 E1067 Q1068 M1069S1061-S1065 PolarHBondContact O-N 2.85Å; L1062-S1065 PolarHBondContact O-N 3.26Å; K1063-S1065 VanDerWaalsContact C-N 3.29Å; K1063-S1065 PolarHBondContact O-N 3.07Å; S1065-E1067 VanDerWaalsContact C-N 3.34Å; S1065-Q1068 PolarHBondContact O-N 3.31Å; S1065-M1069 PolarHBondContact O-N 3.48Å
1066L89.1Confident89.4Confident119 Ų119107.5 Ų107.562%0.62353%0.533SS*.Hα-helixtrans-65.5-39.4176-156.780.2000111.2L1062 K1063 M1069 N1070L1062-L1066 PolarHBondContact O-N 3.47Å; K1063-L1066 PolarHBondContact O-N 3.03Å; L1066-M1069 PolarHBondContact O-N 2.93Å; L1066-N1070 WeakPolarHBondContact O-CB 3.33Å; L1066-N1070 PolarHBondContact O-N 3.49Å
1067E91.4Very high89.4Confident110 Ų110105.9 Ų105.951%0.51453%0.528SS..Hα-helixtrans-64.1-44.8175.7-167.1154.4-159.300111.2K1063 D1064 S1065 M1069 N1070 E1071K1063-E1067 PolarHBondContact O-N 2.96Å; D1064-E1067 PolarHBondContact O-N 3.29Å; S1065-E1067 VanDerWaalsContact C-N 3.34Å; E1067-M1069 VanDerWaalsContact C-N 3.34Å; E1067-M1069 PolarHBondContact O-N 3.35Å; E1067-N1070 WeakPolarHBondContact O-CB 3.46Å; E1067-N1070 PolarHBondContact O-N 3.44Å; E1067-E1071 PolarHBondContact O-N 3.37Å
1068Q89.4Confident89.4Confident98 Ų98105.3 Ų105.346%0.45852%0.523SS..Hα-helixtrans-62.4-36.6172.6-74.6177.734.800113.5D1064 S1065 N1070 R1072D1064-Q1068 WeakPolarHBondContact O-CG 3.46Å; D1064-Q1068 PolarHBondContact O-N 2.9Å; S1065-Q1068 PolarHBondContact O-N 3.31Å; Q1068-N1070 VanDerWaalsContact C-N 3.34Å; Q1068-R1072 WeakPolarHBondContact O-CG 3.45Å; Q1068-R1072 PolarHBondContact O-N 2.65Å; Q1068-R1072 VanDerWaalsContact O-N 3.12Å
1069M89.6Confident89.4Confident111 Ų111103.9 Ų103.955%0.54752%0.516SS..Hα-helixtrans-67-40.2175.7-173.2-174.1-73.600110.8S1065 L1066 E1067 R1072 L1073S1065-M1069 PolarHBondContact O-N 3.48Å; L1066-M1069 PolarHBondContact O-N 2.93Å; E1067-M1069 VanDerWaalsContact C-N 3.34Å; E1067-M1069 PolarHBondContact O-N 3.35Å; M1069-R1072 PolarHBondContact O-N 2.89Å; M1069-L1073 PolarHBondContact O-N 3.31Å
1070N90Very high89.3Confident104 Ų104101.7 Ų101.756%0.55651%0.505SS*.Hα-helixtrans-66-39.4178-161.846.4000111.8L1066 E1067 Q1068 L1073 Q1074L1066-N1070 WeakPolarHBondContact O-CB 3.33Å; L1066-N1070 PolarHBondContact O-N 3.49Å; E1067-N1070 WeakPolarHBondContact O-CB 3.46Å; E1067-N1070 PolarHBondContact O-N 3.44Å; Q1068-N1070 VanDerWaalsContact C-N 3.34Å; N1070-L1073 PolarHBondContact O-N 2.93Å; N1070-Q1074 PolarHBondContact O-N 3.33Å
1071E91.4Very high89.5Confident113 Ų113103.6 Ų103.653%0.52851%0.505SS..Hα-helixtrans-60-46.6171.4-74.3-177.6163.700111.8E1067 L1073 Q1074 E1075E1067-E1071 PolarHBondContact O-N 3.37Å; E1071-L1073 VanDerWaalsContact C-N 3.32Å; E1071-L1073 PolarHBondContact O-N 2.96Å; E1071-Q1074 PolarHBondContact O-N 3.04Å; E1071-E1075 WeakPolarHBondContact O-CG 3.36Å; E1071-E1075 PolarHBondContact O-N 2.93Å
1072R88.6Confident89.6Confident150 Ų150106.4 Ų106.457%0.56651%0.507SS*.Hα-helixtrans-62-37.5176.2-75.4-179.6179.6113.40112.7Q1068 M1069 E1075 K1076Q1068-R1072 WeakPolarHBondContact O-CG 3.45Å; Q1068-R1072 PolarHBondContact O-N 2.65Å; Q1068-R1072 VanDerWaalsContact O-N 3.12Å; M1069-R1072 PolarHBondContact O-N 2.89Å; R1072-E1075 PolarHBondContact O-N 3.26Å; R1072-K1076 VanDerWaalsContact O-CG 3.24Å; R1072-K1076 WeakPolarHBondContact O-CG 3.5Å; R1072-K1076 PolarHBondContact O-N 2.92Å
1073L84.2Confident89.7Confident107 Ų107107.3 Ų107.356%0.5651%0.512SS*.Hα-helixtrans-63.7-44.8174.4-85.9166.8000111M1069 N1070 E1071 E1075 K1076 E1077M1069-L1073 PolarHBondContact O-N 3.31Å; N1070-L1073 PolarHBondContact O-N 2.93Å; E1071-L1073 VanDerWaalsContact C-N 3.32Å; E1071-L1073 PolarHBondContact O-N 2.96Å; L1073-E1075 PolarHBondContact O-N 3.34Å; L1073-K1076 PolarHBondContact O-N 3.2Å; L1073-E1077 WeakPolarHBondContact O-CB 3.22Å; L1073-E1077 PolarHBondContact O-N 2.96Å
1074Q90.3Very high89.7Confident118 Ų118109 Ų10955%0.55152%0.515SS*.Hα-helixtrans-63.8-39.8177.7-164176.10.400111.9N1070 E1071 K1076 E1077 E1078N1070-Q1074 PolarHBondContact O-N 3.33Å; E1071-Q1074 PolarHBondContact O-N 3.04Å; Q1074-K1076 PolarHBondContact O-N 3.47Å; Q1074-E1077 PolarHBondContact O-N 3.32Å; Q1074-E1078 WeakPolarHBondContact O-CB 3.33Å; Q1074-E1078 WeakPolarHBondContact O-CG 3.29Å; Q1074-E1078 PolarHBondContact O-N 2.76Å
1075E90.4Very high89.7Confident114 Ų114110.1 Ų110.153%0.53352%0.52SS..Hα-helixtrans-60.9-42.5172.4-74-179.3172.400112.3E1071 R1072 L1073 E1078 Q1079E1071-E1075 WeakPolarHBondContact O-CG 3.36Å; E1071-E1075 PolarHBondContact O-N 2.93Å; R1072-E1075 PolarHBondContact O-N 3.26Å; L1073-E1075 PolarHBondContact O-N 3.34Å; E1075-E1078 PolarHBondContact O-N 2.93Å; E1075-Q1079 WeakPolarHBondContact O-CB 3.41Å; E1075-Q1079 VanDerWaalsContact O-CG 3.3Å; E1075-Q1079 WeakPolarHBondContact O-CG 3.42Å; E1075-Q1079 PolarHBondContact O-N 3.3Å
1076K88Confident89.6Confident117 Ų117110.1 Ų110.151%0.50952%0.517SS..Hα-helixtrans-67.5-37.9177-69.8-70.7165.4-163.60111.7R1072 L1073 Q1074 Q1079 I1080R1072-K1076 VanDerWaalsContact O-CG 3.24Å; R1072-K1076 WeakPolarHBondContact O-CG 3.5Å; R1072-K1076 PolarHBondContact O-N 2.92Å; L1073-K1076 PolarHBondContact O-N 3.2Å; Q1074-K1076 PolarHBondContact O-N 3.47Å; K1076-Q1079 PolarHBondContact O-N 2.95Å; K1076-I1080 VanDerWaalsContact O-CG1 3.27Å; K1076-I1080 WeakPolarHBondContact O-CG1 3.32Å; K1076-I1080 PolarHBondContact O-N 2.92Å
1077E91.6Very high89.5Confident122 Ų122109.6 Ų109.657%0.5751%0.514SS*.Hα-helixtrans-66.8-40.2176.9-148.6166.2-155.600111.6L1073 Q1074 I1080 K1081L1073-E1077 WeakPolarHBondContact O-CB 3.22Å; L1073-E1077 PolarHBondContact O-N 2.96Å; Q1074-E1077 PolarHBondContact O-N 3.32Å; E1077-I1080 PolarHBondContact O-N 3.43Å; E1077-K1081 WeakPolarHBondContact O-CG 3.21Å; E1077-K1081 PolarHBondContact O-N 2.86Å
1078E89.6Confident89.5Confident79 Ų79109.4 Ų109.437%0.36951%0.513SS..Hα-helixtrans-65.8-39.9171.2-77.6-59.9135.200112.6Q1074 E1075 I1080 K1081 K1082Q1074-E1078 WeakPolarHBondContact O-CB 3.33Å; Q1074-E1078 WeakPolarHBondContact O-CG 3.29Å; Q1074-E1078 PolarHBondContact O-N 2.76Å; E1075-E1078 PolarHBondContact O-N 2.93Å; E1078-I1080 VanDerWaalsContact C-N 3.33Å; E1078-I1080 PolarHBondContact O-N 2.89Å; E1078-K1081 PolarHBondContact O-N 3.27Å; E1078-K1081 IonicContact OE1-NZ 3.08Å; E1078-K1081 PolarHBondContact OE1-NZ 2.81Å; E1078-K1082 WeakPolarHBondContact O-CG 3.28Å; E1078-K1082 PolarHBondContact O-N 3.34Å
1079Q88.8Confident89.5Confident88 Ų88109.9 Ų109.941%0.41152%0.515SS..Hα-helixtrans-60.6-42.7172.4-76.8170.819.900111.5E1075 K1076 K1082 L1083E1075-Q1079 WeakPolarHBondContact O-CB 3.41Å; E1075-Q1079 VanDerWaalsContact O-CG 3.3Å; E1075-Q1079 WeakPolarHBondContact O-CG 3.42Å; E1075-Q1079 PolarHBondContact O-N 3.3Å; K1076-Q1079 PolarHBondContact O-N 2.95Å; Q1079-K1082 PolarHBondContact O-N 3.23Å; Q1079-L1083 WeakPolarHBondContact O-CG 3.18Å; Q1079-L1083 PolarHBondContact O-N 3.34Å
1080I86.6Confident89.4Confident78 Ų78110 Ų11040%0.452%0.518SS..Hα-helixtrans-65.5-40.1176.8-71.3166.7000111.2K1076 E1077 E1078 L1083 R1084K1076-I1080 VanDerWaalsContact O-CG1 3.27Å; K1076-I1080 WeakPolarHBondContact O-CG1 3.32Å; K1076-I1080 PolarHBondContact O-N 2.92Å; E1077-I1080 PolarHBondContact O-N 3.43Å; E1078-I1080 VanDerWaalsContact C-N 3.33Å; E1078-I1080 PolarHBondContact O-N 2.89Å; I1080-L1083 PolarHBondContact O-N 2.89Å; I1080-R1084 WeakPolarHBondContact O-CG 3.32Å; I1080-R1084 PolarHBondContact O-N 3.38Å
1081K91.3Very high89.4Confident102 Ų102108.5 Ų108.544%0.44351%0.512SS..Hα-helixtrans-61.6-45.9174-73.7177.2-164.3165.80111.5E1077 E1078 L1083 R1084 I1085E1077-K1081 WeakPolarHBondContact O-CG 3.21Å; E1077-K1081 PolarHBondContact O-N 2.86Å; E1078-K1081 PolarHBondContact O-N 3.27Å; E1078-K1081 IonicContact OE1-NZ 3.08Å; E1078-K1081 PolarHBondContact OE1-NZ 2.81Å; K1081-L1083 PolarHBondContact O-N 2.94Å; K1081-R1084 PolarHBondContact O-N 2.88Å; K1081-I1085 WeakPolarHBondContact O-CG1 3.24Å; K1081-I1085 PolarHBondContact O-N 3.45Å
1082K91.3Very high89.5Confident136 Ų136107 Ų10759%0.59151%0.508SS*.Hα-helixtrans-58.4-48.3175.6-71.9175.6-176.7-178.10111.5E1078 Q1079 R1084 I1085 T1086E1078-K1082 WeakPolarHBondContact O-CG 3.28Å; E1078-K1082 PolarHBondContact O-N 3.34Å; Q1079-K1082 PolarHBondContact O-N 3.23Å; K1082-R1084 VanDerWaalsContact C-N 3.32Å; K1082-R1084 PolarHBondContact O-N 2.84Å; K1082-I1085 PolarHBondContact O-N 2.9Å; K1082-I1085 VanDerWaalsContact O-N 3.15Å; K1082-T1086 PolarHBondContact O-N 3.44Å; K1082-T1086 PolarHBondContact O-OG1 3.47Å; K1082-T1086 VanDerWaalsContact O-OG1 3.06Å
1083L89.4Confident89.5Confident109 Ų109102.5 Ų102.557%0.57150%0.499SS*.Hα-helixtrans-60.5-38.9177.2-73.2170.2000112.6Q1079 I1080 K1081 T1086 I1087Q1079-L1083 WeakPolarHBondContact O-CG 3.18Å; Q1079-L1083 PolarHBondContact O-N 3.34Å; I1080-L1083 PolarHBondContact O-N 2.89Å; K1081-L1083 PolarHBondContact O-N 2.94Å; L1083-T1086 PolarHBondContact O-N 2.92Å; L1083-I1087 WeakPolarHBondContact O-CB 3.33Å; L1083-I1087 VanDerWaalsContact O-CG1 3.26Å; L1083-I1087 WeakPolarHBondContact O-CG1 3.38Å; L1083-I1087 PolarHBondContact O-N 2.81Å
1084R92.1Very high89.8Confident173 Ų173103.7 Ų103.765%0.65350%0.5SS*.Hα-helixtrans-62.6-41.7174.5-79.4-174.4-129.6-100.83.8112.4I1080 K1081 K1082 I1087 Q1088I1080-R1084 WeakPolarHBondContact O-CG 3.32Å; I1080-R1084 PolarHBondContact O-N 3.38Å; K1081-R1084 PolarHBondContact O-N 2.88Å; K1082-R1084 VanDerWaalsContact C-N 3.32Å; K1082-R1084 PolarHBondContact O-N 2.84Å; R1084-I1087 PolarHBondContact O-N 3.48Å; R1084-Q1088 WeakPolarHBondContact O-CB 3.46Å; R1084-Q1088 PolarHBondContact O-N 3.22Å
1085I90.5Very high89.9Confident100 Ų100103.6 Ų103.651%0.51350%0.499SS..Hα-helixtrans-63.1-47.7177-66165.7000109.8K1081 K1082 I1087 Q1088 E1089K1081-I1085 WeakPolarHBondContact O-CG1 3.24Å; K1081-I1085 PolarHBondContact O-N 3.45Å; K1082-I1085 PolarHBondContact O-N 2.9Å; K1082-I1085 VanDerWaalsContact O-N 3.15Å; I1085-I1087 VanDerWaalsContact C-N 3.33Å; I1085-I1087 PolarHBondContact O-N 3.33Å; I1085-Q1088 WeakPolarHBondContact O-CA 3.43Å; I1085-Q1088 WeakPolarHBondContact O-CB 3.5Å; I1085-Q1088 PolarHBondContact O-N 3.29Å; I1085-E1089 HydrophobicContact CG2-CG 4.45Å; I1085-E1089 WeakPolarHBondContact O-CG 3.23Å; I1085-E1089 PolarHBondContact O-N 3.48Å
1086T87.2Confident89.9Confident65 Ų65103.5 Ų103.540%0.39950%0.499SS..Hα-helixtrans-61.2-39.8177.7-49.20000112.4K1082 L1083 Q1088 E1089 L1090K1082-T1086 PolarHBondContact O-N 3.44Å; K1082-T1086 PolarHBondContact O-OG1 3.47Å; K1082-T1086 VanDerWaalsContact O-OG1 3.06Å; L1083-T1086 PolarHBondContact O-N 2.92Å; T1086-Q1088 VanDerWaalsContact C-N 3.34Å; T1086-E1089 PolarHBondContact O-N 2.88Å; T1086-L1090 HydrophobicContact CG2-CD1 4.32Å; T1086-L1090 WeakPolarHBondContact O-CB 3.41Å; T1086-L1090 WeakPolarHBondContact O-CG 3.49Å; T1086-L1090 PolarHBondContact O-N 3.27Å
1087I87.8Confident90Very high107 Ų107104.8 Ų104.855%0.54950%0.502SS..Hα-helixtrans-63.3-41.3174-70.8166.6000110.7L1083 R1084 I1085 L1090 T1091L1083-I1087 WeakPolarHBondContact O-CB 3.33Å; L1083-I1087 VanDerWaalsContact O-CG1 3.26Å; L1083-I1087 WeakPolarHBondContact O-CG1 3.38Å; L1083-I1087 PolarHBondContact O-N 2.81Å; R1084-I1087 PolarHBondContact O-N 3.48Å; I1085-I1087 VanDerWaalsContact C-N 3.33Å; I1085-I1087 PolarHBondContact O-N 3.33Å; I1087-L1090 PolarHBondContact O-N 2.97Å; I1087-T1091 WeakPolarHBondContact O-CB 3.48Å; I1087-T1091 PolarHBondContact O-N 3.3Å; I1087-T1091 PolarHBondContact O-OG1 3.46Å
1088Q91.1Very high90Very high106 Ų106103.7 Ų103.750%0.49550%0.496SS..Hα-helixtrans-64-42.7177.2-173.862.658.400111.8R1084 I1085 T1086 T1091 N1092R1084-Q1088 WeakPolarHBondContact O-CB 3.46Å; R1084-Q1088 PolarHBondContact O-N 3.22Å; I1085-Q1088 WeakPolarHBondContact O-CA 3.43Å; I1085-Q1088 WeakPolarHBondContact O-CB 3.5Å; I1085-Q1088 PolarHBondContact O-N 3.29Å; T1086-Q1088 VanDerWaalsContact C-N 3.34Å; Q1088-T1091 PolarHBondContact O-N 3.44Å; Q1088-N1092 PolarHBondContact NE2-OD1 3.07Å; Q1088-N1092 PolarHBondContact O-N 2.84Å; Q1088-N1092 PolarHBondContact O-OD1 2.93Å
1089E88.8Confident89.9Confident108 Ų108102.9 Ų102.951%0.50550%0.499SS..Hα-helixtrans-63-43.4176.3-71.5168.1170.800112.3I1085 T1086 T1091 N1092 S1093I1085-E1089 HydrophobicContact CG2-CG 4.45Å; I1085-E1089 WeakPolarHBondContact O-CG 3.23Å; I1085-E1089 PolarHBondContact O-N 3.48Å; T1086-E1089 PolarHBondContact O-N 2.88Å; E1089-T1091 VanDerWaalsContact C-N 3.31Å; E1089-T1091 PolarHBondContact O-N 3.45Å; E1089-N1092 PolarHBondContact O-N 3.36Å; E1089-S1093 WeakPolarHBondContact O-CB 3.24Å; E1089-S1093 PolarHBondContact O-N 3.3Å; E1089-S1093 PolarHBondContact O-OG 2.93Å
1090L89Confident90Very high114 Ų114104 Ų10460%0.59750%0.502SS*.Hα-helixtrans-63.8-37.9174.3-76.2168.6000111.7T1086 I1087 S1093 K1094T1086-L1090 HydrophobicContact CG2-CD1 4.32Å; T1086-L1090 WeakPolarHBondContact O-CB 3.41Å; T1086-L1090 WeakPolarHBondContact O-CG 3.49Å; T1086-L1090 PolarHBondContact O-N 3.27Å; I1087-L1090 PolarHBondContact O-N 2.97Å; L1090-S1093 PolarHBondContact O-N 3.5Å; L1090-K1094 VanDerWaalsContact O-CB 3.31Å; L1090-K1094 WeakPolarHBondContact O-CB 3.34Å; L1090-K1094 PolarHBondContact O-N 3.37Å
1091T90.5Very high90Very high73 Ų73105 Ų10545%0.44851%0.508SS..Hα-helixtrans-67.3-41177.1-52.20000111.2I1087 Q1088 E1089 K1094 H1095I1087-T1091 WeakPolarHBondContact O-CB 3.48Å; I1087-T1091 PolarHBondContact O-N 3.3Å; I1087-T1091 PolarHBondContact O-OG1 3.46Å; Q1088-T1091 PolarHBondContact O-N 3.44Å; E1089-T1091 VanDerWaalsContact C-N 3.31Å; E1089-T1091 PolarHBondContact O-N 3.45Å; T1091-K1094 PolarHBondContact O-N 3.33Å; T1091-H1095 PolarHBondContact O-N 3.37Å
1092N92.3Very high89.9Confident82 Ų82106.7 Ų106.744%0.43952%0.515SS..Hα-helixtrans-64.6-45.7174.8-66.5-7.4000111.2Q1088 E1089 K1094 H1095 E1096Q1088-N1092 PolarHBondContact NE2-OD1 3.07Å; Q1088-N1092 PolarHBondContact O-N 2.84Å; Q1088-N1092 PolarHBondContact O-OD1 2.93Å; E1089-N1092 PolarHBondContact O-N 3.36Å; N1092-K1094 PolarHBondContact O-N 3.16Å; N1092-H1095 WeakPolarHBondContact O-CB 3.39Å; N1092-H1095 PolarHBondContact O-N 2.98Å; N1092-H1095 VanDerWaalsContact O-N 3.15Å; N1092-E1096 PolarHBondContact O-N 2.89Å
1093S88.7Confident89.8Confident54 Ų54106.1 Ų106.138%0.37851%0.514SS..Hα-helixtrans-61-44.3177.2-600000111.4E1089 L1090 H1095 E1096 Y1097E1089-S1093 WeakPolarHBondContact O-CB 3.24Å; E1089-S1093 PolarHBondContact O-N 3.3Å; E1089-S1093 PolarHBondContact O-OG 2.93Å; L1090-S1093 PolarHBondContact O-N 3.5Å; S1093-H1095 VanDerWaalsContact C-N 3.31Å; S1093-H1095 PolarHBondContact O-N 2.92Å; S1093-E1096 PolarHBondContact O-N 3.16Å; S1093-Y1097 WeakPolarHBondContact O-CD2 3.37Å; S1093-Y1097 PolarHBondContact O-N 2.77Å
1094K91.3Very high89.7Confident133 Ų133106.7 Ų106.758%0.57852%0.517SS*.Hα-helixtrans-56.3-46173.7-179-174171.3-170.40111.2L1090 T1091 N1092 E1096 Y1097 E1098L1090-K1094 VanDerWaalsContact O-CB 3.31Å; L1090-K1094 WeakPolarHBondContact O-CB 3.34Å; L1090-K1094 PolarHBondContact O-N 3.37Å; T1091-K1094 PolarHBondContact O-N 3.33Å; N1092-K1094 PolarHBondContact O-N 3.16Å; K1094-E1096 PolarHBondContact O-N 2.93Å; K1094-Y1097 PolarHBondContact O-N 2.89Å; K1094-E1098 WeakPolarHBondContact CE-OE1 3.47Å; K1094-E1098 IonicContact NZ-OE1 2.7Å; K1094-E1098 WeakPolarHBondContact O-CG 3.42Å; K1094-E1098 PolarHBondContact O-N 3.42Å
1095H92Very high89.3Confident115 Ų115104.1 Ų104.153%0.53251%0.512SS..Hα-helixtrans-64.4-37.8178.5-174.959.7000113T1091 N1092 S1093 E1098 C1099T1091-H1095 PolarHBondContact O-N 3.37Å; N1092-H1095 WeakPolarHBondContact O-CB 3.39Å; N1092-H1095 PolarHBondContact O-N 2.98Å; N1092-H1095 VanDerWaalsContact O-N 3.15Å; S1093-H1095 VanDerWaalsContact C-N 3.31Å; S1093-H1095 PolarHBondContact O-N 2.92Å; H1095-E1098 PolarHBondContact O-N 2.99Å; H1095-C1099 WeakPolarHBondContact O-CB 3.23Å; H1095-C1099 PolarHBondContact O-N 3.29Å; H1095-C1099 PolarHBondContact O-SG 2.88Å; H1095-C1099 VanDerWaalsContact O-SG 3.41Å
1096E89.8Confident89.2Confident112 Ų112103.3 Ų103.352%0.52351%0.509SS..Hα-helixtrans-63.1-42173.7-73.3-170.3-179.700112.2N1092 S1093 K1094 C1099 K1100N1092-E1096 PolarHBondContact O-N 2.89Å; S1093-E1096 PolarHBondContact O-N 3.16Å; K1094-E1096 PolarHBondContact O-N 2.93Å; E1096-C1099 PolarHBondContact O-N 3.42Å; E1096-K1100 WeakPolarHBondContact O-CG 3.34Å; E1096-K1100 PolarHBondContact O-N 3.43Å
1097Y89.9Confident89.2Confident145 Ų145102.8 Ų102.857%0.56951%0.506SS*.Hα-helixtrans-67.8-41176.3-73.4-64000111.9S1093 K1094 C1099 K1100 I1101S1093-Y1097 WeakPolarHBondContact O-CD2 3.37Å; S1093-Y1097 PolarHBondContact O-N 2.77Å; K1094-Y1097 PolarHBondContact O-N 2.89Å; Y1097-C1099 VanDerWaalsContact C-N 3.31Å; Y1097-C1099 PolarHBondContact O-N 3.03Å; Y1097-K1100 PolarHBondContact O-N 3.32Å; Y1097-I1101 WeakPolarHBondContact O-CB 3.46Å; Y1097-I1101 VanDerWaalsContact O-CG1 3.26Å; Y1097-I1101 WeakPolarHBondContact O-CG1 3.5Å; Y1097-I1101 PolarHBondContact O-N 3.01Å
1098E91.4Very high88.9Confident98 Ų98101.6 Ų101.646%0.45850%0.5SS..Hα-helixtrans-59.1-42.1172.6-76175.4171.600111.5K1094 H1095 I1101 K1102K1094-E1098 WeakPolarHBondContact CE-OE1 3.47Å; K1094-E1098 IonicContact NZ-OE1 2.7Å; K1094-E1098 WeakPolarHBondContact O-CG 3.42Å; K1094-E1098 PolarHBondContact O-N 3.42Å; H1095-E1098 PolarHBondContact O-N 2.99Å; E1098-I1101 PolarHBondContact O-N 3.36Å; E1098-K1102 WeakPolarHBondContact O-CB 3.25Å; E1098-K1102 PolarHBondContact O-N 3.46Å
1099C88.5Confident88.5Confident63 Ų6399.9 Ų99.943%0.42650%0.495SS..Hα-helixtrans-64.5-42.2174.4-76.60000112.7H1095 E1096 Y1097 K1102 H1103H1095-C1099 WeakPolarHBondContact O-CB 3.23Å; H1095-C1099 PolarHBondContact O-N 3.29Å; H1095-C1099 PolarHBondContact O-SG 2.88Å; H1095-C1099 VanDerWaalsContact O-SG 3.41Å; E1096-C1099 PolarHBondContact O-N 3.42Å; Y1097-C1099 VanDerWaalsContact C-N 3.31Å; Y1097-C1099 PolarHBondContact O-N 3.03Å; C1099-K1102 PolarHBondContact O-N 3.45Å; C1099-H1103 WeakPolarHBondContact O-CB 3.4Å; C1099-H1103 PolarHBondContact O-N 2.89Å
1100K90.6Very high88.3Confident111 Ų111101.3 Ų101.348%0.48350%0.496SS..Hα-helixtrans-64.8-42.6176.3-78.6171.1-177.5160.60112E1096 Y1097 H1103 L1104E1096-K1100 WeakPolarHBondContact O-CG 3.34Å; E1096-K1100 PolarHBondContact O-N 3.43Å; Y1097-K1100 PolarHBondContact O-N 3.32Å; K1100-H1103 PolarHBondContact O-N 3.32Å; K1100-L1104 WeakPolarHBondContact O-CB 3.49Å; K1100-L1104 WeakPolarHBondContact O-CG 3.49Å; K1100-L1104 PolarHBondContact O-N 2.8Å
1101I86.2Confident87.6Confident100 Ų100101.3 Ų101.351%0.51349%0.493SS..Hα-helixtrans-62.1-47176.3-70.3166.8000109.5Y1097 E1098 H1103 L1104 Q1105Y1097-I1101 WeakPolarHBondContact O-CB 3.46Å; Y1097-I1101 VanDerWaalsContact O-CG1 3.26Å; Y1097-I1101 WeakPolarHBondContact O-CG1 3.5Å; Y1097-I1101 PolarHBondContact O-N 3.01Å; E1098-I1101 PolarHBondContact O-N 3.36Å; I1101-H1103 VanDerWaalsContact C-N 3.34Å; I1101-H1103 PolarHBondContact O-N 3.37Å; I1101-L1104 PolarHBondContact O-N 2.94Å; I1101-Q1105 VanDerWaalsContact O-CB 3.26Å; I1101-Q1105 WeakPolarHBondContact O-CB 3.36Å; I1101-Q1105 PolarHBondContact O-N 3.23Å
1102K89.8Confident86.9Confident136 Ų136105.6 Ų105.659%0.59150%0.501SS*.Hα-helixtrans-59.4-44.5176.1-169.9179.6179.8-176.60111.8E1098 C1099 Q1105 D1106E1098-K1102 WeakPolarHBondContact O-CB 3.25Å; E1098-K1102 PolarHBondContact O-N 3.46Å; C1099-K1102 PolarHBondContact O-N 3.45Å; K1102-Q1105 PolarHBondContact O-N 3.3Å; K1102-D1106 WeakPolarHBondContact O-CB 3.48Å; K1102-D1106 VanDerWaalsContact O-CG 3.24Å; K1102-D1106 PolarHBondContact O-N 2.86Å
1103H89.9Confident86Confident125 Ų125108.1 Ų108.158%0.57951%0.51SS*.Hα-helixtrans-62.9-45.8177.5-174.948.3000112.3C1099 K1100 I1101 Q1105 D1106 T1107C1099-H1103 WeakPolarHBondContact O-CB 3.4Å; C1099-H1103 PolarHBondContact O-N 2.89Å; K1100-H1103 PolarHBondContact O-N 3.32Å; I1101-H1103 VanDerWaalsContact C-N 3.34Å; I1101-H1103 PolarHBondContact O-N 3.37Å; H1103-Q1105 VanDerWaalsContact C-N 3.25Å; H1103-Q1105 PolarHBondContact O-N 2.89Å; H1103-D1106 PolarHBondContact O-N 3.46Å; H1103-T1107 PolarHBondContact O-N 3.34Å; H1103-T1107 PolarHBondContact O-OG1 2.87Å
1104L85.7Confident85.2Confident121 Ų121110.4 Ų110.463%0.63452%0.515SS*.Hα-helixtrans-61.2-36.9174.9-74.1170.9000111.8K1100 I1101 T1107 L1108K1100-L1104 WeakPolarHBondContact O-CB 3.49Å; K1100-L1104 WeakPolarHBondContact O-CG 3.49Å; K1100-L1104 PolarHBondContact O-N 2.8Å; I1101-L1104 PolarHBondContact O-N 2.94Å; L1104-T1107 PolarHBondContact O-N 2.92Å; L1104-L1108 VanDerWaalsContact O-CB 3.28Å; L1104-L1108 WeakPolarHBondContact O-CB 3.48Å; L1104-L1108 PolarHBondContact O-N 3.25Å
1105Q85.1Confident83.7Confident118 Ų118107 Ų10755%0.55151%0.508SS*.Hα-helixtrans-71-38.6178.6-159.5156.10.700111.8I1101 K1102 H1103 L1108 N1109I1101-Q1105 VanDerWaalsContact O-CB 3.26Å; I1101-Q1105 WeakPolarHBondContact O-CB 3.36Å; I1101-Q1105 PolarHBondContact O-N 3.23Å; K1102-Q1105 PolarHBondContact O-N 3.3Å; H1103-Q1105 VanDerWaalsContact C-N 3.25Å; H1103-Q1105 PolarHBondContact O-N 2.89Å; Q1105-L1108 PolarHBondContact O-N 2.95Å; Q1105-N1109 WeakPolarHBondContact O-CB 3.29Å; Q1105-N1109 PolarHBondContact O-N 2.99Å; Q1105-N1109 PolarHBondContact O-ND2 3.38Å
1106D88.7Confident82.2Confident83 Ų83105.2 Ų105.244%0.44451%0.509SS..Hα-helixtrans-66.3-41.5172.5-68.2-21000111.2K1102 H1103 N1109 Y1110K1102-D1106 WeakPolarHBondContact O-CB 3.48Å; K1102-D1106 VanDerWaalsContact O-CG 3.24Å; K1102-D1106 PolarHBondContact O-N 2.86Å; H1103-D1106 PolarHBondContact O-N 3.46Å; D1106-N1109 PolarHBondContact O-N 2.86Å; D1106-Y1110 WeakPolarHBondContact O-CB 3.4Å; D1106-Y1110 PolarHBondContact O-N 2.98Å
1107T86.3Confident80.8Confident55 Ų55105.7 Ų105.734%0.33751%0.511SS..Hα-helixtrans-64.3-41.8174.9-56.10000111.7H1103 L1104 N1109 Y1110 E1111H1103-T1107 PolarHBondContact O-N 3.34Å; H1103-T1107 PolarHBondContact O-OG1 2.87Å; L1104-T1107 PolarHBondContact O-N 2.92Å; T1107-N1109 VanDerWaalsContact C-N 3.33Å; T1107-Y1110 PolarHBondContact O-N 2.98Å; T1107-E1111 PolarHBondContact O-N 2.98Å
1108L82.3Confident79Confident82 Ų82101.7 Ų101.743%0.42950%0.503SS..Hα-helixtrans-68.4-35.2177.7-161.1153.5000111.3L1104 Q1105 R1112L1104-L1108 VanDerWaalsContact O-CB 3.28Å; L1104-L1108 WeakPolarHBondContact O-CB 3.48Å; L1104-L1108 PolarHBondContact O-N 3.25Å; Q1105-L1108 PolarHBondContact O-N 2.95Å; L1108-R1112 HydrophobicContact CD2-CG 4.22Å; L1108-R1112 VanDerWaalsContact CD2-NE 3.26Å; L1108-R1112 WeakPolarHBondContact O-CB 3.48Å; L1108-R1112 WeakPolarHBondContact O-CG 3.29Å; L1108-R1112 PolarHBondContact O-N 3.45Å
