A0A3Q0KMB2_SCHMA Loading...

Mitogen-activated protein kinase AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KMB2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 653 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
1M45.8Very low76.6Confident212 Ų21277.2 Ų77.2100%1.04441%0.406SS*.  0-37.60-70.9-177177.800114.2Q3 L4M1-Q3 VanDerWaalsContact C-N 3.26Å; M1-Q3 PolarHBondContact O-N 2.66Å; M1-Q3 VanDerWaalsContact O-N 3.07Å; M1-L4 PolarHBondContact O-N 2.77Å
2T56.8Low77.9Confident56 Ų5684.5 Ų84.534%0.34443%0.432SS..G310 helixtrans-56.2-25.1-173.940.50000117.1
3Q58.1Low79.1Confident138 Ų13884.1 Ų84.165%0.64543%0.432SS*.G310 helixtrans-75.6-22.8-178.9-72.9172.2-21.300113.9M1 E5 V6M1-Q3 VanDerWaalsContact C-N 3.26Å; M1-Q3 PolarHBondContact O-N 2.66Å; M1-Q3 VanDerWaalsContact O-N 3.07Å; Q3-E5 PolarHBondContact O-N 2.86Å; Q3-V6 PolarHBondContact O-N 3.25Å
4L62.2Low80.3Confident162 Ų16279.3 Ų79.385%0.84841%0.406SS*.G310 helixtrans-71.2-17.6-177.7-68.2169000113.5M1M1-L4 PolarHBondContact O-N 2.77Å
5E80.1Confident81.4Confident59 Ų5978.6 Ų78.628%0.27641%0.407SS..G310 helixtrans-90.11.5177.8-63.9177.4125.400112.6Q3 K22 I27 W29Q3-E5 PolarHBondContact O-N 2.86Å; E5-K22 IonicContact OE1-NZ 2.93Å; E5-K22 PolarHBondContact OE1-NZ 2.59Å; E5-I27 WeakPolarHBondContact OE1-CD1 3.45Å; E5-I27 WeakPolarHBondContact OE2-CD1 3.48Å; E5-W29 HydrophobicContact CB-CH2 4.2Å; E5-W29 HydrophobicContact CB-CZ2 3.6Å
6V86.9Confident82.3Confident10 Ų1074.9 Ų74.96%0.06139%0.388CS..SBendtrans-132.6124.4-169.5-176.70000112.7Q3 I10 L11 I16 W29 Y90Q3-V6 PolarHBondContact O-N 3.25Å; V6-I10 HydrophobicContact CG1-CB 3.76Å; V6-I10 HydrophobicContact CG1-CG1 4.45Å; V6-I10 HydrophobicContact CG1-CG2 3.69Å; V6-L11 HydrophobicContact CB-CD2 4.21Å; V6-L11 HydrophobicContact CG1-CD2 3.75Å; V6-L11 HydrophobicContact CG1-CG 4.04Å; V6-I16 HydrophobicContact CB-CG1 4.49Å; V6-I16 HydrophobicContact CG1-CD1 4.2Å; V6-I16 HydrophobicContact CG1-CG1 4.2Å; V6-I16 HydrophobicContact CG2-CD1 4.41Å; V6-I16 HydrophobicContact CG2-CG1 4.2Å; V6-W29 HydrophobicContact CG2-CD2 4.26Å; V6-W29 HydrophobicContact CG2-CE3 4.17Å; V6-W29 HydrophobicContact CG2-CH2 3.46Å; V6-W29 VanDerWaalsContact CG2-CH2 3.46Å; V6-W29 HydrophobicContact CG2-CZ2 3.58Å; V6-W29 HydrophobicContact CG2-CZ3 3.77Å; V6-Y90 HydrophobicContact CG1-CE1 4.47Å
7E89.5Confident83Confident24 Ų2475.4 Ų75.411%0.11239%0.387CS..  trans-69.7151.3-174-74149.1-133.200114.9V9 I10 L11 K44 A83 E84 Y90E7-V9 VanDerWaalsContact C-N 3.34Å; E7-V9 HydrophobicContact CB-CG1 4.35Å; E7-V9 PolarHBondContact O-N 3.23Å; E7-I10 HydrophobicContact CB-CG1 4.43Å; E7-I10 WeakPolarHBondContact O-CB 3.44Å; E7-I10 PolarHBondContact O-N 3.1Å; E7-L11 PolarHBondContact O-N 2.7Å; E7-L11 VanDerWaalsContact O-N 3.13Å; E7-K44 IonicContact OE1-NZ 2.69Å; E7-K44 PolarHBondContact OE1-NZ 3.28Å; E7-A83 VanDerWaalsContact OE2-CA 3.23Å; E7-A83 WeakPolarHBondContact OE2-CA 3.25Å; E7-A83 VanDerWaalsContact OE2-CB 3.25Å; E7-A83 WeakPolarHBondContact OE2-CB 3.23Å; E7-E84 PolarHBondContact OE2-N 2.76Å; E7-Y90 PolarHBondContact N-OH 2.99Å; E7-Y90 VanDerWaalsContact N-OH 3.17Å; E7-Y90 WeakPolarHBondContact OE1-CE2 3.03Å; E7-Y90 PolarHBondContact OE1-OH 3.21Å
8P89Confident83.7Confident89 Ų8974.8 Ų74.858%0.57838%0.38SS*.Hα-helixtrans-54.6-39.8-179.1-27.336.3000114.7I10 L11 K12P8-I10 PolarHBondContact O-N 2.9Å; P8-L11 PolarHBondContact O-N 3.21Å; P8-L11 VanDerWaalsContact O-N 3.17Å; P8-K12 PolarHBondContact O-N 3.4Å
9V87Confident84.2Confident55 Ų5577.9 Ų77.933%0.33339%0.386SS..Hα-helixtrans-58.3-31.6176.167.30000113.4E7 N13 E84E7-V9 VanDerWaalsContact C-N 3.34Å; E7-V9 HydrophobicContact CB-CG1 4.35Å; E7-V9 PolarHBondContact O-N 3.23Å; V9-N13 PolarHBondContact O-ND2 3.43Å; V9-N13 VanDerWaalsContact O-ND2 3.16Å; V9-E84 HydrophobicContact CB-CG 4.42Å; V9-E84 WeakPolarHBondContact CB-OE1 3.43Å; V9-E84 HydrophobicContact CG1-CG 3.85Å; V9-E84 WeakPolarHBondContact CG1-OE1 3.45Å; V9-E84 PolarHBondContact N-OE1 2.94Å
10I93Very high84.5Confident0 Ų077.4 Ų77.40%038%0.384CS..Hα-helixtrans-76.7-48.5175.7-52.6-59.7000109.5V6 E7 P8 K12 N13 Y14 L42 I81 Y90V6-I10 HydrophobicContact CG1-CB 3.76Å; V6-I10 HydrophobicContact CG1-CG1 4.45Å; V6-I10 HydrophobicContact CG1-CG2 3.69Å; E7-I10 HydrophobicContact CB-CG1 4.43Å; E7-I10 WeakPolarHBondContact O-CB 3.44Å; E7-I10 PolarHBondContact O-N 3.1Å; P8-I10 PolarHBondContact O-N 2.9Å; I10-K12 PolarHBondContact O-N 2.96Å; I10-K12 VanDerWaalsContact O-N 3.16Å; I10-N13 PolarHBondContact O-N 3.02Å; I10-Y14 HydrophobicContact CG2-CD2 3.87Å; I10-Y14 WeakPolarHBondContact O-CD2 3.18Å; I10-Y14 PolarHBondContact O-N 2.88Å; I10-L42 HydrophobicContact CG2-CD1 4.37Å; I10-L42 HydrophobicContact CG2-CD2 3.71Å; I10-I81 HydrophobicContact CD1-CB 4.19Å; I10-I81 HydrophobicContact CD1-CD1 3.92Å; I10-I81 HydrophobicContact CD1-CG2 3.73Å; I10-Y90 HydrophobicContact CD1-CD1 4.2Å; I10-Y90 HydrophobicContact CD1-CD2 3.71Å; I10-Y90 HydrophobicContact CD1-CE2 4.1Å; I10-Y90 HydrophobicContact CD1-CG 3.75Å; I10-Y90 HydrophobicContact CG1-CD1 4.1Å; I10-Y90 HydrophobicContact CG1-CD2 3.91Å; I10-Y90 HydrophobicContact CG1-CE1 3.97Å; I10-Y90 HydrophobicContact CG1-CE2 3.78Å; I10-Y90 HydrophobicContact CG1-CG 4.06Å
11L93.7Very high84.6Confident44 Ų4475 Ų7523%0.2338%0.379CS..Hα-helixtrans-61.4-23.7178.9-61.6-179.7000113.1V6 E7 P8 N13 I16 K34V6-L11 HydrophobicContact CB-CD2 4.21Å; V6-L11 HydrophobicContact CG1-CD2 3.75Å; V6-L11 HydrophobicContact CG1-CG 4.04Å; E7-L11 PolarHBondContact O-N 2.7Å; E7-L11 VanDerWaalsContact O-N 3.13Å; P8-L11 PolarHBondContact O-N 3.21Å; P8-L11 VanDerWaalsContact O-N 3.17Å; L11-N13 VanDerWaalsContact C-N 3.28Å; L11-N13 PolarHBondContact O-N 3.22Å; L11-I16 HydrophobicContact CD2-CG1 3.76Å; L11-K34 WeakPolarHBondContact O-CE 3.5Å; L11-K34 PolarHBondContact O-NZ 3.01Å
12K92.7Very high86.6Confident165 Ų16570.8 Ų70.872%0.71736%0.355SS*.THydrogen-bonded Turntrans-59.4-35.9170.7-173.5169.5-176.1168.80113P8 I10P8-K12 PolarHBondContact O-N 3.4Å; I10-K12 PolarHBondContact O-N 2.96Å; I10-K12 VanDerWaalsContact O-N 3.16Å
13N93.6Very high87.5Confident79 Ų7970.4 Ų70.442%0.42236%0.362SS..THydrogen-bonded Turntrans-108.9-20.7-172.2-65.9-75.4000114V9 I10 L11 K34V9-N13 PolarHBondContact O-ND2 3.43Å; V9-N13 VanDerWaalsContact O-ND2 3.16Å; I10-N13 PolarHBondContact O-N 3.02Å; L11-N13 VanDerWaalsContact C-N 3.28Å; L11-N13 PolarHBondContact O-N 3.22Å; N13-K34 PolarHBondContact O-N 2.98Å
14Y96.3Very high88.3Confident17 Ų1768.3 Ų68.37%0.06737%0.368CS..EExtended strand (participates in β ladder)trans-132.5141.1-171.3-55.3-76.7000111.6I10 V32 N33 L40 I81 V92I10-Y14 HydrophobicContact CG2-CD2 3.87Å; I10-Y14 WeakPolarHBondContact O-CD2 3.18Å; I10-Y14 PolarHBondContact O-N 2.88Å; Y14-V32 CarbonylContact C-O 3.6Å; Y14-V32 WeakPolarHBondContact CA-O 3.46Å; Y14-N33 HydrophobicContact CD1-CB 4.24Å; Y14-N33 HydrophobicContact CE1-CB 4.22Å; Y14-L40 HydrophobicContact CD1-CD1 4.11Å; Y14-L40 HydrophobicContact CD1-CD2 3.72Å; Y14-L40 HydrophobicContact CD1-CG 4.49Å; Y14-L40 HydrophobicContact CE1-CD1 4.42Å; Y14-L40 HydrophobicContact CE1-CD2 3.53Å; Y14-I81 HydrophobicContact CE2-CD1 3.84Å; Y14-V92 HydrophobicContact CE1-CG1 4.22Å; Y14-V92 HydrophobicContact CE2-CG2 4.48Å
15T96.3Very high89.2Confident69 Ų6965.7 Ų65.742%0.42335%0.348SS..EExtended strand (participates in β ladder)trans-100117.4167.8-59.90000108.3A31 V32 K34T15-A31 CarbonylContact O-C 3.52Å; T15-A31 WeakPolarHBondContact O-CA 3.39Å; T15-A31 VanDerWaalsContact O-CB 3.25Å; T15-A31 WeakPolarHBondContact O-CB 3.35Å; T15-V32 PolarHBondContact N-O 2.95Å; T15-V32 PolarHBondContact O-N 2.83Å; T15-K34 WeakPolarHBondContact OG1-CE 3.35Å; T15-K34 WeakPolarHBondContact OG1-CG 3.38Å
16I96Very high89.6Confident20 Ų2063.4 Ų63.410%0.10334%0.34CS..EExtended strand (participates in β ladder)trans-78125.2177.4-50.3-56.4000109.1V6 L11 W29 A31 L42V6-I16 HydrophobicContact CB-CG1 4.49Å; V6-I16 HydrophobicContact CG1-CD1 4.2Å; V6-I16 HydrophobicContact CG1-CG1 4.2Å; V6-I16 HydrophobicContact CG2-CD1 4.41Å; V6-I16 HydrophobicContact CG2-CG1 4.2Å; L11-I16 HydrophobicContact CD2-CG1 3.76Å; I16-W29 HydrophobicContact CG2-CB 3.84Å; I16-W29 HydrophobicContact CG2-CD2 4.49Å; I16-W29 HydrophobicContact CG2-CG 3.79Å; I16-A31 HydrophobicContact CD1-CB 3.84Å; I16-L42 HydrophobicContact CD1-CD2 3.58Å
17E94.8Very high89.9Confident82 Ų8263 Ų6338%0.38334%0.337SS..EExtended strand (participates in β ladder)trans-93.1-68.1176.5-65.1-176.6-161.500111.6K30 V32E17-K30 WeakPolarHBondContact CB-O 3.48Å; E17-K30 PolarHBondContact N-O 3.37Å; E17-K30 IonicContact OE1-NZ 2.9Å; E17-K30 PolarHBondContact OE1-NZ 3.02Å; E17-K30 VanDerWaalsContact OE2-CD 3.26Å; E17-K30 WeakPolarHBondContact OE2-CD 3.47Å; E17-K30 WeakPolarHBondContact OE2-CE 3.43Å; E17-K30 IonicContact OE2-NZ 3.92Å; E17-K30 PolarHBondContact OE2-NZ 3.42Å; E17-V32 HydrophobicContact CG-CG2 4.29Å; E17-V32 VanDerWaalsContact OE1-CG2 3.25Å; E17-V32 WeakPolarHBondContact OE1-CG2 3.48Å
18R94.2Very high90.2Very high66 Ų6663.7 Ų63.725%0.24934%0.343CS..EExtended strand (participates in β ladder)trans-146148.3-172.567.2176.8-173113.511.7111.4I20 W29 K30 Y95 N519R18-I20 HydrophobicContact CG-CG2 4.13Å; R18-W29 CarbonylContact O-C 3.59Å; R18-W29 VanDerWaalsContact O-CA 3.28Å; R18-W29 WeakPolarHBondContact O-CA 3.41Å; R18-W29 WeakPolarHBondContact O-CB 3.43Å; R18-K30 HydrophobicContact CG-CB 4.04Å; R18-K30 PolarHBondContact N-O 2.95Å; R18-K30 PolarHBondContact O-N 2.91Å; R18-Y95 PolarHBondContact NH2-OH 3.01Å; R18-N519 PolarHBondContact NH1-OD1 3.37Å
19R93.8Very high90.6Very high133 Ų13359.4 Ų59.450%0.50232%0.316SS..EExtended strand (participates in β ladder)trans-67.8135.5167-169.6173.271.9-156.63.1109G21 I27R19-G21 WeakPolarHBondContact CG-O 3.49Å; R19-I27 VanDerWaalsContact CD-CD1 3.45Å; R19-I27 HydrophobicContact CG-CD1 4.11Å; R19-I27 HydrophobicContact CG-CG1 4.03Å
20I91.1Very high91Very high68 Ų6857.7 Ų57.735%0.34930%0.304SS..EExtended strand (participates in β ladder)trans-116.9-19.8176.563.5177.4000112.9R18 V28 K30 A41 Y95R18-I20 HydrophobicContact CG-CG2 4.13Å; I20-V28 HydrophobicContact CD1-CG1 3.85Å; I20-V28 HydrophobicContact CG1-CB 3.98Å; I20-V28 HydrophobicContact CG1-CG1 3.74Å; I20-V28 WeakPolarHBondContact CG1-O 3.31Å; I20-V28 PolarHBondContact N-O 3.37Å; I20-K30 HydrophobicContact CG2-CB 3.86Å; I20-A41 HydrophobicContact CD1-CB 4.35Å; I20-Y95 HydrophobicContact CD1-CD2 4.46Å; I20-Y95 HydrophobicContact CD1-CE2 4.17Å
21G86.5Confident91.2Very high27 Ų2757.7 Ų57.728%0.27830%0.304SS..EExtended strand (participates in β ladder)trans-156.2158.1171.400000112.7R19 V28R19-G21 WeakPolarHBondContact CG-O 3.49Å; G21-V28 PolarHBondContact N-O 3.15Å; G21-V28 VanDerWaalsContact N-O 3.1Å; G21-V28 PolarHBondContact O-N 3.1Å
22K86.6Confident91.4Very high124 Ų12456.8 Ų56.854%0.53930%0.3SS..EExtended strand (participates in β ladder)trans-148.7130.9166.4-174.1168.7-174.4160.90108E5 I27E5-K22 IonicContact OE1-NZ 2.93Å; E5-K22 PolarHBondContact OE1-NZ 2.59Å; K22-I27 HydrophobicContact CD-CD1 4.36Å; K22-I27 HydrophobicContact CG-CB 4.45Å
23G76.7Confident91.6Very high48 Ų4850.3 Ų50.350%0.49527%0.273SS..EExtended strand (participates in β ladder)trans-130.4-173.3174.700000110.5Y25 G26G23-Y25 VanDerWaalsContact C-N 3.33Å; G23-Y25 PolarHBondContact O-N 3.35Å; G23-G26 PolarHBondContact N-O 2.83Å; G23-G26 VanDerWaalsContact O-O 3.13Å
24A74.3Confident91.7Very high93 Ų9351.4 Ų51.477%0.76927%0.274SS*.THydrogen-bonded Turntrans-60.6-41.4-18000000112.8
25Y81Confident91.6Very high108 Ų10859 Ų5942%0.42431%0.308SS..THydrogen-bonded Turntrans-93.4-0.4-173.1-53.7-82000114.6G23 I45 F46G23-Y25 VanDerWaalsContact C-N 3.33Å; G23-Y25 PolarHBondContact O-N 3.35Å; Y25-I45 WeakPolarHBondContact O-CA 3.1Å; Y25-F46 PolarHBondContact O-N 3.05Å
26G88.7Confident91.6Very high11 Ų1159.3 Ų59.311%0.11331%0.31CS..EExtended strand (participates in β ladder)trans172.6179.4-171.700000116.8G23 K44 F46G23-G26 PolarHBondContact N-O 2.83Å; G23-G26 VanDerWaalsContact O-O 3.13Å; G26-K44 CarbonylContact C-O 3.6Å; G26-K44 WeakPolarHBondContact CA-O 3.36Å; G26-F46 VanDerWaalsContact CA-CD2 3.45Å
27I93.5Very high91.5Very high0 Ų065.6 Ų65.60%034%0.338CS..EExtended strand (participates in β ladder)trans-138.5142.8-177.2-179.4163.6000109.4E5 R19 K22 W29 K43 K44 F46E5-I27 WeakPolarHBondContact OE1-CD1 3.45Å; E5-I27 WeakPolarHBondContact OE2-CD1 3.48Å; R19-I27 VanDerWaalsContact CD-CD1 3.45Å; R19-I27 HydrophobicContact CG-CD1 4.11Å; R19-I27 HydrophobicContact CG-CG1 4.03Å; K22-I27 HydrophobicContact CD-CD1 4.36Å; K22-I27 HydrophobicContact CG-CB 4.45Å; I27-W29 HydrophobicContact CB-CH2 4.36Å; I27-W29 HydrophobicContact CB-CZ2 4.28Å; I27-W29 HydrophobicContact CD1-CH2 4.37Å; I27-W29 HydrophobicContact CD1-CZ2 3.5Å; I27-W29 VanDerWaalsContact CD1-CZ2 3.5Å; I27-W29 HydrophobicContact CG1-CD2 4.32Å; I27-W29 HydrophobicContact CG1-CH2 4.24Å; I27-W29 HydrophobicContact CG1-CZ2 3.71Å; I27-W29 HydrophobicContact CG2-CH2 3.27Å; I27-W29 HydrophobicContact CG2-CZ2 3.57Å; I27-W29 HydrophobicContact CG2-CZ3 3.83Å; I27-K43 CarbonylContact O-C 3.59Å; I27-K43 WeakPolarHBondContact O-CA 3.27Å; I27-K44 HydrophobicContact CG2-CB 3.86Å; I27-K44 PolarHBondContact N-O 2.96Å; I27-K44 PolarHBondContact O-N 2.92Å; I27-F46 HydrophobicContact CB-CE2 4.19Å; I27-F46 HydrophobicContact CB-CZ 3.92Å; I27-F46 HydrophobicContact CG2-CE1 3.94Å; I27-F46 HydrophobicContact CG2-CE2 4.01Å; I27-F46 HydrophobicContact CG2-CZ 3.36Å
28V95.2Very high91.6Very high39 Ų3968.9 Ų68.924%0.23635%0.351CS..EExtended strand (participates in β ladder)trans-125.3130.5-178.9-165.10000109.9I20 G21 A41 L42 K43I20-V28 HydrophobicContact CD1-CG1 3.85Å; I20-V28 HydrophobicContact CG1-CB 3.98Å; I20-V28 HydrophobicContact CG1-CG1 3.74Å; I20-V28 WeakPolarHBondContact CG1-O 3.31Å; I20-V28 PolarHBondContact N-O 3.37Å; G21-V28 PolarHBondContact N-O 3.15Å; G21-V28 VanDerWaalsContact N-O 3.1Å; G21-V28 PolarHBondContact O-N 3.1Å; V28-A41 HydrophobicContact CG1-CB 4.35Å; V28-L42 CarbonylContact C-O 3.58Å; V28-L42 VanDerWaalsContact CA-O 3.29Å; V28-L42 WeakPolarHBondContact CA-O 3.38Å; V28-K43 HydrophobicContact CG1-CB 4.39Å; V28-K43 HydrophobicContact CG2-CB 4.04Å; V28-K43 HydrophobicContact CG2-CG 4.21Å
29W96.7Very high91.8Very high0 Ų071.8 Ų71.80%037%0.365CS..EExtended strand (participates in β ladder)trans-117.6148.3172.9-52.6-91.7000111.7E5 V6 I16 R18 I27 A41 L42 K44 Y90E5-W29 HydrophobicContact CB-CH2 4.2Å; E5-W29 HydrophobicContact CB-CZ2 3.6Å; V6-W29 HydrophobicContact CG2-CD2 4.26Å; V6-W29 HydrophobicContact CG2-CE3 4.17Å; V6-W29 HydrophobicContact CG2-CH2 3.46Å; V6-W29 VanDerWaalsContact CG2-CH2 3.46Å; V6-W29 HydrophobicContact CG2-CZ2 3.58Å; V6-W29 HydrophobicContact CG2-CZ3 3.77Å; I16-W29 HydrophobicContact CG2-CB 3.84Å; I16-W29 HydrophobicContact CG2-CD2 4.49Å; I16-W29 HydrophobicContact CG2-CG 3.79Å; R18-W29 CarbonylContact O-C 3.59Å; R18-W29 VanDerWaalsContact O-CA 3.28Å; R18-W29 WeakPolarHBondContact O-CA 3.41Å; R18-W29 WeakPolarHBondContact O-CB 3.43Å; I27-W29 HydrophobicContact CB-CH2 4.36Å; I27-W29 HydrophobicContact CB-CZ2 4.28Å; I27-W29 HydrophobicContact CD1-CH2 4.37Å; I27-W29 HydrophobicContact CD1-CZ2 3.5Å; I27-W29 VanDerWaalsContact CD1-CZ2 3.5Å; I27-W29 HydrophobicContact CG1-CD2 4.32Å; I27-W29 HydrophobicContact CG1-CH2 4.24Å; I27-W29 HydrophobicContact CG1-CZ2 3.71Å; I27-W29 HydrophobicContact CG2-CH2 3.27Å; I27-W29 HydrophobicContact CG2-CZ2 3.57Å; I27-W29 HydrophobicContact CG2-CZ3 3.83Å; W29-A41 WeakPolarHBondContact O-CA 3.31Å; W29-L42 HydrophobicContact CE3-CB 4.42Å; W29-L42 HydrophobicContact CE3-CD2 3.85Å; W29-L42 HydrophobicContact CE3-CG 4.13Å; W29-L42 HydrophobicContact CZ3-CD2 4.13Å; W29-L42 HydrophobicContact CZ3-CG 4.46Å; W29-L42 PolarHBondContact N-O 3.5Å; W29-L42 PolarHBondContact O-N 3.05Å; W29-K44 HydrophobicContact CH2-CB 3.99Å; W29-K44 HydrophobicContact CH2-CD 4.44Å; W29-K44 HydrophobicContact CZ3-CB 3.72Å; W29-Y90 HydrophobicContact CZ3-CE1 4.28Å
30K97Very high91.9Very high19 Ų1965.8 Ų65.88%0.08334%0.343CS..EExtended strand (participates in β ladder)trans-74.9130.4155.6-178.3177.7-173.2-1100107.9E17 R18 I20 Y95E17-K30 WeakPolarHBondContact CB-O 3.48Å; E17-K30 PolarHBondContact N-O 3.37Å; E17-K30 IonicContact OE1-NZ 2.9Å; E17-K30 PolarHBondContact OE1-NZ 3.02Å; E17-K30 VanDerWaalsContact OE2-CD 3.26Å; E17-K30 WeakPolarHBondContact OE2-CD 3.47Å; E17-K30 WeakPolarHBondContact OE2-CE 3.43Å; E17-K30 IonicContact OE2-NZ 3.92Å; E17-K30 PolarHBondContact OE2-NZ 3.42Å; R18-K30 HydrophobicContact CG-CB 4.04Å; R18-K30 PolarHBondContact N-O 2.95Å; R18-K30 PolarHBondContact O-N 2.91Å; I20-K30 HydrophobicContact CG2-CB 3.86Å; K30-Y95 HydrophobicContact CB-CD2 4.16Å; K30-Y95 HydrophobicContact CB-CE2 3.79Å; K30-Y95 HydrophobicContact CD-CD2 4.13Å; K30-Y95 HydrophobicContact CD-CE1 4.17Å; K30-Y95 HydrophobicContact CD-CE2 3.52Å; K30-Y95 HydrophobicContact CG-CD2 3.78Å; K30-Y95 HydrophobicContact CG-CE2 3.57Å; K30-Y95 HydrophobicContact CG-CG 4.5Å
31A97.3Very high92.3Very high0 Ų063.1 Ų63.10%033%0.331CS..EExtended strand (participates in β ladder)trans-141.9169.3177.300000110.8T15 I16 K39 L40T15-A31 CarbonylContact O-C 3.52Å; T15-A31 WeakPolarHBondContact O-CA 3.39Å; T15-A31 VanDerWaalsContact O-CB 3.25Å; T15-A31 WeakPolarHBondContact O-CB 3.35Å; I16-A31 HydrophobicContact CD1-CB 3.84Å; A31-K39 WeakPolarHBondContact O-CA 3.31Å; A31-L40 HydrophobicContact CB-CD1 3.71Å; A31-L40 PolarHBondContact N-O 3.32Å; A31-L40 PolarHBondContact O-N 3.38Å
32V97.6Very high92.7Very high25 Ų2561.8 Ų61.815%0.15232%0.318CS..EExtended strand (participates in β ladder)trans-120.9132.1178.3176.70000109.3Y14 T15 E17 K34 K38Y14-V32 CarbonylContact C-O 3.6Å; Y14-V32 WeakPolarHBondContact CA-O 3.46Å; T15-V32 PolarHBondContact N-O 2.95Å; T15-V32 PolarHBondContact O-N 2.83Å; E17-V32 HydrophobicContact CG-CG2 4.29Å; E17-V32 VanDerWaalsContact OE1-CG2 3.25Å; E17-V32 WeakPolarHBondContact OE1-CG2 3.48Å; V32-K34 PolarHBondContact O-N 3.38Å; V32-K38 WeakPolarHBondContact CA-O 3.21Å
33N96.5Very high93.2Very high29 Ų2958 Ų5816%0.15530%0.301CS..EExtended strand (participates in β ladder)trans-72.2119171.9177.3-98000110.5Y14 K35 T36 H37 K38 L40Y14-N33 HydrophobicContact CD1-CB 4.24Å; Y14-N33 HydrophobicContact CE1-CB 4.22Å; N33-K35 PolarHBondContact O-N 3Å; N33-K35 VanDerWaalsContact O-N 3.11Å; N33-K35 PolarHBondContact OD1-N 3.32Å; N33-T36 WeakPolarHBondContact CB-OG1 3.47Å; N33-T36 PolarHBondContact O-N 3.19Å; N33-T36 PolarHBondContact OD1-N 3.19Å; N33-T36 PolarHBondContact OD1-OG1 2.94Å; N33-H37 WeakPolarHBondContact O-CA 3.28Å; N33-H37 PolarHBondContact O-N 3.21Å; N33-K38 PolarHBondContact N-O 2.71Å; N33-L40 HydrophobicContact CB-CD2 3.75Å
34K96.2Very high94.1Very high102 Ų10256.3 Ų56.344%0.44328%0.281SS..THydrogen-bonded Turntrans-62.1-22.3-172.9-72.2-179.4169.8-179.50114.8L11 N13 T15 V32L11-K34 WeakPolarHBondContact O-CE 3.5Å; L11-K34 PolarHBondContact O-NZ 3.01Å; N13-K34 PolarHBondContact O-N 2.98Å; T15-K34 WeakPolarHBondContact OG1-CE 3.35Å; T15-K34 WeakPolarHBondContact OG1-CG 3.38Å; V32-K34 PolarHBondContact O-N 3.38Å
35K94.1Very high95Very high177 Ų17752.3 Ų52.377%0.7725%0.246SC*.THydrogen-bonded Turntrans-89.9-28.5-179.5-179.6175.1178.4-177.40113.8N33N33-K35 PolarHBondContact O-N 3Å; N33-K35 VanDerWaalsContact O-N 3.11Å; N33-K35 PolarHBondContact OD1-N 3.32Å
36T94.9Very high95.5Very high75 Ų7550.5 Ų50.546%0.4624%0.241SC..THydrogen-bonded Turntrans-120-4.2-170.959.70000113.6N33 K38N33-T36 WeakPolarHBondContact CB-OG1 3.47Å; N33-T36 PolarHBondContact O-N 3.19Å; N33-T36 PolarHBondContact OD1-N 3.19Å; N33-T36 PolarHBondContact OD1-OG1 2.94Å; T36-K38 WeakPolarHBondContact O-CG 3.44Å; T36-K38 PolarHBondContact O-N 3.24Å
37H95.9Very high95.6Very high152 Ų15252.7 Ų52.770%0.70425%0.25SS*.  trans54.99.8-175.5-55.4-83.5000115.1N33N33-H37 WeakPolarHBondContact O-CA 3.28Å; N33-H37 PolarHBondContact O-N 3.21Å
38K96.4Very high95.5Very high151 Ų15152.8 Ų52.866%0.65725%0.25SS*.  trans-75.3132178.1-61.7-161.3176.7-165.70111V32 N33 T36V32-K38 WeakPolarHBondContact CA-O 3.21Å; N33-K38 PolarHBondContact N-O 2.71Å; T36-K38 WeakPolarHBondContact O-CG 3.44Å; T36-K38 PolarHBondContact O-N 3.24Å
39K97.2Very high95.4Very high126 Ų12651.2 Ų51.255%0.54824%0.24SC..EExtended strand (participates in β ladder)trans-64.6140.7168.5-61.2167.9-173.4169.50109.2A31 Y95A31-K39 WeakPolarHBondContact O-CA 3.31Å; K39-Y95 HydrophobicContact CB-CD1 4.44Å; K39-Y95 HydrophobicContact CB-CG 4.44Å
40L97.5Very high95Very high7 Ų760.1 Ų60.14%0.03727%0.274CS..EExtended strand (participates in β ladder)trans-150.7163.6-178.85379.4000111Y14 A31 N33 V92 F93Y14-L40 HydrophobicContact CD1-CD1 4.11Å; Y14-L40 HydrophobicContact CD1-CD2 3.72Å; Y14-L40 HydrophobicContact CD1-CG 4.49Å; Y14-L40 HydrophobicContact CE1-CD1 4.42Å; Y14-L40 HydrophobicContact CE1-CD2 3.53Å; A31-L40 HydrophobicContact CB-CD1 3.71Å; A31-L40 PolarHBondContact N-O 3.32Å; A31-L40 PolarHBondContact O-N 3.38Å; N33-L40 HydrophobicContact CB-CD2 3.75Å; L40-V92 HydrophobicContact CD1-CG1 4.15Å; L40-V92 HydrophobicContact CD2-CG1 3.92Å; L40-V92 HydrophobicContact CG-CG1 4.45Å; L40-F93 WeakPolarHBondContact CA-O 3.48Å; L40-F93 VanDerWaalsContact CB-O 3.23Å; L40-F93 WeakPolarHBondContact CB-O 3.19Å