1109N82.2Confident77.1Confident70 Ų70102.9 Ų102.937%0.37451%0.509SS..Hα-helixtrans-66.4-43.6171.3-71.9-20.6000111.3Q1105 D1106 T1107 R1112 E1113Q1105-N1109 WeakPolarHBondContact O-CB 3.29Å; Q1105-N1109 PolarHBondContact O-N 2.99Å; Q1105-N1109 PolarHBondContact O-ND2 3.38Å; D1106-N1109 PolarHBondContact O-N 2.86Å; T1107-N1109 VanDerWaalsContact C-N 3.33Å; N1109-R1112 PolarHBondContact O-N 3.26Å; N1109-E1113 WeakPolarHBondContact O-CB 3.46Å; N1109-E1113 WeakPolarHBondContact O-CG 3.42Å; N1109-E1113 PolarHBondContact O-N 3.34Å
1110Y83.8Confident75.5Confident138 Ų138105.2 Ų105.254%0.54151%0.513SS..Hα-helixtrans-60.6-46.5174.7-177.9-89.1000111.3D1106 T1107 R1112 E1113 E1114D1106-Y1110 WeakPolarHBondContact O-CB 3.4Å; D1106-Y1110 PolarHBondContact O-N 2.98Å; T1107-Y1110 PolarHBondContact O-N 2.98Å; Y1110-R1112 VanDerWaalsContact C-N 3.33Å; Y1110-R1112 PolarHBondContact O-N 3.48Å; Y1110-E1113 PolarHBondContact O-N 3.18Å; Y1110-E1114 HydrophobicContact CE1-CB 4.39Å; Y1110-E1114 HydrophobicContact CE1-CG 4.48Å; Y1110-E1114 VanDerWaalsContact O-CB 3.24Å; Y1110-E1114 WeakPolarHBondContact O-CB 3.45Å; Y1110-E1114 PolarHBondContact O-N 3.37Å; Y1110-E1114 PolarHBondContact OH-OE1 3.23Å
1111E75.4Confident73.7Confident114 Ų114103.9 Ų103.953%0.53351%0.511SS..Hα-helixtrans-63.5-35.8175-79.5-176.5167.100112.5T1107 S1115T1107-E1111 PolarHBondContact O-N 2.98Å; E1111-S1115 WeakPolarHBondContact O-CB 3.3Å; E1111-S1115 PolarHBondContact O-N 3.07Å; E1111-S1115 PolarHBondContact O-OG 2.74Å
1112R75.7Confident72.1Confident163 Ų163104.2 Ų104.262%0.61551%0.511SS*.Hα-helixtrans-68-41.7173.6-83.5-176.3-168.8-172.26.2112L1108 N1109 Y1110 S1116L1108-R1112 HydrophobicContact CD2-CG 4.22Å; L1108-R1112 VanDerWaalsContact CD2-NE 3.26Å; L1108-R1112 WeakPolarHBondContact O-CB 3.48Å; L1108-R1112 WeakPolarHBondContact O-CG 3.29Å; L1108-R1112 PolarHBondContact O-N 3.45Å; N1109-R1112 PolarHBondContact O-N 3.26Å; Y1110-R1112 VanDerWaalsContact C-N 3.33Å; Y1110-R1112 PolarHBondContact O-N 3.48Å; R1112-S1116 WeakPolarHBondContact O-CB 3.49Å; R1112-S1116 PolarHBondContact O-N 2.87Å; R1112-S1116 PolarHBondContact O-OG 3.02Å
1113E73.6Confident70.3Confident134 Ų134103.6 Ų103.663%0.62651%0.511SS*.Hα-helixtrans-66-44.9176-75.9178.8-17700110.3N1109 Y1110 S1116 Q1117N1109-E1113 WeakPolarHBondContact O-CB 3.46Å; N1109-E1113 WeakPolarHBondContact O-CG 3.42Å; N1109-E1113 PolarHBondContact O-N 3.34Å; Y1110-E1113 PolarHBondContact O-N 3.18Å; E1113-S1116 PolarHBondContact O-N 2.94Å; E1113-Q1117 VanDerWaalsContact O-CB 3.26Å; E1113-Q1117 WeakPolarHBondContact O-CB 3.35Å; E1113-Q1117 PolarHBondContact O-N 2.93Å
1114E70.9Confident68.5Low102 Ų102102.2 Ų102.248%0.47751%0.508SS..Hα-helixtrans-66.4-38.5177.3-157.7174.5-130.800111.3Y1110 C1118Y1110-E1114 HydrophobicContact CE1-CB 4.39Å; Y1110-E1114 HydrophobicContact CE1-CG 4.48Å; Y1110-E1114 VanDerWaalsContact O-CB 3.24Å; Y1110-E1114 WeakPolarHBondContact O-CB 3.45Å; Y1110-E1114 PolarHBondContact O-N 3.37Å; Y1110-E1114 PolarHBondContact OH-OE1 3.23Å; E1114-C1118 WeakPolarHBondContact O-CB 3.46Å; E1114-C1118 PolarHBondContact O-N 3.49Å
1115S60.8Low67Low62 Ų6299.9 Ų99.943%0.43450%0.499SS..Hα-helixtrans-69-35.4172.3-61.60000112.4E1111 H1119E1111-S1115 WeakPolarHBondContact O-CB 3.3Å; E1111-S1115 PolarHBondContact O-N 3.07Å; E1111-S1115 PolarHBondContact O-OG 2.74Å; S1115-H1119 VanDerWaalsContact O-CB 3.29Å; S1115-H1119 WeakPolarHBondContact O-CB 3.47Å; S1115-H1119 PolarHBondContact O-CD2 3.41Å; S1115-H1119 PolarHBondContact O-N 3.02Å
1116S59.6Low65.3Low78 Ų7896.3 Ų96.355%0.54549%0.487SS..Hα-helixtrans-73.1-38.6176.9-59.70000111.5R1112 E1113 H1119 H1120R1112-S1116 WeakPolarHBondContact O-CB 3.49Å; R1112-S1116 PolarHBondContact O-N 2.87Å; R1112-S1116 PolarHBondContact O-OG 3.02Å; E1113-S1116 PolarHBondContact O-N 2.94Å; S1116-H1119 PolarHBondContact O-N 3.22Å; S1116-H1120 WeakPolarHBondContact O-CB 3.49Å; S1116-H1120 PolarHBondContact O-N 2.92Å
1117Q60.3Low63.6Low121 Ų12196 Ų9657%0.56549%0.492SS*.Hα-helixtrans-67-44.1173.5-161.978.424.500110.1E1113 H1119 H1120 D1121E1113-Q1117 VanDerWaalsContact O-CB 3.26Å; E1113-Q1117 WeakPolarHBondContact O-CB 3.35Å; E1113-Q1117 PolarHBondContact O-N 2.93Å; Q1117-H1119 VanDerWaalsContact C-N 3.34Å; Q1117-H1119 PolarHBondContact O-N 3.28Å; Q1117-H1120 PolarHBondContact O-N 3.46Å; Q1117-H1120 VanDerWaalsContact O-N 3.15Å; Q1117-D1121 WeakPolarHBondContact O-CB 3.38Å; Q1117-D1121 PolarHBondContact O-N 3.34Å
1118C51.5Low62.3Low61 Ų61100.6 Ų100.641%0.41251%0.507SS..Hα-helixtrans-62.1-39.9172.8-174.80000111.2E1114 Q1122E1114-C1118 WeakPolarHBondContact O-CB 3.46Å; E1114-C1118 PolarHBondContact O-N 3.49Å; C1118-Q1122 WeakPolarHBondContact O-CA 3.24Å; C1118-Q1122 WeakPolarHBondContact O-CB 3.46Å; C1118-Q1122 WeakPolarHBondContact O-CG 3.41Å; C1118-Q1122 PolarHBondContact O-N 3.31Å
1119H52.9Low60.9Low123 Ų123100.9 Ų100.957%0.56951%0.508SS*.Hα-helixtrans-68-32.7173.3-87-53.6000112.9S1115 S1116 Q1117 M1123S1115-H1119 VanDerWaalsContact O-CB 3.29Å; S1115-H1119 WeakPolarHBondContact O-CB 3.47Å; S1115-H1119 PolarHBondContact O-CD2 3.41Å; S1115-H1119 PolarHBondContact O-N 3.02Å; S1116-H1119 PolarHBondContact O-N 3.22Å; Q1117-H1119 VanDerWaalsContact C-N 3.34Å; Q1117-H1119 PolarHBondContact O-N 3.28Å; H1119-M1123 VanDerWaalsContact O-CB 3.25Å; H1119-M1123 WeakPolarHBondContact O-CB 3.36Å; H1119-M1123 WeakPolarHBondContact O-CG 3.48Å; H1119-M1123 PolarHBondContact O-N 3.46Å
1120H53.8Low59.7Low112 Ų112100.6 Ų100.652%0.51951%0.509SS..Hα-helixtrans-72.9-44.6176-166.867.3000111.8S1116 Q1117 M1123 N1124S1116-H1120 WeakPolarHBondContact O-CB 3.49Å; S1116-H1120 PolarHBondContact O-N 2.92Å; Q1117-H1120 PolarHBondContact O-N 3.46Å; Q1117-H1120 VanDerWaalsContact O-N 3.15Å; H1120-M1123 PolarHBondContact O-N 3.36Å; H1120-N1124 PolarHBondContact O-N 2.98Å
1121D53.2Low58.6Low84 Ų84100.3 Ų100.345%0.44951%0.513SS..Hα-helixtrans-69.5-35.4174.6-72-22.4000111.1Q1117 N1124 T1125Q1117-D1121 WeakPolarHBondContact O-CB 3.38Å; Q1117-D1121 PolarHBondContact O-N 3.34Å; D1121-N1124 PolarHBondContact O-N 3.27Å; D1121-T1125 VanDerWaalsContact O-CB 3.31Å; D1121-T1125 WeakPolarHBondContact O-CB 3.48Å; D1121-T1125 VanDerWaalsContact O-CG2 3.32Å; D1121-T1125 WeakPolarHBondContact O-CG2 3.44Å; D1121-T1125 PolarHBondContact O-N 2.98Å; D1121-T1125 PolarHBondContact O-OG1 3.05Å
1122Q52.8Low57.9Low106 Ų106100 Ų10050%0.49551%0.511SS..Hα-helixtrans-69.4-31.9169.3-84.2-174.1-11.500112C1118 T1125 S1126C1118-Q1122 WeakPolarHBondContact O-CA 3.24Å; C1118-Q1122 WeakPolarHBondContact O-CB 3.46Å; C1118-Q1122 WeakPolarHBondContact O-CG 3.41Å; C1118-Q1122 PolarHBondContact O-N 3.31Å; Q1122-T1125 WeakPolarHBondContact CA-OG1 3.3Å; Q1122-S1126 WeakPolarHBondContact O-CA 3.41Å; Q1122-S1126 WeakPolarHBondContact O-CB 3.21Å; Q1122-S1126 PolarHBondContact O-N 2.83Å
1123M51.3Low57.1Low124 Ų12497.3 Ų97.361%0.61151%0.509SS*.Hα-helixtrans-70.3-37.7174.3-85.4-94.7109.900111.3H1119 H1120 S1127H1119-M1123 VanDerWaalsContact O-CB 3.25Å; H1119-M1123 WeakPolarHBondContact O-CB 3.36Å; H1119-M1123 WeakPolarHBondContact O-CG 3.48Å; H1119-M1123 PolarHBondContact O-N 3.46Å; H1120-M1123 PolarHBondContact O-N 3.36Å; M1123-S1127 PolarHBondContact O-N 3.37Å
1124N53.2Low56.4Low95 Ų9595.5 Ų95.551%0.50850%0.502SS..Hα-helixtrans-73.8-42.8176.5-76.1-29.5000112.3H1120 D1121 K1128H1120-N1124 PolarHBondContact O-N 2.98Å; D1121-N1124 PolarHBondContact O-N 3.27Å; N1124-K1128 PolarHBondContact O-N 2.88Å
1125T53.8Low55.8Low73 Ų7395.3 Ų95.345%0.44851%0.505SS..Hα-helixtrans-74.2-29.9173.657.40000111.9D1121 Q1122 K1128 L1129D1121-T1125 VanDerWaalsContact O-CB 3.31Å; D1121-T1125 WeakPolarHBondContact O-CB 3.48Å; D1121-T1125 VanDerWaalsContact O-CG2 3.32Å; D1121-T1125 WeakPolarHBondContact O-CG2 3.44Å; D1121-T1125 PolarHBondContact O-N 2.98Å; D1121-T1125 PolarHBondContact O-OG1 3.05Å; Q1122-T1125 WeakPolarHBondContact CA-OG1 3.3Å; T1125-K1128 CarbonylContact O-C 3.48Å; T1125-K1128 PolarHBondContact O-N 3.36Å; T1125-L1129 WeakPolarHBondContact O-CA 3.47Å; T1125-L1129 WeakPolarHBondContact O-CB 3.42Å; T1125-L1129 PolarHBondContact O-N 2.79Å
1126S50.3Low55.6Low43 Ų4396.4 Ų96.430%0.30151%0.505SS..Hα-helixtrans-68.5-40.6171.2170.10000110.5Q1122 K1128 L1129 T1130Q1122-S1126 WeakPolarHBondContact O-CA 3.41Å; Q1122-S1126 WeakPolarHBondContact O-CB 3.21Å; Q1122-S1126 PolarHBondContact O-N 2.83Å; S1126-K1128 VanDerWaalsContact C-N 3.25Å; S1126-K1128 PolarHBondContact O-N 2.9Å; S1126-L1129 CarbonylContact O-C 3.52Å; S1126-L1129 PolarHBondContact O-N 3.39Å; S1126-T1130 WeakPolarHBondContact O-CA 3.46Å; S1126-T1130 WeakPolarHBondContact O-CB 3.21Å; S1126-T1130 PolarHBondContact O-N 3.04Å; S1126-T1130 PolarHBondContact O-OG1 2.68Å; S1126-T1130 PolarHBondContact OG-OG1 2.83Å
1127S52.3Low55.3Low77 Ų7794.6 Ų94.654%0.53850%0.498SS..Hα-helixtrans-59.5-42.7171.8-88.60000110.6M1123 Q1131M1123-S1127 PolarHBondContact O-N 3.37Å; S1127-Q1131 WeakPolarHBondContact O-CB 3.46Å; S1127-Q1131 PolarHBondContact O-N 3.39Å
1128K59.2Low54.9Low150 Ų15094.4 Ų94.465%0.65250%0.502SS*.Hα-helixtrans-67.3-44.2175.8-118.4175.7-179.2178.70113.6N1124 T1125 S1126 Q1131 E1132N1124-K1128 PolarHBondContact O-N 2.88Å; T1125-K1128 CarbonylContact O-C 3.48Å; T1125-K1128 PolarHBondContact O-N 3.36Å; S1126-K1128 VanDerWaalsContact C-N 3.25Å; S1126-K1128 PolarHBondContact O-N 2.9Å; K1128-Q1131 PolarHBondContact O-N 3.38Å; K1128-E1132 WeakPolarHBondContact O-CB 3.35Å; K1128-E1132 WeakPolarHBondContact O-CG 3.32Å; K1128-E1132 PolarHBondContact O-N 3.48Å
1129L52.5Low55Low88 Ų8899.4 Ų99.446%0.46152%0.519SS..Hα-helixtrans-70.3-33178.1-95.3153.6000110.9T1125 S1126 E1132 L1133T1125-L1129 WeakPolarHBondContact O-CA 3.47Å; T1125-L1129 WeakPolarHBondContact O-CB 3.42Å; T1125-L1129 PolarHBondContact O-N 2.79Å; S1126-L1129 CarbonylContact O-C 3.52Å; S1126-L1129 PolarHBondContact O-N 3.39Å; L1129-E1132 CarbonylContact O-C 3.49Å; L1129-E1132 PolarHBondContact O-N 2.89Å; L1129-L1133 WeakPolarHBondContact O-CA 3.34Å; L1129-L1133 WeakPolarHBondContact O-CB 3.2Å; L1129-L1133 WeakPolarHBondContact O-CD1 3.37Å; L1129-L1133 WeakPolarHBondContact O-CG 3.34Å; L1129-L1133 PolarHBondContact O-N 3.39Å
1130T57.9Low54.9Low64 Ų6496.3 Ų96.339%0.39351%0.51SS..Hα-helixtrans-72.9-38.7175.6-51.90000108.4S1126 L1133 I1134S1126-T1130 WeakPolarHBondContact O-CA 3.46Å; S1126-T1130 WeakPolarHBondContact O-CB 3.21Å; S1126-T1130 PolarHBondContact O-N 3.04Å; S1126-T1130 PolarHBondContact O-OG1 2.68Å; S1126-T1130 PolarHBondContact OG-OG1 2.83Å; T1130-L1133 PolarHBondContact O-N 2.92Å; T1130-I1134 HydrophobicContact CG2-CD1 4.09Å; T1130-I1134 VanDerWaalsContact O-CB 3.29Å; T1130-I1134 WeakPolarHBondContact O-CB 3.34Å; T1130-I1134 WeakPolarHBondContact O-CD1 3.37Å; T1130-I1134 WeakPolarHBondContact O-CG1 3.39Å; T1130-I1134 PolarHBondContact O-N 3.17Å
1131Q59.4Low54.7Low133 Ų13397.6 Ų97.662%0.62151%0.514SS*.Hα-helixtrans-66.8-40.3171.6-136.5127.631.100112S1127 K1128 N1135S1127-Q1131 WeakPolarHBondContact O-CB 3.46Å; S1127-Q1131 PolarHBondContact O-N 3.39Å; K1128-Q1131 PolarHBondContact O-N 3.38Å; Q1131-N1135 WeakPolarHBondContact O-CB 3.34Å; Q1131-N1135 PolarHBondContact O-N 2.92Å; Q1131-N1135 PolarHBondContact O-ND2 2.89Å
1132E60.5Low54.4Low107 Ų10796.9 Ų96.950%0.553%0.527SS..Hα-helixtrans-70.2-33.8174.1-76.8-178-172.600112.4K1128 L1129 N1135 L1136K1128-E1132 WeakPolarHBondContact O-CB 3.35Å; K1128-E1132 WeakPolarHBondContact O-CG 3.32Å; K1128-E1132 PolarHBondContact O-N 3.48Å; L1129-E1132 CarbonylContact O-C 3.49Å; L1129-E1132 PolarHBondContact O-N 2.89Å; E1132-N1135 CarbonylContact O-C 3.59Å; E1132-N1135 PolarHBondContact O-N 3.4Å; E1132-L1136 VanDerWaalsContact O-CB 3.26Å; E1132-L1136 WeakPolarHBondContact O-CB 3.45Å; E1132-L1136 WeakPolarHBondContact O-CD1 3.15Å; E1132-L1136 PolarHBondContact O-N 3.44Å
1133L58.7Low54.2Low106 Ų10699.1 Ų99.156%0.55554%0.537SS*.Hα-helixtrans-77.9-28.3176-76.4165.8000111.7L1129 T1130 G1137L1129-L1133 WeakPolarHBondContact O-CA 3.34Å; L1129-L1133 WeakPolarHBondContact O-CB 3.2Å; L1129-L1133 WeakPolarHBondContact O-CD1 3.37Å; L1129-L1133 WeakPolarHBondContact O-CG 3.34Å; L1129-L1133 PolarHBondContact O-N 3.39Å; T1130-L1133 PolarHBondContact O-N 2.92Å; L1133-G1137 VanDerWaalsContact O-CA 3.26Å; L1133-G1137 WeakPolarHBondContact O-CA 3.3Å; L1133-G1137 PolarHBondContact O-N 3.39Å
1134I58.5Low54.6Low97 Ų97100.4 Ų100.450%0.49754%0.536SS..Hα-helixtrans-67.4-43.8166.8-72.3162.9000108.6T1130 G1137 N1138T1130-I1134 HydrophobicContact CG2-CD1 4.09Å; T1130-I1134 VanDerWaalsContact O-CB 3.29Å; T1130-I1134 WeakPolarHBondContact O-CB 3.34Å; T1130-I1134 WeakPolarHBondContact O-CD1 3.37Å; T1130-I1134 WeakPolarHBondContact O-CG1 3.39Å; T1130-I1134 PolarHBondContact O-N 3.17Å; I1134-G1137 PolarHBondContact O-N 2.7Å; I1134-N1138 WeakPolarHBondContact O-CB 3.35Å; I1134-N1138 PolarHBondContact O-N 3.04Å; I1134-N1138 PolarHBondContact O-ND2 3.08Å
1135N59.8Low54.5Low98 Ų98103.1 Ų103.152%0.52455%0.545SS..Hα-helixtrans-68.1-40.1176.5-69.3-18.9000112.8Q1131 E1132 N1138 Q1139Q1131-N1135 WeakPolarHBondContact O-CB 3.34Å; Q1131-N1135 PolarHBondContact O-N 2.92Å; Q1131-N1135 PolarHBondContact O-ND2 2.89Å; E1132-N1135 CarbonylContact O-C 3.59Å; E1132-N1135 PolarHBondContact O-N 3.4Å; N1135-N1138 PolarHBondContact O-N 3.35Å; N1135-Q1139 PolarHBondContact O-N 2.94Å
1136L55Low54.7Low85 Ų85106 Ų10645%0.44555%0.549SS..Hα-helixtrans-73-34.9174.6-103.2123.1000111.5E1132 N1138 Q1139 C1140E1132-L1136 VanDerWaalsContact O-CB 3.26Å; E1132-L1136 WeakPolarHBondContact O-CB 3.45Å; E1132-L1136 WeakPolarHBondContact O-CD1 3.15Å; E1132-L1136 PolarHBondContact O-N 3.44Å; L1136-N1138 VanDerWaalsContact C-N 3.31Å; L1136-Q1139 CarbonylContact O-C 3.6Å; L1136-Q1139 WeakPolarHBondContact O-CA 3.4Å; L1136-Q1139 PolarHBondContact O-N 3.46Å; L1136-C1140 WeakPolarHBondContact O-CB 3.38Å; L1136-C1140 PolarHBondContact O-N 3.43Å; L1136-C1140 PolarHBondContact O-SG 2.89Å
1137G53.9Low55.4Low39 Ų39108 Ų10840%0.40255%0.553SS.*Hα-helixtrans-62.7-40.5173.200000111L1133 I1134 Q1139 C1140L1133-G1137 VanDerWaalsContact O-CA 3.26Å; L1133-G1137 WeakPolarHBondContact O-CA 3.3Å; L1133-G1137 PolarHBondContact O-N 3.39Å; I1134-G1137 PolarHBondContact O-N 2.7Å; G1137-Q1139 PolarHBondContact O-N 3.11Å; G1137-C1140 PolarHBondContact O-N 3.27Å
1138N52.6Low56.2Low118 Ų118108.2 Ų108.263%0.63155%0.547SS*.Hα-helixtrans-64.8-25.7171.3-70.3-15.4000112.8I1134 N1135 L1136I1134-N1138 WeakPolarHBondContact O-CB 3.35Å; I1134-N1138 PolarHBondContact O-N 3.04Å; I1134-N1138 PolarHBondContact O-ND2 3.08Å; N1135-N1138 PolarHBondContact O-N 3.35Å; L1136-N1138 VanDerWaalsContact C-N 3.31Å
1139Q53.1Low56.9Low165 Ų165104.8 Ų104.877%0.77154%0.535SS*.Hα-helixtrans-92.5-13.1172.3-78.4-173.6-2.700114.9N1135 L1136 G1137N1135-Q1139 PolarHBondContact O-N 2.94Å; L1136-Q1139 CarbonylContact O-C 3.6Å; L1136-Q1139 WeakPolarHBondContact O-CA 3.4Å; L1136-Q1139 PolarHBondContact O-N 3.46Å; G1137-Q1139 PolarHBondContact O-N 3.11Å
1140C51Low58Low59 Ų59104.3 Ų104.340%0.39953%0.533SS..  trans-108.327.6-173.2-67.20000113L1136 G1137 G1142 R1144L1136-C1140 WeakPolarHBondContact O-CB 3.38Å; L1136-C1140 PolarHBondContact O-N 3.43Å; L1136-C1140 PolarHBondContact O-SG 2.89Å; G1137-C1140 PolarHBondContact O-N 3.27Å; C1140-G1142 PolarHBondContact O-N 3.32Å; C1140-R1144 PolarHBondContact SG-NH2 2.91Å
1141K49.2Very low59Low138 Ų138107.9 Ų107.960%0.654%0.543SS*.SBendtrans-59.6100.1158.5-78.2-176.7176.6174.10109D580D580-K1141 IonicContact OD2-NZ 2.8Å; D580-K1141 PolarHBondContact OD2-NZ 3.39Å
1142G47.5Very low60Low69 Ų69107.6 Ų107.671%0.71154%0.542SS*.SBendtrans103.5-38.7146.300000119.8C1140C1140-G1142 PolarHBondContact O-N 3.32Å
1143E49.6Very low61.1Low153 Ų153108.6 Ų108.672%0.71555%0.545SS*.SBendtrans-98.4-9.5-156.2-64.9-149.2156.900118.9Y1146E1143-Y1146 WeakPolarHBondContact O-CD1 3.47Å
1144R59.5Low62.4Low152 Ų152109.2 Ų109.257%0.57454%0.544SS*.Hα-helixtrans-101-19-172.6-77.1-166.1-80.1-133.1-1.5117.2C1140 Y1146 I1148C1140-R1144 PolarHBondContact SG-NH2 2.91Å; R1144-Y1146 PolarHBondContact O-N 3.32Å; R1144-I1148 HydrophobicContact CB-CD1 4.39Å; R1144-I1148 WeakPolarHBondContact O-CD1 3.48Å; R1144-I1148 WeakPolarHBondContact O-CG1 3.47Å; R1144-I1148 PolarHBondContact O-N 3.29Å; R1144-I1148 VanDerWaalsContact O-N 3.13Å
1145H50.3Low63.9Low151 Ų151107.3 Ų107.370%0.69954%0.544SS*.Hα-helixtrans-68.6-36.4-178.7-81.8-59.6000112.4I1149H1145-I1149 WeakPolarHBondContact O-CB 3.43Å; H1145-I1149 WeakPolarHBondContact O-CD1 3.29Å; H1145-I1149 WeakPolarHBondContact O-CG1 3.25Å; H1145-I1149 PolarHBondContact O-N 2.96Å
1146Y58.9Low65Low135 Ų135106.9 Ų106.953%0.52954%0.541SS..Hα-helixtrans-67.9-44.3178.3100.7-92.1000111.6E1143 R1144 I1148 I1149 D1150E1143-Y1146 WeakPolarHBondContact O-CD1 3.47Å; R1144-Y1146 PolarHBondContact O-N 3.32Å; Y1146-I1148 PolarHBondContact O-N 3.44Å; Y1146-I1149 PolarHBondContact O-N 2.84Å; Y1146-D1150 WeakPolarHBondContact O-CB 3.34Å; Y1146-D1150 PolarHBondContact O-N 3.21Å
1147E63.4Low66.4Low85 Ų85106 Ų10640%0.39754%0.542SS..Hα-helixtrans-65.2-37.1179.2-67.2-168.4155.100112.9D1150 K1151E1147-D1150 PolarHBondContact O-N 3.45Å; E1147-K1151 WeakPolarHBondContact O-CB 3.42Å; E1147-K1151 WeakPolarHBondContact O-CG 3.31Å; E1147-K1151 PolarHBondContact O-N 3.12Å
1148I69.8Low68.1Low80 Ų80108.5 Ų108.541%0.4154%0.543SS..Hα-helixtrans-68.2-43.2176.9-66.4165.9000109.8R1144 Y1146 D1150 K1151 Q1152R1144-I1148 HydrophobicContact CB-CD1 4.39Å; R1144-I1148 WeakPolarHBondContact O-CD1 3.48Å; R1144-I1148 WeakPolarHBondContact O-CG1 3.47Å; R1144-I1148 PolarHBondContact O-N 3.29Å; R1144-I1148 VanDerWaalsContact O-N 3.13Å; Y1146-I1148 PolarHBondContact O-N 3.44Å; I1148-D1150 VanDerWaalsContact C-N 3.3Å; I1148-D1150 PolarHBondContact O-N 2.76Å; I1148-K1151 PolarHBondContact O-N 2.86Å; I1148-Q1152 HydrophobicContact CG2-CG 4.42Å; I1148-Q1152 WeakPolarHBondContact O-CB 3.44Å; I1148-Q1152 VanDerWaalsContact O-CG 3.28Å; I1148-Q1152 WeakPolarHBondContact O-CG 3.32Å; I1148-Q1152 PolarHBondContact O-N 3.32Å
1149I73.5Confident69.4Low79 Ų79107.6 Ų107.641%0.40554%0.538SS..Hα-helixtrans-62.2-41176-70.6166.7000110.2H1145 Y1146 Q1152 K1153H1145-I1149 WeakPolarHBondContact O-CB 3.43Å; H1145-I1149 WeakPolarHBondContact O-CD1 3.29Å; H1145-I1149 WeakPolarHBondContact O-CG1 3.25Å; H1145-I1149 PolarHBondContact O-N 2.96Å; Y1146-I1149 PolarHBondContact O-N 2.84Å; I1149-Q1152 PolarHBondContact O-N 2.93Å; I1149-K1153 HydrophobicContact CG2-CD 3.97Å; I1149-K1153 VanDerWaalsContact CG2-CE 3.47Å; I1149-K1153 HydrophobicContact CG2-CG 4.35Å; I1149-K1153 WeakPolarHBondContact O-CB 3.47Å; I1149-K1153 VanDerWaalsContact O-CG 3.23Å; I1149-K1153 WeakPolarHBondContact O-CG 3.46Å; I1149-K1153 PolarHBondContact O-N 3.36Å
1150D76.6Confident70.9Confident78 Ų78106.9 Ų106.942%0.41753%0.528SS..Hα-helixtrans-69.1-41178.3-77.2-15.1000112.1Y1146 E1147 I1148 Q1152 K1153 E1154Y1146-D1150 WeakPolarHBondContact O-CB 3.34Å; Y1146-D1150 PolarHBondContact O-N 3.21Å; E1147-D1150 PolarHBondContact O-N 3.45Å; I1148-D1150 VanDerWaalsContact C-N 3.3Å; I1148-D1150 PolarHBondContact O-N 2.76Å; D1150-Q1152 VanDerWaalsContact C-N 3.34Å; D1150-Q1152 PolarHBondContact O-N 3.43Å; D1150-K1153 PolarHBondContact O-N 3.39Å; D1150-K1153 IonicContact OD1-NZ 3.57Å; D1150-E1154 VanDerWaalsContact O-CB 3.3Å; D1150-E1154 WeakPolarHBondContact O-CB 3.35Å; D1150-E1154 PolarHBondContact O-N 2.97Å
1151K79.3Confident72.2Confident139 Ų139108 Ų10860%0.60453%0.527SS*.Hα-helixtrans-62.9-39.2172.2-76.5175-179.6168.50112.4E1147 I1148 E1154 A1155E1147-K1151 WeakPolarHBondContact O-CB 3.42Å; E1147-K1151 WeakPolarHBondContact O-CG 3.31Å; E1147-K1151 PolarHBondContact O-N 3.12Å; I1148-K1151 PolarHBondContact O-N 2.86Å; K1151-E1154 PolarHBondContact O-N 3.34Å; K1151-A1155 VanDerWaalsContact O-CB 3.32Å; K1151-A1155 WeakPolarHBondContact O-CB 3.49Å; K1151-A1155 PolarHBondContact O-N 3.05Å
1152Q79.4Confident73.6Confident127 Ų127109 Ų10959%0.59353%0.527SS*.Hα-helixtrans-68.6-41.1175.6-75.3177.6-9.900111.6I1148 I1149 D1150 E1154 A1155 L1156I1148-Q1152 HydrophobicContact CG2-CG 4.42Å; I1148-Q1152 WeakPolarHBondContact O-CB 3.44Å; I1148-Q1152 VanDerWaalsContact O-CG 3.28Å; I1148-Q1152 WeakPolarHBondContact O-CG 3.32Å; I1148-Q1152 PolarHBondContact O-N 3.32Å; I1149-Q1152 PolarHBondContact O-N 2.93Å; D1150-Q1152 VanDerWaalsContact C-N 3.34Å; D1150-Q1152 PolarHBondContact O-N 3.43Å; Q1152-E1154 VanDerWaalsContact C-N 3.31Å; Q1152-E1154 PolarHBondContact O-N 3.49Å; Q1152-A1155 PolarHBondContact O-N 3.07Å; Q1152-L1156 VanDerWaalsContact O-CB 3.23Å; Q1152-L1156 WeakPolarHBondContact O-CB 3.46Å; Q1152-L1156 PolarHBondContact O-N 3.46Å
1153K82.6Confident74.7Confident128 Ų128109.3 Ų109.356%0.55751%0.512SS*.Hα-helixtrans-62.1-40.3172.8-77.3172.5-179.3170.30111.3I1149 D1150 L1156 S1157I1149-K1153 HydrophobicContact CG2-CD 3.97Å; I1149-K1153 VanDerWaalsContact CG2-CE 3.47Å; I1149-K1153 HydrophobicContact CG2-CG 4.35Å; I1149-K1153 WeakPolarHBondContact O-CB 3.47Å; I1149-K1153 VanDerWaalsContact O-CG 3.23Å; I1149-K1153 WeakPolarHBondContact O-CG 3.46Å; I1149-K1153 PolarHBondContact O-N 3.36Å; D1150-K1153 PolarHBondContact O-N 3.39Å; D1150-K1153 IonicContact OD1-NZ 3.57Å; K1153-L1156 PolarHBondContact O-N 3.48Å; K1153-S1157 VanDerWaalsContact O-CB 3.26Å; K1153-S1157 WeakPolarHBondContact O-CB 3.41Å; K1153-S1157 PolarHBondContact O-N 3.2Å
1154E87.3Confident75.6Confident118 Ų118108.3 Ų108.355%0.55150%0.502SS*.Hα-helixtrans-67.6-46.8177.1-169.1177173.500111.4D1150 K1151 Q1152 L1156 S1157 Q1158D1150-E1154 VanDerWaalsContact O-CB 3.3Å; D1150-E1154 WeakPolarHBondContact O-CB 3.35Å; D1150-E1154 PolarHBondContact O-N 2.97Å; K1151-E1154 PolarHBondContact O-N 3.34Å; Q1152-E1154 VanDerWaalsContact C-N 3.31Å; Q1152-E1154 PolarHBondContact O-N 3.49Å; E1154-L1156 VanDerWaalsContact C-N 3.32Å; E1154-L1156 PolarHBondContact O-N 2.82Å; E1154-S1157 CarbonylContact O-C 3.59Å; E1154-S1157 WeakPolarHBondContact O-CB 3.48Å; E1154-S1157 PolarHBondContact O-N 3.48Å; E1154-S1157 VanDerWaalsContact O-N 3.16Å; E1154-Q1158 WeakPolarHBondContact O-CG 3.48Å; E1154-Q1158 PolarHBondContact O-N 3.42Å
1155A88.9Confident75.9Confident58 Ų58104.9 Ų104.948%0.47950%0.495SS..Hα-helixtrans-60.7-41174.800000111.9K1151 Q1152 Q1158 L1159K1151-A1155 VanDerWaalsContact O-CB 3.32Å; K1151-A1155 WeakPolarHBondContact O-CB 3.49Å; K1151-A1155 PolarHBondContact O-N 3.05Å; Q1152-A1155 PolarHBondContact O-N 3.07Å; A1155-Q1158 PolarHBondContact O-N 3Å; A1155-L1159 WeakPolarHBondContact O-CB 3.47Å; A1155-L1159 PolarHBondContact O-N 2.73Å
1156L83Confident76.5Confident89 Ų89103.6 Ų103.647%0.46649%0.489SS..Hα-helixtrans-68.6-36176-162.872.5000111.6Q1152 K1153 E1154 L1159 R1160Q1152-L1156 VanDerWaalsContact O-CB 3.23Å; Q1152-L1156 WeakPolarHBondContact O-CB 3.46Å; Q1152-L1156 PolarHBondContact O-N 3.46Å; K1153-L1156 PolarHBondContact O-N 3.48Å; E1154-L1156 VanDerWaalsContact C-N 3.32Å; E1154-L1156 PolarHBondContact O-N 2.82Å; L1156-L1159 PolarHBondContact O-N 2.84Å; L1156-R1160 WeakPolarHBondContact O-CB 3.34Å; L1156-R1160 WeakPolarHBondContact O-CG 3.38Å; L1156-R1160 PolarHBondContact O-N 3.47Å