41A97.5Very high94.7Very high12 Ų1261.8 Ų61.810%0.09928%0.284CS..EExtended strand (participates in β ladder)trans-100.9132.4169.600000109.7I20 V28 W29 F93I20-A41 HydrophobicContact CD1-CB 4.35Å; V28-A41 HydrophobicContact CG1-CB 4.35Å; W29-A41 WeakPolarHBondContact O-CA 3.31Å; A41-F93 HydrophobicContact CB-CB 4.19Å; A41-F93 PolarHBondContact N-O 3.31Å; A41-F93 PolarHBondContact O-N 3Å
42L97Very high94.4Very high0 Ų065.9 Ų65.90%030%0.303CS..EExtended strand (participates in β ladder)trans-114.1110.5175.1178.773.9000108.2I10 I16 V28 W29 Y90 V92I10-L42 HydrophobicContact CG2-CD1 4.37Å; I10-L42 HydrophobicContact CG2-CD2 3.71Å; I16-L42 HydrophobicContact CD1-CD2 3.58Å; V28-L42 CarbonylContact C-O 3.58Å; V28-L42 VanDerWaalsContact CA-O 3.29Å; V28-L42 WeakPolarHBondContact CA-O 3.38Å; W29-L42 HydrophobicContact CE3-CB 4.42Å; W29-L42 HydrophobicContact CE3-CD2 3.85Å; W29-L42 HydrophobicContact CE3-CG 4.13Å; W29-L42 HydrophobicContact CZ3-CD2 4.13Å; W29-L42 HydrophobicContact CZ3-CG 4.46Å; W29-L42 PolarHBondContact N-O 3.5Å; W29-L42 PolarHBondContact O-N 3.05Å; L42-Y90 HydrophobicContact CD1-CD1 3.98Å; L42-Y90 HydrophobicContact CD2-CD1 4.2Å; L42-Y90 HydrophobicContact CD2-CE1 4.46Å; L42-Y90 HydrophobicContact CG-CD1 4.18Å; L42-V92 HydrophobicContact CD1-CG2 3.93Å
43K95.6Very high94Very high43 Ų4367.1 Ų67.119%0.18731%0.311CS..EExtended strand (participates in β ladder)trans-99.1116.2174.2167.7176.1165.3-1760108.5I27 V28 I45 E61 Y90 L91 F93I27-K43 CarbonylContact O-C 3.59Å; I27-K43 WeakPolarHBondContact O-CA 3.27Å; V28-K43 HydrophobicContact CG1-CB 4.39Å; V28-K43 HydrophobicContact CG2-CB 4.04Å; V28-K43 HydrophobicContact CG2-CG 4.21Å; K43-I45 HydrophobicContact CD-CG1 4.5Å; K43-I45 HydrophobicContact CG-CG1 4.24Å; K43-E61 IonicContact NZ-OE1 3.47Å; K43-E61 PolarHBondContact NZ-OE1 3.34Å; K43-E61 IonicContact NZ-OE2 2.89Å; K43-E61 PolarHBondContact NZ-OE2 3.24Å; K43-Y90 CarbonylContact O-C 3.57Å; K43-Y90 WeakPolarHBondContact O-CA 3.4Å; K43-L91 HydrophobicContact CB-CB 4.32Å; K43-L91 HydrophobicContact CD-CD1 4.35Å; K43-L91 PolarHBondContact N-O 2.99Å; K43-L91 PolarHBondContact O-N 2.73Å; K43-F93 HydrophobicContact CB-CD2 4.47Å; K43-F93 HydrophobicContact CB-CE2 4.15Å; K43-F93 HydrophobicContact CD-CE2 4.21Å
44K95.6Very high93.6Very high13 Ų1366.8 Ų66.86%0.05731%0.309CS..EExtended strand (participates in β ladder)trans-91.4120.8164.3-177.1175.2-169.1166.60108.2E7 G26 I27 W29 F46 D88 Y90E7-K44 IonicContact OE1-NZ 2.69Å; E7-K44 PolarHBondContact OE1-NZ 3.28Å; G26-K44 CarbonylContact C-O 3.6Å; G26-K44 WeakPolarHBondContact CA-O 3.36Å; I27-K44 HydrophobicContact CG2-CB 3.86Å; I27-K44 PolarHBondContact N-O 2.96Å; I27-K44 PolarHBondContact O-N 2.92Å; W29-K44 HydrophobicContact CH2-CB 3.99Å; W29-K44 HydrophobicContact CH2-CD 4.44Å; W29-K44 HydrophobicContact CZ3-CB 3.72Å; K44-F46 HydrophobicContact CD-CD1 4.22Å; K44-F46 HydrophobicContact CD-CE1 3.98Å; K44-F46 HydrophobicContact CG-CD1 4.33Å; K44-F46 HydrophobicContact CG-CE1 4.34Å; K44-D88 HydrophobicContact CD-CB 4.5Å; K44-D88 WeakPolarHBondContact CE-OD2 2.93Å; K44-D88 HydrophobicContact CG-CB 4.38Å; K44-D88 IonicContact NZ-OD2 2.68Å; K44-D88 PolarHBondContact NZ-OD2 3.09Å; K44-Y90 HydrophobicContact CB-CD1 3.81Å; K44-Y90 HydrophobicContact CB-CE1 3.73Å; K44-Y90 HydrophobicContact CD-CD1 4.42Å; K44-Y90 HydrophobicContact CD-CE1 3.63Å; K44-Y90 HydrophobicContact CD-CE2 4.22Å; K44-Y90 WeakPolarHBondContact CD-OH 3.31Å; K44-Y90 HydrophobicContact CG-CD1 4.1Å; K44-Y90 HydrophobicContact CG-CE1 3.8Å; K44-Y90 HydrophobicContact CG-CE2 4.49Å; K44-Y90 PolarHBondContact NZ-OH 2.98Å
45I93.8Very high93.4Very high10 Ų1062 Ų625%0.05129%0.288CS..EExtended strand (participates in β ladder)trans-87.8125.5166.9-57.7176.3000106.7Y25 K43 A48 T58 D88 I89 L91Y25-I45 WeakPolarHBondContact O-CA 3.1Å; K43-I45 HydrophobicContact CD-CG1 4.5Å; K43-I45 HydrophobicContact CG-CG1 4.24Å; I45-A48 HydrophobicContact CB-CB 4.35Å; I45-A48 HydrophobicContact CG2-CB 3.76Å; I45-T58 HydrophobicContact CD1-CG2 3.75Å; I45-D88 WeakPolarHBondContact O-CA 3.3Å; I45-D88 WeakPolarHBondContact O-CB 3.47Å; I45-I89 PolarHBondContact N-O 2.88Å; I45-I89 PolarHBondContact O-N 3.22Å; I45-I89 VanDerWaalsContact O-N 3.16Å; I45-L91 HydrophobicContact CD1-CD1 3.81Å; I45-L91 HydrophobicContact CD1-CG 4.27Å
46F91.6Very high93.3Very high69 Ų6954.4 Ų54.430%0.30326%0.255SS..SBendtrans-84.7134.9177.9-61.3-56.3000110.4Y25 G26 I27 K44 A48 D88Y25-F46 PolarHBondContact O-N 3.05Å; G26-F46 VanDerWaalsContact CA-CD2 3.45Å; I27-F46 HydrophobicContact CB-CE2 4.19Å; I27-F46 HydrophobicContact CB-CZ 3.92Å; I27-F46 HydrophobicContact CG2-CE1 3.94Å; I27-F46 HydrophobicContact CG2-CE2 4.01Å; I27-F46 HydrophobicContact CG2-CZ 3.36Å; K44-F46 HydrophobicContact CD-CD1 4.22Å; K44-F46 HydrophobicContact CD-CE1 3.98Å; K44-F46 HydrophobicContact CG-CD1 4.33Å; K44-F46 HydrophobicContact CG-CE1 4.34Å; F46-A48 PolarHBondContact O-N 3.32Å; F46-A48 VanDerWaalsContact O-N 3.17Å; F46-D88 VanDerWaalsContact CA-OD1 3.32Å; F46-D88 WeakPolarHBondContact CA-OD1 3.26Å
47D91.3Very high93.1Very high58 Ų5853.7 Ų53.731%0.3124%0.244SC..SBendtrans45.449.8173.5-153.820.7000112.1F49 R50 K87 D88D47-F49 PolarHBondContact O-N 3.34Å; D47-R50 HydrophobicContact CB-CB 4.18Å; D47-R50 VanDerWaalsContact O-CB 3.26Å; D47-R50 WeakPolarHBondContact O-CB 3.46Å; D47-R50 PolarHBondContact O-N 3.46Å; D47-R50 WeakPolarHBondContact OD2-CB 3.39Å; D47-R50 WeakPolarHBondContact OD2-CD 3.45Å; D47-R50 VanDerWaalsContact OD2-CG 3.3Å; D47-R50 WeakPolarHBondContact OD2-CG 3.38Å; D47-K87 CarbonylContact C-O 3.58Å; D47-D88 PolarHBondContact N-OD1 2.92Å
48A90.9Very high92.9Very high1 Ų146.9 Ų46.91%0.00821%0.213CC..THydrogen-bonded Turntrans-59.7-11.1-171.700000113.8I45 F46 A55 T58 K87 I89I45-A48 HydrophobicContact CB-CB 4.35Å; I45-A48 HydrophobicContact CG2-CB 3.76Å; F46-A48 PolarHBondContact O-N 3.32Å; F46-A48 VanDerWaalsContact O-N 3.17Å; A48-A55 VanDerWaalsContact O-CA 3.27Å; A48-A55 WeakPolarHBondContact O-CA 3.47Å; A48-A55 PolarHBondContact O-N 3.13Å; A48-T58 HydrophobicContact CB-CG2 4.17Å; A48-K87 PolarHBondContact N-O 2.95Å; A48-I89 HydrophobicContact CB-CB 4.29Å; A48-I89 HydrophobicContact CB-CG1 3.79Å
49F92.1Very high92.8Very high6 Ų640.1 Ų40.13%0.02618%0.184CC..THydrogen-bonded Turntrans-123.126.5-179.9-58-65.5000112.2D47 A55 I89 V347 R351 L354 Y355D47-F49 PolarHBondContact O-N 3.34Å; F49-A55 HydrophobicContact CD1-CB 4.04Å; F49-I89 HydrophobicContact CE2-CD1 3.93Å; F49-I89 HydrophobicContact CE2-CG1 4Å; F49-I89 HydrophobicContact CZ-CD1 4.24Å; F49-I89 HydrophobicContact CZ-CG1 4.3Å; F49-V347 HydrophobicContact CB-CG1 3.78Å; F49-V347 WeakPolarHBondContact O-CG1 3.39Å; F49-R351 HydrophobicContact CD1-CB 3.76Å; F49-R351 HydrophobicContact CD1-CG 4.23Å; F49-R351 HydrophobicContact CD2-CB 4.41Å; F49-R351 HydrophobicContact CD2-CG 3.98Å; F49-R351 HydrophobicContact CE1-CB 3.68Å; F49-R351 HydrophobicContact CE1-CG 4.07Å; F49-R351 HydrophobicContact CE2-CB 4.33Å; F49-R351 HydrophobicContact CE2-CG 3.79Å; F49-R351 HydrophobicContact CG-CB 4.14Å; F49-R351 HydrophobicContact CG-CG 4.19Å; F49-R351 HydrophobicContact CZ-CB 3.95Å; F49-R351 HydrophobicContact CZ-CG 3.83Å; F49-L354 HydrophobicContact CZ-CD2 3.88Å; F49-Y355 HydrophobicContact CE2-CE1 4.07Å; F49-Y355 HydrophobicContact CZ-CE1 4.27Å
50R89.8Confident92.6Very high188 Ų18834.4 Ų34.471%0.70916%0.159SC*.SBendtrans-63.5-39.3179.4-173.6174.1171.8-155.7-4.3113.5D47D47-R50 HydrophobicContact CB-CB 4.18Å; D47-R50 VanDerWaalsContact O-CB 3.26Å; D47-R50 WeakPolarHBondContact O-CB 3.46Å; D47-R50 PolarHBondContact O-N 3.46Å; D47-R50 WeakPolarHBondContact OD2-CB 3.39Å; D47-R50 WeakPolarHBondContact OD2-CD 3.45Å; D47-R50 VanDerWaalsContact OD2-CG 3.3Å; D47-R50 WeakPolarHBondContact OD2-CG 3.38Å
51N90.6Very high92.4Very high53 Ų5334.7 Ų34.728%0.28316%0.16SC..SBendtrans-150.1165.8-17763.971000109.5T53 D54 A55 V347N51-T53 VanDerWaalsContact C-N 3.27Å; N51-T53 PolarHBondContact O-N 3.47Å; N51-T53 WeakPolarHBondContact OD1-CA 3.4Å; N51-T53 WeakPolarHBondContact OD1-CB 3.46Å; N51-T53 PolarHBondContact OD1-N 3.21Å; N51-D54 PolarHBondContact ND2-OD2 3.17Å; N51-D54 PolarHBondContact OD1-N 3.2Å; N51-A55 VanDerWaalsContact O-CB 3.25Å; N51-A55 WeakPolarHBondContact O-CB 3.43Å; N51-A55 PolarHBondContact O-N 3.28Å; N51-V347 VanDerWaalsContact C-CG2 3.48Å
52Q90.5Very high92.3Very high86 Ų8634.1 Ų34.140%0.40216%0.156SC..Hα-helixtrans-63.5-31-175.8-62.3177.61.900112.9Q56 Q344 V347Q52-Q56 VanDerWaalsContact O-CB 3.27Å; Q52-Q56 WeakPolarHBondContact O-CB 3.37Å; Q52-Q56 PolarHBondContact O-N 2.92Å; Q52-Q344 VanDerWaalsContact C-NE2 3.28Å; Q52-Q344 HydrophobicContact CB-CG 3.76Å; Q52-V347 HydrophobicContact CB-CG2 4.5Å; Q52-V347 HydrophobicContact CG-CG2 3.96Å
53T88.6Confident92.1Very high51 Ų5134.5 Ų34.531%0.31316%0.158SC..Hα-helixtrans-72.9-46.6-177-60.40000111.8N51 Q56 R57 Q344N51-T53 VanDerWaalsContact C-N 3.27Å; N51-T53 PolarHBondContact O-N 3.47Å; N51-T53 WeakPolarHBondContact OD1-CA 3.4Å; N51-T53 WeakPolarHBondContact OD1-CB 3.46Å; N51-T53 PolarHBondContact OD1-N 3.21Å; T53-Q56 PolarHBondContact O-N 3.21Å; T53-R57 WeakPolarHBondContact O-CB 3.31Å; T53-R57 VanDerWaalsContact O-CG 3.24Å; T53-R57 WeakPolarHBondContact O-CG 3.46Å; T53-R57 PolarHBondContact O-N 3.29Å; T53-Q344 VanDerWaalsContact N-NE2 3.19Å; T53-Q344 PolarHBondContact OG1-NE2 3.37Å
54D89.3Confident92.1Very high23 Ų2332.6 Ų32.612%0.12315%0.15CC..Hα-helixtrans-74.5-31.1178.2-64.8-34.2000111.9N51 R57 T58N51-D54 PolarHBondContact ND2-OD2 3.17Å; N51-D54 PolarHBondContact OD1-N 3.2Å; D54-R57 IonicContact OD1-CZ 3.54Å; D54-R57 IonicContact OD1-NH1 2.75Å; D54-R57 PolarHBondContact OD1-NH1 2.82Å; D54-T58 WeakPolarHBondContact O-CB 3.45Å; D54-T58 PolarHBondContact O-N 3.41Å; D54-T58 PolarHBondContact O-OG1 2.73Å
55A92.4Very high92.1Very high0 Ų032 Ų320%015%0.147CC..Hα-helixtrans-61.9-49.2168.700000111.7A48 F49 N51 T58 F59 Y350A48-A55 VanDerWaalsContact O-CA 3.27Å; A48-A55 WeakPolarHBondContact O-CA 3.47Å; A48-A55 PolarHBondContact O-N 3.13Å; F49-A55 HydrophobicContact CD1-CB 4.04Å; N51-A55 VanDerWaalsContact O-CB 3.25Å; N51-A55 WeakPolarHBondContact O-CB 3.43Å; N51-A55 PolarHBondContact O-N 3.28Å; A55-T58 PolarHBondContact O-N 3.26Å; A55-F59 WeakPolarHBondContact O-CB 3.34Å; A55-F59 PolarHBondContact O-N 2.58Å; A55-Y350 HydrophobicContact CB-CD2 3.78Å; A55-Y350 HydrophobicContact CB-CG 4.25Å