1157S85.5Confident75.8Confident66 Ų66105 Ų10546%0.46249%0.494SS..Hα-helixtrans-64.6-44.7172.8-170.20000111.1K1153 E1154 L1159 R1160 Q1161K1153-S1157 VanDerWaalsContact O-CB 3.26Å; K1153-S1157 WeakPolarHBondContact O-CB 3.41Å; K1153-S1157 PolarHBondContact O-N 3.2Å; E1154-S1157 CarbonylContact O-C 3.59Å; E1154-S1157 WeakPolarHBondContact O-CB 3.48Å; E1154-S1157 PolarHBondContact O-N 3.48Å; E1154-S1157 VanDerWaalsContact O-N 3.16Å; S1157-L1159 PolarHBondContact O-N 3.13Å; S1157-R1160 PolarHBondContact O-N 3.29Å; S1157-Q1161 VanDerWaalsContact O-CB 3.31Å; S1157-Q1161 WeakPolarHBondContact O-CB 3.46Å; S1157-Q1161 PolarHBondContact O-N 3.45Å
1158Q88.5Confident74.7Confident92 Ų92107.6 Ų107.643%0.4351%0.508SS..Hα-helixtrans-64.1-37.9175.4-71.1-178.23300112.3E1154 A1155 Q1161 R1162E1154-Q1158 WeakPolarHBondContact O-CG 3.48Å; E1154-Q1158 PolarHBondContact O-N 3.42Å; A1155-Q1158 PolarHBondContact O-N 3Å; Q1158-Q1161 PolarHBondContact O-N 3.49Å; Q1158-R1162 WeakPolarHBondContact O-CB 3.28Å; Q1158-R1162 WeakPolarHBondContact O-CG 3.49Å; Q1158-R1162 PolarHBondContact O-N 3.46Å
1159L81.4Confident73.3Confident99 Ų99113.9 Ų113.952%0.51853%0.528SS..Hα-helixtrans-68.2-43.8174.9-175.567000111.2A1155 L1156 S1157 Q1161 R1162 L1163A1155-L1159 WeakPolarHBondContact O-CB 3.47Å; A1155-L1159 PolarHBondContact O-N 2.73Å; L1156-L1159 PolarHBondContact O-N 2.84Å; S1157-L1159 PolarHBondContact O-N 3.13Å; L1159-Q1161 VanDerWaalsContact C-N 3.28Å; L1159-Q1161 PolarHBondContact O-N 3.4Å; L1159-R1162 PolarHBondContact O-N 2.86Å; L1159-L1163 HydrophobicContact CG-CD1 4.5Å; L1159-L1163 WeakPolarHBondContact O-CB 3.33Å; L1159-L1163 PolarHBondContact O-N 3.34Å
1160R83.2Confident71.6Confident149 Ų149115.4 Ų115.456%0.56254%0.536SS*.Hα-helixtrans-62.5-36.6173.9-74.5171.8-177.1-111.82.8111.6L1156 S1157 R1164L1156-R1160 WeakPolarHBondContact O-CB 3.34Å; L1156-R1160 WeakPolarHBondContact O-CG 3.38Å; L1156-R1160 PolarHBondContact O-N 3.47Å; S1157-R1160 PolarHBondContact O-N 3.29Å; R1160-R1164 WeakPolarHBondContact O-CB 3.42Å; R1160-R1164 WeakPolarHBondContact O-CG 3.46Å; R1160-R1164 PolarHBondContact O-N 2.7Å
1161Q78.3Confident69.3Low82 Ų82118.5 Ų118.538%0.38355%0.552SS.*Hα-helixtrans-67.5-47.7174.3-168.465.128.700110.6S1157 Q1158 L1159 L1163 R1164 D1165S1157-Q1161 VanDerWaalsContact O-CB 3.31Å; S1157-Q1161 WeakPolarHBondContact O-CB 3.46Å; S1157-Q1161 PolarHBondContact O-N 3.45Å; Q1158-Q1161 PolarHBondContact O-N 3.49Å; L1159-Q1161 VanDerWaalsContact C-N 3.28Å; L1159-Q1161 PolarHBondContact O-N 3.4Å; Q1161-L1163 VanDerWaalsContact C-N 3.3Å; Q1161-L1163 PolarHBondContact O-N 2.91Å; Q1161-R1164 CarbonylContact O-C 3.56Å; Q1161-R1164 WeakPolarHBondContact O-CA 3.48Å; Q1161-R1164 WeakPolarHBondContact O-CB 3.47Å; Q1161-R1164 PolarHBondContact O-N 2.99Å; Q1161-D1165 PolarHBondContact NE2-OD1 2.99Å; Q1161-D1165 VanDerWaalsContact NE2-OD1 3.1Å; Q1161-D1165 WeakPolarHBondContact O-CB 3.32Å; Q1161-D1165 PolarHBondContact O-N 2.83Å
1162R78.4Confident67.2Low159 Ų159117.7 Ų117.760%0.656%0.561SS**Hα-helixtrans-59.2-39.5174.1-80.9-171.4172.188.4-0.4112.8Q1158 L1159 D1165 Q1166Q1158-R1162 WeakPolarHBondContact O-CB 3.28Å; Q1158-R1162 WeakPolarHBondContact O-CG 3.49Å; Q1158-R1162 PolarHBondContact O-N 3.46Å; L1159-R1162 PolarHBondContact O-N 2.86Å; R1162-D1165 PolarHBondContact O-N 2.91Å; R1162-Q1166 WeakPolarHBondContact O-CB 3.37Å; R1162-Q1166 PolarHBondContact O-N 3.27Å
1163L70.5Confident65.1Low76 Ų76121.3 Ų121.340%0.39858%0.575SS.*Hα-helixtrans-65.2-42.8173.2-100157.2000111.4L1159 Q1161 Q1166 Y1167L1159-L1163 HydrophobicContact CG-CD1 4.5Å; L1159-L1163 WeakPolarHBondContact O-CB 3.33Å; L1159-L1163 PolarHBondContact O-N 3.34Å; Q1161-L1163 VanDerWaalsContact C-N 3.3Å; Q1161-L1163 PolarHBondContact O-N 2.91Å; L1163-Q1166 PolarHBondContact O-N 2.87Å; L1163-Y1167 HydrophobicContact CD2-CD2 3.88Å; L1163-Y1167 HydrophobicContact CD2-CE2 3.73Å; L1163-Y1167 WeakPolarHBondContact O-CB 3.4Å; L1163-Y1167 WeakPolarHBondContact O-CD2 3.42Å; L1163-Y1167 PolarHBondContact O-N 3.47Å
1164R70.4Confident62.7Low133 Ų133118.4 Ų118.450%0.50258%0.581SS.*Hα-helixtrans-62.5-46.1173.3-81.5-169.7-66.3-106.60.7111.3R1160 Q1161 Q1166 Y1167 M1168R1160-R1164 WeakPolarHBondContact O-CB 3.42Å; R1160-R1164 WeakPolarHBondContact O-CG 3.46Å; R1160-R1164 PolarHBondContact O-N 2.7Å; Q1161-R1164 CarbonylContact O-C 3.56Å; Q1161-R1164 WeakPolarHBondContact O-CA 3.48Å; Q1161-R1164 WeakPolarHBondContact O-CB 3.47Å; Q1161-R1164 PolarHBondContact O-N 2.99Å; R1164-Q1166 VanDerWaalsContact C-N 3.3Å; R1164-Q1166 PolarHBondContact O-N 2.83Å; R1164-Y1167 PolarHBondContact O-N 3.17Å; R1164-M1168 WeakPolarHBondContact O-CB 3.28Å; R1164-M1168 PolarHBondContact O-N 2.97Å
1165D64.1Low60.3Low79 Ų79119.7 Ų119.742%0.42259%0.591SS.*Hα-helixtrans-64.6-38.6179.2-60.7-19.3000110.4Q1161 R1162 Y1169Q1161-D1165 PolarHBondContact NE2-OD1 2.99Å; Q1161-D1165 VanDerWaalsContact NE2-OD1 3.1Å; Q1161-D1165 WeakPolarHBondContact O-CB 3.32Å; Q1161-D1165 PolarHBondContact O-N 2.83Å; R1162-D1165 PolarHBondContact O-N 2.91Å; D1165-Y1169 PolarHBondContact O-N 2.89Å; D1165-Y1169 VanDerWaalsContact O-N 3.07Å
1166Q63.6Low58.2Low124 Ų124122.5 Ų122.558%0.57960%0.603SS**Hα-helixtrans-67.1-40174.8-170.4175.3900112.2R1162 L1163 R1164 I1170R1162-Q1166 WeakPolarHBondContact O-CB 3.37Å; R1162-Q1166 PolarHBondContact O-N 3.27Å; L1163-Q1166 PolarHBondContact O-N 2.87Å; R1164-Q1166 VanDerWaalsContact C-N 3.3Å; R1164-Q1166 PolarHBondContact O-N 2.83Å; Q1166-I1170 VanDerWaalsContact O-CD1 3.22Å; Q1166-I1170 WeakPolarHBondContact O-CD1 3.49Å; Q1166-I1170 VanDerWaalsContact O-CG1 3.25Å; Q1166-I1170 WeakPolarHBondContact O-CG1 3.43Å
1167Y43.7Very low56.5Low164 Ų164125.3 Ų125.364%0.64361%0.614SS**Hα-helixtrans-79.6-29.3177.1-91.8-84.5000113.4L1163 R1164 Y1169 I1170L1163-Y1167 HydrophobicContact CD2-CD2 3.88Å; L1163-Y1167 HydrophobicContact CD2-CE2 3.73Å; L1163-Y1167 WeakPolarHBondContact O-CB 3.4Å; L1163-Y1167 WeakPolarHBondContact O-CD2 3.42Å; L1163-Y1167 PolarHBondContact O-N 3.47Å; R1164-Y1167 PolarHBondContact O-N 3.17Å; Y1167-Y1169 VanDerWaalsContact C-N 3.27Å; Y1167-I1170 PolarHBondContact O-N 3.36Å; Y1167-I1170 VanDerWaalsContact O-N 3.09Å
1168M39.7Very low54.4Low140 Ų140127.2 Ų127.269%0.6962%0.619SS**Hα-helixtrans-73.6-24.9176-149.6-86.1102.100110.4R1164 I1170R1164-M1168 WeakPolarHBondContact O-CB 3.28Å; R1164-M1168 PolarHBondContact O-N 2.97Å; M1168-I1170 VanDerWaalsContact C-N 3.29Å; M1168-I1170 PolarHBondContact O-N 3.45Å
1169Y40.6Very low52.1Low213 Ų213128.8 Ų128.884%0.83563%0.63SS**THydrogen-bonded Turntrans-77.3-4.8167-98.3-88.5000115D1165 Y1167D1165-Y1169 PolarHBondContact O-N 2.89Å; D1165-Y1169 VanDerWaalsContact O-N 3.07Å; Y1167-Y1169 VanDerWaalsContact C-N 3.27Å
1170I38Very low50.8Low111 Ų111130 Ų13057%0.56963%0.633SS**THydrogen-bonded Turntrans-113.428.4-178.9-53.6163.5000111.8Q1166 Y1167 M1168Q1166-I1170 VanDerWaalsContact O-CD1 3.22Å; Q1166-I1170 WeakPolarHBondContact O-CD1 3.49Å; Q1166-I1170 VanDerWaalsContact O-CG1 3.25Å; Q1166-I1170 WeakPolarHBondContact O-CG1 3.43Å; Y1167-I1170 PolarHBondContact O-N 3.36Å; Y1167-I1170 VanDerWaalsContact O-N 3.09Å; M1168-I1170 VanDerWaalsContact C-N 3.29Å; M1168-I1170 PolarHBondContact O-N 3.45Å
1171L28.8Very low49.4Very low142 Ų142127.6 Ų127.674%0.74363%0.631SS**SBendtrans-116.6113.7164-127.275.4000110.8K1173L1171-K1173 PolarHBondContact O-N 3.42Å
1172P35.4Very low48.6Very low123 Ų123128 Ų12880%0.79964%0.635SS**  trans-83.7119-166.323-14.5000111.5
1173K34.7Very low47.9Very low203 Ų203126.6 Ų126.688%0.88364%0.638SS**  trans-90.7109.4151.1-76.2-174.9177.5179.20106.6L1171 N1175L1171-K1173 PolarHBondContact O-N 3.42Å; K1173-N1175 PolarHBondContact O-N 2.91Å
1174G33.1Very low47.9Very low66 Ų66127.4 Ų127.468%0.6864%0.64SS**  trans-51.1129.5-175.600000111.5
1175N36.6Very low47.8Very low145 Ų145125.2 Ų125.278%0.77564%0.637SS**  trans-155.7105.8152.8-84.2-26.8000105.6K1173 E1177K1173-N1175 PolarHBondContact O-N 2.91Å; N1175-E1177 PolarHBondContact O-N 2.94Å
1176T45.1Very low48.2Very low118 Ų118124.3 Ų124.372%0.72464%0.635SS**THydrogen-bonded Turntrans-9.3-14.5172500000122.5E1180T1176-E1180 PolarHBondContact O-N 2.93Å
1177E45.8Very low49Very low147 Ų147124.3 Ų124.369%0.68763%0.633SS**Hα-helixtrans-78.9-27.7-177.3-74.1-177.7165.500113N1175 E1180 L1181N1175-E1177 PolarHBondContact O-N 2.94Å; E1177-E1180 PolarHBondContact O-N 3.04Å; E1177-L1181 PolarHBondContact O-N 3.28Å
1178N41.6Very low50.7Low106 Ų106120.3 Ų120.357%0.56762%0.622SS**Hα-helixtrans-77.4-32.2-178.5-143.620.6000112.3E1180 L1181 I1182N1178-E1180 VanDerWaalsContact C-N 3.3Å; N1178-L1181 PolarHBondContact O-N 3.44Å; N1178-I1182 WeakPolarHBondContact O-CB 3.4Å; N1178-I1182 VanDerWaalsContact O-CG1 3.28Å; N1178-I1182 WeakPolarHBondContact O-CG1 3.39Å; N1178-I1182 PolarHBondContact O-N 2.95Å
1179D40.9Very low52.4Low125 Ų125120.5 Ų120.567%0.66862%0.619SS**Hα-helixtrans-66.6-36.5169.1-76.8-19.7000110.4I1182 L1183D1179-I1182 PolarHBondContact O-N 3.36Å; D1179-L1183 WeakPolarHBondContact O-CB 3.46Å; D1179-L1183 PolarHBondContact O-N 2.97Å
1180E54.5Low54.2Low124 Ų124117.7 Ų117.758%0.57961%0.607SS**Hα-helixtrans-65.4-41.1173.2-166.7169.4-166.900111.4T1176 E1177 N1178 L1183 Q1184T1176-E1180 PolarHBondContact O-N 2.93Å; E1177-E1180 PolarHBondContact O-N 3.04Å; N1178-E1180 VanDerWaalsContact C-N 3.3Å; E1180-L1183 CarbonylContact O-C 3.58Å; E1180-L1183 PolarHBondContact O-N 3.07Å; E1180-Q1184 WeakPolarHBondContact O-CA 3.29Å; E1180-Q1184 WeakPolarHBondContact O-CB 3.41Å; E1180-Q1184 PolarHBondContact O-N 3.39Å
1181L52.4Low56.2Low100 Ų100117 Ų11752%0.52460%0.602SS.*Hα-helixtrans-67.1-40.3175.1-80.7167.5000113E1177 N1178 Q1184 I1185E1177-L1181 PolarHBondContact O-N 3.28Å; N1178-L1181 PolarHBondContact O-N 3.44Å; L1181-Q1184 PolarHBondContact O-N 2.92Å; L1181-I1185 WeakPolarHBondContact O-CB 3.39Å; L1181-I1185 WeakPolarHBondContact O-CG1 3.43Å; L1181-I1185 PolarHBondContact O-N 3.36Å
1182I61.4Low58.5Low91 Ų91114.4 Ų114.447%0.46759%0.589SS.*Hα-helixtrans-69.9-38.9176.3-67169.2000110.1N1178 D1179 Q1184 I1185 T1186N1178-I1182 WeakPolarHBondContact O-CB 3.4Å; N1178-I1182 VanDerWaalsContact O-CG1 3.28Å; N1178-I1182 WeakPolarHBondContact O-CG1 3.39Å; N1178-I1182 PolarHBondContact O-N 2.95Å; D1179-I1182 PolarHBondContact O-N 3.36Å; I1182-Q1184 VanDerWaalsContact C-N 3.34Å; I1182-I1185 PolarHBondContact O-N 3.4Å; I1182-T1186 VanDerWaalsContact O-CB 3.28Å; I1182-T1186 WeakPolarHBondContact O-CB 3.25Å; I1182-T1186 PolarHBondContact O-N 2.94Å; I1182-T1186 PolarHBondContact O-OG1 2.97Å
1183L65.4Low60.4Low128 Ų128111.4 Ų111.467%0.6757%0.574SS**Hα-helixtrans-67.7-36.2174.1-158.577.7000110.9D1179 E1180 T1186 K1187D1179-L1183 WeakPolarHBondContact O-CB 3.46Å; D1179-L1183 PolarHBondContact O-N 2.97Å; E1180-L1183 CarbonylContact O-C 3.58Å; E1180-L1183 PolarHBondContact O-N 3.07Å; L1183-T1186 PolarHBondContact O-N 3.35Å; L1183-K1187 WeakPolarHBondContact O-CA 3.48Å; L1183-K1187 WeakPolarHBondContact O-CB 3.21Å; L1183-K1187 PolarHBondContact O-N 3.47Å
1184Q69.9Low62.3Low94 Ų94106.2 Ų106.244%0.43955%0.553SS.*Hα-helixtrans-65.7-46.6173.5-166.391.76.300110.1E1180 L1181 I1182 T1186 K1187 L1188E1180-Q1184 WeakPolarHBondContact O-CA 3.29Å; E1180-Q1184 WeakPolarHBondContact O-CB 3.41Å; E1180-Q1184 PolarHBondContact O-N 3.39Å; L1181-Q1184 PolarHBondContact O-N 2.92Å; I1182-Q1184 VanDerWaalsContact C-N 3.34Å; Q1184-T1186 VanDerWaalsContact C-N 3.31Å; Q1184-T1186 PolarHBondContact O-N 2.88Å; Q1184-K1187 PolarHBondContact O-N 2.89Å; Q1184-L1188 HydrophobicContact CG-CD1 4.03Å; Q1184-L1188 HydrophobicContact CG-CG 4.45Å; Q1184-L1188 VanDerWaalsContact O-CB 3.23Å; Q1184-L1188 WeakPolarHBondContact O-CB 3.29Å; Q1184-L1188 WeakPolarHBondContact O-CG 3.48Å; Q1184-L1188 PolarHBondContact O-N 3.05Å
1185I68.3Low64.3Low86 Ų86107.5 Ų107.544%0.44154%0.544SS..Hα-helixtrans-64-39.8176.3-71.9165.7000110.1L1181 I1182 K1189L1181-I1185 WeakPolarHBondContact O-CB 3.39Å; L1181-I1185 WeakPolarHBondContact O-CG1 3.43Å; L1181-I1185 PolarHBondContact O-N 3.36Å; I1182-I1185 PolarHBondContact O-N 3.4Å; I1185-K1189 HydrophobicContact CG2-CD 4.13Å; I1185-K1189 HydrophobicContact CG2-CG 4.46Å; I1185-K1189 VanDerWaalsContact O-CB 3.24Å; I1185-K1189 WeakPolarHBondContact O-CB 3.29Å; I1185-K1189 WeakPolarHBondContact O-CG 3.37Å; I1185-K1189 PolarHBondContact O-N 2.69Å
1186T73.2Confident66Low60 Ų60109.6 Ų109.637%0.36854%0.541SS..Hα-helixtrans-71.4-36.4178.1-520000111.3I1182 L1183 Q1184 K1189 R1190I1182-T1186 VanDerWaalsContact O-CB 3.28Å; I1182-T1186 WeakPolarHBondContact O-CB 3.25Å; I1182-T1186 PolarHBondContact O-N 2.94Å; I1182-T1186 PolarHBondContact O-OG1 2.97Å; L1183-T1186 PolarHBondContact O-N 3.35Å; Q1184-T1186 VanDerWaalsContact C-N 3.31Å; Q1184-T1186 PolarHBondContact O-N 2.88Å; T1186-K1189 PolarHBondContact O-N 3.38Å; T1186-R1190 WeakPolarHBondContact O-CB 3.4Å; T1186-R1190 PolarHBondContact O-N 3.06Å
1187K79.9Confident67Low124 Ų124106.9 Ų106.954%0.53953%0.527SS..Hα-helixtrans-67.2-46.6173.5-172.3-179.2179.8-172.50110.7L1183 Q1184 K1189 R1190 E1191L1183-K1187 WeakPolarHBondContact O-CA 3.48Å; L1183-K1187 WeakPolarHBondContact O-CB 3.21Å; L1183-K1187 PolarHBondContact O-N 3.47Å; Q1184-K1187 PolarHBondContact O-N 2.89Å; K1187-K1189 VanDerWaalsContact C-N 3.32Å; K1187-K1189 PolarHBondContact O-N 2.99Å; K1187-R1190 PolarHBondContact O-N 3.4Å; K1187-E1191 WeakPolarHBondContact O-CB 3.45Å; K1187-E1191 PolarHBondContact O-N 3.43Å
1188L78.6Confident68.2Low81 Ų81105.7 Ų105.742%0.42452%0.519SS..Hα-helixtrans-64.7-33.8174.6-72.7171.4000112.1Q1184 N1192Q1184-L1188 HydrophobicContact CG-CD1 4.03Å; Q1184-L1188 HydrophobicContact CG-CG 4.45Å; Q1184-L1188 VanDerWaalsContact O-CB 3.23Å; Q1184-L1188 WeakPolarHBondContact O-CB 3.29Å; Q1184-L1188 WeakPolarHBondContact O-CG 3.48Å; Q1184-L1188 PolarHBondContact O-N 3.05Å; L1188-N1192 WeakPolarHBondContact O-CB 3.44Å; L1188-N1192 PolarHBondContact O-N 2.79Å; L1188-N1192 PolarHBondContact O-ND2 3.48Å
1189K77.1Confident69.6Low144 Ų144104.6 Ų104.663%0.62652%0.516SS*.Hα-helixtrans-69.8-41.4172.6-80.3179.4177.4-176.80111.8I1185 T1186 K1187 A1193I1185-K1189 HydrophobicContact CG2-CD 4.13Å; I1185-K1189 HydrophobicContact CG2-CG 4.46Å; I1185-K1189 VanDerWaalsContact O-CB 3.24Å; I1185-K1189 WeakPolarHBondContact O-CB 3.29Å; I1185-K1189 WeakPolarHBondContact O-CG 3.37Å; I1185-K1189 PolarHBondContact O-N 2.69Å; T1186-K1189 PolarHBondContact O-N 3.38Å; K1187-K1189 VanDerWaalsContact C-N 3.32Å; K1187-K1189 PolarHBondContact O-N 2.99Å; K1189-A1193 WeakPolarHBondContact O-CB 3.43Å; K1189-A1193 PolarHBondContact O-N 3.31Å
1190R77.8Confident70.4Confident154 Ų154103.8 Ų103.858%0.58151%0.511SS*.Hα-helixtrans-66.4-44.5175-171-175.8-59.61140.8111.2T1186 K1187 A1193 E1194T1186-R1190 WeakPolarHBondContact O-CB 3.4Å; T1186-R1190 PolarHBondContact O-N 3.06Å; K1187-R1190 PolarHBondContact O-N 3.4Å; R1190-A1193 PolarHBondContact O-N 2.83Å; R1190-E1194 VanDerWaalsContact O-CB 3.3Å; R1190-E1194 WeakPolarHBondContact O-CB 3.3Å; R1190-E1194 PolarHBondContact O-N 3.24Å
1191E80.2Confident70.2Confident96 Ų96102.9 Ų102.945%0.44951%0.51SS..Hα-helixtrans-66-39.7177.5-167.3170.5-15600110.7K1187 E1194 L1195K1187-E1191 WeakPolarHBondContact O-CB 3.45Å; K1187-E1191 PolarHBondContact O-N 3.43Å; E1191-E1194 PolarHBondContact O-N 3.47Å; E1191-L1195 HydrophobicContact CG-CD1 4.32Å; E1191-L1195 VanDerWaalsContact O-CB 3.25Å; E1191-L1195 WeakPolarHBondContact O-CB 3.32Å; E1191-L1195 WeakPolarHBondContact O-CG 3.4Å; E1191-L1195 PolarHBondContact O-N 2.88Å
1192N75.8Confident70.7Confident88 Ų88101.3 Ų101.347%0.47151%0.511SS..Hα-helixtrans-65.4-38.6170.7-89.2-59.8000113.1L1188 R1196L1188-N1192 WeakPolarHBondContact O-CB 3.44Å; L1188-N1192 PolarHBondContact O-N 2.79Å; L1188-N1192 PolarHBondContact O-ND2 3.48Å; N1192-R1196 WeakPolarHBondContact O-CB 3.39Å; N1192-R1196 VanDerWaalsContact O-CG 3.24Å; N1192-R1196 WeakPolarHBondContact O-CG 3.22Å; N1192-R1196 PolarHBondContact O-N 2.92Å
1193A76.2Confident70.4Confident59 Ų59100.3 Ų100.349%0.48851%0.505SS..Hα-helixtrans-68.8-38.3175.900000111.6K1189 R1190 R1196 S1197K1189-A1193 WeakPolarHBondContact O-CB 3.43Å; K1189-A1193 PolarHBondContact O-N 3.31Å; R1190-A1193 PolarHBondContact O-N 2.83Å; A1193-R1196 PolarHBondContact O-N 3.48Å; A1193-S1197 VanDerWaalsContact O-CB 3.28Å; A1193-S1197 WeakPolarHBondContact O-CB 3.37Å; A1193-S1197 PolarHBondContact O-N 2.92Å
1194E75.1Confident69.5Low95 Ų9597.5 Ų97.544%0.44449%0.493SS..Hα-helixtrans-71.1-39.2176.8-163.9-177.6160.400111.4R1190 E1191 S1197 K1198R1190-E1194 VanDerWaalsContact O-CB 3.3Å; R1190-E1194 WeakPolarHBondContact O-CB 3.3Å; R1190-E1194 PolarHBondContact O-N 3.24Å; E1191-E1194 PolarHBondContact O-N 3.47Å; E1194-S1197 PolarHBondContact O-N 3.39Å; E1194-K1198 HydrophobicContact CG-CD 4.36Å; E1194-K1198 VanDerWaalsContact O-CB 3.28Å; E1194-K1198 WeakPolarHBondContact O-CB 3.27Å; E1194-K1198 VanDerWaalsContact O-CG 3.31Å; E1194-K1198 WeakPolarHBondContact O-CG 3.32Å; E1194-K1198 PolarHBondContact O-N 3.04Å; E1194-K1198 WeakPolarHBondContact OE1-CE 3.26Å; E1194-K1198 IonicContact OE1-NZ 2.7Å; E1194-K1198 PolarHBondContact OE1-NZ 3.49Å
1195L74.2Confident68.4Low93 Ų9397.2 Ų97.249%0.48750%0.497SS..Hα-helixtrans-62.9-48170.8-75.3170.4000110.2E1191 S1197 K1198 T1199E1191-L1195 HydrophobicContact CG-CD1 4.32Å; E1191-L1195 VanDerWaalsContact O-CB 3.25Å; E1191-L1195 WeakPolarHBondContact O-CB 3.32Å; E1191-L1195 WeakPolarHBondContact O-CG 3.4Å; E1191-L1195 PolarHBondContact O-N 2.88Å; L1195-S1197 VanDerWaalsContact C-N 3.31Å; L1195-S1197 PolarHBondContact O-N 3.17Å; L1195-K1198 PolarHBondContact O-N 2.99Å; L1195-T1199 WeakPolarHBondContact O-CB 3.46Å; L1195-T1199 PolarHBondContact O-N 2.87Å; L1195-T1199 PolarHBondContact O-OG1 3.29Å
1196R72.2Confident67.4Low189 Ų18996.7 Ų96.771%0.71350%0.499SS*.Hα-helixtrans-59-40.8174.8-76.1177.5-179-170.2-0.2112.7N1192 A1193 L1200N1192-R1196 WeakPolarHBondContact O-CB 3.39Å; N1192-R1196 VanDerWaalsContact O-CG 3.24Å; N1192-R1196 WeakPolarHBondContact O-CG 3.22Å; N1192-R1196 PolarHBondContact O-N 2.92Å; A1193-R1196 PolarHBondContact O-N 3.48Å; R1196-L1200 WeakPolarHBondContact O-CB 3.28Å; R1196-L1200 PolarHBondContact O-N 3.5Å
1197S67.3Low65.9Low61 Ų6196.2 Ų96.243%0.42750%0.499SS..Hα-helixtrans-66.4-44.7175.6175.10000112.2A1193 E1194 L1195 L1200 L1201A1193-S1197 VanDerWaalsContact O-CB 3.28Å; A1193-S1197 WeakPolarHBondContact O-CB 3.37Å; A1193-S1197 PolarHBondContact O-N 2.92Å; E1194-S1197 PolarHBondContact O-N 3.39Å; L1195-S1197 VanDerWaalsContact C-N 3.31Å; L1195-S1197 PolarHBondContact O-N 3.17Å; S1197-L1200 PolarHBondContact O-N 2.88Å; S1197-L1201 WeakPolarHBondContact O-CB 3.39Å; S1197-L1201 WeakPolarHBondContact O-CG 3.29Å; S1197-L1201 PolarHBondContact O-N 3.38Å
1198K70Confident64.1Low121 Ų12195.3 Ų95.353%0.52650%0.498SS..Hα-helixtrans-66.1-38.5176-77.8177.7-177.1165.80111.8E1194 L1195 L1201 A1202E1194-K1198 HydrophobicContact CG-CD 4.36Å; E1194-K1198 VanDerWaalsContact O-CB 3.28Å; E1194-K1198 WeakPolarHBondContact O-CB 3.27Å; E1194-K1198 VanDerWaalsContact O-CG 3.31Å; E1194-K1198 WeakPolarHBondContact O-CG 3.32Å; E1194-K1198 PolarHBondContact O-N 3.04Å; E1194-K1198 WeakPolarHBondContact OE1-CE 3.26Å; E1194-K1198 IonicContact OE1-NZ 2.7Å; E1194-K1198 PolarHBondContact OE1-NZ 3.49Å; L1195-K1198 PolarHBondContact O-N 2.99Å; K1198-L1201 PolarHBondContact O-N 3.18Å; K1198-A1202 WeakPolarHBondContact O-CB 3.44Å; K1198-A1202 PolarHBondContact O-N 3.47Å
1199T71.6Confident62.3Low84 Ų8499.1 Ų99.152%0.51551%0.512SS..Hα-helixtrans-65.2-46.5174-51.90000110.2L1195 L1201 A1202 E1203L1195-T1199 WeakPolarHBondContact O-CB 3.46Å; L1195-T1199 PolarHBondContact O-N 2.87Å; L1195-T1199 PolarHBondContact O-OG1 3.29Å; T1199-L1201 PolarHBondContact O-N 2.72Å; T1199-A1202 PolarHBondContact O-N 2.99Å; T1199-E1203 VanDerWaalsContact O-CB 3.29Å; T1199-E1203 WeakPolarHBondContact O-CB 3.4Å; T1199-E1203 PolarHBondContact O-N 3.25Å
1200L57.6Low60.6Low107 Ų10795.5 Ų95.556%0.5651%0.509SS*.Hα-helixtrans-60.3-41.9174.9-110.2157.3000112.5R1196 S1197 E1203 V1204R1196-L1200 WeakPolarHBondContact O-CB 3.28Å; R1196-L1200 PolarHBondContact O-N 3.5Å; S1197-L1200 PolarHBondContact O-N 2.88Å; L1200-E1203 PolarHBondContact O-N 2.9Å; L1200-V1204 HydrophobicContact CD2-CG2 4.23Å; L1200-V1204 WeakPolarHBondContact O-CB 3.48Å; L1200-V1204 WeakPolarHBondContact O-CG2 3.42Å; L1200-V1204 PolarHBondContact O-N 3Å
1201L50.5Low58.7Low105 Ų10595.1 Ų95.155%0.5552%0.517SS..Hα-helixtrans-70.7-38.2176.6-74.4169.4000112.1S1197 K1198 T1199 E1203 V1205S1197-L1201 WeakPolarHBondContact O-CB 3.39Å; S1197-L1201 WeakPolarHBondContact O-CG 3.29Å; S1197-L1201 PolarHBondContact O-N 3.38Å; K1198-L1201 PolarHBondContact O-N 3.18Å; T1199-L1201 PolarHBondContact O-N 2.72Å; L1201-E1203 VanDerWaalsContact C-N 3.27Å; L1201-E1203 PolarHBondContact O-N 3.48Å; L1201-V1205 VanDerWaalsContact O-CB 3.23Å; L1201-V1205 WeakPolarHBondContact O-CB 3.47Å; L1201-V1205 WeakPolarHBondContact O-CG2 3.33Å; L1201-V1205 PolarHBondContact O-N 3.44Å
1202A61.7Low56.6Low67 Ų6795.6 Ų95.655%0.55453%0.527SS*.Hα-helixtrans-69.5-24.117600000112.8K1198 T1199 P1206K1198-A1202 WeakPolarHBondContact O-CB 3.44Å; K1198-A1202 PolarHBondContact O-N 3.47Å; T1199-A1202 PolarHBondContact O-N 2.99Å; A1202-P1206 WeakPolarHBondContact O-CD 3.5Å; A1202-P1206 WeakPolarHBondContact O-CG 3.46Å
1203E55.5Low54.6Low71 Ų7197.7 Ų97.733%0.33254%0.539SS..Hα-helixtrans-85.7-38.9176.7-161.1177.1-171.200111.6T1199 L1200 L1201 S1207T1199-E1203 VanDerWaalsContact O-CB 3.29Å; T1199-E1203 WeakPolarHBondContact O-CB 3.4Å; T1199-E1203 PolarHBondContact O-N 3.25Å; L1200-E1203 PolarHBondContact O-N 2.9Å; L1201-E1203 VanDerWaalsContact C-N 3.27Å; L1201-E1203 PolarHBondContact O-N 3.48Å; E1203-S1207 PolarHBondContact O-OG 2.99Å
1204V46.3Very low52.5Low68 Ų68101.5 Ų101.541%0.41255%0.55SS.*Hα-helixtrans-80.1-34.1-177.7176.80000112.5L1200 S1207 I1208L1200-V1204 HydrophobicContact CD2-CG2 4.23Å; L1200-V1204 WeakPolarHBondContact O-CB 3.48Å; L1200-V1204 WeakPolarHBondContact O-CG2 3.42Å; L1200-V1204 PolarHBondContact O-N 3Å; V1204-S1207 PolarHBondContact O-N 3.16Å; V1204-I1208 HydrophobicContact CG1-CD1 3.93Å; V1204-I1208 HydrophobicContact CG1-CG1 4.46Å; V1204-I1208 WeakPolarHBondContact O-CG1 3.5Å; V1204-I1208 PolarHBondContact O-N 3.46Å
1205V48.1Very low50.5Low88 Ų88102.7 Ų102.753%0.53357%0.569SS.*Hα-helixtrans-69.5-42.8-175.1172.10000113.4L1201 S1207 I1208 K1209L1201-V1205 VanDerWaalsContact O-CB 3.23Å; L1201-V1205 WeakPolarHBondContact O-CB 3.47Å; L1201-V1205 WeakPolarHBondContact O-CG2 3.33Å; L1201-V1205 PolarHBondContact O-N 3.44Å; V1205-S1207 VanDerWaalsContact C-N 3.34Å; V1205-I1208 PolarHBondContact O-N 3.32Å; V1205-K1209 PolarHBondContact O-N 2.94Å
1206P46.6Very low48.2Very low75 Ų75104.2 Ų104.249%0.48758%0.583SS.*Hα-helixtrans-66.7-34.7173.1-21.834.9000112.6A1202 I1208 K1209 A1210A1202-P1206 WeakPolarHBondContact O-CD 3.5Å; A1202-P1206 WeakPolarHBondContact O-CG 3.46Å; P1206-I1208 VanDerWaalsContact C-N 3.3Å; P1206-I1208 PolarHBondContact O-N 3.35Å; P1206-K1209 PolarHBondContact O-N 3.47Å; P1206-K1209 VanDerWaalsContact O-N 3.12Å; P1206-A1210 WeakPolarHBondContact O-CB 3.34Å; P1206-A1210 PolarHBondContact O-N 3.35Å
1207S41.9Very low46.3Very low51 Ų51103 Ų10336%0.35759%0.59SS.*Hα-helixtrans-64.7-32.7179.2-60.80000112.8E1203 V1204 V1205E1203-S1207 PolarHBondContact O-OG 2.99Å; V1204-S1207 PolarHBondContact O-N 3.16Å; V1205-S1207 VanDerWaalsContact C-N 3.34Å
1208I41.9Very low44.5Very low104 Ų104106.5 Ų106.553%0.53361%0.608SS.*Hα-helixtrans-75.8-34.4173.6-64171.8000111.4V1204 V1205 P1206 L1211V1204-I1208 HydrophobicContact CG1-CD1 3.93Å; V1204-I1208 HydrophobicContact CG1-CG1 4.46Å; V1204-I1208 WeakPolarHBondContact O-CG1 3.5Å; V1204-I1208 PolarHBondContact O-N 3.46Å; V1205-I1208 PolarHBondContact O-N 3.32Å; P1206-I1208 VanDerWaalsContact C-N 3.3Å; P1206-I1208 PolarHBondContact O-N 3.35Å; I1208-L1211 PolarHBondContact O-N 3.37Å
1209K40.6Very low42.6Very low161 Ų161108.9 Ų108.970%0.763%0.626SS**Hα-helixtrans-76-30-179.3-140.5173.8-174.2-179.50112.7V1205 P1206 L1211 T1212V1205-K1209 PolarHBondContact O-N 2.94Å; P1206-K1209 PolarHBondContact O-N 3.47Å; P1206-K1209 VanDerWaalsContact O-N 3.12Å; K1209-L1211 VanDerWaalsContact C-N 3.34Å; K1209-T1212 PolarHBondContact O-N 2.89Å; K1209-T1212 PolarHBondContact O-OG1 3.49Å
1210A41.3Very low40.5Very low69 Ų69110.6 Ų110.657%0.5763%0.632SS**Hα-helixtrans-70.8-28.2173.900000112.9P1206 T1212P1206-A1210 WeakPolarHBondContact O-CB 3.34Å; P1206-A1210 PolarHBondContact O-N 3.35Å; A1210-T1212 PolarHBondContact O-N 2.89Å
1211L37.7Very low39.3Very low145 Ų145112.8 Ų112.876%0.75964%0.639SS**THydrogen-bonded Turntrans-67.9-18177.7-117.789.2000113.8I1208 K1209I1208-L1211 PolarHBondContact O-N 3.37Å; K1209-L1211 VanDerWaalsContact C-N 3.34Å
1212T35.9Very low38.4Very low107 Ų107115.2 Ų115.266%0.65665%0.65SS**THydrogen-bonded Turntrans-89.4-14.5-175.221.80000115.4K1209 A1210K1209-T1212 PolarHBondContact O-N 2.89Å; K1209-T1212 PolarHBondContact O-OG1 3.49Å; A1210-T1212 PolarHBondContact O-N 2.89Å
1213N33.7Very low36.9Very low132 Ų132121.8 Ų121.871%0.70667%0.667SS**THydrogen-bonded Turntrans-116.6-6.6-167.6-73.44.2000117.4
1214N33.2Very low36Very low138 Ų138125.5 Ų125.574%0.73869%0.689SS**  trans-126.429.6-172.2-69.2-11.1000115.9T1216N1214-T1216 VanDerWaalsContact C-N 3.25Å; N1214-T1216 PolarHBondContact O-N 3.01Å; N1214-T1216 VanDerWaalsContact O-N 3.1Å
1215S32Very low35.3Very low120 Ų120130.5 Ų130.584%0.83971%0.713SS**  trans-82.266.9165.1-86.90000111.4
1216T26.7Very low34.7Very low125 Ų125129.7 Ų129.777%0.76772%0.722SS**  trans-159.384.8154.4-48.70000107.8N1214N1214-T1216 VanDerWaalsContact C-N 3.25Å; N1214-T1216 PolarHBondContact O-N 3.01Å; N1214-T1216 VanDerWaalsContact O-N 3.1Å
1217L32.1Very low34.1Very low165 Ų165133.2 Ų133.286%0.86474%0.737SS**  trans-126.6109.6163.2-78.2179.8000110.5
1218V30.6Very low33.8Very low134 Ų134137.5 Ų137.581%0.81276%0.756SS**  trans-46.9129.9162.6171.70000110.1
1219L29.8Very low33.5Very low171 Ų171140.7 Ų140.790%0.89577%0.774SS**  trans-111.395176-177.284.2000106.7
1220D27.8Very low33.2Very low120 Ų120140 Ų14064%0.64278%0.778SS**  trans-177.7148.4135.8-137.7-20.5000112
1221H31Very low33Very low153 Ų153141.2 Ų141.271%0.70878%0.78SS**  trans70.1105.2162-52.7-24.7000118.5
1222I32.4Very low32.8Very low155 Ų155141.8 Ų141.880%0.79578%0.781SS**  -160.4110.3122.3-86.4139.6000106.6N1224I1222-N1224 HydrophobicContact CG2-CB 4.28Å
1223K29.5Very low32.9Very low205 Ų205142.8 Ų142.889%0.89179%0.787SS**  trans-87.8120.8154-73.1179.1174.9-177.20105.5
1224N36.1Very low32.9Very low149 Ų149144.3 Ų144.380%0.79780%0.795SS**  trans-140.8109.2157.6-85.9-25.1000106.8I1222I1222-N1224 HydrophobicContact CG2-CB 4.28Å
1225D31.5Very low33.1Very low174 Ų174145.7 Ų145.793%0.9380%0.797SS**  trans-60.9145.3159.3-78.7-42.2000109.5
1226G35.6Very low33.6Very low70 Ų70147 Ų14772%0.72279%0.794SS**  trans171.977.7176.500000111.7
1227D35.8Very low34.1Very low149 Ų149149.6 Ų149.680%0.79780%0.801SS**  trans18.2121.8148.4-57.3-28.4000120.2
1228D33.8Very low34.9Very low142 Ų142145.3 Ų145.376%0.75979%0.786SS**  36.4105.7127.2-59.2-26.1000118.9
1229D37.2Very low35.6Very low170 Ų170146.4 Ų146.491%0.90978%0.779SS**  -174.7139.6114.5-93.4-32.1000111.7
1230D32.9Very low36.2Very low147 Ų147146.1 Ų146.179%0.78678%0.775SS**  trans-74.2-172.6-167.6-155.829.3000113
1231P37.3Very low37.4Very low94 Ų94145.2 Ų145.261%0.6177%0.77SS**  -120-176.4-91.536.5-20.5000113.4
1232M33.4Very low38.7Very low157 Ų157144 Ų14477%0.77377%0.765SS**  trans118142.8134.6-153.257.8168.600115.2
1233T38Very low40.7Very low128 Ų128141.9 Ų141.979%0.78575%0.754SS**SBendtrans72.793.5176.541.90000116.6
1234D34.2Very low42.7Very low165 Ų165133.6 Ų133.688%0.88273%0.727SS**SBend166.330.7107.9-146.813.4000115.2
1235Q37.3Very low44.3Very low166 Ų166131.3 Ų131.378%0.77671%0.714SS**  trans-128.445.7-174.9-132.6166.735.800114.7
1236I42.1Very low46.6Very low149 Ų149130.6 Ų130.676%0.76470%0.699SS**  trans-98-11.5175-64.5179.6000112.9S1238I1236-S1238 PolarHBondContact O-N 3.33Å
1237L36.8Very low48.6Very low178 Ų178132 Ų13293%0.93269%0.689SS**THydrogen-bonded Turntrans-87.61.2-177.9-146.271.1000115.8
1238S48.9Very low50.6Low76 Ų76127.4 Ų127.453%0.53167%0.672SS.*THydrogen-bonded Turntrans-112-0.7178.9-175.50000114.5I1236 H1242I1236-S1238 PolarHBondContact O-N 3.33Å; S1238-H1242 PolarHBondContact O-CD2 3.1Å
1239K45.6Very low52.8Low157 Ų157125.2 Ų125.268%0.68366%0.659SS**SBendtrans-93.2-14.8-176.7-73.9-174.1178.3178.10114.2
1240M44.1Very low54.8Low164 Ų164120.4 Ų120.481%0.80863%0.633SS**Hα-helixtrans-76.2-23.2-175.6-159146.4-177.800113.6
1241D52.3Low57.1Low101 Ų101116 Ų11654%0.5462%0.617SS.*Hα-helixtrans-90.4-20.3-176.9-64.1-10.5000113.5L1245D1241-L1245 WeakPolarHBondContact O-CB 3.28Å; D1241-L1245 PolarHBondContact O-N 3.41Å
1242H57.2Low59.2Low128 Ų128117 Ų11759%0.59362%0.616SS**Hα-helixtrans-71-32.3176.5-70.4-54.7000112.8S1238 R1246S1238-H1242 PolarHBondContact O-CD2 3.1Å; H1242-R1246 WeakPolarHBondContact O-CB 3.31Å; H1242-R1246 PolarHBondContact O-N 3.49Å
1243I74.7Confident61.5Low110 Ų110115.3 Ų115.356%0.56460%0.603SS**Hα-helixtrans-73.8-43.2178-63.7168.5000110.3R1246 N1247I1243-R1246 PolarHBondContact O-N 2.88Å; I1243-N1247 WeakPolarHBondContact O-CB 3.38Å; I1243-N1247 PolarHBondContact O-N 3.33Å; I1243-N1247 PolarHBondContact O-ND2 3.5Å; I1243-N1247 PolarHBondContact O-OD1 3.32Å
1244G72.8Confident63.8Low32 Ų32112.7 Ų112.733%0.3359%0.586SS.*Hα-helixtrans-59.8-48.2175.300000112.1R1246 N1247 A1248G1244-R1246 PolarHBondContact O-N 3.09Å; G1244-N1247 PolarHBondContact O-N 3.03Å; G1244-A1248 WeakPolarHBondContact O-CB 3.45Å; G1244-A1248 PolarHBondContact O-N 2.86Å
1245L69.7Low66.1Low100 Ų100108 Ų10852%0.52457%0.567SS.*Hα-helixtrans-64.5-40.7177.8-15682.3000112.2D1241 A1248 M1249D1241-L1245 WeakPolarHBondContact O-CB 3.28Å; D1241-L1245 PolarHBondContact O-N 3.41Å; L1245-A1248 PolarHBondContact O-N 3.33Å; L1245-M1249 WeakPolarHBondContact O-CB 3.27Å; L1245-M1249 PolarHBondContact O-N 3.39Å
1246R79.6Confident68.4Low160 Ų160101 Ų10160%0.60453%0.534SS*.Hα-helixtrans-60.9-48.3174.3172.462.584.2139.97.4111.1H1242 I1243 G1244 A1248 M1249 D1250H1242-R1246 WeakPolarHBondContact O-CB 3.31Å; H1242-R1246 PolarHBondContact O-N 3.49Å; I1243-R1246 PolarHBondContact O-N 2.88Å; G1244-R1246 PolarHBondContact O-N 3.09Å; R1246-A1248 PolarHBondContact O-N 2.95Å; R1246-M1249 PolarHBondContact O-N 3.4Å; R1246-D1250 WeakPolarHBondContact CD-OD2 3.31Å; R1246-D1250 WeakPolarHBondContact O-CB 3.23Å; R1246-D1250 VanDerWaalsContact O-CG 3.26Å; R1246-D1250 PolarHBondContact O-N 3.02Å
1247N77.3Confident70.6Confident98 Ų9898 Ų9852%0.52452%0.517SS..Hα-helixtrans-63.7-40179.7-70-12000111.9I1243 G1244 D1250 A1251I1243-N1247 WeakPolarHBondContact O-CB 3.38Å; I1243-N1247 PolarHBondContact O-N 3.33Å; I1243-N1247 PolarHBondContact O-ND2 3.5Å; I1243-N1247 PolarHBondContact O-OD1 3.32Å; G1244-N1247 PolarHBondContact O-N 3.03Å; N1247-D1250 PolarHBondContact O-N 3.41Å; N1247-A1251 VanDerWaalsContact O-CB 3.25Å; N1247-A1251 WeakPolarHBondContact O-CB 3.4Å; N1247-A1251 PolarHBondContact O-N 3.33Å
1248A77.9Confident73.1Confident53 Ų5393.4 Ų93.444%0.43850%0.499SS..Hα-helixtrans-65.4-40175.100000111.9G1244 L1245 R1246 A1251 L1252G1244-A1248 WeakPolarHBondContact O-CB 3.45Å; G1244-A1248 PolarHBondContact O-N 2.86Å; L1245-A1248 PolarHBondContact O-N 3.33Å; R1246-A1248 PolarHBondContact O-N 2.95Å; A1248-A1251 PolarHBondContact O-N 2.83Å; A1248-L1252 WeakPolarHBondContact O-CB 3.47Å; A1248-L1252 VanDerWaalsContact O-CG 3.3Å; A1248-L1252 WeakPolarHBondContact O-CG 3.45Å; A1248-L1252 PolarHBondContact O-N 3.37Å
1249M79.5Confident74.9Confident96 Ų9692.7 Ų92.747%0.47349%0.485SS..Hα-helixtrans-64.8-44.5175.1-173.165.9-178.300111.8L1245 R1246 L1252 Y1253 I1282L1245-M1249 WeakPolarHBondContact O-CB 3.27Å; L1245-M1249 PolarHBondContact O-N 3.39Å; R1246-M1249 PolarHBondContact O-N 3.4Å; M1249-L1252 PolarHBondContact O-N 2.94Å; M1249-Y1253 WeakPolarHBondContact O-CB 3.35Å; M1249-Y1253 PolarHBondContact O-N 3.5Å; M1249-I1282 HydrophobicContact CE-CG2 4.25Å
1250D79.5Confident76.9Confident70 Ų7085.9 Ų85.937%0.37446%0.455SS..Hα-helixtrans-66.9-37.6177.9-67.9-14.6000111.2R1246 N1247 Y1253 T1254R1246-D1250 WeakPolarHBondContact CD-OD2 3.31Å; R1246-D1250 WeakPolarHBondContact O-CB 3.23Å; R1246-D1250 VanDerWaalsContact O-CG 3.26Å; R1246-D1250 PolarHBondContact O-N 3.02Å; N1247-D1250 PolarHBondContact O-N 3.41Å; D1250-Y1253 PolarHBondContact O-N 3.21Å; D1250-T1254 WeakPolarHBondContact O-CB 3.46Å; D1250-T1254 WeakPolarHBondContact O-CG2 3.45Å; D1250-T1254 PolarHBondContact O-N 3.15Å; D1250-T1254 PolarHBondContact O-OG1 2.84Å
1251A80.7Confident79Confident55 Ų5581.8 Ų81.846%0.45544%0.437SS..Hα-helixtrans-64.7-40.6173.200000112.3N1247 A1248 T1254 S1255N1247-A1251 VanDerWaalsContact O-CB 3.25Å; N1247-A1251 WeakPolarHBondContact O-CB 3.4Å; N1247-A1251 PolarHBondContact O-N 3.33Å; A1248-A1251 PolarHBondContact O-N 2.83Å; A1251-T1254 WeakPolarHBondContact CA-OG1 3.38Å; A1251-T1254 PolarHBondContact O-OG1 3.45Å; A1251-S1255 VanDerWaalsContact O-CB 3.29Å; A1251-S1255 WeakPolarHBondContact O-CB 3.46Å; A1251-S1255 PolarHBondContact O-N 2.97Å; A1251-S1255 PolarHBondContact O-OG 3.41Å
1252L81Confident80.7Confident113 Ų11382 Ų8259%0.59244%0.437SS*.Hα-helixtrans-66.3-43.2174.3-73.7172.4000111.2A1248 M1249 S1255 E1256A1248-L1252 WeakPolarHBondContact O-CB 3.47Å; A1248-L1252 VanDerWaalsContact O-CG 3.3Å; A1248-L1252 WeakPolarHBondContact O-CG 3.45Å; A1248-L1252 PolarHBondContact O-N 3.37Å; M1249-L1252 PolarHBondContact O-N 2.94Å; L1252-S1255 PolarHBondContact O-N 3.3Å; L1252-S1255 PolarHBondContact O-OG 2.96Å; L1252-E1256 WeakPolarHBondContact O-CB 3.46Å; L1252-E1256 PolarHBondContact O-N 3.38Å
1253Y82.7Confident82.2Confident123 Ų12376.3 Ų76.348%0.48241%0.412SS..Hα-helixtrans-58.3-52.3176.4-177.9-88.7000111.6M1249 D1250 S1255 E1256 E1257 I1282M1249-Y1253 WeakPolarHBondContact O-CB 3.35Å; M1249-Y1253 PolarHBondContact O-N 3.5Å; D1250-Y1253 PolarHBondContact O-N 3.21Å; Y1253-S1255 PolarHBondContact O-N 2.93Å; Y1253-E1256 PolarHBondContact O-N 2.98Å; Y1253-E1257 VanDerWaalsContact CE1-OE2 3.26Å; Y1253-E1257 WeakPolarHBondContact CE1-OE2 3.31Å; Y1253-E1257 WeakPolarHBondContact O-CB 3.43Å; Y1253-E1257 PolarHBondContact O-N 3.17Å; Y1253-I1282 HydrophobicContact CD2-CD1 3.58Å; Y1253-I1282 HydrophobicContact CE2-CD1 4.27Å; Y1253-I1282 HydrophobicContact CG-CD1 4.47Å
1254T85.4Confident82.7Confident73 Ų7376 Ų7645%0.44840%0.404SS..Hα-helixtrans-62.9-39.9178.548.60000112D1250 A1251 E1256 E1257 C1258D1250-T1254 WeakPolarHBondContact O-CB 3.46Å; D1250-T1254 WeakPolarHBondContact O-CG2 3.45Å; D1250-T1254 PolarHBondContact O-N 3.15Å; D1250-T1254 PolarHBondContact O-OG1 2.84Å; A1251-T1254 WeakPolarHBondContact CA-OG1 3.38Å; A1251-T1254 PolarHBondContact O-OG1 3.45Å; T1254-E1256 VanDerWaalsContact C-N 3.35Å; T1254-E1256 PolarHBondContact O-N 3.07Å; T1254-E1257 PolarHBondContact O-N 2.78Å; T1254-C1258 WeakPolarHBondContact O-CB 3.22Å; T1254-C1258 PolarHBondContact O-N 3.05Å; T1254-C1258 PolarHBondContact O-SG 2.94Å
1255S83.3Confident83.4Confident67 Ų6777.3 Ų77.347%0.46941%0.408SS..Hα-helixtrans-63.3-39.117676.10000112.9A1251 L1252 Y1253 Y1259A1251-S1255 VanDerWaalsContact O-CB 3.29Å; A1251-S1255 WeakPolarHBondContact O-CB 3.46Å; A1251-S1255 PolarHBondContact O-N 2.97Å; A1251-S1255 PolarHBondContact O-OG 3.41Å; L1252-S1255 PolarHBondContact O-N 3.3Å; L1252-S1255 PolarHBondContact O-OG 2.96Å; Y1253-S1255 PolarHBondContact O-N 2.93Å; S1255-Y1259 PolarHBondContact O-N 3.31Å
1256E86.3Confident84.3Confident17 Ų1775.1 Ų75.18%0.07940%0.396CS..Hα-helixtrans-71.7-42.3177.7173.6155.5-118.800111.7L1252 Y1253 T1254 C1258 Y1259 L1260 S1280 L1281 I1282 R1296L1252-E1256 WeakPolarHBondContact O-CB 3.46Å; L1252-E1256 PolarHBondContact O-N 3.38Å; Y1253-E1256 PolarHBondContact O-N 2.98Å; T1254-E1256 VanDerWaalsContact C-N 3.35Å; T1254-E1256 PolarHBondContact O-N 3.07Å; E1256-C1258 VanDerWaalsContact C-N 3.31Å; E1256-C1258 PolarHBondContact O-N 3.4Å; E1256-Y1259 PolarHBondContact O-N 2.83Å; E1256-L1260 HydrophobicContact CG-CD1 4.09Å; E1256-L1260 HydrophobicContact CG-CG 4.4Å; E1256-L1260 WeakPolarHBondContact O-CG 3.4Å; E1256-L1260 PolarHBondContact O-N 3.34Å; E1256-S1280 WeakPolarHBondContact OE1-CA 3.44Å; E1256-S1280 WeakPolarHBondContact OE2-CA 3.29Å; E1256-S1280 WeakPolarHBondContact OE2-CB 3.49Å; E1256-S1280 PolarHBondContact OE2-OG 3.34Å; E1256-L1281 VanDerWaalsContact CD-N 3.31Å; E1256-L1281 WeakPolarHBondContact OE1-CB 3.45Å; E1256-L1281 PolarHBondContact OE1-N 2.84Å; E1256-L1281 PolarHBondContact OE2-N 2.99Å; E1256-L1281 VanDerWaalsContact OE2-N 3.17Å; E1256-I1282 WeakPolarHBondContact OE2-CG1 3.47Å; E1256-R1296 IonicContact OE1-CZ 3.43Å; E1256-R1296 IonicContact OE1-NH1 2.68Å; E1256-R1296 IonicContact OE1-NH2 2.83Å; E1256-R1296 PolarHBondContact OE1-NH2 2.89Å
1257E86.5Confident84.6Confident87 Ų8767.8 Ų67.841%0.40737%0.369SS..Hα-helixtrans-59.9-43.5174.5-174.8169.7-165.600111.1Y1253 T1254 L1260 N1261Y1253-E1257 VanDerWaalsContact CE1-OE2 3.26Å; Y1253-E1257 WeakPolarHBondContact CE1-OE2 3.31Å; Y1253-E1257 WeakPolarHBondContact O-CB 3.43Å; Y1253-E1257 PolarHBondContact O-N 3.17Å; T1254-E1257 PolarHBondContact O-N 2.78Å; E1257-L1260 PolarHBondContact O-N 3.35Å; E1257-N1261 VanDerWaalsContact O-CB 3.32Å; E1257-N1261 WeakPolarHBondContact O-CB 3.48Å; E1257-N1261 PolarHBondContact O-N 3.29Å; E1257-N1261 PolarHBondContact O-ND2 2.93Å
1258C89.7Confident85Confident82 Ų8267.7 Ų67.755%0.55437%0.372SS*.Hα-helixtrans-59.8-44.9173.4-750000112.6T1254 E1256 N1261 L1262T1254-C1258 WeakPolarHBondContact O-CB 3.22Å; T1254-C1258 PolarHBondContact O-N 3.05Å; T1254-C1258 PolarHBondContact O-SG 2.94Å; E1256-C1258 VanDerWaalsContact C-N 3.31Å; E1256-C1258 PolarHBondContact O-N 3.4Å; C1258-N1261 PolarHBondContact O-N 3.47Å; C1258-L1262 WeakPolarHBondContact O-CB 3.47Å; C1258-L1262 PolarHBondContact O-N 3.3Å
1259Y87.4Confident85.4Confident61 Ų6174.9 Ų74.924%0.23939%0.388CS..Hα-helixtrans-60-47.3175.1170.6-94.1000111.7S1255 E1256 N1261 L1262 V1263 R1296S1255-Y1259 PolarHBondContact O-N 3.31Å; E1256-Y1259 PolarHBondContact O-N 2.83Å; Y1259-N1261 VanDerWaalsContact C-N 3.34Å; Y1259-N1261 PolarHBondContact O-N 2.93Å; Y1259-L1262 PolarHBondContact O-N 3.47Å; Y1259-V1263 HydrophobicContact CD1-CG2 4.38Å; Y1259-V1263 HydrophobicContact CD2-CG2 4.3Å; Y1259-V1263 HydrophobicContact CE1-CG2 3.89Å; Y1259-V1263 HydrophobicContact CE2-CG2 3.82Å; Y1259-V1263 WeakPolarHBondContact O-CG2 3.23Å; Y1259-V1263 PolarHBondContact O-N 2.98Å; Y1259-R1296 HydrophobicContact CE1-CG 4.19Å; Y1259-R1296 WeakPolarHBondContact OH-CG 3.48Å
1260L86.8Confident85.6Confident13 Ų1371.7 Ų71.77%0.06837%0.373CS..Hα-helixtrans-65.6-38.3180-68.4174.8000111.6E1256 E1257 R1264 Q1278E1256-L1260 HydrophobicContact CG-CD1 4.09Å; E1256-L1260 HydrophobicContact CG-CG 4.4Å; E1256-L1260 WeakPolarHBondContact O-CG 3.4Å; E1256-L1260 PolarHBondContact O-N 3.34Å; E1257-L1260 PolarHBondContact O-N 3.35Å; L1260-R1264 WeakPolarHBondContact O-CB 3.34Å; L1260-R1264 VanDerWaalsContact O-CG 3.25Å; L1260-R1264 WeakPolarHBondContact O-CG 3.33Å; L1260-R1264 PolarHBondContact O-N 3.38Å; L1260-Q1278 HydrophobicContact CD2-CB 4.39Å
1261N88.2Confident85.8Confident78 Ų7875.2 Ų75.242%0.41739%0.391SS..Hα-helixtrans-65.6-41.8174.2-72.5-17.6000111.7E1257 C1258 Y1259 R1264 S1265E1257-N1261 VanDerWaalsContact O-CB 3.32Å; E1257-N1261 WeakPolarHBondContact O-CB 3.48Å; E1257-N1261 PolarHBondContact O-N 3.29Å; E1257-N1261 PolarHBondContact O-ND2 2.93Å; C1258-N1261 PolarHBondContact O-N 3.47Å; Y1259-N1261 VanDerWaalsContact C-N 3.34Å; Y1259-N1261 PolarHBondContact O-N 2.93Å; N1261-R1264 PolarHBondContact O-N 3.34Å; N1261-R1264 PolarHBondContact OD1-NH1 3.3Å; N1261-S1265 VanDerWaalsContact O-CB 3.32Å; N1261-S1265 WeakPolarHBondContact O-CB 3.36Å; N1261-S1265 PolarHBondContact O-N 3.46Å
1262L88.6Confident85.8Confident105 Ų10574.6 Ų74.655%0.5538%0.38SS..Hα-helixtrans-61.2-49.6174.917964.2000111.3C1258 Y1259 R1264 S1265 I1266C1258-L1262 WeakPolarHBondContact O-CB 3.47Å; C1258-L1262 PolarHBondContact O-N 3.3Å; Y1259-L1262 PolarHBondContact O-N 3.47Å; L1262-R1264 PolarHBondContact O-N 3.02Å; L1262-S1265 PolarHBondContact O-N 3.43Å; L1262-I1266 HydrophobicContact CD1-CD1 3.93Å; L1262-I1266 HydrophobicContact CD1-CG1 4.31Å; L1262-I1266 HydrophobicContact CG-CD1 3.93Å; L1262-I1266 WeakPolarHBondContact O-CG1 3.4Å; L1262-I1266 PolarHBondContact O-N 2.97Å
1263V87.8Confident85.7Confident10 Ų1076.5 Ų76.56%0.06139%0.391CS..Hα-helixtrans-63.8-42.4179173.60000111.1Y1259 I1266 S1267 L1275 Q1278 T1299Y1259-V1263 HydrophobicContact CD1-CG2 4.38Å; Y1259-V1263 HydrophobicContact CD2-CG2 4.3Å; Y1259-V1263 HydrophobicContact CE1-CG2 3.89Å; Y1259-V1263 HydrophobicContact CE2-CG2 3.82Å; Y1259-V1263 WeakPolarHBondContact O-CG2 3.23Å; Y1259-V1263 PolarHBondContact O-N 2.98Å; V1263-I1266 PolarHBondContact O-N 2.83Å; V1263-S1267 VanDerWaalsContact O-CB 3.25Å; V1263-S1267 WeakPolarHBondContact O-CB 3.44Å; V1263-S1267 PolarHBondContact O-N 2.91Å; V1263-L1275 HydrophobicContact CG1-CD1 3.95Å; V1263-Q1278 HydrophobicContact CG1-CG 4.31Å; V1263-T1299 HydrophobicContact CG1-CG2 4.44Å
1264R86.3Confident85.4Confident103 Ų10379.9 Ų79.939%0.38940%0.403SS..Hα-helixtrans-60.1-47174.1-76.1179.2-155.4116.70.4111.1L1260 N1261 L1262 I1266 S1267 T1268L1260-R1264 WeakPolarHBondContact O-CB 3.34Å; L1260-R1264 VanDerWaalsContact O-CG 3.25Å; L1260-R1264 WeakPolarHBondContact O-CG 3.33Å; L1260-R1264 PolarHBondContact O-N 3.38Å; N1261-R1264 PolarHBondContact O-N 3.34Å; N1261-R1264 PolarHBondContact OD1-NH1 3.3Å; L1262-R1264 PolarHBondContact O-N 3.02Å; R1264-I1266 PolarHBondContact O-N 3.48Å; R1264-S1267 WeakPolarHBondContact O-CB 3.2Å; R1264-S1267 PolarHBondContact O-N 2.97Å; R1264-T1268 VanDerWaalsContact O-CG2 3.28Å; R1264-T1268 WeakPolarHBondContact O-CG2 3.48Å; R1264-T1268 PolarHBondContact O-N 3.44Å; R1264-T1268 PolarHBondContact O-OG1 3.13Å; R1264-T1268 VanDerWaalsContact O-OG1 3.11Å
1265S88.1Confident85.3Confident60 Ų6076.8 Ų76.842%0.4238%0.384SS..Hα-helixtrans-59-48.2178.1-175.40000111.2N1261 L1262 S1267 T1268 R1269N1261-S1265 VanDerWaalsContact O-CB 3.32Å; N1261-S1265 WeakPolarHBondContact O-CB 3.36Å; N1261-S1265 PolarHBondContact O-N 3.46Å; L1262-S1265 PolarHBondContact O-N 3.43Å; S1265-S1267 PolarHBondContact O-N 2.89Å; S1265-T1268 WeakPolarHBondContact CA-OG1 3.45Å; S1265-T1268 PolarHBondContact O-N 2.94Å; S1265-T1268 PolarHBondContact O-OG1 3.1Å; S1265-R1269 WeakPolarHBondContact O-CB 3.36Å; S1265-R1269 VanDerWaalsContact O-CG 3.22Å; S1265-R1269 WeakPolarHBondContact O-CG 3.24Å; S1265-R1269 PolarHBondContact O-N 3.04Å
1266I86.9Confident85.2Confident54 Ų5476.7 Ų76.728%0.27738%0.381SS..Hα-helixtrans-62.6-45.4177.6-65.1169.2000110.8L1262 V1263 R1264 T1268 R1269 L1270 L1303L1262-I1266 HydrophobicContact CD1-CD1 3.93Å; L1262-I1266 HydrophobicContact CD1-CG1 4.31Å; L1262-I1266 HydrophobicContact CG-CD1 3.93Å; L1262-I1266 WeakPolarHBondContact O-CG1 3.4Å; L1262-I1266 PolarHBondContact O-N 2.97Å; V1263-I1266 PolarHBondContact O-N 2.83Å; R1264-I1266 PolarHBondContact O-N 3.48Å; I1266-T1268 VanDerWaalsContact C-N 3.33Å; I1266-T1268 PolarHBondContact O-N 3.14Å; I1266-R1269 PolarHBondContact O-N 2.97Å; I1266-R1269 VanDerWaalsContact O-N 3.16Å; I1266-L1270 HydrophobicContact CG2-CD1 3.6Å; I1266-L1270 HydrophobicContact CG2-CG 4.15Å; I1266-L1270 WeakPolarHBondContact O-CB 3.47Å; I1266-L1270 WeakPolarHBondContact O-CG 3.35Å; I1266-L1270 PolarHBondContact O-N 3.01Å; I1266-L1303 HydrophobicContact CG2-CD1 4.15Å; I1266-L1303 HydrophobicContact CG2-CD2 3.63Å; I1266-L1303 HydrophobicContact CG2-CG 4.49Å
1267S85.9Confident84.8Confident6 Ų676 Ų764%0.04238%0.38CS..Hα-helixtrans-55.6-47.7176.7-156.30000111.2V1263 R1264 S1265 R1269 L1270 D1271 L1272 D1273V1263-S1267 VanDerWaalsContact O-CB 3.25Å; V1263-S1267 WeakPolarHBondContact O-CB 3.44Å; V1263-S1267 PolarHBondContact O-N 2.91Å; R1264-S1267 WeakPolarHBondContact O-CB 3.2Å; R1264-S1267 PolarHBondContact O-N 2.97Å; S1265-S1267 PolarHBondContact O-N 2.89Å; S1267-R1269 VanDerWaalsContact C-N 3.34Å; S1267-R1269 PolarHBondContact O-N 3.2Å; S1267-L1270 PolarHBondContact O-N 3.49Å; S1267-D1271 PolarHBondContact O-N 3.33Å; S1267-L1272 PolarHBondContact O-N 3.38Å; S1267-L1272 PolarHBondContact OG-O 3.42Å; S1267-D1273 PolarHBondContact OG-O 2.84Å; S1267-D1273 VanDerWaalsContact OG-O 3.1Å
1268T86Confident84.5Confident95 Ų9573 Ų7358%0.58337%0.365SS*.Hα-helixtrans-68.9-27.9179.457.40000113.7R1264 S1265 I1266R1264-T1268 VanDerWaalsContact O-CG2 3.28Å; R1264-T1268 WeakPolarHBondContact O-CG2 3.48Å; R1264-T1268 PolarHBondContact O-N 3.44Å; R1264-T1268 PolarHBondContact O-OG1 3.13Å; R1264-T1268 VanDerWaalsContact O-OG1 3.11Å; S1265-T1268 WeakPolarHBondContact CA-OG1 3.45Å; S1265-T1268 PolarHBondContact O-N 2.94Å; S1265-T1268 PolarHBondContact O-OG1 3.1Å; I1266-T1268 VanDerWaalsContact C-N 3.33Å; I1266-T1268 PolarHBondContact O-N 3.14Å