56Q90.9Very high92Very high18 Ų1833.7 Ų33.78%0.08416%0.155CC..Hα-helixtrans-62.5-45.7176.4-170.4-16878.200111.5Q52 T53 T58 F59 R60 K343 Y350Q52-Q56 VanDerWaalsContact O-CB 3.27Å; Q52-Q56 WeakPolarHBondContact O-CB 3.37Å; Q52-Q56 PolarHBondContact O-N 2.92Å; T53-Q56 PolarHBondContact O-N 3.21Å; Q56-T58 VanDerWaalsContact C-N 3.34Å; Q56-T58 PolarHBondContact O-N 3.43Å; Q56-F59 PolarHBondContact O-N 2.68Å; Q56-R60 WeakPolarHBondContact O-CB 3.38Å; Q56-R60 PolarHBondContact O-N 3.23Å; Q56-R60 VanDerWaalsContact OE1-CZ 3.26Å; Q56-K343 PolarHBondContact NE2-O 2.9Å; Q56-Y350 HydrophobicContact CB-CD2 4.44Å; Q56-Y350 HydrophobicContact CB-CE1 4.08Å; Q56-Y350 HydrophobicContact CB-CE2 3.74Å; Q56-Y350 HydrophobicContact CG-CE1 3.93Å; Q56-Y350 HydrophobicContact CG-CE2 4.32Å; Q56-Y350 VanDerWaalsContact CG-OH 3.26Å; Q56-Y350 WeakPolarHBondContact CG-OH 3.35Å; Q56-Y350 PolarHBondContact NE2-OH 3.45Å
57R90.6Very high92Very high60 Ų6033.5 Ų33.523%0.22616%0.155CC..Hα-helixtrans-57.5-45.3176.4-75.3167.1178.2163.7-1.8111.6T53 D54 R60 E61T53-R57 WeakPolarHBondContact O-CB 3.31Å; T53-R57 VanDerWaalsContact O-CG 3.24Å; T53-R57 WeakPolarHBondContact O-CG 3.46Å; T53-R57 PolarHBondContact O-N 3.29Å; D54-R57 IonicContact OD1-CZ 3.54Å; D54-R57 IonicContact OD1-NH1 2.75Å; D54-R57 PolarHBondContact OD1-NH1 2.82Å; R57-R60 PolarHBondContact O-N 3.38Å; R57-E61 WeakPolarHBondContact O-CB 3.42Å; R57-E61 PolarHBondContact O-N 3.16Å
58T92.9Very high92.2Very high9 Ų930.8 Ų30.86%0.05514%0.14CC..Hα-helixtrans-66.8-47.3179.4-58.10000111.9I45 A48 D54 A55 Q56 R60 E61 I62I45-T58 HydrophobicContact CD1-CG2 3.75Å; A48-T58 HydrophobicContact CB-CG2 4.17Å; D54-T58 WeakPolarHBondContact O-CB 3.45Å; D54-T58 PolarHBondContact O-N 3.41Å; D54-T58 PolarHBondContact O-OG1 2.73Å; A55-T58 PolarHBondContact O-N 3.26Å; Q56-T58 VanDerWaalsContact C-N 3.34Å; Q56-T58 PolarHBondContact O-N 3.43Å; T58-R60 VanDerWaalsContact C-N 3.28Å; T58-R60 PolarHBondContact O-N 2.94Å; T58-E61 PolarHBondContact O-N 3.48Å; T58-I62 HydrophobicContact CG2-CD1 3.8Å; T58-I62 WeakPolarHBondContact O-CD1 3.22Å; T58-I62 VanDerWaalsContact O-CG1 3.3Å; T58-I62 WeakPolarHBondContact O-CG1 3.39Å; T58-I62 PolarHBondContact O-N 2.88Å; T58-I62 VanDerWaalsContact O-N 3.15Å
59F93.6Very high92.2Very high9 Ų932.9 Ų32.94%0.03916%0.155CC..Hα-helixtrans-58.2-42.9176.1-177.6-87.9000111.5A55 Q56 S63 I338 L339 Y350 K353 L354 I357A55-F59 WeakPolarHBondContact O-CB 3.34Å; A55-F59 PolarHBondContact O-N 2.58Å; Q56-F59 PolarHBondContact O-N 2.68Å; F59-S63 VanDerWaalsContact CE1-OG 3.29Å; F59-S63 WeakPolarHBondContact CE1-OG 3.18Å; F59-S63 VanDerWaalsContact O-CB 3.3Å; F59-S63 WeakPolarHBondContact O-CB 3.4Å; F59-S63 PolarHBondContact O-N 3.35Å; F59-S63 PolarHBondContact O-OG 3.42Å; F59-I338 HydrophobicContact CE1-CB 4.32Å; F59-I338 HydrophobicContact CZ-CB 4.18Å; F59-I338 HydrophobicContact CZ-CG2 4.12Å; F59-L339 HydrophobicContact CD1-CD1 4.06Å; F59-L339 HydrophobicContact CD2-CD1 4.28Å; F59-L339 HydrophobicContact CE1-CB 3.93Å; F59-L339 HydrophobicContact CE1-CD1 3.59Å; F59-L339 HydrophobicContact CE1-CG 3.72Å; F59-L339 HydrophobicContact CE2-CD1 3.84Å; F59-L339 HydrophobicContact CE2-CG 4.49Å; F59-L339 HydrophobicContact CG-CD1 4.4Å; F59-L339 HydrophobicContact CZ-CB 4.41Å; F59-L339 HydrophobicContact CZ-CD1 3.48Å; F59-L339 VanDerWaalsContact CZ-CD1 3.48Å; F59-L339 HydrophobicContact CZ-CG 3.69Å; F59-Y350 HydrophobicContact CB-CD1 3.91Å; F59-Y350 HydrophobicContact CB-CG 4.45Å; F59-Y350 HydrophobicContact CD1-CD1 4.25Å; F59-Y350 HydrophobicContact CD2-CD1 4.45Å; F59-Y350 AromaticContact CG-CD1 3.94Å; F59-Y350 HydrophobicContact CG-CD1 3.94Å; F59-K353 HydrophobicContact CE2-CB 3.88Å; F59-K353 HydrophobicContact CE2-CG 3.89Å; F59-K353 HydrophobicContact CZ-CB 4.45Å; F59-K353 HydrophobicContact CZ-CG 4.04Å; F59-L354 HydrophobicContact CD2-CB 4.16Å; F59-I357 HydrophobicContact CE2-CD1 3.86Å; F59-I357 HydrophobicContact CZ-CD1 3.97Å
60R92.2Very high92.1Very high6 Ų638.4 Ų38.42%0.02319%0.185CC..Hα-helixtrans-65-50178.6179.6-179.5-69.2121.9-1.1112.9Q56 R57 T58 I62 S63 F64 G158 T160 R161 D341Q56-R60 WeakPolarHBondContact O-CB 3.38Å; Q56-R60 PolarHBondContact O-N 3.23Å; Q56-R60 VanDerWaalsContact OE1-CZ 3.26Å; R57-R60 PolarHBondContact O-N 3.38Å; T58-R60 VanDerWaalsContact C-N 3.28Å; T58-R60 PolarHBondContact O-N 2.94Å; R60-I62 VanDerWaalsContact C-N 3.27Å; R60-I62 PolarHBondContact O-N 3.32Å; R60-S63 PolarHBondContact O-N 3.13Å; R60-S63 VanDerWaalsContact O-N 3.13Å; R60-F64 HydrophobicContact CG-CD2 3.6Å; R60-F64 HydrophobicContact CG-CE2 3.66Å; R60-F64 WeakPolarHBondContact O-CD2 3.36Å; R60-F64 PolarHBondContact O-N 2.88Å; R60-G158 WeakPolarHBondContact CD-O 3.38Å; R60-T160 VanDerWaalsContact CD-O 3.29Å; R60-T160 WeakPolarHBondContact CD-O 3.44Å; R60-R161 VanDerWaalsContact NH2-CZ 3.3Å; R60-D341 IonicContact CZ-OD1 2.72Å; R60-D341 IonicContact NE-OD1 3.39Å; R60-D341 PolarHBondContact NE-OD1 3.37Å; R60-D341 IonicContact NE-OD2 2.71Å; R60-D341 IonicContact NH2-OD1 3.53Å; R60-D341 PolarHBondContact NH2-OD1 3.45Å
61E93.9Very high92.4Very high14 Ų1429.7 Ų29.77%0.06515%0.152CC..Hα-helixtrans-53.6-49.8177.8-168.2-163.4155.400109.6K43 R57 T58 S63 L65 F157K43-E61 IonicContact NZ-OE1 3.47Å; K43-E61 PolarHBondContact NZ-OE1 3.34Å; K43-E61 IonicContact NZ-OE2 2.89Å; K43-E61 PolarHBondContact NZ-OE2 3.24Å; R57-E61 WeakPolarHBondContact O-CB 3.42Å; R57-E61 PolarHBondContact O-N 3.16Å; T58-E61 PolarHBondContact O-N 3.48Å; E61-S63 PolarHBondContact O-N 2.99Å; E61-L65 HydrophobicContact CG-CD1 3.83Å; E61-L65 VanDerWaalsContact O-CB 3.24Å; E61-L65 WeakPolarHBondContact O-CB 3.37Å; E61-L65 WeakPolarHBondContact O-CD1 3.25Å; E61-L65 WeakPolarHBondContact O-CG 3.29Å; E61-L65 PolarHBondContact O-N 3.43Å; E61-F157 HydrophobicContact CG-CB 4.46Å
62I94.8Very high92.7Very high0 Ų029.8 Ų29.80%016%0.156CC..Hα-helixtrans-65.3-38.1179.8-65166.7000112T58 R60 Q66 L77 V80 I89 L91 L354T58-I62 HydrophobicContact CG2-CD1 3.8Å; T58-I62 WeakPolarHBondContact O-CD1 3.22Å; T58-I62 VanDerWaalsContact O-CG1 3.3Å; T58-I62 WeakPolarHBondContact O-CG1 3.39Å; T58-I62 PolarHBondContact O-N 2.88Å; T58-I62 VanDerWaalsContact O-N 3.15Å; R60-I62 VanDerWaalsContact C-N 3.27Å; R60-I62 PolarHBondContact O-N 3.32Å; I62-Q66 VanDerWaalsContact CG2-NE2 3.3Å; I62-Q66 VanDerWaalsContact O-CG 3.24Å; I62-Q66 WeakPolarHBondContact O-CG 3.26Å; I62-Q66 PolarHBondContact O-N 3.21Å; I62-Q66 PolarHBondContact O-NE2 3.43Å; I62-L77 HydrophobicContact CG2-CD2 4.12Å; I62-V80 HydrophobicContact CD1-CG1 4.22Å; I62-V80 HydrophobicContact CG2-CG2 3.99Å; I62-I89 HydrophobicContact CD1-CG2 4.19Å; I62-L91 HydrophobicContact CD1-CD2 3.73Å; I62-L91 HydrophobicContact CG1-CD1 4.22Å; I62-L91 HydrophobicContact CG1-CD2 3.73Å; I62-L354 HydrophobicContact CB-CD1 4.24Å; I62-L354 HydrophobicContact CD1-CD1 3.68Å; I62-L354 HydrophobicContact CD1-CD2 3.73Å; I62-L354 HydrophobicContact CD1-CG 4.38Å; I62-L354 HydrophobicContact CG2-CD1 3.76Å
63S93.8Very high93.1Very high7 Ų726 Ų265%0.04914%0.138CC..Hα-helixtrans-67.9-50.6-179.3-64.50000112.1F59 R60 E61 Q66 Q67F59-S63 VanDerWaalsContact CE1-OG 3.29Å; F59-S63 WeakPolarHBondContact CE1-OG 3.18Å; F59-S63 VanDerWaalsContact O-CB 3.3Å; F59-S63 WeakPolarHBondContact O-CB 3.4Å; F59-S63 PolarHBondContact O-N 3.35Å; F59-S63 PolarHBondContact O-OG 3.42Å; R60-S63 PolarHBondContact O-N 3.13Å; R60-S63 VanDerWaalsContact O-N 3.13Å; E61-S63 PolarHBondContact O-N 2.99Å; S63-Q66 PolarHBondContact O-N 2.99Å; S63-Q67 PolarHBondContact O-N 3.2Å
64F94.5Very high93.5Very high3 Ų323.7 Ų23.71%0.01312%0.124CC..Hα-helixtrans-66.1-40.3178.5-78.1-68.9000112.1R60 Q66 Q67 F68 V134 F157 T160 V335 P337R60-F64 HydrophobicContact CG-CD2 3.6Å; R60-F64 HydrophobicContact CG-CE2 3.66Å; R60-F64 WeakPolarHBondContact O-CD2 3.36Å; R60-F64 PolarHBondContact O-N 2.88Å; F64-Q66 PolarHBondContact O-N 3.12Å; F64-Q67 PolarHBondContact O-N 3.24Å; F64-Q67 VanDerWaalsContact O-N 3.15Å; F64-F68 HydrophobicContact CB-CD2 4.09Å; F64-F68 HydrophobicContact CB-CE2 3.92Å; F64-F68 AromaticContact CD1-CE2 3.7Å; F64-F68 HydrophobicContact CD1-CE2 3.7Å; F64-F68 AromaticContact CD1-CZ 3.75Å; F64-F68 HydrophobicContact CD1-CZ 3.75Å; F64-F68 HydrophobicContact CE1-CZ 4.39Å; F64-F68 HydrophobicContact CG-CE2 4.17Å; F64-F68 WeakPolarHBondContact O-CB 3.27Å; F64-F68 WeakPolarHBondContact O-CD2 3.22Å; F64-F68 WeakPolarHBondContact O-CG 3.23Å; F64-F68 PolarHBondContact O-N 2.91Å; F64-V134 HydrophobicContact CD1-CG1 4.33Å; F64-V134 HydrophobicContact CE1-CG1 3.89Å; F64-V134 HydrophobicContact CE1-CG2 3.77Å; F64-V134 HydrophobicContact CZ-CG1 4.39Å; F64-F157 HydrophobicContact CB-CB 4.03Å; F64-F157 HydrophobicContact CB-CD1 4.26Å; F64-F157 HydrophobicContact CB-CG 4.34Å; F64-T160 HydrophobicContact CD1-CG2 3.95Å; F64-T160 HydrophobicContact CD2-CG2 3.65Å; F64-T160 HydrophobicContact CE1-CG2 3.97Å; F64-T160 HydrophobicContact CE2-CG2 3.67Å; F64-T160 HydrophobicContact CG-CG2 3.81Å; F64-T160 HydrophobicContact CZ-CG2 3.84Å; F64-V335 HydrophobicContact CD1-CG1 4.16Å; F64-V335 HydrophobicContact CE1-CG1 3.63Å; F64-P337 HydrophobicContact CZ-CG 4.45Å
65L95.2Very high93.9Very high1 Ų122.9 Ų22.91%0.00512%0.119CC..Hα-helixtrans-59.7-26174.3-77.2170.1000113.9E61 I75 L77 F93 F157E61-L65 HydrophobicContact CG-CD1 3.83Å; E61-L65 VanDerWaalsContact O-CB 3.24Å; E61-L65 WeakPolarHBondContact O-CB 3.37Å; E61-L65 WeakPolarHBondContact O-CD1 3.25Å; E61-L65 WeakPolarHBondContact O-CG 3.29Å; E61-L65 PolarHBondContact O-N 3.43Å; L65-I75 HydrophobicContact CD2-CG2 3.64Å; L65-I75 WeakPolarHBondContact CD2-O 3.45Å; L65-L77 HydrophobicContact CB-CB 3.92Å; L65-L77 HydrophobicContact CB-CD2 3.82Å; L65-L77 HydrophobicContact CD1-CB 4.34Å; L65-L77 HydrophobicContact CD1-CD2 4.07Å; L65-F93 HydrophobicContact CD1-CE1 3.61Å; L65-F93 HydrophobicContact CD1-CZ 3.75Å; L65-F93 HydrophobicContact CD2-CE1 4.19Å; L65-F157 HydrophobicContact CD2-CD2 3.55Å; L65-F157 HydrophobicContact CD2-CE2 3.84Å; L65-F157 HydrophobicContact CG-CD2 3.95Å
66Q92.9Very high94.2Very high46 Ų4628.3 Ų28.322%0.21514%0.14CC..Hα-helixtrans-81.1-38.7174.7-73.5-171.778.400112.8I62 S63 F64 S69 L77I62-Q66 VanDerWaalsContact CG2-NE2 3.3Å; I62-Q66 VanDerWaalsContact O-CG 3.24Å; I62-Q66 WeakPolarHBondContact O-CG 3.26Å; I62-Q66 PolarHBondContact O-N 3.21Å; I62-Q66 PolarHBondContact O-NE2 3.43Å; S63-Q66 PolarHBondContact O-N 2.99Å; F64-Q66 PolarHBondContact O-N 3.12Å; Q66-S69 PolarHBondContact O-OG 2.88Å; Q66-L77 HydrophobicContact CG-CD2 4.31Å