1269R87.2Confident84.1Confident204 Ų20476.1 Ų76.177%0.7737%0.366SS*.Hα-helixtrans-86.3-22.5179.3-67.2-64.1-176.8-167.2-0.9113.2S1265 I1266 S1267S1265-R1269 WeakPolarHBondContact O-CB 3.36Å; S1265-R1269 VanDerWaalsContact O-CG 3.22Å; S1265-R1269 WeakPolarHBondContact O-CG 3.24Å; S1265-R1269 PolarHBondContact O-N 3.04Å; I1266-R1269 PolarHBondContact O-N 2.97Å; I1266-R1269 VanDerWaalsContact O-N 3.16Å; S1267-R1269 VanDerWaalsContact C-N 3.34Å; S1267-R1269 PolarHBondContact O-N 3.2Å
1270L84.3Confident83.6Confident29 Ų2974.5 Ų74.515%0.15236%0.363CS..THydrogen-bonded Turntrans-98.97.5177.2-63.6-177.8000113I1266 S1267 L1272 L1303 I1307 L1310I1266-L1270 HydrophobicContact CG2-CD1 3.6Å; I1266-L1270 HydrophobicContact CG2-CG 4.15Å; I1266-L1270 WeakPolarHBondContact O-CB 3.47Å; I1266-L1270 WeakPolarHBondContact O-CG 3.35Å; I1266-L1270 PolarHBondContact O-N 3.01Å; S1267-L1270 PolarHBondContact O-N 3.49Å; L1270-L1272 HydrophobicContact CB-CD1 4.23Å; L1270-L1272 HydrophobicContact CB-CG 4.12Å; L1270-L1272 PolarHBondContact O-N 3.23Å; L1270-L1303 HydrophobicContact CD1-CD2 3.78Å; L1270-I1307 HydrophobicContact CD1-CG1 4.17Å; L1270-L1310 HydrophobicContact CD2-CD1 3.54Å
1271D82.6Confident82.9Confident144 Ų14476.7 Ų76.777%0.7738%0.375SS*.THydrogen-bonded Turntrans50.941-175.3-57.7-36.3000113S1267S1267-D1271 PolarHBondContact O-N 3.33Å
1272L80.8Confident81.9Confident42 Ų4276.5 Ų76.522%0.2237%0.373CS..  trans-97.5132.8173.2-61.8176.1000109.6S1267 L1270 L1275 L1303 R1306S1267-L1272 PolarHBondContact O-N 3.38Å; S1267-L1272 PolarHBondContact OG-O 3.42Å; L1270-L1272 HydrophobicContact CB-CD1 4.23Å; L1270-L1272 HydrophobicContact CB-CG 4.12Å; L1270-L1272 PolarHBondContact O-N 3.23Å; L1272-L1275 HydrophobicContact CB-CD2 4.33Å; L1272-L1275 HydrophobicContact CD1-CD2 4.26Å; L1272-L1303 HydrophobicContact CD1-CD2 3.51Å; L1272-R1306 HydrophobicContact CD1-CG 4.46Å
1273D79.8Confident80.7Confident153 Ų15379.7 Ų79.782%0.81839%0.385SS*.  trans-58.6-179.9170.3-76.2-35.5000112S1267 L1275S1267-D1273 PolarHBondContact OG-O 2.84Å; S1267-D1273 VanDerWaalsContact OG-O 3.1Å; D1273-L1275 PolarHBondContact O-N 2.89Å
1274R76.5Confident79.8Confident194 Ų19479.7 Ų79.773%0.73239%0.385SS*.  trans-53105-179.3-166.4-178.9-129-84.92.2112.1
1275L82.2Confident79.3Confident8 Ų878.4 Ų78.44%0.04239%0.39CS..  trans-67.6142.5177.2-62.9164.8000111.2V1263 L1272 D1273 Q1278 T1299 L1302 L1303V1263-L1275 HydrophobicContact CG1-CD1 3.95Å; L1272-L1275 HydrophobicContact CB-CD2 4.33Å; L1272-L1275 HydrophobicContact CD1-CD2 4.26Å; D1273-L1275 PolarHBondContact O-N 2.89Å; L1275-Q1278 VanDerWaalsContact O-CG 3.25Å; L1275-Q1278 WeakPolarHBondContact O-CG 3.25Å; L1275-T1299 HydrophobicContact CB-CG2 3.64Å; L1275-T1299 HydrophobicContact CD1-CG2 3.66Å; L1275-T1299 HydrophobicContact CD2-CG2 4.16Å; L1275-T1299 HydrophobicContact CG-CG2 4Å; L1275-L1302 HydrophobicContact CD2-CD2 3.82Å; L1275-L1303 HydrophobicContact CD1-CD1 4.15Å; L1275-L1303 HydrophobicContact CD1-CD2 4Å; L1275-L1303 HydrophobicContact CD1-CG 4.19Å
1276P80.2Confident78.3Confident65 Ų6583 Ų8342%0.42240%0.402SS..THydrogen-bonded Turntrans-63.4159.6175.125.4-30.9000111.6Q1278 E1295 T1299P1276-Q1278 VanDerWaalsContact C-N 3.3Å; P1276-Q1278 PolarHBondContact O-N 2.94Å; P1276-E1295 HydrophobicContact CB-CB 4.15Å; P1276-E1295 HydrophobicContact CB-CG 4.27Å; P1276-T1299 PolarHBondContact O-OG1 3.44Å
1277G78.7Confident77.5Confident4 Ų488.5 Ų88.54%0.04143%0.429CS..THydrogen-bonded Turntrans78.35178.800000116.1R1279 E1295 R1296G1277-R1279 PolarHBondContact O-N 2.8Å; G1277-R1279 VanDerWaalsContact O-N 3.07Å; G1277-E1295 VanDerWaalsContact CA-OE2 3.23Å; G1277-E1295 WeakPolarHBondContact CA-OE2 3.45Å; G1277-E1295 PolarHBondContact N-OE2 2.77Å; G1277-R1296 WeakPolarHBondContact O-CG 3.47Å; G1277-R1296 PolarHBondContact O-NE 3.32Å
1278Q80.5Confident77Confident22 Ų2292.5 Ų92.510%0.10345%0.447CS..  trans-74.419.3174.6-71.8-177.4-6.900114.5L1260 V1263 L1275 P1276L1260-Q1278 HydrophobicContact CD2-CB 4.39Å; V1263-Q1278 HydrophobicContact CG1-CG 4.31Å; L1275-Q1278 VanDerWaalsContact O-CG 3.25Å; L1275-Q1278 WeakPolarHBondContact O-CG 3.25Å; P1276-Q1278 VanDerWaalsContact C-N 3.3Å; P1276-Q1278 PolarHBondContact O-N 2.94Å
1279R81.6Confident76.7Confident149 Ų14993.2 Ų93.256%0.56244%0.439SS*.SBendtrans-88.8143174.2-60.9177.9-174.2175.53.4109.3G1277 V1284 R1296G1277-R1279 PolarHBondContact O-N 2.8Å; G1277-R1279 VanDerWaalsContact O-N 3.07Å; R1279-V1284 HydrophobicContact CB-CG2 4.43Å; R1279-R1296 PolarHBondContact O-NH2 3.5Å
1280S76Confident76.3Confident27 Ų2787.2 Ų87.219%0.18942%0.42CS..  trans-70.3128.4172.7165.50000110E1256 I1282 Q1283 V1284E1256-S1280 WeakPolarHBondContact OE1-CA 3.44Å; E1256-S1280 WeakPolarHBondContact OE2-CA 3.29Å; E1256-S1280 WeakPolarHBondContact OE2-CB 3.49Å; E1256-S1280 PolarHBondContact OE2-OG 3.34Å; S1280-I1282 PolarHBondContact O-N 3.09Å; S1280-I1282 WeakPolarHBondContact OG-CB 3.41Å; S1280-I1282 PolarHBondContact OG-N 3.01Å; S1280-Q1283 PolarHBondContact O-N 3.38Å; S1280-V1284 VanDerWaalsContact O-CG2 3.3Å; S1280-V1284 WeakPolarHBondContact O-CG2 3.44Å
1281L72.2Confident76.2Confident59 Ų5989 Ų8931%0.30943%0.432SS..G310 helixtrans-61.7-18.8175.7-78.9158.2000112.3E1256 Q1283 V1284 R1289 V1292E1256-L1281 VanDerWaalsContact CD-N 3.31Å; E1256-L1281 WeakPolarHBondContact OE1-CB 3.45Å; E1256-L1281 PolarHBondContact OE1-N 2.84Å; E1256-L1281 PolarHBondContact OE2-N 2.99Å; E1256-L1281 VanDerWaalsContact OE2-N 3.17Å; L1281-Q1283 VanDerWaalsContact C-N 3.33Å; L1281-V1284 PolarHBondContact O-N 2.95Å; L1281-R1289 HydrophobicContact CD2-CB 4Å; L1281-R1289 HydrophobicContact CD2-CG 3.94Å; L1281-V1292 HydrophobicContact CD2-CB 4.43Å; L1281-V1292 HydrophobicContact CD2-CG1 4.24Å; L1281-V1292 HydrophobicContact CG-CG1 4.46Å
1282I67.7Low76.2Confident73 Ų7382.2 Ų82.237%0.37440%0.396SS..G310 helixtrans-63-40.4176.6-61.6162.2000110.8M1249 Y1253 E1256 S1280M1249-I1282 HydrophobicContact CE-CG2 4.25Å; Y1253-I1282 HydrophobicContact CD2-CD1 3.58Å; Y1253-I1282 HydrophobicContact CE2-CD1 4.27Å; Y1253-I1282 HydrophobicContact CG-CD1 4.47Å; E1256-I1282 WeakPolarHBondContact OE2-CG1 3.47Å; S1280-I1282 PolarHBondContact O-N 3.09Å; S1280-I1282 WeakPolarHBondContact OG-CB 3.41Å; S1280-I1282 PolarHBondContact OG-N 3.01Å
1283Q64.1Low76.4Confident172 Ų17288 Ų8880%0.80441%0.414SS*.G310 helixtrans-90.10.7-174.6-65.3176.7-0.300113.5S1280 L1281S1280-Q1283 PolarHBondContact O-N 3.38Å; L1281-Q1283 VanDerWaalsContact C-N 3.33Å
1284V68.2Low76.6Confident10 Ų1086.9 Ų86.96%0.06140%0.402CS..SBendtrans-107.3122-168.5178.40000110.8R1279 S1280 L1281 E1288 R1289 V1292R1279-V1284 HydrophobicContact CB-CG2 4.43Å; S1280-V1284 VanDerWaalsContact O-CG2 3.3Å; S1280-V1284 WeakPolarHBondContact O-CG2 3.44Å; L1281-V1284 PolarHBondContact O-N 2.95Å; V1284-E1288 VanDerWaalsContact CG1-C 3.44Å; V1284-E1288 HydrophobicContact CG1-CB 3.23Å; V1284-R1289 HydrophobicContact CB-CG 4.47Å; V1284-R1289 HydrophobicContact CG1-CG 4.19Å; V1284-R1289 PolarHBondContact O-NE 2.87Å; V1284-R1289 VanDerWaalsContact O-NE 3.15Å; V1284-V1292 HydrophobicContact CG1-CG2 4.01Å; V1284-V1292 HydrophobicContact CG2-CG2 4.17Å
1285P76Confident77.2Confident76 Ų7680.3 Ų80.349%0.49438%0.38SS..  trans-53149.2175.2-26.534.4000112.5M1287 E1288 R1289P1285-M1287 PolarHBondContact O-N 3.22Å; P1285-E1288 PolarHBondContact O-N 3.46Å; P1285-R1289 PolarHBondContact O-N 2.92Å; P1285-R1289 VanDerWaalsContact O-N 3.14Å
1286K66Low77.5Confident156 Ų15681.5 Ų81.568%0.67838%0.384SS*.Hα-helixtrans-49.3-37.8-175.5-71.5-177-179.8177.20113.9R1289K1286-R1289 PolarHBondContact O-N 2.93Å
1287M71.5Confident77.8Confident170 Ų17083 Ų8384%0.83739%0.385SS*.Hα-helixtrans-66.8-34.7178.3-71.6-66.6-67.300113.2P1285P1285-M1287 PolarHBondContact O-N 3.22Å
1288E75.1Confident78.3Confident91 Ų9186.2 Ų86.243%0.42540%0.404SS..Hα-helixtrans-86.2-13.3179.2-71.2-177.2-175.200112.7V1284 P1285 E1290 T1291 V1292V1284-E1288 VanDerWaalsContact CG1-C 3.44Å; V1284-E1288 HydrophobicContact CG1-CB 3.23Å; P1285-E1288 PolarHBondContact O-N 3.46Å; E1288-E1290 PolarHBondContact O-N 3.49Å; E1288-T1291 PolarHBondContact O-N 2.96Å; E1288-T1291 PolarHBondContact O-OG1 3.33Å; E1288-V1292 PolarHBondContact O-N 2.84Å
1289R80.1Confident78.6Confident110 Ų11085.2 Ų85.242%0.41540%0.399SS..Hα-helixtrans-61.5-32175.2-65.8-178.2-172.3179.2-3.8112L1281 V1284 P1285 K1286 R1293L1281-R1289 HydrophobicContact CD2-CB 4Å; L1281-R1289 HydrophobicContact CD2-CG 3.94Å; V1284-R1289 HydrophobicContact CB-CG 4.47Å; V1284-R1289 HydrophobicContact CG1-CG 4.19Å; V1284-R1289 PolarHBondContact O-NE 2.87Å; V1284-R1289 VanDerWaalsContact O-NE 3.15Å; P1285-R1289 PolarHBondContact O-N 2.92Å; P1285-R1289 VanDerWaalsContact O-N 3.14Å; K1286-R1289 PolarHBondContact O-N 2.93Å; R1289-R1293 WeakPolarHBondContact O-CB 3.3Å; R1289-R1293 PolarHBondContact O-N 2.88Å
1290E78.7Confident78.8Confident78 Ų7881.7 Ų81.736%0.36439%0.391SS..Hα-helixtrans-69.9-32.9175.1-172.756.2-152.700111.9E1288 R1293 K1294E1288-E1290 PolarHBondContact O-N 3.49Å; E1290-R1293 IonicContact OE2-CZ 3.8Å; E1290-R1293 IonicContact OE2-NH1 3.84Å; E1290-R1293 PolarHBondContact OE2-NH1 3.1Å; E1290-K1294 WeakPolarHBondContact O-CG 3.43Å; E1290-K1294 PolarHBondContact O-N 2.92Å; E1290-K1294 WeakPolarHBondContact OE1-CE 3.24Å
1291T81.5Confident79.4Confident67 Ų6785.6 Ų85.641%0.41141%0.406SS..Hα-helixtrans-70.8-44.5174.863.70000110.6E1288 R1293 K1294 E1295E1288-T1291 PolarHBondContact O-N 2.96Å; E1288-T1291 PolarHBondContact O-OG1 3.33Å; T1291-R1293 VanDerWaalsContact C-N 3.31Å; T1291-R1293 PolarHBondContact O-N 3.33Å; T1291-K1294 PolarHBondContact O-N 3.32Å; T1291-K1294 VanDerWaalsContact O-N 3.16Å; T1291-E1295 WeakPolarHBondContact O-CG 3.43Å; T1291-E1295 PolarHBondContact O-N 2.93Å
1292V83.4Confident80.1Confident1 Ų186.9 Ų86.91%0.00641%0.413CS..Hα-helixtrans-61.3-38.8174.6176.50000111.5L1281 V1284 E1288 E1295 R1296L1281-V1292 HydrophobicContact CD2-CB 4.43Å; L1281-V1292 HydrophobicContact CD2-CG1 4.24Å; L1281-V1292 HydrophobicContact CG-CG1 4.46Å; V1284-V1292 HydrophobicContact CG1-CG2 4.01Å; V1284-V1292 HydrophobicContact CG2-CG2 4.17Å; E1288-V1292 PolarHBondContact O-N 2.84Å; V1292-E1295 PolarHBondContact O-N 3.01Å; V1292-R1296 HydrophobicContact CG1-CG 4.41Å; V1292-R1296 WeakPolarHBondContact O-CB 3.27Å; V1292-R1296 VanDerWaalsContact O-CG 3.3Å; V1292-R1296 WeakPolarHBondContact O-CG 3.45Å; V1292-R1296 PolarHBondContact O-N 3.44Å
1293R83.8Confident81.1Confident163 Ų16384.1 Ų84.162%0.61540%0.399SS*.Hα-helixtrans-59.9-47.4173.7178.1-174.8-77.6146.9-8.9111.4R1289 E1290 T1291 R1296 Q1297R1289-R1293 WeakPolarHBondContact O-CB 3.3Å; R1289-R1293 PolarHBondContact O-N 2.88Å; E1290-R1293 IonicContact OE2-CZ 3.8Å; E1290-R1293 IonicContact OE2-NH1 3.84Å; E1290-R1293 PolarHBondContact OE2-NH1 3.1Å; T1291-R1293 VanDerWaalsContact C-N 3.31Å; T1291-R1293 PolarHBondContact O-N 3.33Å; R1293-R1296 PolarHBondContact O-N 3.41Å; R1293-Q1297 PolarHBondContact O-N 3.12Å
1294K85.1Confident82.3Confident129 Ų12979 Ų7956%0.56138%0.382SS*.Hα-helixtrans-63.1-43.4177.2-72.5174.9-178.3-179.70111.8E1290 T1291 R1296 Q1297 T1298E1290-K1294 WeakPolarHBondContact O-CG 3.43Å; E1290-K1294 PolarHBondContact O-N 2.92Å; E1290-K1294 WeakPolarHBondContact OE1-CE 3.24Å; T1291-K1294 PolarHBondContact O-N 3.32Å; T1291-K1294 VanDerWaalsContact O-N 3.16Å; K1294-R1296 PolarHBondContact O-N 3.43Å; K1294-Q1297 WeakPolarHBondContact O-CB 3.39Å; K1294-Q1297 PolarHBondContact O-N 3.34Å; K1294-T1298 WeakPolarHBondContact O-CG2 3.48Å; K1294-T1298 PolarHBondContact O-N 3.32Å; K1294-T1298 PolarHBondContact O-OG1 2.7Å
1295E87.7Confident83.2Confident57 Ų5783.7 Ų83.727%0.26640%0.403SS..Hα-helixtrans-60.1-43.2175.3-73.2176.6-166.700112.2P1276 G1277 T1291 V1292 T1298 T1299P1276-E1295 HydrophobicContact CB-CB 4.15Å; P1276-E1295 HydrophobicContact CB-CG 4.27Å; G1277-E1295 VanDerWaalsContact CA-OE2 3.23Å; G1277-E1295 WeakPolarHBondContact CA-OE2 3.45Å; G1277-E1295 PolarHBondContact N-OE2 2.77Å; T1291-E1295 WeakPolarHBondContact O-CG 3.43Å; T1291-E1295 PolarHBondContact O-N 2.93Å; V1292-E1295 PolarHBondContact O-N 3.01Å; E1295-T1298 WeakPolarHBondContact CA-OG1 3.46Å; E1295-T1298 PolarHBondContact O-N 3.34Å; E1295-T1298 PolarHBondContact O-OG1 3.04Å; E1295-T1299 WeakPolarHBondContact O-CB 3.35Å; E1295-T1299 PolarHBondContact O-N 3.19Å; E1295-T1299 PolarHBondContact O-OG1 3.5Å
1296R90.5Very high83.8Confident32 Ų3284 Ų8412%0.12139%0.394CS..Hα-helixtrans-64.6-39175-71.9179.8-178.9-174.66111.8E1256 Y1259 G1277 R1279 V1292 R1293 K1294 T1299 I1300E1256-R1296 IonicContact OE1-CZ 3.43Å; E1256-R1296 IonicContact OE1-NH1 2.68Å; E1256-R1296 IonicContact OE1-NH2 2.83Å; E1256-R1296 PolarHBondContact OE1-NH2 2.89Å; Y1259-R1296 HydrophobicContact CE1-CG 4.19Å; Y1259-R1296 WeakPolarHBondContact OH-CG 3.48Å; G1277-R1296 WeakPolarHBondContact O-CG 3.47Å; G1277-R1296 PolarHBondContact O-NE 3.32Å; R1279-R1296 PolarHBondContact O-NH2 3.5Å; V1292-R1296 HydrophobicContact CG1-CG 4.41Å; V1292-R1296 WeakPolarHBondContact O-CB 3.27Å; V1292-R1296 VanDerWaalsContact O-CG 3.3Å; V1292-R1296 WeakPolarHBondContact O-CG 3.45Å; V1292-R1296 PolarHBondContact O-N 3.44Å; R1293-R1296 PolarHBondContact O-N 3.41Å; K1294-R1296 PolarHBondContact O-N 3.43Å; R1296-T1299 WeakPolarHBondContact O-CB 3.45Å; R1296-T1299 PolarHBondContact O-N 2.85Å; R1296-I1300 WeakPolarHBondContact O-CG1 3.31Å; R1296-I1300 PolarHBondContact O-N 3.37Å
1297Q86.4Confident85Confident96 Ų9681 Ų8145%0.44939%0.385SS..Hα-helixtrans-62.9-46.8174.6-176.359.335.500111.6R1293 K1294 T1299 I1300 E1301R1293-Q1297 PolarHBondContact O-N 3.12Å; K1294-Q1297 WeakPolarHBondContact O-CB 3.39Å; K1294-Q1297 PolarHBondContact O-N 3.34Å; Q1297-T1299 PolarHBondContact O-N 3.44Å; Q1297-I1300 PolarHBondContact O-N 2.99Å; Q1297-I1300 VanDerWaalsContact O-N 3.14Å; Q1297-E1301 PolarHBondContact NE2-OE1 3.45Å; Q1297-E1301 PolarHBondContact O-N 3.12Å
1298T87.3Confident86Confident72 Ų7278.4 Ų78.444%0.44237%0.371SS..Hα-helixtrans-61.4-32.917556.80000112.3K1294 E1295 E1301 L1302K1294-T1298 WeakPolarHBondContact O-CG2 3.48Å; K1294-T1298 PolarHBondContact O-N 3.32Å; K1294-T1298 PolarHBondContact O-OG1 2.7Å; E1295-T1298 WeakPolarHBondContact CA-OG1 3.46Å; E1295-T1298 PolarHBondContact O-N 3.34Å; E1295-T1298 PolarHBondContact O-OG1 3.04Å; T1298-E1301 PolarHBondContact O-N 2.95Å; T1298-L1302 WeakPolarHBondContact O-CB 3.46Å; T1298-L1302 PolarHBondContact O-N 2.89Å
1299T87.9Confident86.8Confident1 Ų176.9 Ų76.91%0.00637%0.365CS..Hα-helixtrans-67.4-42.7175.5-63.60000111.8V1263 L1275 P1276 E1295 R1296 Q1297 E1301 L1302 L1303V1263-T1299 HydrophobicContact CG1-CG2 4.44Å; L1275-T1299 HydrophobicContact CB-CG2 3.64Å; L1275-T1299 HydrophobicContact CD1-CG2 3.66Å; L1275-T1299 HydrophobicContact CD2-CG2 4.16Å; L1275-T1299 HydrophobicContact CG-CG2 4Å; P1276-T1299 PolarHBondContact O-OG1 3.44Å; E1295-T1299 WeakPolarHBondContact O-CB 3.35Å; E1295-T1299 PolarHBondContact O-N 3.19Å; E1295-T1299 PolarHBondContact O-OG1 3.5Å; R1296-T1299 WeakPolarHBondContact O-CB 3.45Å; R1296-T1299 PolarHBondContact O-N 2.85Å; Q1297-T1299 PolarHBondContact O-N 3.44Å; T1299-E1301 VanDerWaalsContact C-N 3.33Å; T1299-L1302 PolarHBondContact O-N 3.27Å; T1299-L1303 HydrophobicContact CG2-CD1 4.03Å; T1299-L1303 HydrophobicContact CG2-CG 4.4Å; T1299-L1303 WeakPolarHBondContact O-CB 3.46Å; T1299-L1303 VanDerWaalsContact O-CG 3.25Å; T1299-L1303 WeakPolarHBondContact O-CG 3.17Å; T1299-L1303 PolarHBondContact O-N 2.88Å
1300I85.8Confident87.2Confident76 Ų7674.1 Ų74.139%0.3936%0.358SS..Hα-helixtrans-62.5-42.4175.8-68.6165000110.6R1296 Q1297 L1303 S1304R1296-I1300 WeakPolarHBondContact O-CG1 3.31Å; R1296-I1300 PolarHBondContact O-N 3.37Å; Q1297-I1300 PolarHBondContact O-N 2.99Å; Q1297-I1300 VanDerWaalsContact O-N 3.14Å; I1300-L1303 PolarHBondContact O-N 3.48Å; I1300-S1304 WeakPolarHBondContact O-CB 3.26Å; I1300-S1304 PolarHBondContact O-N 2.89Å; I1300-S1304 PolarHBondContact O-OG 3.38Å
1301E88.1Confident87.9Confident108 Ų10877.3 Ų77.351%0.50537%0.371SS..Hα-helixtrans-63.5-44.4176.9-72.5166.2-163.400111.6Q1297 T1298 T1299 S1304 H1305Q1297-E1301 PolarHBondContact NE2-OE1 3.45Å; Q1297-E1301 PolarHBondContact O-N 3.12Å; T1298-E1301 PolarHBondContact O-N 2.95Å; T1299-E1301 VanDerWaalsContact C-N 3.33Å; E1301-S1304 PolarHBondContact O-N 3.02Å; E1301-H1305 WeakPolarHBondContact O-CB 3.32Å; E1301-H1305 PolarHBondContact O-N 3.41Å
1302L86.6Confident88.5Confident86 Ų8679.1 Ų79.145%0.4538%0.378SS..Hα-helixtrans-62.3-45176.1-17765.5000112.1L1275 T1298 T1299 H1305 R1306L1275-L1302 HydrophobicContact CD2-CD2 3.82Å; T1298-L1302 WeakPolarHBondContact O-CB 3.46Å; T1298-L1302 PolarHBondContact O-N 2.89Å; T1299-L1302 PolarHBondContact O-N 3.27Å; L1302-H1305 PolarHBondContact O-N 2.9Å; L1302-R1306 WeakPolarHBondContact O-CB 3.42Å; L1302-R1306 PolarHBondContact O-N 3.18Å
1303L88.5Confident89Confident15 Ų1583.6 Ų83.68%0.07940%0.399CS..Hα-helixtrans-62.3-43.1176-74.3174.6000111.6I1266 L1270 L1272 L1275 T1299 I1300 R1306 I1307I1266-L1303 HydrophobicContact CG2-CD1 4.15Å; I1266-L1303 HydrophobicContact CG2-CD2 3.63Å; I1266-L1303 HydrophobicContact CG2-CG 4.49Å; L1270-L1303 HydrophobicContact CD1-CD2 3.78Å; L1272-L1303 HydrophobicContact CD1-CD2 3.51Å; L1275-L1303 HydrophobicContact CD1-CD1 4.15Å; L1275-L1303 HydrophobicContact CD1-CD2 4Å; L1275-L1303 HydrophobicContact CD1-CG 4.19Å; T1299-L1303 HydrophobicContact CG2-CD1 4.03Å; T1299-L1303 HydrophobicContact CG2-CG 4.4Å; T1299-L1303 WeakPolarHBondContact O-CB 3.46Å; T1299-L1303 VanDerWaalsContact O-CG 3.25Å; T1299-L1303 WeakPolarHBondContact O-CG 3.17Å; T1299-L1303 PolarHBondContact O-N 2.88Å; I1300-L1303 PolarHBondContact O-N 3.48Å; L1303-R1306 PolarHBondContact O-N 3.11Å; L1303-I1307 VanDerWaalsContact O-CG1 3.27Å; L1303-I1307 WeakPolarHBondContact O-CG1 3.39Å; L1303-I1307 PolarHBondContact O-N 3.43Å
1304S89.1Confident89.5Confident64 Ų6480 Ų8045%0.44840%0.395SS..Hα-helixtrans-62.6-46178.2-58.50000111.2I1300 E1301 R1306 I1307 E1308I1300-S1304 WeakPolarHBondContact O-CB 3.26Å; I1300-S1304 PolarHBondContact O-N 2.89Å; I1300-S1304 PolarHBondContact O-OG 3.38Å; E1301-S1304 PolarHBondContact O-N 3.02Å; S1304-R1306 VanDerWaalsContact C-N 3.34Å; S1304-R1306 PolarHBondContact O-N 3.26Å; S1304-I1307 PolarHBondContact O-N 3.41Å; S1304-E1308 PolarHBondContact O-N 3.32Å
1305H87.4Confident89.9Confident109 Ų10978.1 Ų78.151%0.50539%0.388SS..Hα-helixtrans-62.5-39.9176.2-173.957.6000112.1E1301 L1302 E1308 I1309E1301-H1305 WeakPolarHBondContact O-CB 3.32Å; E1301-H1305 PolarHBondContact O-N 3.41Å; L1302-H1305 PolarHBondContact O-N 2.9Å; H1305-E1308 PolarHBondContact O-N 3.32Å; H1305-I1309 WeakPolarHBondContact O-CG1 3.46Å; H1305-I1309 PolarHBondContact O-N 3.35Å
1306R90Very high90.2Very high82 Ų8281.6 Ų81.631%0.30940%0.404SS..Hα-helixtrans-64.9-41.3175.9-177.156.5172.2166.8-0.2112.3L1272 L1302 L1303 S1304 E1308 I1309 L1310L1272-R1306 HydrophobicContact CD1-CG 4.46Å; L1302-R1306 WeakPolarHBondContact O-CB 3.42Å; L1302-R1306 PolarHBondContact O-N 3.18Å; L1303-R1306 PolarHBondContact O-N 3.11Å; S1304-R1306 VanDerWaalsContact C-N 3.34Å; S1304-R1306 PolarHBondContact O-N 3.26Å; R1306-E1308 VanDerWaalsContact C-N 3.32Å; R1306-I1309 PolarHBondContact O-N 3.01Å; R1306-L1310 HydrophobicContact CG-CD1 4.45Å; R1306-L1310 WeakPolarHBondContact O-CG 3.35Å; R1306-L1310 PolarHBondContact O-N 3.17Å
1307I90Very high90.4Very high93 Ų9386.6 Ų86.648%0.47743%0.427SS..Hα-helixtrans-63.6-40.1175.5-70.4165.7000110.6L1270 L1303 S1304 L1310 K1311L1270-I1307 HydrophobicContact CD1-CG1 4.17Å; L1303-I1307 VanDerWaalsContact O-CG1 3.27Å; L1303-I1307 WeakPolarHBondContact O-CG1 3.39Å; L1303-I1307 PolarHBondContact O-N 3.43Å; S1304-I1307 PolarHBondContact O-N 3.41Å; I1307-L1310 PolarHBondContact O-N 3.21Å; I1307-K1311 WeakPolarHBondContact O-CB 3.42Å; I1307-K1311 PolarHBondContact O-N 2.88Å
1308E92.6Very high90.8Very high117 Ų11786.6 Ų86.655%0.54743%0.427SS..Hα-helixtrans-62.4-45.3176.2-170.7166.2-14300111.8S1304 H1305 R1306 L1310 K1311 D1312S1304-E1308 PolarHBondContact O-N 3.32Å; H1305-E1308 PolarHBondContact O-N 3.32Å; R1306-E1308 VanDerWaalsContact C-N 3.32Å; E1308-L1310 VanDerWaalsContact C-N 3.35Å; E1308-L1310 PolarHBondContact O-N 3.46Å; E1308-K1311 WeakPolarHBondContact O-CB 3.28Å; E1308-K1311 PolarHBondContact O-N 2.9Å; E1308-D1312 PolarHBondContact O-N 3.4Å
1309I91.4Very high91.1Very high58 Ų5886.9 Ų86.930%0.29743%0.426SS..Hα-helixtrans-60-44.2173.6-66.6165.2000111.4H1305 R1306 K1311 D1312 Q1313H1305-I1309 WeakPolarHBondContact O-CG1 3.46Å; H1305-I1309 PolarHBondContact O-N 3.35Å; R1306-I1309 PolarHBondContact O-N 3.01Å; I1309-K1311 VanDerWaalsContact C-N 3.3Å; I1309-K1311 PolarHBondContact O-N 2.89Å; I1309-D1312 PolarHBondContact O-N 3.2Å; I1309-Q1313 HydrophobicContact CG2-CG 4.46Å; I1309-Q1313 WeakPolarHBondContact O-CG 3.24Å; I1309-Q1313 PolarHBondContact O-N 2.95Å
1310L89.4Confident91.5Very high53 Ų5390.4 Ų90.428%0.27744%0.444SS..Hα-helixtrans-64.8-37178.2-75.3172.3000111.7L1270 R1306 I1307 E1308 Q1313 V1314L1270-L1310 HydrophobicContact CD2-CD1 3.54Å; R1306-L1310 HydrophobicContact CG-CD1 4.45Å; R1306-L1310 WeakPolarHBondContact O-CG 3.35Å; R1306-L1310 PolarHBondContact O-N 3.17Å; I1307-L1310 PolarHBondContact O-N 3.21Å; E1308-L1310 VanDerWaalsContact C-N 3.35Å; E1308-L1310 PolarHBondContact O-N 3.46Å; L1310-Q1313 PolarHBondContact O-N 3.35Å; L1310-V1314 WeakPolarHBondContact O-CB 3.44Å; L1310-V1314 VanDerWaalsContact O-CG2 3.28Å; L1310-V1314 WeakPolarHBondContact O-CG2 3.34Å; L1310-V1314 PolarHBondContact O-N 3.37Å
1311K93.2Very high92Very high145 Ų14592.2 Ų92.263%0.6345%0.454SS*.Hα-helixtrans-61.2-45.8173.7-176.6-172173.2-167.50110.9I1307 E1308 I1309 Q1313 V1314 Q1315I1307-K1311 WeakPolarHBondContact O-CB 3.42Å; I1307-K1311 PolarHBondContact O-N 2.88Å; E1308-K1311 WeakPolarHBondContact O-CB 3.28Å; E1308-K1311 PolarHBondContact O-N 2.9Å; I1309-K1311 VanDerWaalsContact C-N 3.3Å; I1309-K1311 PolarHBondContact O-N 2.89Å; K1311-Q1313 PolarHBondContact O-N 3.44Å; K1311-V1314 PolarHBondContact O-N 3.03Å; K1311-Q1315 WeakPolarHBondContact O-CB 3.5Å; K1311-Q1315 PolarHBondContact O-N 2.95Å
1312D94.4Very high92.2Very high105 Ų10589.5 Ų89.556%0.56144%0.443SS*.Hα-helixtrans-64.2-39.4176.5-69.8-15.8000112.1E1308 I1309 Q1315 H1316E1308-D1312 PolarHBondContact O-N 3.4Å; I1309-D1312 PolarHBondContact O-N 3.2Å; D1312-Q1315 PolarHBondContact O-N 3.33Å; D1312-H1316 WeakPolarHBondContact O-CB 3.37Å; D1312-H1316 PolarHBondContact O-N 2.86Å
1313Q94.7Very high92.6Very high94 Ų9489.9 Ų89.944%0.43944%0.442SS..Hα-helixtrans-65-41175-73.7-179.2-6.100112.6I1309 L1310 K1311 H1316 K1317I1309-Q1313 HydrophobicContact CG2-CG 4.46Å; I1309-Q1313 WeakPolarHBondContact O-CG 3.24Å; I1309-Q1313 PolarHBondContact O-N 2.95Å; L1310-Q1313 PolarHBondContact O-N 3.35Å; K1311-Q1313 PolarHBondContact O-N 3.44Å; Q1313-H1316 PolarHBondContact O-N 3.38Å; Q1313-K1317 WeakPolarHBondContact O-CG 3.33Å; Q1313-K1317 PolarHBondContact O-N 3.41Å
1314V93.9Very high92.8Very high89 Ų8995.8 Ų95.854%0.53946%0.464SS..Hα-helixtrans-65.2-44174.8169.60000110.1L1310 K1311 H1316 K1317 E1318L1310-V1314 WeakPolarHBondContact O-CB 3.44Å; L1310-V1314 VanDerWaalsContact O-CG2 3.28Å; L1310-V1314 WeakPolarHBondContact O-CG2 3.34Å; L1310-V1314 PolarHBondContact O-N 3.37Å; K1311-V1314 PolarHBondContact O-N 3.03Å; V1314-H1316 VanDerWaalsContact C-N 3.31Å; V1314-H1316 PolarHBondContact O-N 3.4Å; V1314-K1317 PolarHBondContact O-N 3.47Å; V1314-K1317 VanDerWaalsContact O-N 3.16Å; V1314-E1318 WeakPolarHBondContact O-CB 3.31Å; V1314-E1318 PolarHBondContact O-N 2.69Å
1315Q93.5Very high93.1Very high89 Ų8998.8 Ų98.842%0.41647%0.472SS..Hα-helixtrans-60.3-40.6175.9-170.164.953.800111.9K1311 D1312 E1318 N1319K1311-Q1315 WeakPolarHBondContact O-CB 3.5Å; K1311-Q1315 PolarHBondContact O-N 2.95Å; D1312-Q1315 PolarHBondContact O-N 3.33Å; Q1315-E1318 PolarHBondContact O-N 3.33Å; Q1315-N1319 PolarHBondContact NE2-OD1 3.38Å; Q1315-N1319 WeakPolarHBondContact O-CB 3.4Å; Q1315-N1319 PolarHBondContact O-N 3.4Å; Q1315-N1319 PolarHBondContact O-ND2 3.26Å; Q1315-N1319 PolarHBondContact O-OD1 2.86Å
1316H94.1Very high93.4Very high129 Ų12999.5 Ų99.560%0.59747%0.47SS*.Hα-helixtrans-64-43.3175.1-179.162.6000112D1312 Q1313 V1314 N1319 L1320D1312-H1316 WeakPolarHBondContact O-CB 3.37Å; D1312-H1316 PolarHBondContact O-N 2.86Å; Q1313-H1316 PolarHBondContact O-N 3.38Å; V1314-H1316 VanDerWaalsContact C-N 3.31Å; V1314-H1316 PolarHBondContact O-N 3.4Å; H1316-N1319 PolarHBondContact O-N 2.94Å; H1316-L1320 WeakPolarHBondContact O-CB 3.37Å; H1316-L1320 PolarHBondContact O-N 2.99Å
1317K95Very high93.6Very high137 Ų13798.9 Ų98.960%0.59647%0.473SS*.Hα-helixtrans-64.5-39.2175.5-74.6179.1179.7179.60112.4Q1313 V1314 L1320 L1321Q1313-K1317 WeakPolarHBondContact O-CG 3.33Å; Q1313-K1317 PolarHBondContact O-N 3.41Å; V1314-K1317 PolarHBondContact O-N 3.47Å; V1314-K1317 VanDerWaalsContact O-N 3.16Å; K1317-L1320 PolarHBondContact O-N 3.26Å; K1317-L1321 WeakPolarHBondContact O-CG 3.38Å; K1317-L1321 PolarHBondContact O-N 2.84Å
1318E94.5Very high93.6Very high96 Ų9699 Ų9945%0.44947%0.472SS..Hα-helixtrans-64.2-44.3175.4-172.9175.7-178.900111.3V1314 Q1315 L1320 L1321 N1322V1314-E1318 WeakPolarHBondContact O-CB 3.31Å; V1314-E1318 PolarHBondContact O-N 2.69Å; Q1315-E1318 PolarHBondContact O-N 3.33Å; E1318-L1320 VanDerWaalsContact C-N 3.32Å; E1318-L1320 PolarHBondContact O-N 3.47Å; E1318-L1321 PolarHBondContact O-N 3.22Å; E1318-N1322 VanDerWaalsContact O-CG 3.23Å; E1318-N1322 PolarHBondContact O-N 2.83Å; E1318-N1322 PolarHBondContact O-ND2 2.92Å
1319N93.8Very high93.7Very high79 Ų7996.1 Ų96.142%0.42247%0.465SS..Hα-helixtrans-60.6-41.6174.1-67.9-13.4000111.8Q1315 H1316 N1322 E1323Q1315-N1319 PolarHBondContact NE2-OD1 3.38Å; Q1315-N1319 WeakPolarHBondContact O-CB 3.4Å; Q1315-N1319 PolarHBondContact O-N 3.4Å; Q1315-N1319 PolarHBondContact O-ND2 3.26Å; Q1315-N1319 PolarHBondContact O-OD1 2.86Å; H1316-N1319 PolarHBondContact O-N 2.94Å; N1319-N1322 PolarHBondContact O-N 3.39Å; N1319-E1323 PolarHBondContact O-N 2.91Å; N1319-E1323 VanDerWaalsContact O-N 3.08Å
1320L95.7Very high93.7Very high74 Ų74100.9 Ų100.939%0.38748%0.479SS..Hα-helixtrans-65.5-41.1176.1-178.763.1000112.3H1316 K1317 E1318 N1322 E1323 Y1324H1316-L1320 WeakPolarHBondContact O-CB 3.37Å; H1316-L1320 PolarHBondContact O-N 2.99Å; K1317-L1320 PolarHBondContact O-N 3.26Å; E1318-L1320 VanDerWaalsContact C-N 3.32Å; E1318-L1320 PolarHBondContact O-N 3.47Å; L1320-N1322 VanDerWaalsContact C-N 3.33Å; L1320-E1323 PolarHBondContact O-N 2.94Å; L1320-Y1324 HydrophobicContact CD1-CD2 4.41Å; L1320-Y1324 HydrophobicContact CD1-CE2 3.88Å; L1320-Y1324 HydrophobicContact CD2-CE2 4.05Å; L1320-Y1324 HydrophobicContact CG-CD2 4.08Å; L1320-Y1324 HydrophobicContact CG-CE2 3.66Å; L1320-Y1324 WeakPolarHBondContact O-CD2 3.37Å; L1320-Y1324 PolarHBondContact O-N 3.18Å
1321L95.2Very high93.8Very high114 Ų114103.1 Ų103.160%0.59749%0.491SS*.Hα-helixtrans-63.6-39.1174.8-75169.9000111.8K1317 E1318 E1323 Y1324 E1325K1317-L1321 WeakPolarHBondContact O-CG 3.38Å; K1317-L1321 PolarHBondContact O-N 2.84Å; E1318-L1321 PolarHBondContact O-N 3.22Å; L1321-E1323 VanDerWaalsContact C-N 3.32Å; L1321-E1323 PolarHBondContact O-N 2.96Å; L1321-Y1324 PolarHBondContact O-N 3.48Å; L1321-E1325 WeakPolarHBondContact O-CB 3.35Å; L1321-E1325 PolarHBondContact O-N 3.42Å
1322N94Very high93.9Very high52 Ų52102.8 Ų102.828%0.27849%0.489SS..Hα-helixtrans-62.5-38.8174.5-70.6-29.1000111.9E1318 N1319 L1320 E1325 R1326E1318-N1322 VanDerWaalsContact O-CG 3.23Å; E1318-N1322 PolarHBondContact O-N 2.83Å; E1318-N1322 PolarHBondContact O-ND2 2.92Å; N1319-N1322 PolarHBondContact O-N 3.39Å; L1320-N1322 VanDerWaalsContact C-N 3.33Å; N1322-E1325 PolarHBondContact O-N 3.44Å; N1322-R1326 VanDerWaalsContact O-CG 3.31Å; N1322-R1326 WeakPolarHBondContact O-CG 3.32Å; N1322-R1326 PolarHBondContact O-N 3.15Å
1323E94Very high93.7Very high93 Ų93104.5 Ų104.544%0.43549%0.494SS..Hα-helixtrans-63.8-45.4172.4-68.9-60111.200111.4N1319 L1320 L1321 E1325 R1326 D1327N1319-E1323 PolarHBondContact O-N 2.91Å; N1319-E1323 VanDerWaalsContact O-N 3.08Å; L1320-E1323 PolarHBondContact O-N 2.94Å; L1321-E1323 VanDerWaalsContact C-N 3.32Å; L1321-E1323 PolarHBondContact O-N 2.96Å; E1323-E1325 VanDerWaalsContact C-N 3.31Å; E1323-E1325 PolarHBondContact O-N 2.64Å; E1323-R1326 WeakPolarHBondContact O-CB 3.33Å; E1323-R1326 PolarHBondContact O-N 3.01Å; E1323-R1326 IonicContact OE1-CZ 3.22Å; E1323-R1326 IonicContact OE1-NH1 2.77Å; E1323-R1326 PolarHBondContact OE1-NH1 3.29Å; E1323-D1327 PolarHBondContact O-N 3.15Å
1324Y92.9Very high93.5Very high139 Ų139102.7 Ų102.755%0.54550%0.495SS..Hα-helixtrans-62-36.7175.4-73.3-45.3000113.2L1320 L1321 D1327 M1328L1320-Y1324 HydrophobicContact CD1-CD2 4.41Å; L1320-Y1324 HydrophobicContact CD1-CE2 3.88Å; L1320-Y1324 HydrophobicContact CD2-CE2 4.05Å; L1320-Y1324 HydrophobicContact CG-CD2 4.08Å; L1320-Y1324 HydrophobicContact CG-CE2 3.66Å; L1320-Y1324 WeakPolarHBondContact O-CD2 3.37Å; L1320-Y1324 PolarHBondContact O-N 3.18Å; L1321-Y1324 PolarHBondContact O-N 3.48Å; Y1324-D1327 PolarHBondContact O-N 2.69Å; Y1324-M1328 WeakPolarHBondContact O-CB 3.39Å; Y1324-M1328 PolarHBondContact O-N 3.42Å
1325E95Very high93.3Very high128 Ų128104.1 Ų104.160%0.59850%0.496SS*.Hα-helixtrans-66.5-38.7175.7-171.7175.7-173.500112L1321 N1322 E1323 M1328 S1329L1321-E1325 WeakPolarHBondContact O-CB 3.35Å; L1321-E1325 PolarHBondContact O-N 3.42Å; N1322-E1325 PolarHBondContact O-N 3.44Å; E1323-E1325 VanDerWaalsContact C-N 3.31Å; E1323-E1325 PolarHBondContact O-N 2.64Å; E1325-M1328 PolarHBondContact O-N 2.91Å; E1325-S1329 WeakPolarHBondContact O-CB 3.42Å; E1325-S1329 PolarHBondContact O-N 3.4Å; E1325-S1329 PolarHBondContact O-OG 3.48Å
1326R94.1Very high93.2Very high123 Ų123102.7 Ų102.746%0.46450%0.499SS..Hα-helixtrans-63.3-46.5172.9-72.2174.2-173.6105.614.7111.4N1322 E1323 M1328 S1329 R1330N1322-R1326 VanDerWaalsContact O-CG 3.31Å; N1322-R1326 WeakPolarHBondContact O-CG 3.32Å; N1322-R1326 PolarHBondContact O-N 3.15Å; E1323-R1326 WeakPolarHBondContact O-CB 3.33Å; E1323-R1326 PolarHBondContact O-N 3.01Å; E1323-R1326 IonicContact OE1-CZ 3.22Å; E1323-R1326 IonicContact OE1-NH1 2.77Å; E1323-R1326 PolarHBondContact OE1-NH1 3.29Å; R1326-M1328 VanDerWaalsContact C-N 3.29Å; R1326-M1328 PolarHBondContact O-N 3.1Å; R1326-S1329 WeakPolarHBondContact O-CB 3.47Å; R1326-S1329 PolarHBondContact O-N 3.07Å; R1326-R1330 WeakPolarHBondContact O-CG 3.47Å; R1326-R1330 PolarHBondContact O-N 3.48Å
1327D94.1Very high93Very high70 Ų70101.6 Ų101.637%0.37450%0.497SS..Hα-helixtrans-65.2-34.4177.9-74.7-16.6000111.9E1323 Y1324 R1330 L1331E1323-D1327 PolarHBondContact O-N 3.15Å; Y1324-D1327 PolarHBondContact O-N 2.69Å; D1327-R1330 PolarHBondContact O-N 3.01Å; D1327-R1330 IonicContact OD1-NH1 2.63Å; D1327-R1330 PolarHBondContact OD1-NH1 3.41Å; D1327-L1331 WeakPolarHBondContact O-CB 3.41Å; D1327-L1331 PolarHBondContact O-N 3.36Å
1328M91Very high92.8Very high95 Ų9597.8 Ų97.847%0.46849%0.492SS..Hα-helixtrans-70.9-32.7174.3-144.949.922.600113.6Y1324 E1325 R1326 L1331 K1332Y1324-M1328 WeakPolarHBondContact O-CB 3.39Å; Y1324-M1328 PolarHBondContact O-N 3.42Å; E1325-M1328 PolarHBondContact O-N 2.91Å; R1326-M1328 VanDerWaalsContact C-N 3.29Å; R1326-M1328 PolarHBondContact O-N 3.1Å; M1328-L1331 HydrophobicContact CE-CB 4.44Å; M1328-L1331 HydrophobicContact CE-CD2 3.98Å; M1328-L1331 HydrophobicContact SD-CB 4.45Å; M1328-L1331 HydrophobicContact SD-CD2 3.78Å; M1328-K1332 WeakPolarHBondContact O-CG 3.44Å; M1328-K1332 PolarHBondContact O-N 2.93Å
1329S93.2Very high92.6Very high56 Ų5698.1 Ų98.139%0.39250%0.496SS..Hα-helixtrans-68-41.5171-59.30000111.6E1325 R1326 K1332 Q1333E1325-S1329 WeakPolarHBondContact O-CB 3.42Å; E1325-S1329 PolarHBondContact O-N 3.4Å; E1325-S1329 PolarHBondContact O-OG 3.48Å; R1326-S1329 WeakPolarHBondContact O-CB 3.47Å; R1326-S1329 PolarHBondContact O-N 3.07Å; S1329-K1332 PolarHBondContact O-N 3.05Å; S1329-Q1333 WeakPolarHBondContact O-CG 3.49Å; S1329-Q1333 PolarHBondContact O-N 3.28Å
1330R93.1Very high92.6Very high159 Ų15996.3 Ų96.360%0.649%0.493SS*.Hα-helixtrans-62-42.8173.4-72.2172.1176164-5.5111.8R1326 D1327 Q1333 A1334R1326-R1330 WeakPolarHBondContact O-CG 3.47Å; R1326-R1330 PolarHBondContact O-N 3.48Å; D1327-R1330 PolarHBondContact O-N 3.01Å; D1327-R1330 IonicContact OD1-NH1 2.63Å; D1327-R1330 PolarHBondContact OD1-NH1 3.41Å; R1330-Q1333 PolarHBondContact O-N 3.3Å; R1330-A1334 WeakPolarHBondContact O-CB 3.47Å; R1330-A1334 PolarHBondContact O-N 2.82Å
1331L91.6Very high92.3Very high100 Ų10097.9 Ų97.952%0.52450%0.497SS..Hα-helixtrans-62.6-45.2177.4-175.162.4000111.5D1327 M1328 Q1333 A1334 E1335D1327-L1331 WeakPolarHBondContact O-CB 3.41Å; D1327-L1331 PolarHBondContact O-N 3.36Å; M1328-L1331 HydrophobicContact CE-CB 4.44Å; M1328-L1331 HydrophobicContact CE-CD2 3.98Å; M1328-L1331 HydrophobicContact SD-CB 4.45Å; M1328-L1331 HydrophobicContact SD-CD2 3.78Å; L1331-Q1333 VanDerWaalsContact C-N 3.34Å; L1331-Q1333 PolarHBondContact O-N 2.94Å; L1331-A1334 WeakPolarHBondContact O-CB 3.27Å; L1331-A1334 PolarHBondContact O-N 3.07Å; L1331-E1335 WeakPolarHBondContact O-CB 3.38Å; L1331-E1335 PolarHBondContact O-N 3.3Å
1332K94.2Very high92.1Very high137 Ų13794.9 Ų94.960%0.59649%0.485SS*.Hα-helixtrans-61.5-39.8175.1-74.5176.2179.6-179.60112.9M1328 S1329 A1334 E1335 A1336M1328-K1332 WeakPolarHBondContact O-CG 3.44Å; M1328-K1332 PolarHBondContact O-N 2.93Å; S1329-K1332 PolarHBondContact O-N 3.05Å; K1332-A1334 VanDerWaalsContact C-N 3.35Å; K1332-E1335 PolarHBondContact O-N 3.5Å; K1332-A1336 WeakPolarHBondContact O-CB 3.33Å; K1332-A1336 PolarHBondContact O-N 3.49Å
1333Q90.3Very high91.9Very high141 Ų14198.1 Ų98.166%0.65950%0.498SS*.Hα-helixtrans-65-40.5174.5-74177.123.600111.6S1329 R1330 L1331 L1337S1329-Q1333 WeakPolarHBondContact O-CG 3.49Å; S1329-Q1333 PolarHBondContact O-N 3.28Å; R1330-Q1333 PolarHBondContact O-N 3.3Å; L1331-Q1333 VanDerWaalsContact C-N 3.34Å; L1331-Q1333 PolarHBondContact O-N 2.94Å; Q1333-L1337 WeakPolarHBondContact O-CB 3.4Å; Q1333-L1337 PolarHBondContact O-N 3.31Å
1334A89.7Confident91.8Very high56 Ų5697.6 Ų97.646%0.46350%0.496SS..Hα-helixtrans-65.9-39.717600000112.1R1330 L1331 K1332 L1337 A1338R1330-A1334 WeakPolarHBondContact O-CB 3.47Å; R1330-A1334 PolarHBondContact O-N 2.82Å; L1331-A1334 WeakPolarHBondContact O-CB 3.27Å; L1331-A1334 PolarHBondContact O-N 3.07Å; K1332-A1334 VanDerWaalsContact C-N 3.35Å; A1334-L1337 PolarHBondContact O-N 3.46Å; A1334-A1338 WeakPolarHBondContact O-CB 3.46Å; A1334-A1338 PolarHBondContact O-N 3.46Å
1335E89.6Confident91.8Very high119 Ų11994.8 Ų94.856%0.55649%0.493SS*.Hα-helixtrans-61.5-49.8174.2-175.7177.2-15600111.2L1331 K1332 L1337 A1338 D1339L1331-E1335 WeakPolarHBondContact O-CB 3.38Å; L1331-E1335 PolarHBondContact O-N 3.3Å; K1332-E1335 PolarHBondContact O-N 3.5Å; E1335-L1337 VanDerWaalsContact C-N 3.26Å; E1335-L1337 PolarHBondContact O-N 2.93Å; E1335-A1338 WeakPolarHBondContact O-CA 3.28Å; E1335-A1338 WeakPolarHBondContact O-CB 3.29Å; E1335-A1338 PolarHBondContact O-N 3.06Å; E1335-D1339 PolarHBondContact O-N 3.11Å
1336A93Very high91.6Very high59 Ų5991.7 Ų91.749%0.48848%0.481SS..Hα-helixtrans-60.1-36.317600000112.7K1332 A1340K1332-A1336 WeakPolarHBondContact O-CB 3.33Å; K1332-A1336 PolarHBondContact O-N 3.49Å; A1336-A1340 WeakPolarHBondContact O-CB 3.33Å; A1336-A1340 PolarHBondContact O-N 3.04Å
1337L90.1Very high91.5Very high106 Ų10690.4 Ų90.456%0.55548%0.48SS*.Hα-helixtrans-69.1-40.4175.2-145.9172.7000110.9Q1333 A1334 E1335 A1340 K1341Q1333-L1337 WeakPolarHBondContact O-CB 3.4Å; Q1333-L1337 PolarHBondContact O-N 3.31Å; A1334-L1337 PolarHBondContact O-N 3.46Å; E1335-L1337 VanDerWaalsContact C-N 3.26Å; E1335-L1337 PolarHBondContact O-N 2.93Å; L1337-A1340 PolarHBondContact O-N 3.49Å; L1337-K1341 HydrophobicContact CD2-CG 3.87Å; L1337-K1341 VanDerWaalsContact O-CG 3.23Å; L1337-K1341 WeakPolarHBondContact O-CG 3.47Å; L1337-K1341 PolarHBondContact O-N 3.38Å
1338A89.1Confident91.5Very high58 Ų5893 Ų9348%0.47949%0.488SS..Hα-helixtrans-63.2-42175.400000111.7A1334 E1335 K1341 S1342A1334-A1338 WeakPolarHBondContact O-CB 3.46Å; A1334-A1338 PolarHBondContact O-N 3.46Å; E1335-A1338 WeakPolarHBondContact O-CA 3.28Å; E1335-A1338 WeakPolarHBondContact O-CB 3.29Å; E1335-A1338 PolarHBondContact O-N 3.06Å; A1338-K1341 CarbonylContact O-C 3.58Å; A1338-K1341 PolarHBondContact O-N 2.95Å; A1338-S1342 PolarHBondContact O-N 3.37Å
1339D92.1Very high91.5Very high102 Ų10291.8 Ų91.855%0.54548%0.483SS..Hα-helixtrans-63.3-45.8175.3-73.7-19.3000111.6E1335 K1341 S1342 E1343E1335-D1339 PolarHBondContact O-N 3.11Å; D1339-K1341 PolarHBondContact O-N 3.48Å; D1339-S1342 WeakPolarHBondContact O-CB 3.24Å; D1339-S1342 PolarHBondContact O-N 2.85Å; D1339-S1342 VanDerWaalsContact O-N 3.13Å; D1339-E1343 PolarHBondContact O-N 3.46Å
1340A92.1Very high91.5Very high42 Ų4294 Ų9435%0.34749%0.49SS..Hα-helixtrans-60.7-34.1175.100000112.3A1336 L1337 Q1344A1336-A1340 WeakPolarHBondContact O-CB 3.33Å; A1336-A1340 PolarHBondContact O-N 3.04Å; L1337-A1340 PolarHBondContact O-N 3.49Å; A1340-Q1344 WeakPolarHBondContact O-CG 3.42Å; A1340-Q1344 PolarHBondContact O-N 2.89Å; A1340-Q1344 VanDerWaalsContact O-N 3.11Å
1341K90.1Very high91.5Very high107 Ų10791.9 Ų91.947%0.46549%0.487SS..Hα-helixtrans-73.9-39.1174.3-69.2-70.5166.9-164.70112.2L1337 A1338 D1339 E1343 Q1344 V1345L1337-K1341 HydrophobicContact CD2-CG 3.87Å; L1337-K1341 VanDerWaalsContact O-CG 3.23Å; L1337-K1341 WeakPolarHBondContact O-CG 3.47Å; L1337-K1341 PolarHBondContact O-N 3.38Å; A1338-K1341 CarbonylContact O-C 3.58Å; A1338-K1341 PolarHBondContact O-N 2.95Å; D1339-K1341 PolarHBondContact O-N 3.48Å; K1341-E1343 VanDerWaalsContact C-N 3.3Å; K1341-E1343 PolarHBondContact O-N 2.95Å; K1341-Q1344 PolarHBondContact O-N 2.89Å; K1341-V1345 WeakPolarHBondContact O-CG2 3.31Å; K1341-V1345 PolarHBondContact O-N 3.4Å
1342S90.2Very high91.6Very high50 Ų5093 Ų9335%0.3549%0.493SS..Hα-helixtrans-60.4-43172.9-170.50000110.7A1338 D1339 Q1344 V1345 D1346A1338-S1342 PolarHBondContact O-N 3.37Å; D1339-S1342 WeakPolarHBondContact O-CB 3.24Å; D1339-S1342 PolarHBondContact O-N 2.85Å; D1339-S1342 VanDerWaalsContact O-N 3.13Å; S1342-Q1344 PolarHBondContact O-N 3.07Å; S1342-V1345 PolarHBondContact O-N 3.48Å; S1342-D1346 PolarHBondContact O-N 3.07Å
1343E91.2Very high91.5Very high121 Ų12194.8 Ų94.857%0.56550%0.496SS*.Hα-helixtrans-64.4-40.9176.9-165.4-179.3177.500111.8D1339 K1341 V1345 D1346 Q1347D1339-E1343 PolarHBondContact O-N 3.46Å; K1341-E1343 VanDerWaalsContact C-N 3.3Å; K1341-E1343 PolarHBondContact O-N 2.95Å; E1343-V1345 VanDerWaalsContact C-N 3.32Å; E1343-V1345 PolarHBondContact O-N 3.32Å; E1343-D1346 PolarHBondContact O-N 3.41Å; E1343-Q1347 WeakPolarHBondContact O-CB 3.23Å; E1343-Q1347 VanDerWaalsContact O-CG 3.26Å; E1343-Q1347 WeakPolarHBondContact O-CG 3.39Å; E1343-Q1347 PolarHBondContact O-N 3.44Å
1344Q92.1Very high91.6Very high82 Ų8291.3 Ų91.338%0.38349%0.487SS..Hα-helixtrans-60-41.2172.2-75.3169.52800112A1340 K1341 S1342 Q1347 F1348A1340-Q1344 WeakPolarHBondContact O-CG 3.42Å; A1340-Q1344 PolarHBondContact O-N 2.89Å; A1340-Q1344 VanDerWaalsContact O-N 3.11Å; K1341-Q1344 PolarHBondContact O-N 2.89Å; S1342-Q1344 PolarHBondContact O-N 3.07Å; Q1344-Q1347 PolarHBondContact O-N 3.44Å; Q1344-F1348 WeakPolarHBondContact O-CD2 3.21Å; Q1344-F1348 WeakPolarHBondContact O-CG 3.45Å; Q1344-F1348 PolarHBondContact O-N 2.79Å
1345V91.3Very high91.7Very high80 Ų8094 Ų9449%0.48549%0.489SS..Hα-helixtrans-65.8-44.1176.3170.20000111.1K1341 S1342 E1343 Q1347 F1348 I1349K1341-V1345 WeakPolarHBondContact O-CG2 3.31Å; K1341-V1345 PolarHBondContact O-N 3.4Å; S1342-V1345 PolarHBondContact O-N 3.48Å; E1343-V1345 VanDerWaalsContact C-N 3.32Å; E1343-V1345 PolarHBondContact O-N 3.32Å; V1345-Q1347 VanDerWaalsContact C-N 3.31Å; V1345-Q1347 PolarHBondContact O-N 3.15Å; V1345-F1348 PolarHBondContact O-N 3.16Å; V1345-F1348 VanDerWaalsContact O-N 3.16Å; V1345-I1349 HydrophobicContact CG1-CD1 3.88Å; V1345-I1349 HydrophobicContact CG1-CG1 4.43Å; V1345-I1349 WeakPolarHBondContact O-CG1 3.48Å; V1345-I1349 PolarHBondContact O-N 3.34Å
1346D91.5Very high91.9Very high63 Ų6392.7 Ų92.734%0.33748%0.483SS..Hα-helixtrans-63.5-37.7176.4-75.5-31.2000111.6S1342 E1343 I1349 N1350S1342-D1346 PolarHBondContact O-N 3.07Å; E1343-D1346 PolarHBondContact O-N 3.41Å; D1346-I1349 PolarHBondContact O-N 3.09Å; D1346-N1350 WeakPolarHBondContact O-CB 3.39Å; D1346-N1350 VanDerWaalsContact O-CG 3.26Å; D1346-N1350 PolarHBondContact O-N 2.98Å; D1346-N1350 PolarHBondContact O-ND2 3.41Å
1347Q92.8Very high91.8Very high95 Ų9593.4 Ų93.444%0.44448%0.481SS..Hα-helixtrans-61.7-44.5171.4-72.8175.224.400111.8E1343 Q1344 V1345 N1350 Q1351E1343-Q1347 WeakPolarHBondContact O-CB 3.23Å; E1343-Q1347 VanDerWaalsContact O-CG 3.26Å; E1343-Q1347 WeakPolarHBondContact O-CG 3.39Å; E1343-Q1347 PolarHBondContact O-N 3.44Å; Q1344-Q1347 PolarHBondContact O-N 3.44Å; V1345-Q1347 VanDerWaalsContact C-N 3.31Å; V1345-Q1347 PolarHBondContact O-N 3.15Å; Q1347-N1350 PolarHBondContact O-N 3.18Å; Q1347-Q1351 WeakPolarHBondContact O-CG 3.4Å; Q1347-Q1351 PolarHBondContact O-N 3.4Å
1348F93.5Very high92Very high126 Ų12692.5 Ų92.555%0.55347%0.474SS*.Hα-helixtrans-64.4-39.5175-71.9-47.5000112.6Q1344 V1345 N1350 Q1351 L1352Q1344-F1348 WeakPolarHBondContact O-CD2 3.21Å; Q1344-F1348 WeakPolarHBondContact O-CG 3.45Å; Q1344-F1348 PolarHBondContact O-N 2.79Å; V1345-F1348 PolarHBondContact O-N 3.16Å; V1345-F1348 VanDerWaalsContact O-N 3.16Å; F1348-N1350 VanDerWaalsContact C-N 3.33Å; F1348-N1350 PolarHBondContact O-N 2.85Å; F1348-Q1351 PolarHBondContact O-N 3.02Å; F1348-L1352 WeakPolarHBondContact O-CB 3.47Å; F1348-L1352 WeakPolarHBondContact O-CG 3.34Å; F1348-L1352 PolarHBondContact O-N 3.45Å
1349I91.7Very high92.1Very high69 Ų6993 Ų9335%0.35447%0.468SS..Hα-helixtrans-61.2-44174.7-70.8167.4000110.2V1345 D1346 L1352 R1353V1345-I1349 HydrophobicContact CG1-CD1 3.88Å; V1345-I1349 HydrophobicContact CG1-CG1 4.43Å; V1345-I1349 WeakPolarHBondContact O-CG1 3.48Å; V1345-I1349 PolarHBondContact O-N 3.34Å; D1346-I1349 PolarHBondContact O-N 3.09Å; I1349-L1352 PolarHBondContact O-N 2.92Å; I1349-R1353 WeakPolarHBondContact O-CB 3.17Å; I1349-R1353 WeakPolarHBondContact O-CG 3.22Å; I1349-R1353 PolarHBondContact O-N 3.42Å
1350N91.8Very high92.1Very high103 Ų10393.2 Ų93.255%0.55147%0.465SS*.Hα-helixtrans-65.7-40.2177.5-72.5-29000112.2D1346 Q1347 F1348 R1353 S1354D1346-N1350 WeakPolarHBondContact O-CB 3.39Å; D1346-N1350 VanDerWaalsContact O-CG 3.26Å; D1346-N1350 PolarHBondContact O-N 2.98Å; D1346-N1350 PolarHBondContact O-ND2 3.41Å; Q1347-N1350 PolarHBondContact O-N 3.18Å; F1348-N1350 VanDerWaalsContact C-N 3.33Å; F1348-N1350 PolarHBondContact O-N 2.85Å; N1350-R1353 PolarHBondContact O-N 2.99Å; N1350-S1354 WeakPolarHBondContact O-CB 3.44Å; N1350-S1354 PolarHBondContact O-N 3.24Å
1351Q93.9Very high92.1Very high114 Ų11496.2 Ų96.253%0.53348%0.475SS..Hα-helixtrans-63.2-42.7173.5-72.9177.28.500112Q1347 F1348 S1354 K1355Q1347-Q1351 WeakPolarHBondContact O-CG 3.4Å; Q1347-Q1351 PolarHBondContact O-N 3.4Å; F1348-Q1351 PolarHBondContact O-N 3.02Å; Q1351-S1354 PolarHBondContact O-N 3.33Å; Q1351-K1355 WeakPolarHBondContact O-CB 3.45Å; Q1351-K1355 WeakPolarHBondContact O-CG 3.31Å; Q1351-K1355 PolarHBondContact O-N 3.31Å
1352L93Very high92.2Very high123 Ų12396.3 Ų96.364%0.64448%0.48SS*.Hα-helixtrans-63.3-42.3175.1-75.9172.5000111.7F1348 I1349 K1355 E1356F1348-L1352 WeakPolarHBondContact O-CB 3.47Å; F1348-L1352 WeakPolarHBondContact O-CG 3.34Å; F1348-L1352 PolarHBondContact O-N 3.45Å; I1349-L1352 PolarHBondContact O-N 2.92Å; L1352-K1355 PolarHBondContact O-N 3.23Å; L1352-E1356 WeakPolarHBondContact O-CB 3.35Å; L1352-E1356 PolarHBondContact O-N 3.01Å
1353R93.1Very high92.3Very high174 Ų174101.8 Ų101.866%0.65749%0.493SS*.Hα-helixtrans-61.7-43.8174.1-74.3174.7-178.2-103.41.6111.7I1349 N1350 E1356 T1357I1349-R1353 WeakPolarHBondContact O-CB 3.17Å; I1349-R1353 WeakPolarHBondContact O-CG 3.22Å; I1349-R1353 PolarHBondContact O-N 3.42Å; N1350-R1353 PolarHBondContact O-N 2.99Å; R1353-E1356 PolarHBondContact O-N 3.22Å; R1353-T1357 WeakPolarHBondContact O-CG2 3.45Å; R1353-T1357 PolarHBondContact O-N 3.34Å; R1353-T1357 PolarHBondContact O-OG1 2.75Å
1354S91.8Very high92.3Very high69 Ų69100.6 Ų100.648%0.48349%0.487SS..Hα-helixtrans-61.4-45.6175.71790000111.4N1350 Q1351 E1356 T1357 E1358N1350-S1354 WeakPolarHBondContact O-CB 3.44Å; N1350-S1354 PolarHBondContact O-N 3.24Å; Q1351-S1354 PolarHBondContact O-N 3.33Å; S1354-E1356 VanDerWaalsContact C-N 3.35Å; S1354-E1356 PolarHBondContact O-N 3.3Å; S1354-T1357 PolarHBondContact O-N 2.87Å; S1354-T1357 PolarHBondContact O-OG1 3.35Å; S1354-E1358 PolarHBondContact O-N 3.41Å
1355K93Very high92.3Very high113 Ų11399.3 Ų99.349%0.49149%0.488SS..Hα-helixtrans-63.3-38.8175.7-72.7-73.9161.7-158.20112.7Q1351 L1352 E1358 I1359Q1351-K1355 WeakPolarHBondContact O-CB 3.45Å; Q1351-K1355 WeakPolarHBondContact O-CG 3.31Å; Q1351-K1355 PolarHBondContact O-N 3.31Å; L1352-K1355 PolarHBondContact O-N 3.23Å; K1355-E1358 IonicContact NZ-OE1 2.69Å; K1355-E1358 IonicContact NZ-OE2 3.71Å; K1355-E1358 PolarHBondContact NZ-OE2 3.36Å; K1355-E1358 PolarHBondContact O-N 3.35Å; K1355-I1359 WeakPolarHBondContact O-CB 3.32Å; K1355-I1359 VanDerWaalsContact O-CG1 3.24Å; K1355-I1359 WeakPolarHBondContact O-CG1 3.49Å; K1355-I1359 PolarHBondContact O-N 2.89Å