67Q91.8Very high94.4Very high65 Ų6527.9 Ų27.930%0.30414%0.138SC..Hα-helixtrans-71.3-32.7175.9-61.3-162.847.100112.2S63 F64 V335 T336S63-Q67 PolarHBondContact O-N 3.2Å; F64-Q67 PolarHBondContact O-N 3.24Å; F64-Q67 VanDerWaalsContact O-N 3.15Å; Q67-V335 VanDerWaalsContact OE1-CG1 3.28Å; Q67-T336 PolarHBondContact NE2-O 2.85Å
68F94.8Very high94.6Very high0 Ų028.1 Ų28.10%014%0.144CC..THydrogen-bonded Turntrans-90.57.5-178.6-59.1-30.7000115F64 N70 H71 I74 Y128 I129 V134 F157 L331 V335F64-F68 HydrophobicContact CB-CD2 4.09Å; F64-F68 HydrophobicContact CB-CE2 3.92Å; F64-F68 AromaticContact CD1-CE2 3.7Å; F64-F68 HydrophobicContact CD1-CE2 3.7Å; F64-F68 AromaticContact CD1-CZ 3.75Å; F64-F68 HydrophobicContact CD1-CZ 3.75Å; F64-F68 HydrophobicContact CE1-CZ 4.39Å; F64-F68 HydrophobicContact CG-CE2 4.17Å; F64-F68 WeakPolarHBondContact O-CB 3.27Å; F64-F68 WeakPolarHBondContact O-CD2 3.22Å; F64-F68 WeakPolarHBondContact O-CG 3.23Å; F64-F68 PolarHBondContact O-N 2.91Å; F68-N70 PolarHBondContact O-N 3.01Å; F68-H71 PolarHBondContact O-N 3.41Å; F68-I74 HydrophobicContact CB-CD1 3.92Å; F68-I74 HydrophobicContact CB-CG2 4.06Å; F68-I74 HydrophobicContact CD2-CD1 4.48Å; F68-I74 HydrophobicContact CG-CD1 4.27Å; F68-Y128 HydrophobicContact CB-CE1 4Å; F68-Y128 HydrophobicContact CD1-CD1 4.28Å; F68-Y128 AromaticContact CD1-CE1 3.6Å; F68-Y128 HydrophobicContact CD1-CE1 3.6Å; F68-Y128 HydrophobicContact CE1-CE1 4.42Å; F68-Y128 HydrophobicContact CG-CE1 4.1Å; F68-I129 HydrophobicContact CD2-CG1 4.46Å; F68-I129 HydrophobicContact CE2-CG1 4.14Å; F68-I129 HydrophobicContact CE2-CG2 4.48Å; F68-I129 HydrophobicContact CZ-CG1 4.27Å; F68-I129 HydrophobicContact CZ-CG2 4.26Å; F68-V134 HydrophobicContact CE2-CG1 4.35Å; F68-V134 HydrophobicContact CZ-CB 4.11Å; F68-V134 HydrophobicContact CZ-CG1 3.9Å; F68-V134 HydrophobicContact CZ-CG2 4.15Å; F68-F157 AromaticContact CD2-CD1 3.87Å; F68-F157 HydrophobicContact CD2-CD1 3.87Å; F68-F157 AromaticContact CD2-CE1 3.52Å; F68-F157 HydrophobicContact CD2-CE1 3.52Å; F68-F157 HydrophobicContact CD2-CZ 4.12Å; F68-F157 AromaticContact CE2-CD1 3.83Å; F68-F157 HydrophobicContact CE2-CD1 3.83Å; F68-F157 AromaticContact CE2-CE1 3.68Å; F68-F157 HydrophobicContact CE2-CE1 3.68Å; F68-L331 HydrophobicContact CD1-CD1 4.16Å; F68-L331 HydrophobicContact CE1-CD1 3.76Å; F68-V335 HydrophobicContact CE1-CG2 4.08Å
69S91.6Very high94.7Very high45 Ų4530.1 Ų30.132%0.31515%0.154SC..THydrogen-bonded Turntrans-62.8-8.6-171.469.10000116.3Q66Q66-S69 PolarHBondContact O-OG 2.88Å
70N89.2Confident94.7Very high122 Ų12230 Ų3065%0.65215%0.154SC*.THydrogen-bonded Turntrans-101.7-7.9-172.1-61.1-7.8000113.4F68F68-N70 PolarHBondContact O-N 3.01Å
71H96.9Very high94.9Very high5 Ų530.7 Ų30.72%0.02316%0.158CC..  trans-86.4130177.6-167.7-97.8000111.2F68 N73 I74 Y128F68-H71 PolarHBondContact O-N 3.41Å; H71-N73 VanDerWaalsContact C-N 3.29Å; H71-N73 PolarHBondContact ND1-N 3.04Å; H71-N73 PolarHBondContact O-N 3.2Å; H71-I74 HydrophobicContact CB-CB 4.28Å; H71-I74 HydrophobicContact CB-CD1 3.94Å; H71-I74 HydrophobicContact CB-CG1 4.12Å; H71-I74 PolarHBondContact O-N 3.31Å; H71-Y128 HydrophobicContact CB-CD1 3.69Å; H71-Y128 HydrophobicContact CB-CD2 4.21Å; H71-Y128 HydrophobicContact CB-CE1 3.75Å; H71-Y128 HydrophobicContact CB-CE2 4.26Å; H71-Y128 HydrophobicContact CB-CG 3.92Å; H71-Y128 AromaticContact CD2-CD2 3.69Å; H71-Y128 AromaticContact CD2-CG 3.54Å; H71-Y128 AromaticContact CG-CD1 3.96Å; H71-Y128 AromaticContact CG-CG 3.78Å
72P97Very high94.8Very high56 Ų5634 Ų3436%0.36417%0.172SC..THydrogen-bonded Turntrans-59.8-37-176.122-33.6000113K153P72-K153 WeakPolarHBondContact O-CD 3.38Å; P72-K153 WeakPolarHBondContact O-CE 3.36Å; P72-K153 PolarHBondContact O-NZ 2.79Å
73N98.3Very high94.7Very high7 Ų734.1 Ų34.14%0.03717%0.173CC..THydrogen-bonded Turntrans-93.516.8-176.9-60.1108.4000115.3H71 Q121 R124 A125 V152 L154H71-N73 VanDerWaalsContact C-N 3.29Å; H71-N73 PolarHBondContact ND1-N 3.04Å; H71-N73 PolarHBondContact O-N 3.2Å; N73-Q121 PolarHBondContact ND2-OE1 2.97Å; N73-R124 PolarHBondContact OD1-NH1 3.16Å; N73-A125 HydrophobicContact CB-CB 4.09Å; N73-V152 VanDerWaalsContact CA-O 3.25Å; N73-V152 WeakPolarHBondContact CA-O 3.35Å; N73-V152 WeakPolarHBondContact CB-O 3.17Å; N73-V152 PolarHBondContact ND2-O 2.87Å; N73-L154 PolarHBondContact O-N 2.67Å
74I98.1Very high94.5Very high2 Ų239.4 Ų39.41%0.0120%0.197CC..BIsolated β-bridgetrans-111.5142.6170.2-66176.6000109F68 H71 R76 A125 Y128 I129 K153 F157F68-I74 HydrophobicContact CB-CD1 3.92Å; F68-I74 HydrophobicContact CB-CG2 4.06Å; F68-I74 HydrophobicContact CD2-CD1 4.48Å; F68-I74 HydrophobicContact CG-CD1 4.27Å; H71-I74 HydrophobicContact CB-CB 4.28Å; H71-I74 HydrophobicContact CB-CD1 3.94Å; H71-I74 HydrophobicContact CB-CG1 4.12Å; H71-I74 PolarHBondContact O-N 3.31Å; I74-R76 PolarHBondContact O-N 3.09Å; I74-A125 HydrophobicContact CG1-CB 4.19Å; I74-Y128 HydrophobicContact CD1-CD1 3.69Å; I74-Y128 HydrophobicContact CD1-CE1 4.12Å; I74-I129 HydrophobicContact CD1-CD1 3.99Å; I74-I129 HydrophobicContact CD1-CG1 3.86Å; I74-K153 WeakPolarHBondContact O-CD 3.21Å; I74-F157 HydrophobicContact CD1-CZ 4.35Å; I74-F157 HydrophobicContact CG1-CZ 4.42Å; I74-F157 HydrophobicContact CG2-CE2 3.78Å; I74-F157 HydrophobicContact CG2-CZ 3.67Å
75I97.7Very high94.3Very high5 Ų542.7 Ų42.73%0.02621%0.214CC..  trans-66.4125.1-178.4-163.466.8000111.1L65 L77 F93 E94 M96 L145 K153 L154 C155L65-I75 HydrophobicContact CD2-CG2 3.64Å; L65-I75 WeakPolarHBondContact CD2-O 3.45Å; I75-L77 PolarHBondContact O-N 2.72Å; I75-F93 HydrophobicContact CG1-CB 4.32Å; I75-F93 HydrophobicContact CG1-CD1 3.79Å; I75-F93 HydrophobicContact CG1-CE1 4.49Å; I75-F93 HydrophobicContact CG1-CG 4.37Å; I75-F93 HydrophobicContact CG2-CD1 4.13Å; I75-F93 HydrophobicContact CG2-CE1 4.02Å; I75-E94 HydrophobicContact CD1-CG 3.69Å; I75-M96 HydrophobicContact CD1-CG 3.9Å; I75-L145 HydrophobicContact CD1-CD1 4.08Å; I75-L145 HydrophobicContact CG1-CD1 4.37Å; I75-K153 HydrophobicContact CB-CB 4.27Å; I75-K153 HydrophobicContact CD1-CB 3.81Å; I75-K153 HydrophobicContact CD1-CG 4.06Å; I75-L154 WeakPolarHBondContact CG2-O 3.43Å; I75-L154 PolarHBondContact N-O 2.83Å; I75-C155 HydrophobicContact CB-CB 4.07Å; I75-C155 HydrophobicContact CG2-CB 3.52Å
76R96.7Very high93.8Very high115 Ų11545 Ų4543%0.43423%0.227SC..  trans-88114.2-174.7-167169.848.4102.69.5112.2I74 L78 E94I74-R76 PolarHBondContact O-N 3.09Å; R76-L78 HydrophobicContact CB-CD2 4.42Å; R76-L78 HydrophobicContact CG-CD2 4.18Å; R76-L78 VanDerWaalsContact CZ-CD2 3.41Å; R76-L78 PolarHBondContact O-N 2.88Å; R76-E94 HydrophobicContact CB-CG 4.43Å; R76-E94 WeakPolarHBondContact CB-OE1 3.16Å; R76-E94 IonicContact CZ-OE2 2.59Å; R76-E94 PolarHBondContact N-OE1 3.06Å; R76-E94 IonicContact NE-OE2 3.63Å; R76-E94 PolarHBondContact NE-OE2 3.4Å; R76-E94 IonicContact NH2-OE2 2.77Å; R76-E94 PolarHBondContact NH2-OE2 2.88Å; R76-E94 PolarHBondContact O-N 3.44Å
77L96.6Very high93.7Very high8 Ų848.4 Ų48.44%0.04224%0.241CC..EExtended strand (participates in β ladder)trans-73100.4172.3179.559.5000110.6I62 L65 Q66 I75 N79 V80 L91 F93I62-L77 HydrophobicContact CG2-CD2 4.12Å; L65-L77 HydrophobicContact CB-CB 3.92Å; L65-L77 HydrophobicContact CB-CD2 3.82Å; L65-L77 HydrophobicContact CD1-CB 4.34Å; L65-L77 HydrophobicContact CD1-CD2 4.07Å; Q66-L77 HydrophobicContact CG-CD2 4.31Å; I75-L77 PolarHBondContact O-N 2.72Å; L77-N79 WeakPolarHBondContact CD1-O 3.15Å; L77-V80 HydrophobicContact CD1-CG2 4.15Å; L77-V80 HydrophobicContact CD2-CG2 3.78Å; L77-V80 HydrophobicContact CG-CG2 4.11Å; L77-L91 HydrophobicContact CD1-CB 3.99Å; L77-L91 HydrophobicContact CD1-CD2 4.2Å; L77-F93 HydrophobicContact CB-CD1 4.35Å; L77-F93 HydrophobicContact CB-CE1 4.08Å; L77-F93 HydrophobicContact CD1-CD1 4.3Å; L77-F93 HydrophobicContact CD1-CE1 3.94Å; L77-F93 HydrophobicContact CD1-CE2 4.39Å; L77-F93 HydrophobicContact CD1-CZ 4Å
78L94.4Very high93.7Very high66 Ų6646 Ų4635%0.34623%0.23SC..EExtended strand (participates in β ladder)trans-73.5-40.7-175.4-50.2-177.7000112.6R76 V92R76-L78 HydrophobicContact CB-CD2 4.42Å; R76-L78 HydrophobicContact CG-CD2 4.18Å; R76-L78 VanDerWaalsContact CZ-CD2 3.41Å; R76-L78 PolarHBondContact O-N 2.88Å; L78-V92 WeakPolarHBondContact CA-O 3.25Å; L78-V92 HydrophobicContact CB-CG1 4.32Å; L78-V92 VanDerWaalsContact CB-O 3.31Å; L78-V92 WeakPolarHBondContact CB-O 3.27Å; L78-V92 HydrophobicContact CD1-CG1 4.4Å; L78-V92 PolarHBondContact N-O 3.37Å
79N94.2Very high93.7Very high51 Ų5146 Ų4627%0.27323%0.23SC..EExtended strand (participates in β ladder)trans-155.9155.3-177.2-162.715.1000111.6L77 I81 V92L77-N79 WeakPolarHBondContact CD1-O 3.15Å; N79-I81 WeakPolarHBondContact ND2-CG1 3.42Å; N79-V92 HydrophobicContact CB-CB 3.9Å; N79-V92 HydrophobicContact CB-CG2 3.99Å; N79-V92 PolarHBondContact N-O 3.47Å; N79-V92 PolarHBondContact O-N 2.81Å
80V95.2Very high94Very high6 Ų643.9 Ų43.94%0.03622%0.215CC..EExtended strand (participates in β ladder)trans-127.9126.3173.5-176.40000107.7I62 L77 I89 L91 I358I62-V80 HydrophobicContact CD1-CG1 4.22Å; I62-V80 HydrophobicContact CG2-CG2 3.99Å; L77-V80 HydrophobicContact CD1-CG2 4.15Å; L77-V80 HydrophobicContact CD2-CG2 3.78Å; L77-V80 HydrophobicContact CG-CG2 4.11Å; V80-I89 HydrophobicContact CG1-CG2 4.1Å; V80-L91 HydrophobicContact CB-CD2 4.36Å; V80-L91 HydrophobicContact CG1-CD2 3.89Å; V80-L91 HydrophobicContact CG2-CD2 3.97Å; V80-I358 HydrophobicContact CB-CD1 4.36Å; V80-I358 HydrophobicContact CB-CG1 4.03Å; V80-I358 HydrophobicContact CG1-CD1 3.56Å; V80-I358 HydrophobicContact CG1-CG1 3.72Å
81I94.5Very high94.3Very high20 Ų2038 Ų3810%0.10318%0.184CC..EExtended strand (participates in β ladder)trans-128.7117.1-174.2-51.4168.3000108.6I10 Y14 N79 Y90 V92I10-I81 HydrophobicContact CD1-CB 4.19Å; I10-I81 HydrophobicContact CD1-CD1 3.92Å; I10-I81 HydrophobicContact CD1-CG2 3.73Å; Y14-I81 HydrophobicContact CE2-CD1 3.84Å; N79-I81 WeakPolarHBondContact ND2-CG1 3.42Å; I81-Y90 PolarHBondContact N-O 3.26Å; I81-Y90 PolarHBondContact O-N 3.36Å; I81-V92 HydrophobicContact CD1-CG2 4.05Å
82K93.4Very high94.3Very high84 Ų8437.9 Ų37.937%0.36518%0.183SC..EExtended strand (participates in β ladder)trans-60.5132.2165.9163.4177.3178.7163.30109.7D86 Y355K82-D86 WeakPolarHBondContact CE-OD1 3.39Å; K82-D86 IonicContact NZ-OD1 3.81Å; K82-D86 PolarHBondContact NZ-OD1 3.19Å; K82-Y355 HydrophobicContact CB-CD1 4.49Å; K82-Y355 HydrophobicContact CB-CE1 4.06Å; K82-Y355 HydrophobicContact CD-CD1 4.25Å; K82-Y355 HydrophobicContact CD-CD2 4.18Å; K82-Y355 HydrophobicContact CD-CE1 3.87Å; K82-Y355 HydrophobicContact CD-CE2 3.8Å; K82-Y355 HydrophobicContact CD-CG 4.39Å; K82-Y355 HydrophobicContact CG-CE1 4.01Å