1356E93.8Very high92.3Very high91 Ų9199.5 Ų99.543%0.42549%0.485SS..Hα-helixtrans-62.2-44.8174.5-179.456.1-145.700111.1L1352 R1353 S1354 E1358 I1359 Q1360L1352-E1356 WeakPolarHBondContact O-CB 3.35Å; L1352-E1356 PolarHBondContact O-N 3.01Å; R1353-E1356 PolarHBondContact O-N 3.22Å; S1354-E1356 VanDerWaalsContact C-N 3.35Å; S1354-E1356 PolarHBondContact O-N 3.3Å; E1356-E1358 PolarHBondContact O-N 3.08Å; E1356-I1359 PolarHBondContact O-N 3.29Å; E1356-Q1360 WeakPolarHBondContact O-CG 3.29Å; E1356-Q1360 PolarHBondContact O-N 2.9Å; E1356-Q1360 PolarHBondContact OE1-NE2 2.98Å
1357T90.6Very high92.3Very high73 Ų73100.5 Ų100.545%0.44849%0.491SS..Hα-helixtrans-64.1-38.6175.359.20000112.8R1353 S1354 Q1360 L1361R1353-T1357 WeakPolarHBondContact O-CG2 3.45Å; R1353-T1357 PolarHBondContact O-N 3.34Å; R1353-T1357 PolarHBondContact O-OG1 2.75Å; S1354-T1357 PolarHBondContact O-N 2.87Å; S1354-T1357 PolarHBondContact O-OG1 3.35Å; T1357-Q1360 PolarHBondContact O-N 3.14Å; T1357-L1361 WeakPolarHBondContact O-CD1 3.27Å; T1357-L1361 PolarHBondContact O-N 3.26Å
1358E93.4Very high92.2Very high87 Ų87102.2 Ų102.241%0.40749%0.493SS..Hα-helixtrans-62.7-45.8175.1-173.6-176.4179.500111S1354 K1355 E1356 Q1360 L1361 L1362S1354-E1358 PolarHBondContact O-N 3.41Å; K1355-E1358 IonicContact NZ-OE1 2.69Å; K1355-E1358 IonicContact NZ-OE2 3.71Å; K1355-E1358 PolarHBondContact NZ-OE2 3.36Å; K1355-E1358 PolarHBondContact O-N 3.35Å; E1356-E1358 PolarHBondContact O-N 3.08Å; E1358-Q1360 VanDerWaalsContact C-N 3.33Å; E1358-Q1360 PolarHBondContact O-N 2.9Å; E1358-L1361 PolarHBondContact O-N 3.49Å; E1358-L1362 HydrophobicContact CG-CD1 4.29Å; E1358-L1362 WeakPolarHBondContact O-CB 3.38Å; E1358-L1362 VanDerWaalsContact O-CG 3.3Å; E1358-L1362 WeakPolarHBondContact O-CG 3.34Å; E1358-L1362 PolarHBondContact O-N 2.94Å
1359I90.5Very high92.1Very high70 Ų70100.7 Ų100.736%0.35949%0.494SS..Hα-helixtrans-61.5-41.5176-70.4165.9000110.8K1355 E1356 L1362 R1363K1355-I1359 WeakPolarHBondContact O-CB 3.32Å; K1355-I1359 VanDerWaalsContact O-CG1 3.24Å; K1355-I1359 WeakPolarHBondContact O-CG1 3.49Å; K1355-I1359 PolarHBondContact O-N 2.89Å; E1356-I1359 PolarHBondContact O-N 3.29Å; I1359-L1362 PolarHBondContact O-N 3.13Å; I1359-R1363 HydrophobicContact CG2-CG 4.43Å; I1359-R1363 WeakPolarHBondContact O-CB 3.19Å; I1359-R1363 VanDerWaalsContact O-CG 3.29Å; I1359-R1363 WeakPolarHBondContact O-CG 3.36Å; I1359-R1363 PolarHBondContact O-N 3.06Å
1360Q93.2Very high92Very high106 Ų106104.9 Ų104.950%0.49551%0.506SS..Hα-helixtrans-63.9-43.3176.6-73.117622.600112.2E1356 T1357 E1358 L1362 R1363 Q1364E1356-Q1360 WeakPolarHBondContact O-CG 3.29Å; E1356-Q1360 PolarHBondContact O-N 2.9Å; E1356-Q1360 PolarHBondContact OE1-NE2 2.98Å; T1357-Q1360 PolarHBondContact O-N 3.14Å; E1358-Q1360 VanDerWaalsContact C-N 3.33Å; E1358-Q1360 PolarHBondContact O-N 2.9Å; Q1360-L1362 PolarHBondContact O-N 3.24Å; Q1360-R1363 PolarHBondContact O-N 3.34Å; Q1360-Q1364 WeakPolarHBondContact O-CB 3.4Å; Q1360-Q1364 PolarHBondContact O-N 3.21Å
1361L92.1Very high92Very high105 Ų105106 Ų10655%0.5551%0.508SS..Hα-helixtrans-62.3-40.8174.9-81.7155.8000112.1T1357 E1358 Q1364 S1365T1357-L1361 WeakPolarHBondContact O-CD1 3.27Å; T1357-L1361 PolarHBondContact O-N 3.26Å; E1358-L1361 PolarHBondContact O-N 3.49Å; L1361-Q1364 PolarHBondContact O-N 3.4Å; L1361-S1365 WeakPolarHBondContact O-CB 3.31Å; L1361-S1365 PolarHBondContact O-N 2.83Å; L1361-S1365 PolarHBondContact O-OG 2.94Å
1362L92Very high91.8Very high108 Ų108103.4 Ų103.457%0.56551%0.505SS*.Hα-helixtrans-65.5-43.8175.7-73.2171.3000111.7E1358 I1359 Q1360 S1365 L1366E1358-L1362 HydrophobicContact CG-CD1 4.29Å; E1358-L1362 WeakPolarHBondContact O-CB 3.38Å; E1358-L1362 VanDerWaalsContact O-CG 3.3Å; E1358-L1362 WeakPolarHBondContact O-CG 3.34Å; E1358-L1362 PolarHBondContact O-N 2.94Å; I1359-L1362 PolarHBondContact O-N 3.13Å; Q1360-L1362 PolarHBondContact O-N 3.24Å; L1362-S1365 PolarHBondContact O-N 3.23Å; L1362-L1366 WeakPolarHBondContact O-CB 3.41Å; L1362-L1366 PolarHBondContact O-N 3.33Å
1363R92.7Very high91.7Very high166 Ų166101.9 Ų101.963%0.62650%0.498SS*.Hα-helixtrans-60.3-47.6174.2-73.6177.2-174.4-154.64.9111.4I1359 Q1360 S1365 L1366 D1367I1359-R1363 HydrophobicContact CG2-CG 4.43Å; I1359-R1363 WeakPolarHBondContact O-CB 3.19Å; I1359-R1363 VanDerWaalsContact O-CG 3.29Å; I1359-R1363 WeakPolarHBondContact O-CG 3.36Å; I1359-R1363 PolarHBondContact O-N 3.06Å; Q1360-R1363 PolarHBondContact O-N 3.34Å; R1363-S1365 VanDerWaalsContact C-N 3.31Å; R1363-S1365 PolarHBondContact O-N 3.25Å; R1363-L1366 WeakPolarHBondContact O-CB 3.21Å; R1363-L1366 PolarHBondContact O-N 2.87Å; R1363-L1366 VanDerWaalsContact O-N 3.16Å; R1363-D1367 PolarHBondContact O-N 3.14Å
1364Q91.7Very high91.5Very high95 Ų9597.5 Ų97.544%0.44449%0.487SS..Hα-helixtrans-61.8-39.1178-163.2-169.83900112.1Q1360 L1361 D1367 R1368Q1360-Q1364 WeakPolarHBondContact O-CB 3.4Å; Q1360-Q1364 PolarHBondContact O-N 3.21Å; L1361-Q1364 PolarHBondContact O-N 3.4Å; Q1364-D1367 PolarHBondContact O-N 2.9Å; Q1364-R1368 VanDerWaalsContact CD-CZ 3.42Å; Q1364-R1368 WeakPolarHBondContact O-CG 3.35Å; Q1364-R1368 PolarHBondContact O-N 3.44Å
1365S91.4Very high91.2Very high56 Ų5698.2 Ų98.239%0.39249%0.485SS..Hα-helixtrans-67-40.2175.7-58.50000111.7L1361 L1362 R1363 R1368 T1369L1361-S1365 WeakPolarHBondContact O-CB 3.31Å; L1361-S1365 PolarHBondContact O-N 2.83Å; L1361-S1365 PolarHBondContact O-OG 2.94Å; L1362-S1365 PolarHBondContact O-N 3.23Å; R1363-S1365 VanDerWaalsContact C-N 3.31Å; R1363-S1365 PolarHBondContact O-N 3.25Å; S1365-R1368 PolarHBondContact O-N 3.24Å; S1365-T1369 WeakPolarHBondContact O-CG2 3.44Å; S1365-T1369 PolarHBondContact O-N 2.89Å; S1365-T1369 VanDerWaalsContact O-N 3.07Å; S1365-T1369 PolarHBondContact O-OG1 3.25Å
1366L90.2Very high91Very high83 Ų8398.9 Ų98.944%0.43549%0.49SS..Hα-helixtrans-63.6-43175.4-168.4151.2000111.3L1362 R1363 T1369 R1370L1362-L1366 WeakPolarHBondContact O-CB 3.41Å; L1362-L1366 PolarHBondContact O-N 3.33Å; R1363-L1366 WeakPolarHBondContact O-CB 3.21Å; R1363-L1366 PolarHBondContact O-N 2.87Å; R1363-L1366 VanDerWaalsContact O-N 3.16Å; L1366-T1369 PolarHBondContact O-N 3.36Å; L1366-T1369 PolarHBondContact O-OG1 3.43Å; L1366-R1370 HydrophobicContact CD2-CG 4.36Å; L1366-R1370 PolarHBondContact O-N 3.04Å
1367D92.4Very high90.7Very high85 Ų8599.9 Ų99.946%0.45550%0.495SS..Hα-helixtrans-64.3-42.1177.1-69.9-26.4000112R1363 Q1364 T1369 R1370 E1371R1363-D1367 PolarHBondContact O-N 3.14Å; Q1364-D1367 PolarHBondContact O-N 2.9Å; D1367-T1369 VanDerWaalsContact C-N 3.31Å; D1367-T1369 PolarHBondContact O-N 3.41Å; D1367-R1370 WeakPolarHBondContact O-CB 3.5Å; D1367-R1370 PolarHBondContact O-N 3.01Å; D1367-E1371 PolarHBondContact O-N 2.88Å
1368R91.3Very high90.5Very high131 Ų131104.1 Ų104.149%0.49450%0.503SS..Hα-helixtrans-57.4-42.8172.7-72.6177-174.5115.8-2.6112.3Q1364 S1365 E1371 A1372Q1364-R1368 VanDerWaalsContact CD-CZ 3.42Å; Q1364-R1368 WeakPolarHBondContact O-CG 3.35Å; Q1364-R1368 PolarHBondContact O-N 3.44Å; S1365-R1368 PolarHBondContact O-N 3.24Å; R1368-E1371 PolarHBondContact O-N 2.99Å; R1368-A1372 WeakPolarHBondContact O-CB 3.39Å; R1368-A1372 PolarHBondContact O-N 3.29Å
1369T89.8Confident89.7Confident94 Ų94103.3 Ų103.358%0.57751%0.507SS*.Hα-helixtrans-68.8-36.4177.860.90000112.4S1365 L1366 D1367 L1373S1365-T1369 WeakPolarHBondContact O-CG2 3.44Å; S1365-T1369 PolarHBondContact O-N 2.89Å; S1365-T1369 VanDerWaalsContact O-N 3.07Å; S1365-T1369 PolarHBondContact O-OG1 3.25Å; L1366-T1369 PolarHBondContact O-N 3.36Å; L1366-T1369 PolarHBondContact O-OG1 3.43Å; D1367-T1369 VanDerWaalsContact C-N 3.31Å; D1367-T1369 PolarHBondContact O-N 3.41Å; T1369-L1373 WeakPolarHBondContact O-CB 3.26Å; T1369-L1373 PolarHBondContact O-N 2.96Å
1370R90.8Very high88.9Confident156 Ų156104.2 Ų104.259%0.58951%0.511SS*.Hα-helixtrans-63.6-44.8172.1-88.3-173.8175.4133.81.6112.3L1366 D1367 L1373 L1374L1366-R1370 HydrophobicContact CD2-CG 4.36Å; L1366-R1370 PolarHBondContact O-N 3.04Å; D1367-R1370 WeakPolarHBondContact O-CB 3.5Å; D1367-R1370 PolarHBondContact O-N 3.01Å; R1370-L1373 PolarHBondContact O-N 2.98Å; R1370-L1374 WeakPolarHBondContact O-CG 3.41Å; R1370-L1374 PolarHBondContact O-N 2.98Å
1371E90.8Very high88.2Confident127 Ų127101.3 Ų101.359%0.59351%0.505SS*.Hα-helixtrans-63.7-42.4177.4-76.6-171.1161.100112D1367 R1368 L1373 L1374 N1375D1367-E1371 PolarHBondContact O-N 2.88Å; R1368-E1371 PolarHBondContact O-N 2.99Å; E1371-L1373 VanDerWaalsContact C-N 3.33Å; E1371-L1373 PolarHBondContact O-N 2.99Å; E1371-L1374 PolarHBondContact O-N 3.27Å; E1371-N1375 WeakPolarHBondContact O-CB 3.47Å; E1371-N1375 PolarHBondContact O-N 3.46Å
1372A91.4Very high87.3Confident59 Ų5999.2 Ų99.249%0.48850%0.503SS..Hα-helixtrans-58.7-45.2174.800000111.6R1368 N1375 E1376R1368-A1372 WeakPolarHBondContact O-CB 3.39Å; R1368-A1372 PolarHBondContact O-N 3.29Å; A1372-N1375 PolarHBondContact O-N 3.27Å; A1372-E1376 PolarHBondContact O-N 3.2Å
1373L89.8Confident86.1Confident92 Ų92101.7 Ų101.748%0.48251%0.51SS..Hα-helixtrans-65.7-41.2177.7-173.8147.8000112.3T1369 R1370 E1371 E1376 Q1377T1369-L1373 WeakPolarHBondContact O-CB 3.26Å; T1369-L1373 PolarHBondContact O-N 2.96Å; R1370-L1373 PolarHBondContact O-N 2.98Å; E1371-L1373 VanDerWaalsContact C-N 3.33Å; E1371-L1373 PolarHBondContact O-N 2.99Å; L1373-E1376 PolarHBondContact O-N 3.26Å; L1373-Q1377 HydrophobicContact CD2-CG 4.29Å; L1373-Q1377 WeakPolarHBondContact O-CG 3.26Å; L1373-Q1377 PolarHBondContact O-N 2.87Å
1374L89.3Confident85.1Confident81 Ų81100.8 Ų100.842%0.42451%0.51SS..Hα-helixtrans-63.9-39.8174.5-78.8172.2000112R1370 E1371 Q1377 R1378R1370-L1374 WeakPolarHBondContact O-CG 3.41Å; R1370-L1374 PolarHBondContact O-N 2.98Å; E1371-L1374 PolarHBondContact O-N 3.27Å; L1374-Q1377 PolarHBondContact O-N 2.89Å; L1374-R1378 VanDerWaalsContact O-CG 3.3Å; L1374-R1378 WeakPolarHBondContact O-CG 3.33Å; L1374-R1378 PolarHBondContact O-N 3.05Å
1375N86Confident83.8Confident84 Ų84104.2 Ų104.245%0.44952%0.523SS..Hα-helixtrans-65.9-38.8176.1-78.2-17.8000112E1371 A1372 R1378 S1379E1371-N1375 WeakPolarHBondContact O-CB 3.47Å; E1371-N1375 PolarHBondContact O-N 3.46Å; A1372-N1375 PolarHBondContact O-N 3.27Å; N1375-R1378 PolarHBondContact O-N 3.45Å; N1375-S1379 WeakPolarHBondContact O-CB 3.43Å; N1375-S1379 PolarHBondContact O-N 3.36Å; N1375-S1379 PolarHBondContact O-OG 2.99Å
1376E87.5Confident82.4Confident128 Ų128105.1 Ų105.160%0.59853%0.53SS*.Hα-helixtrans-64.8-44.4174-162.1179.5-172.300111.2A1372 L1373 R1378 S1379 I1380A1372-E1376 PolarHBondContact O-N 3.2Å; L1373-E1376 PolarHBondContact O-N 3.26Å; E1376-R1378 PolarHBondContact O-N 3Å; E1376-S1379 WeakPolarHBondContact O-CB 3.31Å; E1376-S1379 PolarHBondContact O-N 2.95Å; E1376-I1380 HydrophobicContact CG-CD1 4.25Å; E1376-I1380 WeakPolarHBondContact O-CG1 3.33Å; E1376-I1380 PolarHBondContact O-N 3.35Å
1377Q87.6Confident80.7Confident111 Ų111111.1 Ų111.152%0.51955%0.547SS..Hα-helixtrans-60.4-43.2174.1-75.9-176.4-0.200112.8L1373 L1374 S1379 I1380 A1381L1373-Q1377 HydrophobicContact CD2-CG 4.29Å; L1373-Q1377 WeakPolarHBondContact O-CG 3.26Å; L1373-Q1377 PolarHBondContact O-N 2.87Å; L1374-Q1377 PolarHBondContact O-N 2.89Å; Q1377-S1379 VanDerWaalsContact C-N 3.31Å; Q1377-S1379 PolarHBondContact O-N 3.5Å; Q1377-I1380 PolarHBondContact O-N 3.28Å; Q1377-A1381 WeakPolarHBondContact O-CB 3.4Å; Q1377-A1381 PolarHBondContact O-N 3.28Å
1378R86.5Confident78.6Confident163 Ų163114 Ų11462%0.61556%0.562SS**Hα-helixtrans-60.9-41.1174.6-72.7177.2-151.7-178.18.1111.4L1374 N1375 E1376 A1381 A1382L1374-R1378 VanDerWaalsContact O-CG 3.3Å; L1374-R1378 WeakPolarHBondContact O-CG 3.33Å; L1374-R1378 PolarHBondContact O-N 3.05Å; N1375-R1378 PolarHBondContact O-N 3.45Å; E1376-R1378 PolarHBondContact O-N 3Å; R1378-A1381 PolarHBondContact O-N 2.91Å; R1378-A1382 WeakPolarHBondContact O-CB 3.48Å; R1378-A1382 PolarHBondContact O-N 3.5Å
1379S76.3Confident76.2Confident70 Ų70111.9 Ų111.949%0.4957%0.568SS.*Hα-helixtrans-65.6-43.8178.1-59.30000111.9N1375 E1376 Q1377 A1382 F1383N1375-S1379 WeakPolarHBondContact O-CB 3.43Å; N1375-S1379 PolarHBondContact O-N 3.36Å; N1375-S1379 PolarHBondContact O-OG 2.99Å; E1376-S1379 WeakPolarHBondContact O-CB 3.31Å; E1376-S1379 PolarHBondContact O-N 2.95Å; Q1377-S1379 VanDerWaalsContact C-N 3.31Å; Q1377-S1379 PolarHBondContact O-N 3.5Å; S1379-A1382 PolarHBondContact O-N 3.29Å; S1379-F1383 PolarHBondContact O-N 3.24Å
1380I75.4Confident73.8Confident88 Ų88113.3 Ų113.345%0.45158%0.577SS.*Hα-helixtrans-63.5-41.6174.8-66.7165.8000110.9E1376 Q1377 F1383 K1384E1376-I1380 HydrophobicContact CG-CD1 4.25Å; E1376-I1380 WeakPolarHBondContact O-CG1 3.33Å; E1376-I1380 PolarHBondContact O-N 3.35Å; Q1377-I1380 PolarHBondContact O-N 3.28Å; I1380-F1383 PolarHBondContact O-N 3.13Å; I1380-K1384 HydrophobicContact CG2-CD 4.49Å; I1380-K1384 WeakPolarHBondContact O-CG 3.29Å; I1380-K1384 PolarHBondContact O-N 2.87Å
1381A76.8Confident71.2Confident46 Ų46111.9 Ų111.938%0.3859%0.587SS.*Hα-helixtrans-65.1-40.5177.200000112.1Q1377 R1378 K1384 K1385Q1377-A1381 WeakPolarHBondContact O-CB 3.4Å; Q1377-A1381 PolarHBondContact O-N 3.28Å; R1378-A1381 PolarHBondContact O-N 2.91Å; A1381-K1384 PolarHBondContact O-N 3.48Å; A1381-K1385 WeakPolarHBondContact O-CG 3.4Å; A1381-K1385 PolarHBondContact O-N 2.82Å
1382A73Confident68.2Low60 Ų60112.9 Ų112.950%0.49660%0.602SS.*Hα-helixtrans-62.7-43.6173.600000111.5R1378 S1379 K1384 K1385 S1386R1378-A1382 WeakPolarHBondContact O-CB 3.48Å; R1378-A1382 PolarHBondContact O-N 3.5Å; S1379-A1382 PolarHBondContact O-N 3.29Å; A1382-K1384 PolarHBondContact O-N 3.31Å; A1382-K1385 PolarHBondContact O-N 3.46Å; A1382-S1386 PolarHBondContact O-N 2.95Å
1383F68.1Low65.5Low161 Ų161114.9 Ų114.971%0.70661%0.613SS**Hα-helixtrans-59.9-46.1173.9-108.9-82.1000112.2S1379 I1380 K1385 S1386 R1387S1379-F1383 PolarHBondContact O-N 3.24Å; I1380-F1383 PolarHBondContact O-N 3.13Å; F1383-K1385 PolarHBondContact O-N 3.45Å; F1383-S1386 PolarHBondContact O-N 3.39Å; F1383-S1386 PolarHBondContact O-OG 3.19Å; F1383-R1387 PolarHBondContact O-N 2.87Å
1384K71.2Confident62.8Low146 Ų146118.4 Ų118.464%0.63563%0.632SS**Hα-helixtrans-62.5-39.3176.5-78.5-176.2176.8179.70112.6I1380 A1381 A1382 R1387 N1388I1380-K1384 HydrophobicContact CG2-CD 4.49Å; I1380-K1384 WeakPolarHBondContact O-CG 3.29Å; I1380-K1384 PolarHBondContact O-N 2.87Å; A1381-K1384 PolarHBondContact O-N 3.48Å; A1382-K1384 PolarHBondContact O-N 3.31Å; K1384-R1387 PolarHBondContact O-N 3.36Å; K1384-N1388 PolarHBondContact O-N 2.84Å
1385K65.3Low59.8Low167 Ų167120.9 Ų120.973%0.72665%0.65SS**Hα-helixtrans-65.3-41.1175.8-77.9-176.6177.4-176.60112.1A1381 A1382 F1383 R1387 N1388A1381-K1385 WeakPolarHBondContact O-CG 3.4Å; A1381-K1385 PolarHBondContact O-N 2.82Å; A1382-K1385 PolarHBondContact O-N 3.46Å; F1383-K1385 PolarHBondContact O-N 3.45Å; K1385-R1387 PolarHBondContact O-N 3.5Å; K1385-N1388 PolarHBondContact O-N 2.96Å
1386S60.3Low57Low76 Ų76121.7 Ų121.753%0.53166%0.663SS.*Hα-helixtrans-64.1-30.3176.880.20000113A1382 F1383 N1388 S1389A1382-S1386 PolarHBondContact O-N 2.95Å; F1383-S1386 PolarHBondContact O-N 3.39Å; F1383-S1386 PolarHBondContact O-OG 3.19Å; S1386-N1388 VanDerWaalsContact C-N 3.33Å; S1386-N1388 PolarHBondContact O-N 3.43Å; S1386-S1389 PolarHBondContact O-OG 2.89Å
1387R54.7Low54.4Low209 Ų209121.5 Ų121.579%0.78968%0.675SS**Hα-helixtrans-78.2-16.3-178.8-167169.1164175.4-4.8113.5F1383 K1384 K1385F1383-R1387 PolarHBondContact O-N 2.87Å; K1384-R1387 PolarHBondContact O-N 3.36Å; K1385-R1387 PolarHBondContact O-N 3.5Å
1388N48.8Very low51.4Low144 Ų144124 Ų12477%0.7769%0.69SS**THydrogen-bonded Turntrans-100.83.5-178.2-757.3000114K1384 K1385 S1386K1384-N1388 PolarHBondContact O-N 2.84Å; K1385-N1388 PolarHBondContact O-N 2.96Å; S1386-N1388 VanDerWaalsContact C-N 3.33Å; S1386-N1388 PolarHBondContact O-N 3.43Å
1389S41.9Very low48.8Very low88 Ų88124.9 Ų124.962%0.61570%0.699SS**  trans-109.169.6174.9620000111.4S1386S1386-S1389 PolarHBondContact O-OG 2.89Å
1390T38.7Very low46.5Very low124 Ų124128 Ų12876%0.76171%0.714SS**  trans-126.3118.1158.8290000108.8
1391P35.2Very low44.2Very low125 Ų125129.9 Ų129.981%0.81272%0.724SS**  trans-68.9141.9-179.4-14.328000112.4S1393P1391-S1393 PolarHBondContact O-N 3.17Å
1392T29.3Very low42.1Very low148 Ų148133.1 Ų133.191%0.90874%0.741SS**  trans-62.2109.1170.648.90000111.3
1393S34.2Very low40.1Very low102 Ų102135.4 Ų135.471%0.71375%0.751SS**  trans-146124156.267.60000111.4P1391P1391-S1393 PolarHBondContact O-N 3.17Å
1394N32.2Very low38.2Very low166 Ų166136.5 Ų136.589%0.88876%0.758SS**  trans82105.3158.7-61.6-13.4000118.6
1395V27.2Very low36Very low132 Ų132139.8 Ų139.880%0.877%0.773SS**  trans-73.4149.6176.9170.40000111.5
1396S28.1Very low34.4Very low102 Ų102141.6 Ų141.671%0.71378%0.781SS**  trans68.4112.4154.360.30000119.2
1397S31.1Very low32.8Very low123 Ų123146.9 Ų146.986%0.8680%0.797SS**  -172.1118105.1-78.40000111.1
1398I26.3Very low31.8Very low163 Ų163143 Ų14384%0.83680%0.799SS**  trans-68.1130.2172.1-68.1157.6000109.4
1399K30.9Very low30.9Very low183 Ų183147.8 Ų147.880%0.79681%0.806SS**  trans-155.595.2148.2-120175-175.9178.30110.6I1401K1399-I1401 PolarHBondContact O-N 2.92Å
1400V27Very low30.2Very low135 Ų135152.8 Ų152.882%0.81882%0.82SS**  trans-67.9107.4162.7176.40000106.8
1401I28.5Very low29.8Very low128 Ų128152.1 Ų152.166%0.65682%0.82SS**  trans-117.9119164.5-62.2177.5000106.4K1399 P1403K1399-I1401 PolarHBondContact O-N 2.92Å; I1401-P1403 WeakPolarHBondContact O-CD 3.48Å
1402P32Very low29.8Very low113 Ų113151.6 Ų151.673%0.73482%0.819SS**  trans-88.6122.8177.431.7-27.4000110.4
1403P31.1Very low30.3Very low109 Ų109151.5 Ų151.571%0.70881%0.813SS**  trans-114109.6168.526.5-7.1000110.9I1401I1401-P1403 WeakPolarHBondContact O-CD 3.48Å
1404Q27.5Very low30.7Very low183 Ų183154.4 Ų154.486%0.85582%0.816SS**  53.1105.9126.2-62.9-176.6-16.800119.2K1406Q1404-K1406 PolarHBondContact O-N 3.4Å
1405K26.7Very low31.4Very low216 Ų216154.2 Ų154.294%0.93981%0.809SS**  trans-21.5115.9146-65.3174.2176.1178.50113.3
1406K30.4Very low32.5Very low205 Ų205151 Ų15189%0.89179%0.793SS**  trans-116.4131152.5-82.2-172.4177.8179.20109.6Q1404Q1404-K1406 PolarHBondContact O-N 3.4Å
1407Q28Very low33.5Very low187 Ų187150.6 Ų150.687%0.87478%0.783SS**PPolyproline II helixtrans-59.9136.7-173.6-67.5162.8-29.700111.7
1408P33.8Very low34.9Very low127 Ų127151.8 Ų151.883%0.82577%0.772SS**PPolyproline II helixtrans-78.8123.1170.63.114.1000109.3
1409R28.2Very low36.5Very low244 Ų244149.8 Ų149.892%0.92176%0.759SS**PPolyproline II helixtrans-67.9136.2166.1-78.7179.8171.8-176.5-3.6109.4
1410Q28.5Very low38.1Very low194 Ų194146.7 Ų146.791%0.90775%0.748SS**PPolyproline II helixtrans-67.2125.8175.5-65.6163.5-33.700110.8
1411S29.8Very low40.1Very low110 Ų110148.8 Ų148.877%0.76974%0.741SS**  trans-170.5131146.855.30000111.3
1412S35.9Very low42.1Very low113 Ų113149.1 Ų149.179%0.7974%0.739SS**  trans64.9111.2164.157.70000119.1
1413N39.1Very low44.2Very low146 Ų146151.6 Ų151.678%0.78173%0.734SS**  trans-95.121.1-167.5-140.321.4000114.2
1414E43Very low46.5Very low164 Ų164153.1 Ų153.177%0.76673%0.73SS**Hα-helixtrans-95.7-15-171-71.8-171.6162.800114.9
1415Q46.7Very low49Very low162 Ų162148.2 Ų148.276%0.75771%0.712SS**Hα-helixtrans-79.5-31.4-178.3-139.298.4-18.100112.6K1418 E1419Q1415-K1418 PolarHBondContact O-N 3.47Å; Q1415-E1419 PolarHBondContact O-N 3.45Å
1416S49.6Very low51.5Low65 Ų65141.4 Ų141.446%0.45569%0.689SS.*Hα-helixtrans-68.2-41.7-178.2178.70000112.4K1418 E1419 Q1420S1416-K1418 VanDerWaalsContact C-N 3.31Å; S1416-K1418 PolarHBondContact O-N 2.96Å; S1416-E1419 PolarHBondContact O-N 3.44Å; S1416-Q1420 WeakPolarHBondContact O-CB 3.35Å; S1416-Q1420 PolarHBondContact O-N 3.11Å
1417D50.4Low53.9Low93 Ų93137.6 Ų137.650%0.49767%0.674SS.*Hα-helixtrans-68.3-32.9179.3-81.9-6.5000112.1R1421D1417-R1421 VanDerWaalsContact O-CB 3.26Å; D1417-R1421 WeakPolarHBondContact O-CB 3.45Å; D1417-R1421 WeakPolarHBondContact O-CG 3.28Å; D1417-R1421 PolarHBondContact O-N 3.02Å
1418K58.8Low56.5Low148 Ų148133.8 Ų133.864%0.64366%0.656SS**Hα-helixtrans-64.8-49.3172.7-91.6-178.6177.3172.30111.4Q1415 S1416 Q1420 R1421 Q1422Q1415-K1418 PolarHBondContact O-N 3.47Å; S1416-K1418 VanDerWaalsContact C-N 3.31Å; S1416-K1418 PolarHBondContact O-N 2.96Å; K1418-Q1420 VanDerWaalsContact C-N 3.32Å; K1418-Q1420 PolarHBondContact O-N 3.21Å; K1418-R1421 PolarHBondContact O-N 3.4Å; K1418-Q1422 WeakPolarHBondContact O-CB 3.45Å; K1418-Q1422 PolarHBondContact O-N 3.01Å
1419E60.5Low58.9Low121 Ų121134.2 Ų134.257%0.56565%0.645SS**Hα-helixtrans-61.7-39.9177.3-92.8-163.9138.400112.3Q1415 S1416 Q1422 R1423Q1415-E1419 PolarHBondContact O-N 3.45Å; S1416-E1419 PolarHBondContact O-N 3.44Å; E1419-Q1422 PolarHBondContact O-N 3.4Å; E1419-R1423 WeakPolarHBondContact O-CB 3.47Å; E1419-R1423 VanDerWaalsContact O-CG 3.32Å; E1419-R1423 WeakPolarHBondContact O-CG 3.47Å; E1419-R1423 PolarHBondContact O-N 3.45Å
1420Q64.7Low61.5Low117 Ų117127.5 Ų127.555%0.54763%0.627SS.*Hα-helixtrans-72.1-35.6-179.2-159.8156.5-1.700112.3S1416 K1418 K1424S1416-Q1420 WeakPolarHBondContact O-CB 3.35Å; S1416-Q1420 PolarHBondContact O-N 3.11Å; K1418-Q1420 VanDerWaalsContact C-N 3.32Å; K1418-Q1420 PolarHBondContact O-N 3.21Å; Q1420-K1424 PolarHBondContact O-N 3.44Å
1421R68.2Low64.4Low180 Ų180125.2 Ų125.268%0.67961%0.614SS**Hα-helixtrans-64.8-43.3168.6-74.5174.2-172.4-122.24.3111.2D1417 K1418 R1423 K1424 V1425D1417-R1421 VanDerWaalsContact O-CB 3.26Å; D1417-R1421 WeakPolarHBondContact O-CB 3.45Å; D1417-R1421 WeakPolarHBondContact O-CG 3.28Å; D1417-R1421 PolarHBondContact O-N 3.02Å; K1418-R1421 PolarHBondContact O-N 3.4Å; R1421-R1423 VanDerWaalsContact C-N 3.34Å; R1421-R1423 PolarHBondContact O-N 3.13Å; R1421-K1424 PolarHBondContact O-N 2.83Å; R1421-V1425 VanDerWaalsContact O-CG2 3.27Å; R1421-V1425 WeakPolarHBondContact O-CG2 3.24Å; R1421-V1425 PolarHBondContact O-N 3.42Å
1422Q72.1Confident66.9Low134 Ų134128.4 Ų128.463%0.62661%0.609SS**Hα-helixtrans-60-45.4177.1-13910223.200110.8K1418 E1419 V1425 T1426K1418-Q1422 WeakPolarHBondContact O-CB 3.45Å; K1418-Q1422 PolarHBondContact O-N 3.01Å; E1419-Q1422 PolarHBondContact O-N 3.4Å; Q1422-V1425 PolarHBondContact O-N 3.19Å; Q1422-T1426 WeakPolarHBondContact O-CG2 3.5Å; Q1422-T1426 PolarHBondContact O-N 2.92Å; Q1422-T1426 PolarHBondContact O-OG1 2.86Å; Q1422-T1426 VanDerWaalsContact O-OG1 3.1Å
1423R74.9Confident69.4Low166 Ų166129.3 Ų129.363%0.62660%0.599SS**Hα-helixtrans-62.9-43.7177.8-74.5179.1-172.6-165.35.8112.4E1419 R1421 T1426 Q1427E1419-R1423 WeakPolarHBondContact O-CB 3.47Å; E1419-R1423 VanDerWaalsContact O-CG 3.32Å; E1419-R1423 WeakPolarHBondContact O-CG 3.47Å; E1419-R1423 PolarHBondContact O-N 3.45Å; R1421-R1423 VanDerWaalsContact C-N 3.34Å; R1421-R1423 PolarHBondContact O-N 3.13Å; R1423-T1426 VanDerWaalsContact CA-OG1 3.3Å; R1423-T1426 WeakPolarHBondContact CA-OG1 3.25Å; R1423-T1426 PolarHBondContact O-N 3.36Å; R1423-T1426 PolarHBondContact O-OG1 2.98Å; R1423-Q1427 PolarHBondContact O-N 3.43Å