83A92.4Very high94.3Very high2 Ų236 Ų362%0.01717%0.169CC..  trans-69.9157.4172.300000112.6E7 N85 D86 D88 Y90E7-A83 VanDerWaalsContact OE2-CA 3.23Å; E7-A83 WeakPolarHBondContact OE2-CA 3.25Å; E7-A83 VanDerWaalsContact OE2-CB 3.25Å; E7-A83 WeakPolarHBondContact OE2-CB 3.23Å; A83-N85 WeakPolarHBondContact CB-OD1 3.46Å; A83-N85 PolarHBondContact O-N 3.2Å; A83-D86 PolarHBondContact O-N 3.04Å; A83-D88 HydrophobicContact CB-CB 3.69Å; A83-D88 WeakPolarHBondContact CB-O 3.33Å; A83-D88 PolarHBondContact N-O 3.34Å; A83-Y90 HydrophobicContact CB-CD2 4.25Å; A83-Y90 HydrophobicContact CB-CE2 4Å
84E90Very high94.2Very high118 Ų11837.1 Ų37.155%0.55118%0.175SC*.THydrogen-bonded Turntrans-62-25.1175.3-67.2171.1-16600111.8E7 V9E7-E84 PolarHBondContact OE2-N 2.76Å; V9-E84 HydrophobicContact CB-CG 4.42Å; V9-E84 WeakPolarHBondContact CB-OE1 3.43Å; V9-E84 HydrophobicContact CG1-CG 3.85Å; V9-E84 WeakPolarHBondContact CG1-OE1 3.45Å; V9-E84 PolarHBondContact N-OE1 2.94Å
85N88.9Confident94.1Very high72 Ų7238.8 Ų38.839%0.38518%0.181SC..THydrogen-bonded Turntrans-89.72.6-176.67210.3000116.1A83 K87 D88A83-N85 WeakPolarHBondContact CB-OD1 3.46Å; A83-N85 PolarHBondContact O-N 3.2Å; N85-K87 PolarHBondContact O-N 3.41Å; N85-K87 PolarHBondContact OD1-N 3.44Å; N85-D88 PolarHBondContact ND2-OD2 3.29Å; N85-D88 PolarHBondContact OD1-N 3.37Å
86D86.1Confident94.1Very high51 Ų5139.8 Ų39.827%0.27319%0.186SC..SBendtrans59.55.7-177.5-151.469.1000116.6K82 A83 R351 Y355K82-D86 WeakPolarHBondContact CE-OD1 3.39Å; K82-D86 IonicContact NZ-OD1 3.81Å; K82-D86 PolarHBondContact NZ-OD1 3.19Å; A83-D86 PolarHBondContact O-N 3.04Å; D86-R351 PolarHBondContact O-NH1 3.48Å; D86-R351 IonicContact OD2-CZ 2.58Å; D86-R351 IonicContact OD2-NE 3.69Å; D86-R351 IonicContact OD2-NH1 3.99Å; D86-R351 PolarHBondContact OD2-NH1 3.21Å; D86-Y355 PolarHBondContact O-OH 3.27Å; D86-Y355 VanDerWaalsContact OD1-CE2 3.31Å; D86-Y355 WeakPolarHBondContact OD1-CE2 2.82Å; D86-Y355 PolarHBondContact OD1-OH 2.82Å
87K89.4Confident94Very high116 Ų11637.3 Ų37.350%0.50418%0.179SC..SBendtrans-110.1-41.1-178.1-66.3178.7-176.5-174.70112.5D47 A48 N85D47-K87 CarbonylContact C-O 3.58Å; A48-K87 PolarHBondContact N-O 2.95Å; N85-K87 PolarHBondContact O-N 3.41Å; N85-K87 PolarHBondContact OD1-N 3.44Å
88D93.4Very high93.9Very high15 Ų1538.7 Ų38.78%0.0819%0.188CC..  trans-93156.3-175-57-38.7000112.6K44 I45 F46 D47 A83 N85K44-D88 HydrophobicContact CD-CB 4.5Å; K44-D88 WeakPolarHBondContact CE-OD2 2.93Å; K44-D88 HydrophobicContact CG-CB 4.38Å; K44-D88 IonicContact NZ-OD2 2.68Å; K44-D88 PolarHBondContact NZ-OD2 3.09Å; I45-D88 WeakPolarHBondContact O-CA 3.3Å; I45-D88 WeakPolarHBondContact O-CB 3.47Å; F46-D88 VanDerWaalsContact CA-OD1 3.32Å; F46-D88 WeakPolarHBondContact CA-OD1 3.26Å; D47-D88 PolarHBondContact N-OD1 2.92Å; A83-D88 HydrophobicContact CB-CB 3.69Å; A83-D88 WeakPolarHBondContact CB-O 3.33Å; A83-D88 PolarHBondContact N-O 3.34Å; N85-D88 PolarHBondContact ND2-OD2 3.29Å; N85-D88 PolarHBondContact OD1-N 3.37Å
89I94.8Very high94Very high0 Ų036.6 Ų36.60%018%0.177CC..EExtended strand (participates in β ladder)trans-127.5129174.6-63.9-66.6000110I45 A48 F49 I62 V80 L91 L354 Y355I45-I89 PolarHBondContact N-O 2.88Å; I45-I89 PolarHBondContact O-N 3.22Å; I45-I89 VanDerWaalsContact O-N 3.16Å; A48-I89 HydrophobicContact CB-CB 4.29Å; A48-I89 HydrophobicContact CB-CG1 3.79Å; F49-I89 HydrophobicContact CE2-CD1 3.93Å; F49-I89 HydrophobicContact CE2-CG1 4Å; F49-I89 HydrophobicContact CZ-CD1 4.24Å; F49-I89 HydrophobicContact CZ-CG1 4.3Å; I62-I89 HydrophobicContact CD1-CG2 4.19Å; V80-I89 HydrophobicContact CG1-CG2 4.1Å; I89-L91 HydrophobicContact CG2-CD2 3.69Å; I89-L91 HydrophobicContact CG2-CG 4.26Å; I89-L354 HydrophobicContact CD1-CD2 3.84Å; I89-L354 HydrophobicContact CG1-CD2 4.15Å; I89-Y355 HydrophobicContact CD1-CE1 4.03Å
90Y96.1Very high94.2Very high0 Ų034.2 Ų34.20%016%0.164CC..EExtended strand (participates in β ladder)trans-99.1119.5171.9-69-90.2000110.6V6 E7 I10 W29 L42 K43 K44 I81 A83V6-Y90 HydrophobicContact CG1-CE1 4.47Å; E7-Y90 PolarHBondContact N-OH 2.99Å; E7-Y90 VanDerWaalsContact N-OH 3.17Å; E7-Y90 WeakPolarHBondContact OE1-CE2 3.03Å; E7-Y90 PolarHBondContact OE1-OH 3.21Å; I10-Y90 HydrophobicContact CD1-CD1 4.2Å; I10-Y90 HydrophobicContact CD1-CD2 3.71Å; I10-Y90 HydrophobicContact CD1-CE2 4.1Å; I10-Y90 HydrophobicContact CD1-CG 3.75Å; I10-Y90 HydrophobicContact CG1-CD1 4.1Å; I10-Y90 HydrophobicContact CG1-CD2 3.91Å; I10-Y90 HydrophobicContact CG1-CE1 3.97Å; I10-Y90 HydrophobicContact CG1-CE2 3.78Å; I10-Y90 HydrophobicContact CG1-CG 4.06Å; W29-Y90 HydrophobicContact CZ3-CE1 4.28Å; L42-Y90 HydrophobicContact CD1-CD1 3.98Å; L42-Y90 HydrophobicContact CD2-CD1 4.2Å; L42-Y90 HydrophobicContact CD2-CE1 4.46Å; L42-Y90 HydrophobicContact CG-CD1 4.18Å; K43-Y90 CarbonylContact O-C 3.57Å; K43-Y90 WeakPolarHBondContact O-CA 3.4Å; K44-Y90 HydrophobicContact CB-CD1 3.81Å; K44-Y90 HydrophobicContact CB-CE1 3.73Å; K44-Y90 HydrophobicContact CD-CD1 4.42Å; K44-Y90 HydrophobicContact CD-CE1 3.63Å; K44-Y90 HydrophobicContact CD-CE2 4.22Å; K44-Y90 WeakPolarHBondContact CD-OH 3.31Å; K44-Y90 HydrophobicContact CG-CD1 4.1Å; K44-Y90 HydrophobicContact CG-CE1 3.8Å; K44-Y90 HydrophobicContact CG-CE2 4.49Å; K44-Y90 PolarHBondContact NZ-OH 2.98Å; I81-Y90 PolarHBondContact N-O 3.26Å; I81-Y90 PolarHBondContact O-N 3.36Å; A83-Y90 HydrophobicContact CB-CD2 4.25Å; A83-Y90 HydrophobicContact CB-CE2 4Å
91L96.1Very high94.2Very high0 Ų035.2 Ų35.20%017%0.17CC..EExtended strand (participates in β ladder)trans-103132.8172.9-55.9-174.5000110K43 I45 I62 L77 V80 I89 F93K43-L91 HydrophobicContact CB-CB 4.32Å; K43-L91 HydrophobicContact CD-CD1 4.35Å; K43-L91 PolarHBondContact N-O 2.99Å; K43-L91 PolarHBondContact O-N 2.73Å; I45-L91 HydrophobicContact CD1-CD1 3.81Å; I45-L91 HydrophobicContact CD1-CG 4.27Å; I62-L91 HydrophobicContact CD1-CD2 3.73Å; I62-L91 HydrophobicContact CG1-CD1 4.22Å; I62-L91 HydrophobicContact CG1-CD2 3.73Å; L77-L91 HydrophobicContact CD1-CB 3.99Å; L77-L91 HydrophobicContact CD1-CD2 4.2Å; V80-L91 HydrophobicContact CB-CD2 4.36Å; V80-L91 HydrophobicContact CG1-CD2 3.89Å; V80-L91 HydrophobicContact CG2-CD2 3.97Å; I89-L91 HydrophobicContact CG2-CD2 3.69Å; I89-L91 HydrophobicContact CG2-CG 4.26Å; L91-F93 HydrophobicContact CB-CD2 4.17Å; L91-F93 HydrophobicContact CB-CE2 3.46Å; L91-F93 VanDerWaalsContact CB-CE2 3.46Å; L91-F93 HydrophobicContact CB-CZ 4.06Å; L91-F93 HydrophobicContact CD1-CE2 4.06Å; L91-F93 HydrophobicContact CD1-CZ 4.01Å; L91-F93 HydrophobicContact CG-CE2 4.42Å
92V96.7Very high94.2Very high1 Ų137.6 Ų37.61%0.00618%0.183CC..EExtended strand (participates in β ladder)trans-113.2119.6-179.4-172.50000108.9Y14 L40 L42 L78 N79 I81Y14-V92 HydrophobicContact CE1-CG1 4.22Å; Y14-V92 HydrophobicContact CE2-CG2 4.48Å; L40-V92 HydrophobicContact CD1-CG1 4.15Å; L40-V92 HydrophobicContact CD2-CG1 3.92Å; L40-V92 HydrophobicContact CG-CG1 4.45Å; L42-V92 HydrophobicContact CD1-CG2 3.93Å; L78-V92 WeakPolarHBondContact CA-O 3.25Å; L78-V92 HydrophobicContact CB-CG1 4.32Å; L78-V92 VanDerWaalsContact CB-O 3.31Å; L78-V92 WeakPolarHBondContact CB-O 3.27Å; L78-V92 HydrophobicContact CD1-CG1 4.4Å; L78-V92 PolarHBondContact N-O 3.37Å; N79-V92 HydrophobicContact CB-CB 3.9Å; N79-V92 HydrophobicContact CB-CG2 3.99Å; N79-V92 PolarHBondContact N-O 3.47Å; N79-V92 PolarHBondContact O-N 2.81Å; I81-V92 HydrophobicContact CD1-CG2 4.05Å
93F97.3Very high94.3Very high16 Ų1634.2 Ų34.27%0.0717%0.169CC..EExtended strand (participates in β ladder)trans-119162.9-177.2-65.6-85.3000111.3L40 A41 K43 L65 I75 L77 L91L40-F93 WeakPolarHBondContact CA-O 3.48Å; L40-F93 VanDerWaalsContact CB-O 3.23Å; L40-F93 WeakPolarHBondContact CB-O 3.19Å; A41-F93 HydrophobicContact CB-CB 4.19Å; A41-F93 PolarHBondContact N-O 3.31Å; A41-F93 PolarHBondContact O-N 3Å; K43-F93 HydrophobicContact CB-CD2 4.47Å; K43-F93 HydrophobicContact CB-CE2 4.15Å; K43-F93 HydrophobicContact CD-CE2 4.21Å; L65-F93 HydrophobicContact CD1-CE1 3.61Å; L65-F93 HydrophobicContact CD1-CZ 3.75Å; L65-F93 HydrophobicContact CD2-CE1 4.19Å; I75-F93 HydrophobicContact CG1-CB 4.32Å; I75-F93 HydrophobicContact CG1-CD1 3.79Å; I75-F93 HydrophobicContact CG1-CE1 4.49Å; I75-F93 HydrophobicContact CG1-CG 4.37Å; I75-F93 HydrophobicContact CG2-CD1 4.13Å; I75-F93 HydrophobicContact CG2-CE1 4.02Å; L77-F93 HydrophobicContact CB-CD1 4.35Å; L77-F93 HydrophobicContact CB-CE1 4.08Å; L77-F93 HydrophobicContact CD1-CD1 4.3Å; L77-F93 HydrophobicContact CD1-CE1 3.94Å; L77-F93 HydrophobicContact CD1-CE2 4.39Å; L77-F93 HydrophobicContact CD1-CZ 4Å; L91-F93 HydrophobicContact CB-CD2 4.17Å; L91-F93 HydrophobicContact CB-CE2 3.46Å; L91-F93 VanDerWaalsContact CB-CE2 3.46Å; L91-F93 HydrophobicContact CB-CZ 4.06Å; L91-F93 HydrophobicContact CD1-CE2 4.06Å; L91-F93 HydrophobicContact CD1-CZ 4.01Å; L91-F93 HydrophobicContact CG-CE2 4.42Å
94E96.2Very high94.5Very high32 Ų3234.6 Ų34.615%0.1517%0.171CC..EExtended strand (participates in β ladder)trans-61.9149.3161.261.7-156166.100111.3I75 R76 K153I75-E94 HydrophobicContact CD1-CG 3.69Å; R76-E94 HydrophobicContact CB-CG 4.43Å; R76-E94 WeakPolarHBondContact CB-OE1 3.16Å; R76-E94 IonicContact CZ-OE2 2.59Å; R76-E94 PolarHBondContact N-OE1 3.06Å; R76-E94 IonicContact NE-OE2 3.63Å; R76-E94 PolarHBondContact NE-OE2 3.4Å; R76-E94 IonicContact NH2-OE2 2.77Å; R76-E94 PolarHBondContact NH2-OE2 2.88Å; R76-E94 PolarHBondContact O-N 3.44Å; E94-K153 WeakPolarHBondContact OE1-CE 3.08Å; E94-K153 IonicContact OE1-NZ 2.76Å; E94-K153 PolarHBondContact OE1-NZ 3.38Å; E94-K153 IonicContact OE2-NZ 2.66Å
95Y96.9Very high94.6Very high37 Ų3736.1 Ų36.115%0.14518%0.176CC..  trans-86.4125.8-177.8176.7-102.2000110.8R18 I20 K30 K39 E97R18-Y95 PolarHBondContact NH2-OH 3.01Å; I20-Y95 HydrophobicContact CD1-CD2 4.46Å; I20-Y95 HydrophobicContact CD1-CE2 4.17Å; K30-Y95 HydrophobicContact CB-CD2 4.16Å; K30-Y95 HydrophobicContact CB-CE2 3.79Å; K30-Y95 HydrophobicContact CD-CD2 4.13Å; K30-Y95 HydrophobicContact CD-CE1 4.17Å; K30-Y95 HydrophobicContact CD-CE2 3.52Å; K30-Y95 HydrophobicContact CG-CD2 3.78Å; K30-Y95 HydrophobicContact CG-CE2 3.57Å; K30-Y95 HydrophobicContact CG-CG 4.5Å; K39-Y95 HydrophobicContact CB-CD1 4.44Å; K39-Y95 HydrophobicContact CB-CG 4.44Å; Y95-E97 HydrophobicContact CD1-CG 4.48Å; Y95-E97 HydrophobicContact CE1-CB 4.41Å; Y95-E97 HydrophobicContact CE1-CG 3.88Å
96M96.9Very high94.8Very high25 Ų2537.4 Ų37.412%0.12318%0.178CC..  trans-109.5155.6166-58.8-57.6-71.900109.1I75 L145 N147 L151 K153I75-M96 HydrophobicContact CD1-CG 3.9Å; M96-L145 HydrophobicContact CB-CB 3.67Å; M96-L145 HydrophobicContact CB-CD1 4.33Å; M96-L145 HydrophobicContact CG-CB 3.75Å; M96-L145 HydrophobicContact CG-CD1 4.22Å; M96-N147 HydrophobicContact CE-CB 4.13Å; M96-L151 WeakPolarHBondContact CE-O 3.29Å; M96-K153 HydrophobicContact CE-CB 4.12Å; M96-K153 HydrophobicContact CE-CG 3.58Å; M96-K153 HydrophobicContact CG-CB 4.1Å; M96-K153 HydrophobicContact CG-CG 3.97Å; M96-K153 HydrophobicContact SD-CB 4.25Å; M96-K153 HydrophobicContact SD-CG 3.5Å; M96-K153 WeakPolarHBondContact SD-CG 3.45Å
97E94.5Very high94.8Very high63 Ų6336.5 Ų36.529%0.29418%0.181SC..  trans-92.6-32.3-165.3-51.2-158113.500113.2Y95 L146 N147 S148Y95-E97 HydrophobicContact CD1-CG 4.48Å; Y95-E97 HydrophobicContact CE1-CB 4.41Å; Y95-E97 HydrophobicContact CE1-CG 3.88Å; E97-L146 PolarHBondContact N-O 2.97Å; E97-N147 HydrophobicContact CG-CB 4.09Å; E97-S148 PolarHBondContact OE2-N 2.9Å
98T95.1Very high94.4Very high37 Ų3739.3 Ų39.323%0.22720%0.201CC..EExtended strand (participates in β ladder)trans-155.5-169.9178.9-1600000110.7N102 C103 L145 L146T98-N102 WeakPolarHBondContact OG1-CB 3.24Å; T98-C103 VanDerWaalsContact CG2-SG 3.55Å; T98-L145 WeakPolarHBondContact O-CA 3.45Å; T98-L146 HydrophobicContact CG2-CB 4.11Å; T98-L146 PolarHBondContact N-O 3.36Å; T98-L146 PolarHBondContact O-N 2.9Å
99D96.2Very high94.1Very high23 Ų2341.5 Ų41.512%0.12321%0.213CC..EExtended strand (participates in β ladder)trans-134.3157.2178.858.589.3000109.8N101 N102 C103 I144 L145D99-N101 VanDerWaalsContact C-N 3.28Å; D99-N101 PolarHBondContact O-N 2.91Å; D99-N101 VanDerWaalsContact OD1-CB 3.32Å; D99-N101 WeakPolarHBondContact OD1-CB 3.48Å; D99-N101 PolarHBondContact OD1-N 3.01Å; D99-N101 PolarHBondContact OD1-ND2 2.97Å; D99-N102 PolarHBondContact O-N 2.77Å; D99-N102 PolarHBondContact OD1-N 3.25Å; D99-N102 PolarHBondContact OD1-ND2 2.79Å; D99-N102 PolarHBondContact OD2-ND2 3.49Å; D99-C103 PolarHBondContact O-N 3.06Å; D99-I144 CarbonylContact C-O 3.59Å; D99-I144 VanDerWaalsContact CA-O 3.27Å; D99-I144 WeakPolarHBondContact CA-O 3.41Å; D99-L145 HydrophobicContact CB-CD2 4.06Å
100L97.5Very high93.9Very high0 Ų042.6 Ų42.60%022%0.218CC..Hα-helixtrans-60.7-35.8-174.9-178.962.6000112.3N102 C103 I104 L110 I118 P141 I144 L146 I222 M226L100-N102 VanDerWaalsContact C-N 3.29Å; L100-N102 PolarHBondContact O-N 3.47Å; L100-C103 PolarHBondContact O-N 2.72Å; L100-C103 VanDerWaalsContact O-N 3.16Å; L100-I104 HydrophobicContact CD1-CD1 4.08Å; L100-I104 HydrophobicContact CD1-CG1 4.13Å; L100-I104 HydrophobicContact CD2-CD1 4.46Å; L100-I104 HydrophobicContact CG-CD1 3.85Å; L100-I104 HydrophobicContact CG-CG1 4.33Å; L100-I104 VanDerWaalsContact O-CG1 3.31Å; L100-I104 WeakPolarHBondContact O-CG1 3.29Å; L100-I104 PolarHBondContact O-N 2.8Å; L100-L110 HydrophobicContact CD1-CD1 3.68Å; L100-I118 HydrophobicContact CD1-CD1 4.36Å; L100-I118 HydrophobicContact CD1-CG2 4.3Å; L100-I118 HydrophobicContact CD2-CG2 4.32Å; L100-P141 HydrophobicContact CB-CB 4.06Å; L100-P141 WeakPolarHBondContact CB-O 3.39Å; L100-P141 HydrophobicContact CD2-CB 4.24Å; L100-P141 HydrophobicContact CG-CB 4.07Å; L100-P141 PolarHBondContact N-O 3.17Å; L100-P141 VanDerWaalsContact N-O 3.14Å; L100-I144 HydrophobicContact CB-CB 3.93Å; L100-I144 HydrophobicContact CB-CG2 3.93Å; L100-I144 HydrophobicContact CD2-CB 4.37Å; L100-I144 HydrophobicContact CD2-CD1 3.89Å; L100-I144 HydrophobicContact CD2-CG2 4.13Å; L100-I144 PolarHBondContact N-O 3.17Å; L100-L146 HydrophobicContact CB-CD1 4.16Å; L100-L146 HydrophobicContact CD1-CD1 4.12Å; L100-I222 HydrophobicContact CD2-CG2 3.74Å; L100-M226 HydrophobicContact CD1-CG 4.11Å; L100-M226 HydrophobicContact CD1-SD 3.89Å; L100-M226 HydrophobicContact CD2-CG 4.12Å; L100-M226 HydrophobicContact CD2-SD 3.87Å; L100-M226 HydrophobicContact CG-CG 4.46Å; L100-M226 HydrophobicContact CG-SD 4.46Å
101N95.7Very high93.8Very high28 Ų2847.1 Ų47.115%0.1524%0.235CC..Hα-helixtrans-57.8-41.7173.2137.497.6000111.6D99 K105 P141D99-N101 VanDerWaalsContact C-N 3.28Å; D99-N101 PolarHBondContact O-N 2.91Å; D99-N101 VanDerWaalsContact OD1-CB 3.32Å; D99-N101 WeakPolarHBondContact OD1-CB 3.48Å; D99-N101 PolarHBondContact OD1-N 3.01Å; D99-N101 PolarHBondContact OD1-ND2 2.97Å; N101-K105 VanDerWaalsContact O-CB 3.32Å; N101-K105 WeakPolarHBondContact O-CB 3.44Å; N101-K105 VanDerWaalsContact O-CG 3.32Å; N101-K105 WeakPolarHBondContact O-CG 3.35Å; N101-K105 PolarHBondContact O-N 2.92Å; N101-K105 WeakPolarHBondContact OD1-CD 3.48Å; N101-K105 WeakPolarHBondContact OD1-CE 3.3Å; N101-K105 PolarHBondContact OD1-NZ 2.76Å; N101-P141 HydrophobicContact CB-CB 3.78Å; N101-P141 PolarHBondContact N-O 2.89Å
102N94.8Very high93.7Very high69 Ų6950.8 Ų50.837%0.36926%0.255SS..Hα-helixtrans-77.4-22.1177.8-85.2-40.3000113.5T98 D99 L100 K106T98-N102 WeakPolarHBondContact OG1-CB 3.24Å; D99-N102 PolarHBondContact O-N 2.77Å; D99-N102 PolarHBondContact OD1-N 3.25Å; D99-N102 PolarHBondContact OD1-ND2 2.79Å; D99-N102 PolarHBondContact OD2-ND2 3.49Å; L100-N102 VanDerWaalsContact C-N 3.29Å; L100-N102 PolarHBondContact O-N 3.47Å; N102-K106 WeakPolarHBondContact O-CD 3.47Å; N102-K106 WeakPolarHBondContact O-CG 3.45Å
103C95.7Very high93.6Very high13 Ų1354.2 Ų54.29%0.08828%0.276CS..Hα-helixtrans-72.6-46167.9-74.40000111.8T98 D99 L100 L110 L146T98-C103 VanDerWaalsContact CG2-SG 3.55Å; D99-C103 PolarHBondContact O-N 3.06Å; L100-C103 PolarHBondContact O-N 2.72Å; L100-C103 VanDerWaalsContact O-N 3.16Å; C103-L110 HydrophobicContact CB-CD1 4.04Å; C103-L110 HydrophobicContact CB-CD2 4.25Å; C103-L110 HydrophobicContact CB-CG 4.2Å; C103-L146 HydrophobicContact CB-CD1 4.38Å
104I95.7Very high93.6Very high11 Ų1154.5 Ų54.56%0.05628%0.277CS..Hα-helixtrans-65.7-48-179.4-65.9172.8000110.6L100 K106 G107 L110 E225 M226L100-I104 HydrophobicContact CD1-CD1 4.08Å; L100-I104 HydrophobicContact CD1-CG1 4.13Å; L100-I104 HydrophobicContact CD2-CD1 4.46Å; L100-I104 HydrophobicContact CG-CD1 3.85Å; L100-I104 HydrophobicContact CG-CG1 4.33Å; L100-I104 VanDerWaalsContact O-CG1 3.31Å; L100-I104 WeakPolarHBondContact O-CG1 3.29Å; L100-I104 PolarHBondContact O-N 2.8Å; I104-K106 PolarHBondContact O-N 2.67Å; I104-K106 VanDerWaalsContact O-N 3.1Å; I104-G107 PolarHBondContact O-N 2.82Å; I104-L110 HydrophobicContact CG1-CD1 3.89Å; I104-E225 HydrophobicContact CD1-CG 3.89Å; I104-E225 HydrophobicContact CG2-CG 4.15Å; I104-M226 HydrophobicContact CD1-CB 4.44Å; I104-M226 HydrophobicContact CD1-CG 3.68Å; I104-M226 HydrophobicContact CG1-CG 4.36Å
105K93.8Very high93.6Very high149 Ų14954.1 Ų54.165%0.64828%0.275SS*.THydrogen-bonded Turntrans-61-20.1-178.4-80.7174.9173.5166.20115.8N101 G107N101-K105 VanDerWaalsContact O-CB 3.32Å; N101-K105 WeakPolarHBondContact O-CB 3.44Å; N101-K105 VanDerWaalsContact O-CG 3.32Å; N101-K105 WeakPolarHBondContact O-CG 3.35Å; N101-K105 PolarHBondContact O-N 2.92Å; N101-K105 WeakPolarHBondContact OD1-CD 3.48Å; N101-K105 WeakPolarHBondContact OD1-CE 3.3Å; N101-K105 PolarHBondContact OD1-NZ 2.76Å; K105-G107 VanDerWaalsContact C-N 3.35Å
106K91.9Very high93.6Very high99 Ų9953.7 Ų53.743%0.4327%0.274SS..THydrogen-bonded Turntrans-79.4-19.5175.4-73.1171-174.3170.70112.9N102 I104 I109N102-K106 WeakPolarHBondContact O-CD 3.47Å; N102-K106 WeakPolarHBondContact O-CG 3.45Å; I104-K106 PolarHBondContact O-N 2.67Å; I104-K106 VanDerWaalsContact O-N 3.1Å; K106-I109 HydrophobicContact CB-CD1 3.76Å; K106-I109 HydrophobicContact CD-CD1 3.46Å; K106-I109 VanDerWaalsContact CD-CD1 3.46Å; K106-I109 HydrophobicContact CG-CD1 4.27Å
107G86Confident93.7Very high33 Ų3355.2 Ų55.234%0.3428%0.28SS..  trans67.6164.1-167.500000112.9I104 K105 I109I104-G107 PolarHBondContact O-N 2.82Å; K105-G107 VanDerWaalsContact C-N 3.35Å; G107-I109 PolarHBondContact O-N 3.15Å
108N81.1Confident93.9Very high174 Ų17452.2 Ų52.293%0.9327%0.266SS*.SBendtrans56.6-11.4164.6-56.3-8.3000119.5
109I88.3Confident94Very high62 Ų6250.4 Ų50.432%0.31826%0.255SS..SBendtrans-74.9-33.2179.1-66.6173.3000111.8K106 G107 R111 H114K106-I109 HydrophobicContact CB-CD1 3.76Å; K106-I109 HydrophobicContact CD-CD1 3.46Å; K106-I109 VanDerWaalsContact CD-CD1 3.46Å; K106-I109 HydrophobicContact CG-CD1 4.27Å; G107-I109 PolarHBondContact O-N 3.15Å; I109-R111 PolarHBondContact O-N 3.19Å; I109-H114 PolarHBondContact O-CE1 3.2Å; I109-H114 PolarHBondContact O-ND1 3.48Å
110L90.4Very high94.1Very high22 Ų2249.7 Ų49.712%0.11525%0.251CS..  trans-94.290.5-178.1-60.1-178.2000110.7L100 C103 I104 H114 K115 I118L100-L110 HydrophobicContact CD1-CD1 3.68Å; C103-L110 HydrophobicContact CB-CD1 4.04Å; C103-L110 HydrophobicContact CB-CD2 4.25Å; C103-L110 HydrophobicContact CB-CG 4.2Å; I104-L110 HydrophobicContact CG1-CD1 3.89Å; L110-H114 HydrophobicContact CD2-CB 4.11Å; L110-K115 HydrophobicContact CB-CG 4.2Å; L110-K115 WeakPolarHBondContact O-CE 3.43Å; L110-I118 HydrophobicContact CD2-CD1 3.81Å
111R93.4Very high94.2Very high95 Ų9549.9 Ų49.936%0.35825%0.252SS..  trans-62.8157.4161.4-63.1-175.5-68.3-155.7-5.8109.8I109 V113 H114 K115I109-R111 PolarHBondContact O-N 3.19Å; R111-V113 VanDerWaalsContact C-N 3.27Å; R111-V113 HydrophobicContact CB-CG1 4.09Å; R111-V113 PolarHBondContact O-N 3.07Å; R111-H114 PolarHBondContact N-ND1 2.98Å; R111-H114 PolarHBondContact NE-CE1 3.47Å; R111-H114 PolarHBondContact NE-NE2 3.24Å; R111-H114 VanDerWaalsContact NE-NE2 3.2Å; R111-H114 PolarHBondContact NH2-NE2 3.35Å; R111-H114 WeakPolarHBondContact O-CA 3.44Å; R111-H114 VanDerWaalsContact O-CB 3.26Å; R111-H114 WeakPolarHBondContact O-CB 3.3Å; R111-H114 PolarHBondContact O-N 3.46Å; R111-K115 PolarHBondContact O-N 3.18Å
112D93.6Very high94.3Very high78 Ų7848.5 Ų48.542%0.41724%0.244SC..Hα-helixtrans-62.7-32.8-173.7-55.4-69.4000113.5H114 K115 K116D112-H114 VanDerWaalsContact C-N 3.29Å; D112-H114 PolarHBondContact O-N 2.76Å; D112-K115 WeakPolarHBondContact O-CB 3.49Å; D112-K115 PolarHBondContact O-N 2.9Å; D112-K115 VanDerWaalsContact O-N 3.1Å; D112-K115 WeakPolarHBondContact OD1-CD 3.45Å; D112-K115 WeakPolarHBondContact OD1-CE 3.09Å; D112-K115 IonicContact OD1-NZ 3.15Å; D112-K115 PolarHBondContact OD1-NZ 2.86Å; D112-K116 PolarHBondContact O-N 3.26Å
113V95.3Very high94.5Very high73 Ų7345.2 Ų45.244%0.44223%0.227SC..Hα-helixtrans-59.2-36.1168.664.30000112.8R111 F117 F322R111-V113 VanDerWaalsContact C-N 3.27Å; R111-V113 HydrophobicContact CB-CG1 4.09Å; R111-V113 PolarHBondContact O-N 3.07Å; V113-F117 WeakPolarHBondContact O-CB 3.35Å; V113-F117 PolarHBondContact O-N 2.9Å; V113-F117 VanDerWaalsContact O-N 3.16Å; V113-F322 HydrophobicContact CG2-CZ 3.83Å