1424K79.4Confident71.9Confident141 Ų141126.7 Ų126.761%0.61359%0.585SS**Hα-helixtrans-60.6-47.1174-85.3-173.7173.9-177.20111.8Q1420 R1421 T1426 Q1427 E1428Q1420-K1424 PolarHBondContact O-N 3.44Å; R1421-K1424 PolarHBondContact O-N 2.83Å; K1424-T1426 VanDerWaalsContact C-N 3.31Å; K1424-T1426 PolarHBondContact O-N 2.94Å; K1424-Q1427 PolarHBondContact O-N 2.95Å; K1424-E1428 WeakPolarHBondContact O-CB 3.28Å; K1424-E1428 PolarHBondContact O-N 3.41Å
1425V81.1Confident74Confident79 Ų79127.3 Ų127.348%0.47958%0.581SS.*Hα-helixtrans-61.2-40.2177.71720000111.4R1421 Q1422 E1428 K1429R1421-V1425 VanDerWaalsContact O-CG2 3.27Å; R1421-V1425 WeakPolarHBondContact O-CG2 3.24Å; R1421-V1425 PolarHBondContact O-N 3.42Å; Q1422-V1425 PolarHBondContact O-N 3.19Å; V1425-E1428 PolarHBondContact O-N 3.14Å; V1425-K1429 HydrophobicContact CG1-CD 4.47Å; V1425-K1429 WeakPolarHBondContact O-CB 3.4Å; V1425-K1429 WeakPolarHBondContact O-CG 3.33Å; V1425-K1429 PolarHBondContact O-N 3.38Å
1426T78Confident76Confident74 Ų74125.1 Ų125.145%0.45457%0.571SS.*Hα-helixtrans-67.8-38.9175.8490000112.9Q1422 R1423 K1424 E1428 K1429 L1430Q1422-T1426 WeakPolarHBondContact O-CG2 3.5Å; Q1422-T1426 PolarHBondContact O-N 2.92Å; Q1422-T1426 PolarHBondContact O-OG1 2.86Å; Q1422-T1426 VanDerWaalsContact O-OG1 3.1Å; R1423-T1426 VanDerWaalsContact CA-OG1 3.3Å; R1423-T1426 WeakPolarHBondContact CA-OG1 3.25Å; R1423-T1426 PolarHBondContact O-N 3.36Å; R1423-T1426 PolarHBondContact O-OG1 2.98Å; K1424-T1426 VanDerWaalsContact C-N 3.31Å; K1424-T1426 PolarHBondContact O-N 2.94Å; T1426-E1428 VanDerWaalsContact C-N 3.34Å; T1426-K1429 PolarHBondContact O-N 3.19Å; T1426-L1430 PolarHBondContact O-N 3.45Å
1427Q82.4Confident78Confident124 Ų124126 Ų12658%0.57957%0.57SS**Hα-helixtrans-65.2-38.5174.9-105.1-177.4-16.800111.9R1423 K1424 L1430 K1431R1423-Q1427 PolarHBondContact O-N 3.43Å; K1424-Q1427 PolarHBondContact O-N 2.95Å; Q1427-L1430 WeakPolarHBondContact O-CB 3.28Å; Q1427-L1430 PolarHBondContact O-N 3.38Å; Q1427-K1431 WeakPolarHBondContact O-CG 3.47Å; Q1427-K1431 PolarHBondContact O-N 3.19Å
1428E81.6Confident79.9Confident108 Ų108125.8 Ų125.851%0.50557%0.569SS.*Hα-helixtrans-73.4-35.4-179.6-159.8144.7-167.800111.9K1424 V1425 T1426 L1430 K1431 R1432K1424-E1428 WeakPolarHBondContact O-CB 3.28Å; K1424-E1428 PolarHBondContact O-N 3.41Å; V1425-E1428 PolarHBondContact O-N 3.14Å; T1426-E1428 VanDerWaalsContact C-N 3.34Å; E1428-L1430 VanDerWaalsContact C-N 3.34Å; E1428-K1431 PolarHBondContact O-N 3.45Å; E1428-R1432 WeakPolarHBondContact O-CG 3.35Å; E1428-R1432 PolarHBondContact O-N 2.82Å
1429K84.2Confident81.5Confident136 Ų136121.4 Ų121.459%0.59156%0.555SS**Hα-helixtrans-62-39.6167.9-77.2-177.4178.6-1750112.2V1425 T1426 K1433V1425-K1429 HydrophobicContact CG1-CD 4.47Å; V1425-K1429 WeakPolarHBondContact O-CB 3.4Å; V1425-K1429 WeakPolarHBondContact O-CG 3.33Å; V1425-K1429 PolarHBondContact O-N 3.38Å; T1426-K1429 PolarHBondContact O-N 3.19Å; K1429-K1433 WeakPolarHBondContact O-CG 3.46Å; K1429-K1433 PolarHBondContact O-N 3.33Å; K1429-K1433 VanDerWaalsContact O-N 3.1Å
1430L83.3Confident83Confident102 Ų102120.3 Ų120.353%0.53455%0.552SS.*Hα-helixtrans-64.1-48.2174.9-86159.7000111.5T1426 Q1427 E1428 R1432 K1433 D1434T1426-L1430 PolarHBondContact O-N 3.45Å; Q1427-L1430 WeakPolarHBondContact O-CB 3.28Å; Q1427-L1430 PolarHBondContact O-N 3.38Å; E1428-L1430 VanDerWaalsContact C-N 3.34Å; L1430-R1432 VanDerWaalsContact C-N 3.32Å; L1430-R1432 PolarHBondContact O-N 3.46Å; L1430-K1433 WeakPolarHBondContact O-CB 3.38Å; L1430-K1433 PolarHBondContact O-N 2.99Å; L1430-K1433 VanDerWaalsContact O-N 3.09Å; L1430-D1434 PolarHBondContact O-N 3.49Å
1431K88.1Confident84.3Confident147 Ų147120.5 Ų120.564%0.63955%0.551SS**Hα-helixtrans-59.1-40176.9-72.8-178.9178.6-173.90113.3Q1427 E1428 D1434 Y1435Q1427-K1431 WeakPolarHBondContact O-CG 3.47Å; Q1427-K1431 PolarHBondContact O-N 3.19Å; E1428-K1431 PolarHBondContact O-N 3.45Å; K1431-D1434 PolarHBondContact O-N 3.05Å; K1431-Y1435 PolarHBondContact O-N 3.49Å
1432R82.5Confident85.4Confident177 Ų177117.1 Ų117.167%0.66855%0.546SS*.Hα-helixtrans-63.9-41.8175.2-73.2178.9-171.4-175.82.5111.6E1428 L1430 Y1435 E1436E1428-R1432 WeakPolarHBondContact O-CG 3.35Å; E1428-R1432 PolarHBondContact O-N 2.82Å; L1430-R1432 VanDerWaalsContact C-N 3.32Å; L1430-R1432 PolarHBondContact O-N 3.46Å; R1432-Y1435 PolarHBondContact O-N 2.85Å; R1432-E1436 WeakPolarHBondContact O-CB 3.5Å; R1432-E1436 PolarHBondContact O-N 3.15Å
1433K88.9Confident86.3Confident131 Ų131116.5 Ų116.557%0.5754%0.544SS*.Hα-helixtrans-64.7-40.8175.2-75.6-174.9173.2-168.80112.3K1429 L1430 Y1435 E1436 I1437K1429-K1433 WeakPolarHBondContact O-CG 3.46Å; K1429-K1433 PolarHBondContact O-N 3.33Å; K1429-K1433 VanDerWaalsContact O-N 3.1Å; L1430-K1433 WeakPolarHBondContact O-CB 3.38Å; L1430-K1433 PolarHBondContact O-N 2.99Å; L1430-K1433 VanDerWaalsContact O-N 3.09Å; K1433-Y1435 VanDerWaalsContact C-N 3.33Å; K1433-Y1435 PolarHBondContact O-N 3.23Å; K1433-E1436 PolarHBondContact O-N 2.95Å; K1433-I1437 WeakPolarHBondContact O-CB 3.49Å; K1433-I1437 WeakPolarHBondContact O-CG1 3.36Å; K1433-I1437 PolarHBondContact O-N 3.28Å
1434D91.9Very high87.1Confident91 Ų91114.1 Ų114.149%0.48754%0.543SS..Hα-helixtrans-63.9-40.9177.1-66.6-29.5000111.2L1430 K1431 I1437 D1438L1430-D1434 PolarHBondContact O-N 3.49Å; K1431-D1434 PolarHBondContact O-N 3.05Å; D1434-I1437 PolarHBondContact O-N 2.95Å; D1434-D1438 PolarHBondContact O-N 3.48Å
1435Y86.9Confident87.8Confident177 Ų177112.1 Ų112.169%0.69454%0.536SS*.Hα-helixtrans-65.7-40.3175.5-160-89.4000112.6K1431 R1432 K1433 D1438 T1439K1431-Y1435 PolarHBondContact O-N 3.49Å; R1432-Y1435 PolarHBondContact O-N 2.85Å; K1433-Y1435 VanDerWaalsContact C-N 3.33Å; K1433-Y1435 PolarHBondContact O-N 3.23Å; Y1435-D1438 PolarHBondContact O-N 2.89Å; Y1435-T1439 HydrophobicContact CE1-CG2 4.26Å; Y1435-T1439 PolarHBondContact O-N 2.93Å; Y1435-T1439 PolarHBondContact O-OG1 2.83Å
1436E89.4Confident88.3Confident117 Ų117113.1 Ų113.155%0.54754%0.535SS..Hα-helixtrans-64.3-40.3174.8-170.7174.8-170.300111.6R1432 K1433 T1439 L1440R1432-E1436 WeakPolarHBondContact O-CB 3.5Å; R1432-E1436 PolarHBondContact O-N 3.15Å; K1433-E1436 PolarHBondContact O-N 2.95Å; E1436-T1439 VanDerWaalsContact CA-OG1 3.27Å; E1436-T1439 WeakPolarHBondContact CA-OG1 3.21Å; E1436-T1439 PolarHBondContact O-N 2.9Å; E1436-T1439 PolarHBondContact O-OG1 2.81Å; E1436-T1439 VanDerWaalsContact O-OG1 3.05Å; E1436-L1440 HydrophobicContact CG-CD1 4.36Å; E1436-L1440 WeakPolarHBondContact O-CB 3.18Å; E1436-L1440 VanDerWaalsContact O-CG 3.28Å; E1436-L1440 WeakPolarHBondContact O-CG 3.37Å; E1436-L1440 PolarHBondContact O-N 2.98Å
1437I90Very high89Confident82 Ų82118.1 Ų118.142%0.42155%0.546SS..Hα-helixtrans-63.7-44.1175.5-72.3165.5000111.1K1433 D1434 L1440 K1441K1433-I1437 WeakPolarHBondContact O-CB 3.49Å; K1433-I1437 WeakPolarHBondContact O-CG1 3.36Å; K1433-I1437 PolarHBondContact O-N 3.28Å; D1434-I1437 PolarHBondContact O-N 2.95Å; I1437-L1440 PolarHBondContact O-N 2.88Å; I1437-K1441 HydrophobicContact CG2-CD 4.38Å; I1437-K1441 WeakPolarHBondContact O-CG 3.19Å; I1437-K1441 PolarHBondContact O-N 3.23Å
1438D91.7Very high89.5Confident89 Ų89117 Ų11748%0.47654%0.543SS..Hα-helixtrans-69.9-35.5179.3-85.1-4.9000112.7D1434 Y1435 K1441 N1442D1434-D1438 PolarHBondContact O-N 3.48Å; Y1435-D1438 PolarHBondContact O-N 2.89Å; D1438-K1441 PolarHBondContact O-N 3.35Å; D1438-K1441 IonicContact OD1-NZ 2.93Å; D1438-K1441 PolarHBondContact OD1-NZ 3.29Å; D1438-N1442 PolarHBondContact O-N 3.29Å
1439T91.3Very high90.1Very high57 Ų57117.9 Ų117.935%0.3555%0.546SS..Hα-helixtrans-64.8-42.2172.127.70000111.9Y1435 E1436 N1442 Q1443Y1435-T1439 HydrophobicContact CE1-CG2 4.26Å; Y1435-T1439 PolarHBondContact O-N 2.93Å; Y1435-T1439 PolarHBondContact O-OG1 2.83Å; E1436-T1439 VanDerWaalsContact CA-OG1 3.27Å; E1436-T1439 WeakPolarHBondContact CA-OG1 3.21Å; E1436-T1439 PolarHBondContact O-N 2.9Å; E1436-T1439 PolarHBondContact O-OG1 2.81Å; E1436-T1439 VanDerWaalsContact O-OG1 3.05Å; T1439-N1442 PolarHBondContact O-N 3.39Å; T1439-Q1443 WeakPolarHBondContact O-CG 3.08Å; T1439-Q1443 PolarHBondContact O-N 3.32Å; T1439-Q1443 VanDerWaalsContact O-N 3.07Å
1440L91.7Very high90.5Very high98 Ų98119 Ų11951%0.51355%0.546SS..Hα-helixtrans-65-38.2175.3-72.5172.1000112.6E1436 I1437 Q1443 L1444E1436-L1440 HydrophobicContact CG-CD1 4.36Å; E1436-L1440 WeakPolarHBondContact O-CB 3.18Å; E1436-L1440 VanDerWaalsContact O-CG 3.28Å; E1436-L1440 WeakPolarHBondContact O-CG 3.37Å; E1436-L1440 PolarHBondContact O-N 2.98Å; I1437-L1440 PolarHBondContact O-N 2.88Å; L1440-Q1443 PolarHBondContact O-N 3.12Å; L1440-L1444 WeakPolarHBondContact O-CB 3.35Å; L1440-L1444 PolarHBondContact O-N 3.01Å
1441K92.3Very high90.9Very high121 Ų121119 Ų11953%0.52655%0.546SS..Hα-helixtrans-61.4-45.4173.9-77.2175.1-172161.90112.1I1437 D1438 Q1443 L1444 E1445I1437-K1441 HydrophobicContact CG2-CD 4.38Å; I1437-K1441 WeakPolarHBondContact O-CG 3.19Å; I1437-K1441 PolarHBondContact O-N 3.23Å; D1438-K1441 PolarHBondContact O-N 3.35Å; D1438-K1441 IonicContact OD1-NZ 2.93Å; D1438-K1441 PolarHBondContact OD1-NZ 3.29Å; K1441-Q1443 PolarHBondContact O-N 3.49Å; K1441-L1444 WeakPolarHBondContact O-CB 3.28Å; K1441-L1444 PolarHBondContact O-N 2.85Å; K1441-E1445 PolarHBondContact O-N 2.89Å
1442N91.6Very high91.1Very high108 Ų108117.5 Ų117.558%0.57854%0.541SS*.Hα-helixtrans-62.1-43.2177.9-79-18.4000111.8D1438 T1439 L1444 E1445 E1446D1438-N1442 PolarHBondContact O-N 3.29Å; T1439-N1442 PolarHBondContact O-N 3.39Å; N1442-L1444 VanDerWaalsContact C-N 3.31Å; N1442-L1444 PolarHBondContact O-N 3.33Å; N1442-E1445 PolarHBondContact O-N 3.06Å; N1442-E1446 PolarHBondContact O-N 2.98Å
1443Q91.4Very high91.6Very high121 Ų121114.2 Ų114.257%0.56554%0.537SS*.Hα-helixtrans-63-37.9175.7-71.2177.911.300112.1T1439 L1440 K1441 E1446 R1447T1439-Q1443 WeakPolarHBondContact O-CG 3.08Å; T1439-Q1443 PolarHBondContact O-N 3.32Å; T1439-Q1443 VanDerWaalsContact O-N 3.07Å; L1440-Q1443 PolarHBondContact O-N 3.12Å; K1441-Q1443 PolarHBondContact O-N 3.49Å; Q1443-E1446 PolarHBondContact O-N 2.92Å; Q1443-R1447 WeakPolarHBondContact O-CB 3.29Å; Q1443-R1447 PolarHBondContact O-N 3.35Å
1444L91.8Very high91.7Very high116 Ų116112.7 Ų112.761%0.60753%0.534SS*.Hα-helixtrans-67.4-39.9177.2-158.8113.9000111.8L1440 K1441 N1442 R1447 N1448L1440-L1444 WeakPolarHBondContact O-CB 3.35Å; L1440-L1444 PolarHBondContact O-N 3.01Å; K1441-L1444 WeakPolarHBondContact O-CB 3.28Å; K1441-L1444 PolarHBondContact O-N 2.85Å; N1442-L1444 VanDerWaalsContact C-N 3.31Å; N1442-L1444 PolarHBondContact O-N 3.33Å; L1444-R1447 PolarHBondContact O-N 3.4Å; L1444-N1448 PolarHBondContact O-N 3.23Å
1445E93.8Very high91.7Very high100 Ų100111.7 Ų111.747%0.46753%0.534SS..Hα-helixtrans-64.4-43.1175.4-164.8-173.2147.400111.7K1441 N1442 R1447 N1448 K1449K1441-E1445 PolarHBondContact O-N 2.89Å; N1442-E1445 PolarHBondContact O-N 3.06Å; E1445-R1447 VanDerWaalsContact C-N 3.32Å; E1445-R1447 PolarHBondContact O-N 2.8Å; E1445-N1448 PolarHBondContact O-N 3.18Å; E1445-K1449 WeakPolarHBondContact O-CG 3.31Å; E1445-K1449 PolarHBondContact O-N 3.36Å; E1445-K1449 VanDerWaalsContact OE1-CE 3.29Å; E1445-K1449 WeakPolarHBondContact OE1-CE 3.44Å; E1445-K1449 IonicContact OE1-NZ 2.86Å; E1445-K1449 PolarHBondContact OE1-NZ 2.6Å
1446E91.5Very high92Very high100 Ų100107.1 Ų107.147%0.46752%0.522SS..Hα-helixtrans-63.7-38.9176-161.4-175.3171.600111.8N1442 Q1443 K1449 R1450N1442-E1446 PolarHBondContact O-N 2.98Å; Q1443-E1446 PolarHBondContact O-N 2.92Å; E1446-K1449 PolarHBondContact O-N 3.24Å; E1446-R1450 PolarHBondContact O-N 2.74Å; E1446-R1450 IonicContact OE1-CZ 2.7Å; E1446-R1450 IonicContact OE1-NH2 3.41Å; E1446-R1450 PolarHBondContact OE1-NH2 2.8Å
1447R91.8Very high91.9Very high179 Ų179106.5 Ų106.568%0.67552%0.519SS*.Hα-helixtrans-62.9-42.8174-120.5-177.6144.880.33.4112.3Q1443 L1444 E1445 R1450 L1451Q1443-R1447 WeakPolarHBondContact O-CB 3.29Å; Q1443-R1447 PolarHBondContact O-N 3.35Å; L1444-R1447 PolarHBondContact O-N 3.4Å; E1445-R1447 VanDerWaalsContact C-N 3.32Å; E1445-R1447 PolarHBondContact O-N 2.8Å; R1447-R1450 PolarHBondContact O-N 2.84Å; R1447-L1451 PolarHBondContact O-N 3.35Å
1448N93.8Very high91.6Very high99 Ų99107.6 Ų107.653%0.52952%0.524SS..Hα-helixtrans-63.5-40.6175.5-91-9.1000112L1444 E1445 R1450 L1451 Q1452L1444-N1448 PolarHBondContact O-N 3.23Å; E1445-N1448 PolarHBondContact O-N 3.18Å; N1448-R1450 VanDerWaalsContact C-N 3.35Å; N1448-R1450 PolarHBondContact O-N 2.79Å; N1448-L1451 PolarHBondContact O-N 3.38Å; N1448-Q1452 PolarHBondContact O-N 3.5Å
1449K93.7Very high91.2Very high127 Ų127109.4 Ų109.455%0.55253%0.531SS*.Hα-helixtrans-60.9-42.2174.5-72.8172.9-175.4163.70112E1445 E1446 Q1452 L1453E1445-K1449 WeakPolarHBondContact O-CG 3.31Å; E1445-K1449 PolarHBondContact O-N 3.36Å; E1445-K1449 VanDerWaalsContact OE1-CE 3.29Å; E1445-K1449 WeakPolarHBondContact OE1-CE 3.44Å; E1445-K1449 IonicContact OE1-NZ 2.86Å; E1445-K1449 PolarHBondContact OE1-NZ 2.6Å; E1446-K1449 PolarHBondContact O-N 3.24Å; K1449-Q1452 PolarHBondContact O-N 2.82Å; K1449-L1453 PolarHBondContact O-N 2.86Å
1450R93.4Very high90.9Very high159 Ų159113.8 Ų113.860%0.655%0.545SS*.Hα-helixtrans-64.9-40.8175.7-74.7-178.4-174.4156.211.7112.7E1446 R1447 N1448 L1453 L1454E1446-R1450 PolarHBondContact O-N 2.74Å; E1446-R1450 IonicContact OE1-CZ 2.7Å; E1446-R1450 IonicContact OE1-NH2 3.41Å; E1446-R1450 PolarHBondContact OE1-NH2 2.8Å; R1447-R1450 PolarHBondContact O-N 2.84Å; N1448-R1450 VanDerWaalsContact C-N 3.35Å; N1448-R1450 PolarHBondContact O-N 2.79Å; R1450-L1453 PolarHBondContact O-N 3.47Å; R1450-L1454 WeakPolarHBondContact O-CB 3.2Å; R1450-L1454 PolarHBondContact O-N 3.41Å
1451L91.3Very high90.3Very high104 Ų104113.9 Ų113.955%0.54554%0.544SS..Hα-helixtrans-64.7-41.2176.2-80.6167.5000112.1R1447 N1448 L1454 S1455R1447-L1451 PolarHBondContact O-N 3.35Å; N1448-L1451 PolarHBondContact O-N 3.38Å; L1451-L1454 PolarHBondContact O-N 2.84Å; L1451-S1455 WeakPolarHBondContact O-CB 3.19Å; L1451-S1455 PolarHBondContact O-N 3.19Å
1452Q92.7Very high89.6Confident114 Ų114115.4 Ų115.453%0.53355%0.546SS..Hα-helixtrans-62.2-45.9175.6-168.564.537.500111.2N1448 K1449 L1454 S1455 D1456N1448-Q1452 PolarHBondContact O-N 3.5Å; K1449-Q1452 PolarHBondContact O-N 2.82Å; Q1452-L1454 VanDerWaalsContact C-N 3.3Å; Q1452-L1454 PolarHBondContact O-N 3.46Å; Q1452-S1455 WeakPolarHBondContact O-CB 3.17Å; Q1452-S1455 PolarHBondContact O-N 2.81Å; Q1452-S1455 VanDerWaalsContact O-N 3.16Å; Q1452-D1456 PolarHBondContact NE2-OD1 3.36Å; Q1452-D1456 VanDerWaalsContact O-CG 3.3Å; Q1452-D1456 PolarHBondContact O-N 2.95Å
1453L93.2Very high89Confident108 Ų108115.7 Ų115.757%0.56555%0.545SS*.Hα-helixtrans-59.6-41.3176.8-167.380.1000112K1449 R1450 D1456 Q1457K1449-L1453 PolarHBondContact O-N 2.86Å; R1450-L1453 PolarHBondContact O-N 3.47Å; L1453-D1456 PolarHBondContact O-N 3.27Å; L1453-Q1457 WeakPolarHBondContact O-CB 3.33Å; L1453-Q1457 WeakPolarHBondContact O-CG 3.3Å; L1453-Q1457 PolarHBondContact O-N 2.76Å
1454L91.4Very high88.1Confident100 Ų100117.8 Ų117.852%0.52456%0.555SS.*Hα-helixtrans-67.1-39.4177.1-163.477.1000111.6R1450 L1451 Q1452 Q1457 M1458R1450-L1454 WeakPolarHBondContact O-CB 3.2Å; R1450-L1454 PolarHBondContact O-N 3.41Å; L1451-L1454 PolarHBondContact O-N 2.84Å; Q1452-L1454 VanDerWaalsContact C-N 3.3Å; Q1452-L1454 PolarHBondContact O-N 3.46Å; L1454-Q1457 PolarHBondContact O-N 3.27Å; L1454-M1458 WeakPolarHBondContact O-CB 3.43Å; L1454-M1458 VanDerWaalsContact O-CG 3.24Å; L1454-M1458 WeakPolarHBondContact O-CG 3.41Å; L1454-M1458 PolarHBondContact O-N 3.44Å
1455S91.7Very high87.4Confident69 Ų69118.8 Ų118.848%0.48356%0.558SS.*Hα-helixtrans-62-44174-173.70000111.5L1451 Q1452 M1458 M1459L1451-S1455 WeakPolarHBondContact O-CB 3.19Å; L1451-S1455 PolarHBondContact O-N 3.19Å; Q1452-S1455 WeakPolarHBondContact O-CB 3.17Å; Q1452-S1455 PolarHBondContact O-N 2.81Å; Q1452-S1455 VanDerWaalsContact O-N 3.16Å; S1455-M1458 WeakPolarHBondContact O-CB 3.5Å; S1455-M1458 PolarHBondContact O-N 3.47Å; S1455-M1459 WeakPolarHBondContact O-CB 3.42Å; S1455-M1459 PolarHBondContact O-N 2.83Å
1456D91.8Very high85.8Confident82 Ų82117.1 Ų117.144%0.43957%0.568SS.*Hα-helixtrans-66.5-39.4177.6-65.6-12.8000111.1Q1452 L1453 M1459 K1460Q1452-D1456 PolarHBondContact NE2-OD1 3.36Å; Q1452-D1456 VanDerWaalsContact O-CG 3.3Å; Q1452-D1456 PolarHBondContact O-N 2.95Å; L1453-D1456 PolarHBondContact O-N 3.27Å; D1456-M1459 PolarHBondContact O-N 2.88Å; D1456-K1460 WeakPolarHBondContact O-CB 3.14Å; D1456-K1460 PolarHBondContact O-N 3.43Å
1457Q87.7Confident84.4Confident104 Ų104115.6 Ų115.649%0.48656%0.563SS.*Hα-helixtrans-62.8-42.8173-78.1-179.7-10.800112.2L1453 L1454 M1459 K1460 M1461L1453-Q1457 WeakPolarHBondContact O-CB 3.33Å; L1453-Q1457 WeakPolarHBondContact O-CG 3.3Å; L1453-Q1457 PolarHBondContact O-N 2.76Å; L1454-Q1457 PolarHBondContact O-N 3.27Å; Q1457-M1459 VanDerWaalsContact C-N 3.34Å; Q1457-K1460 WeakPolarHBondContact O-CB 3.34Å; Q1457-K1460 PolarHBondContact O-N 2.77Å; Q1457-M1461 WeakPolarHBondContact O-CG 3.24Å; Q1457-M1461 PolarHBondContact O-N 2.84Å
1458M83.2Confident82.7Confident105 Ų105113.4 Ų113.452%0.51756%0.56SS.*Hα-helixtrans-61.7-41.8174.5-77.5-84.3-66.900111.8L1454 S1455 M1461 R1462L1454-M1458 WeakPolarHBondContact O-CB 3.43Å; L1454-M1458 VanDerWaalsContact O-CG 3.24Å; L1454-M1458 WeakPolarHBondContact O-CG 3.41Å; L1454-M1458 PolarHBondContact O-N 3.44Å; S1455-M1458 WeakPolarHBondContact O-CB 3.5Å; S1455-M1458 PolarHBondContact O-N 3.47Å; M1458-M1461 HydrophobicContact CG-CE 4.27Å; M1458-M1461 PolarHBondContact O-N 3.38Å; M1458-M1461 HydrophobicContact SD-CE 3.87Å; M1458-R1462 PolarHBondContact O-N 3.35Å
1459M85.1Confident80.4Confident126 Ų126116.3 Ų116.362%0.62158%0.576SS**Hα-helixtrans-64.2-41.8175-163.9174.5-162.300111S1455 D1456 Q1457 M1461 R1462 M1463S1455-M1459 WeakPolarHBondContact O-CB 3.42Å; S1455-M1459 PolarHBondContact O-N 2.83Å; D1456-M1459 PolarHBondContact O-N 2.88Å; Q1457-M1459 VanDerWaalsContact C-N 3.34Å; M1459-M1461 PolarHBondContact O-N 2.68Å; M1459-R1462 WeakPolarHBondContact O-CB 3.18Å; M1459-R1462 PolarHBondContact O-N 2.84Å; M1459-M1463 WeakPolarHBondContact O-CG 3.28Å; M1459-M1463 PolarHBondContact O-N 2.86Å
1460K83.2Confident77.8Confident150 Ų150120.1 Ų120.165%0.65260%0.6SS**Hα-helixtrans-62.9-40.9175.3-133.5175.3-174178.30112.6D1456 Q1457 M1463 Q1464D1456-K1460 WeakPolarHBondContact O-CB 3.14Å; D1456-K1460 PolarHBondContact O-N 3.43Å; Q1457-K1460 WeakPolarHBondContact O-CB 3.34Å; Q1457-K1460 PolarHBondContact O-N 2.77Å; K1460-M1463 PolarHBondContact O-N 3.5Å; K1460-Q1464 WeakPolarHBondContact O-CB 3.32Å; K1460-Q1464 PolarHBondContact O-N 3.41Å
1461M79.8Confident77Confident100 Ų100118.2 Ų118.249%0.49360%0.6SS.*Hα-helixtrans-66.4-41.6174-73.4-170.7-62.100111.3Q1457 M1458 M1459 M1463 Q1464 M1465Q1457-M1461 WeakPolarHBondContact O-CG 3.24Å; Q1457-M1461 PolarHBondContact O-N 2.84Å; M1458-M1461 HydrophobicContact CG-CE 4.27Å; M1458-M1461 PolarHBondContact O-N 3.38Å; M1458-M1461 HydrophobicContact SD-CE 3.87Å; M1459-M1461 PolarHBondContact O-N 2.68Å; M1461-M1463 PolarHBondContact O-N 2.92Å; M1461-Q1464 PolarHBondContact O-N 2.82Å; M1461-M1465 VanDerWaalsContact O-CG 3.29Å; M1461-M1465 WeakPolarHBondContact O-CG 3.25Å; M1461-M1465 PolarHBondContact O-N 3.39Å
1462R78.6Confident76.3Confident153 Ų153118.9 Ų118.958%0.57760%0.603SS**Hα-helixtrans-59.3-44.3173.8-89-177.6170.9-113.81.1112.2M1458 M1459 M1465 G1466 L1467M1458-R1462 PolarHBondContact O-N 3.35Å; M1459-R1462 WeakPolarHBondContact O-CB 3.18Å; M1459-R1462 PolarHBondContact O-N 2.84Å; R1462-M1465 PolarHBondContact O-N 2.93Å; R1462-G1466 PolarHBondContact O-N 3.48Å; R1462-L1467 PolarHBondContact O-N 3.46Å
1463M77.8Confident75.4Confident113 Ų113119.2 Ų119.256%0.55761%0.607SS**Hα-helixtrans-64-40.5174.4-71.1-163.283.800112.1M1459 K1460 M1461 M1465 G1466 E1468M1459-M1463 WeakPolarHBondContact O-CG 3.28Å; M1459-M1463 PolarHBondContact O-N 2.86Å; K1460-M1463 PolarHBondContact O-N 3.5Å; M1461-M1463 PolarHBondContact O-N 2.92Å; M1463-M1465 VanDerWaalsContact C-N 3.31Å; M1463-M1465 PolarHBondContact O-N 3.18Å; M1463-G1466 PolarHBondContact O-N 3.47Å; M1463-E1468 WeakPolarHBondContact CE-OE1 3.35Å
1464Q73.5Confident74.3Confident165 Ų165119.8 Ų119.877%0.77161%0.609SS**Hα-helixtrans-66.6-30.6176.3-85-176.9-27.600113.4K1460 M1461 G1466K1460-Q1464 WeakPolarHBondContact O-CB 3.32Å; K1460-Q1464 PolarHBondContact O-N 3.41Å; M1461-Q1464 PolarHBondContact O-N 2.82Å; Q1464-G1466 VanDerWaalsContact C-N 3.3Å
1465M75.4Confident73.2Confident137 Ų137121.1 Ų121.168%0.67562%0.615SS**THydrogen-bonded Turntrans-86.24.1178.2-61.7-140.4-53.400113.6M1461 R1462 M1463 L1467M1461-M1465 VanDerWaalsContact O-CG 3.29Å; M1461-M1465 WeakPolarHBondContact O-CG 3.25Å; M1461-M1465 PolarHBondContact O-N 3.39Å; R1462-M1465 PolarHBondContact O-N 2.93Å; M1463-M1465 VanDerWaalsContact C-N 3.31Å; M1463-M1465 PolarHBondContact O-N 3.18Å; M1465-L1467 HydrophobicContact CB-CD1 4.16Å; M1465-L1467 HydrophobicContact CB-CG 4.19Å; M1465-L1467 HydrophobicContact CE-CD1 3.74Å; M1465-L1467 PolarHBondContact O-N 3.27Å
1466G60.4Low72Confident65 Ų65124.5 Ų124.567%0.6762%0.623SS**THydrogen-bonded Turntrans63.722.9177.500000114.2R1462 M1463 Q1464 E1468R1462-G1466 PolarHBondContact O-N 3.48Å; M1463-G1466 PolarHBondContact O-N 3.47Å; Q1464-G1466 VanDerWaalsContact C-N 3.3Å; G1466-E1468 VanDerWaalsContact C-N 3.25Å; G1466-E1468 PolarHBondContact O-N 3.34Å
1467L62.7Low70.6Confident68 Ų68127.6 Ų127.636%0.35664%0.637SS.*THydrogen-bonded Turntrans-89.239.6-177.8-69.4172.9000112.4R1462 M1465 I1470R1462-L1467 PolarHBondContact O-N 3.46Å; M1465-L1467 HydrophobicContact CB-CD1 4.16Å; M1465-L1467 HydrophobicContact CB-CG 4.19Å; M1465-L1467 HydrophobicContact CE-CD1 3.74Å; M1465-L1467 PolarHBondContact O-N 3.27Å; L1467-I1470 HydrophobicContact CD2-CD1 4Å
1468E55.3Low69.3Low133 Ų133129.4 Ų129.462%0.62165%0.648SS**THydrogen-bonded Turntrans-81-20.1176.8-81.4-173.7153.800113.5M1463 G1466M1463-E1468 WeakPolarHBondContact CE-OE1 3.35Å; G1466-E1468 VanDerWaalsContact C-N 3.25Å; G1466-E1468 PolarHBondContact O-N 3.34Å
1469D46.2Very low68.1Low161 Ų161131.4 Ų131.486%0.86166%0.659SS**  trans-13149.7-172.5-71.8-34.8000114.9
1470I39.4Very low66.6Low206 Ų206131.9 Ų131.9100%1.05666%0.663SS**  trans-1270159.4-49.8176.5000108.2L1467L1467-I1470 HydrophobicContact CD2-CD1 4Å

Retrieved 1,470 of 1,470 residues in 1487.7 ms (Link to these results)