114H95.9Very high94.6Very high22 Ų2246 Ų4610%0.10223%0.228CC..Hα-helixtrans-70.1-40.3172.9-49.7166.9000110.7I109 L110 R111 D112 F117 I118I109-H114 PolarHBondContact O-CE1 3.2Å; I109-H114 PolarHBondContact O-ND1 3.48Å; L110-H114 HydrophobicContact CD2-CB 4.11Å; R111-H114 PolarHBondContact N-ND1 2.98Å; R111-H114 PolarHBondContact NE-CE1 3.47Å; R111-H114 PolarHBondContact NE-NE2 3.24Å; R111-H114 VanDerWaalsContact NE-NE2 3.2Å; R111-H114 PolarHBondContact NH2-NE2 3.35Å; R111-H114 WeakPolarHBondContact O-CA 3.44Å; R111-H114 VanDerWaalsContact O-CB 3.26Å; R111-H114 WeakPolarHBondContact O-CB 3.3Å; R111-H114 PolarHBondContact O-N 3.46Å; D112-H114 VanDerWaalsContact C-N 3.29Å; D112-H114 PolarHBondContact O-N 2.76Å; H114-F117 PolarHBondContact O-N 3.45Å; H114-I118 WeakPolarHBondContact O-CB 3.45Å; H114-I118 WeakPolarHBondContact O-CD1 3.21Å; H114-I118 VanDerWaalsContact O-CG1 3.24Å; H114-I118 WeakPolarHBondContact O-CG1 3.37Å; H114-I118 PolarHBondContact O-N 3.35Å
115K97Very high94.8Very high23 Ų2345.5 Ų45.510%0.123%0.225CC..Hα-helixtrans-61.3-50.2177.8-57.9175.2-165.7164.80111.1L110 R111 D112 F117 I118 F119 M226 L227L110-K115 HydrophobicContact CB-CG 4.2Å; L110-K115 WeakPolarHBondContact O-CE 3.43Å; R111-K115 PolarHBondContact O-N 3.18Å; D112-K115 WeakPolarHBondContact O-CB 3.49Å; D112-K115 PolarHBondContact O-N 2.9Å; D112-K115 VanDerWaalsContact O-N 3.1Å; D112-K115 WeakPolarHBondContact OD1-CD 3.45Å; D112-K115 WeakPolarHBondContact OD1-CE 3.09Å; D112-K115 IonicContact OD1-NZ 3.15Å; D112-K115 PolarHBondContact OD1-NZ 2.86Å; K115-F117 PolarHBondContact O-N 3.13Å; K115-I118 PolarHBondContact O-N 3.45Å; K115-F119 WeakPolarHBondContact O-CB 3.11Å; K115-F119 PolarHBondContact O-N 2.88Å; K115-M226 HydrophobicContact CD-CB 4.47Å; K115-M226 WeakPolarHBondContact CD-O 3.38Å; K115-M226 WeakPolarHBondContact CE-O 3.42Å; K115-M226 HydrophobicContact CG-CB 4.38Å; K115-L227 HydrophobicContact CD-CD2 4.26Å
116K97.9Very high95Very high28 Ų2838.5 Ų38.512%0.12220%0.195CC..Hα-helixtrans-55.5-50.9175.4-73.6-174168.7-162.10111.8D112 I118 F119 Y120 D289 Y318 D321 F322D112-K116 PolarHBondContact O-N 3.26Å; K116-I118 PolarHBondContact O-N 2.76Å; K116-F119 PolarHBondContact O-N 2.68Å; K116-Y120 WeakPolarHBondContact O-CB 3.24Å; K116-Y120 PolarHBondContact O-N 3.39Å; K116-D289 VanDerWaalsContact CE-OD2 3.23Å; K116-D289 WeakPolarHBondContact CE-OD2 3.35Å; K116-D289 IonicContact NZ-OD2 3.49Å; K116-Y318 HydrophobicContact CD-CD2 4.37Å; K116-Y318 HydrophobicContact CD-CE2 4.15Å; K116-Y318 WeakPolarHBondContact CD-O 2.98Å; K116-Y318 WeakPolarHBondContact CE-O 3.21Å; K116-Y318 HydrophobicContact CG-CD1 4.41Å; K116-Y318 HydrophobicContact CG-CD2 4.07Å; K116-Y318 HydrophobicContact CG-CE1 3.96Å; K116-Y318 HydrophobicContact CG-CE2 3.54Å; K116-Y318 HydrophobicContact CG-CG 4.47Å; K116-Y318 VanDerWaalsContact CG-CZ 3.49Å; K116-Y318 VanDerWaalsContact CG-O 3.29Å; K116-Y318 WeakPolarHBondContact CG-O 3.5Å; K116-D321 IonicContact NZ-OD2 3.57Å; K116-D321 PolarHBondContact NZ-OD2 3.01Å; K116-F322 HydrophobicContact CB-CD2 4.03Å; K116-F322 HydrophobicContact CB-CE2 3.64Å
117F97.9Very high95.3Very high57 Ų5735.4 Ų35.425%0.2518%0.182CC..Hα-helixtrans-65.3-38.6-178.7-176.7-125.6000113.8V113 H114 K115 Q121 C150 L151 F322V113-F117 WeakPolarHBondContact O-CB 3.35Å; V113-F117 PolarHBondContact O-N 2.9Å; V113-F117 VanDerWaalsContact O-N 3.16Å; H114-F117 PolarHBondContact O-N 3.45Å; K115-F117 PolarHBondContact O-N 3.13Å; F117-Q121 VanDerWaalsContact CE1-NE2 3.27Å; F117-Q121 HydrophobicContact CE2-CG 4.29Å; F117-Q121 HydrophobicContact CZ-CG 4.5Å; F117-Q121 WeakPolarHBondContact O-CG 3.41Å; F117-Q121 PolarHBondContact O-N 3.47Å; F117-Q121 PolarHBondContact O-NE2 2.93Å; F117-C150 HydrophobicContact CD1-CB 4.12Å; F117-C150 HydrophobicContact CE1-CB 4.42Å; F117-L151 HydrophobicContact CE1-CD2 4.32Å; F117-L151 HydrophobicContact CZ-CD2 4.08Å; F117-F322 HydrophobicContact CB-CD1 4.26Å; F117-F322 HydrophobicContact CB-CD2 4.41Å; F117-F322 HydrophobicContact CB-CE1 3.87Å; F117-F322 HydrophobicContact CB-CE2 4.06Å; F117-F322 HydrophobicContact CB-CZ 3.76Å; F117-F322 AromaticContact CD2-CD1 3.49Å; F117-F322 HydrophobicContact CD2-CD1 3.49Å; F117-F322 VanDerWaalsContact CD2-CD1 3.49Å; F117-F322 AromaticContact CD2-CE1 3.71Å; F117-F322 HydrophobicContact CD2-CE1 3.71Å; F117-F322 HydrophobicContact CD2-CG 4.06Å; F117-F322 HydrophobicContact CD2-CZ 4.45Å; F117-F322 HydrophobicContact CE2-CD1 4.25Å; F117-F322 HydrophobicContact CG-CD1 4.24Å; F117-F322 HydrophobicContact CG-CE1 4.04Å; F117-F322 HydrophobicContact CG-CZ 4.43Å
118I98.3Very high95.8Very high0 Ų034.2 Ų34.20%017%0.167CC..Hα-helixtrans-66.1-44174.3-72.8168.5000110.2L100 L110 H114 K115 K116 Q121 L122 L146 C150 V152 M226L100-I118 HydrophobicContact CD1-CD1 4.36Å; L100-I118 HydrophobicContact CD1-CG2 4.3Å; L100-I118 HydrophobicContact CD2-CG2 4.32Å; L110-I118 HydrophobicContact CD2-CD1 3.81Å; H114-I118 WeakPolarHBondContact O-CB 3.45Å; H114-I118 WeakPolarHBondContact O-CD1 3.21Å; H114-I118 VanDerWaalsContact O-CG1 3.24Å; H114-I118 WeakPolarHBondContact O-CG1 3.37Å; H114-I118 PolarHBondContact O-N 3.35Å; K115-I118 PolarHBondContact O-N 3.45Å; K116-I118 PolarHBondContact O-N 2.76Å; I118-Q121 PolarHBondContact O-N 3.15Å; I118-L122 WeakPolarHBondContact O-CB 2.86Å; I118-L122 PolarHBondContact O-N 3.4Å; I118-L146 HydrophobicContact CD1-CD1 4.02Å; I118-L146 HydrophobicContact CD1-CD2 4.07Å; I118-L146 HydrophobicContact CG1-CD2 4.02Å; I118-C150 HydrophobicContact CD1-CB 4.36Å; I118-C150 HydrophobicContact CG1-CB 4.22Å; I118-V152 HydrophobicContact CB-CG2 4.25Å; I118-V152 HydrophobicContact CG1-CG2 4.31Å; I118-V152 HydrophobicContact CG2-CG2 3.88Å; I118-M226 HydrophobicContact CG2-SD 4.03Å
119F98.6Very high96.6Very high0 Ų026 Ų260%012%0.123CC..Hα-helixtrans-67.9-41.5-177.8-156.7-117000112.6K115 K116 Q121 L122 L123 L219 L223 M226 L295 M299 V319K115-F119 WeakPolarHBondContact O-CB 3.11Å; K115-F119 PolarHBondContact O-N 2.88Å; K116-F119 PolarHBondContact O-N 2.68Å; F119-Q121 PolarHBondContact O-N 2.85Å; F119-L122 HydrophobicContact CD2-CD2 4.32Å; F119-L122 HydrophobicContact CE2-CD2 4.44Å; F119-L122 WeakPolarHBondContact O-CB 3.37Å; F119-L122 PolarHBondContact O-N 3.44Å; F119-L123 HydrophobicContact CD1-CD1 3.8Å; F119-L123 HydrophobicContact CD1-CG 4.25Å; F119-L123 HydrophobicContact CE1-CD1 3.91Å; F119-L123 HydrophobicContact CE1-CD2 4.42Å; F119-L123 HydrophobicContact CE1-CG 4.19Å; F119-L123 WeakPolarHBondContact O-CG 3.44Å; F119-L123 PolarHBondContact O-N 3.43Å; F119-L219 HydrophobicContact CE2-CB 4.17Å; F119-L219 HydrophobicContact CE2-CD2 4.39Å; F119-L219 WeakPolarHBondContact CE2-O 3.45Å; F119-L219 HydrophobicContact CZ-CB 4.05Å; F119-L223 HydrophobicContact CD1-CD1 4.4Å; F119-L223 HydrophobicContact CD1-CD2 4.47Å; F119-L223 HydrophobicContact CD2-CB 4.3Å; F119-L223 HydrophobicContact CD2-CD1 4.46Å; F119-L223 HydrophobicContact CE1-CB 4.43Å; F119-L223 HydrophobicContact CE1-CD2 3.93Å; F119-L223 HydrophobicContact CE2-CB 3.75Å; F119-L223 HydrophobicContact CG-CD1 4.34Å; F119-L223 HydrophobicContact CZ-CB 3.81Å; F119-L223 HydrophobicContact CZ-CD2 4.06Å; F119-L223 HydrophobicContact CZ-CG 4.4Å; F119-M226 HydrophobicContact CB-CE 4.05Å; F119-M226 HydrophobicContact CD2-CE 3.7Å; F119-M226 HydrophobicContact CG-CE 4.21Å; F119-L295 HydrophobicContact CD1-CD2 4.17Å; F119-L295 HydrophobicContact CE1-CD2 3.82Å; F119-L295 HydrophobicContact CE1-CG 4.48Å; F119-M299 HydrophobicContact CE1-CE 3.8Å; F119-M299 HydrophobicContact CE1-SD 4.27Å; F119-M299 HydrophobicContact CZ-CE 3.79Å; F119-M299 HydrophobicContact CZ-SD 3.78Å; F119-V319 HydrophobicContact CD1-CG1 4.37Å
120Y98.6Very high97Very high8 Ų823.3 Ų23.33%0.03111%0.109CC..Hα-helixtrans-56.6-48.4173171.7-115.2000112.7K116 L122 L123 R124 L314 V319 F322 D324 S327K116-Y120 WeakPolarHBondContact O-CB 3.24Å; K116-Y120 PolarHBondContact O-N 3.39Å; Y120-L122 VanDerWaalsContact C-N 3.3Å; Y120-L122 PolarHBondContact O-N 2.92Å; Y120-L123 PolarHBondContact O-N 2.83Å; Y120-R124 HydrophobicContact CE2-CG 4.1Å; Y120-R124 VanDerWaalsContact CZ-CD 3.44Å; Y120-R124 WeakPolarHBondContact O-CG 3.32Å; Y120-R124 PolarHBondContact O-N 2.8Å; Y120-L314 HydrophobicContact CD2-CD2 3.79Å; Y120-L314 HydrophobicContact CE2-CD2 3.9Å; Y120-V319 HydrophobicContact CD2-CB 4.4Å; Y120-F322 HydrophobicContact CD1-CB 3.62Å; Y120-F322 HydrophobicContact CE1-CB 4.1Å; Y120-F322 WeakPolarHBondContact CE1-O 3.42Å; Y120-F322 HydrophobicContact CG-CB 3.9Å; Y120-F322 PolarHBondContact OH-O 2.92Å; Y120-D324 PolarHBondContact OH-N 3.05Å; Y120-D324 PolarHBondContact OH-O 3.27Å; Y120-S327 PolarHBondContact OH-OG 3.02Å
121Q98.6Very high97.2Very high3 Ų323.9 Ų23.91%0.01412%0.115CC..Hα-helixtrans-64.2-34.2177.6-71.7176.185.500113.2N73 F117 I118 F119 A125 C150 V152N73-Q121 PolarHBondContact ND2-OE1 2.97Å; F117-Q121 VanDerWaalsContact CE1-NE2 3.27Å; F117-Q121 HydrophobicContact CE2-CG 4.29Å; F117-Q121 HydrophobicContact CZ-CG 4.5Å; F117-Q121 WeakPolarHBondContact O-CG 3.41Å; F117-Q121 PolarHBondContact O-N 3.47Å; F117-Q121 PolarHBondContact O-NE2 2.93Å; I118-Q121 PolarHBondContact O-N 3.15Å; F119-Q121 PolarHBondContact O-N 2.85Å; Q121-A125 PolarHBondContact O-N 2.9Å; Q121-C150 PolarHBondContact NE2-O 3.16Å; Q121-V152 HydrophobicContact CB-CB 3.8Å; Q121-V152 HydrophobicContact CB-CG2 3.91Å
122L98.5Very high97.3Very high0 Ų019.4 Ų19.40%010%0.098CC..Hα-helixtrans-69-43.8175.9-176.963.8000111.4I118 F119 Y120 R124 A125 V126 I144 L154 L219 I222I118-L122 WeakPolarHBondContact O-CB 2.86Å; I118-L122 PolarHBondContact O-N 3.4Å; F119-L122 HydrophobicContact CD2-CD2 4.32Å; F119-L122 HydrophobicContact CE2-CD2 4.44Å; F119-L122 WeakPolarHBondContact O-CB 3.37Å; F119-L122 PolarHBondContact O-N 3.44Å; Y120-L122 VanDerWaalsContact C-N 3.3Å; Y120-L122 PolarHBondContact O-N 2.92Å; L122-R124 VanDerWaalsContact C-N 3.32Å; L122-R124 PolarHBondContact O-N 2.91Å; L122-A125 WeakPolarHBondContact O-CB 3.48Å; L122-A125 PolarHBondContact O-N 3.17Å; L122-V126 PolarHBondContact O-N 3.13Å; L122-I144 HydrophobicContact CD1-CD1 3.85Å; L122-I144 HydrophobicContact CD1-CG1 3.91Å; L122-I144 HydrophobicContact CD2-CD1 3.54Å; L122-I144 HydrophobicContact CD2-CG1 4.49Å; L122-I144 HydrophobicContact CG-CD1 4.34Å; L122-L154 HydrophobicContact CD1-CD1 4.3Å; L122-L154 HydrophobicContact CD1-CD2 4.47Å; L122-L219 HydrophobicContact CD1-CD2 4.39Å; L122-L219 HydrophobicContact CD2-CD2 3.37Å; L122-L219 HydrophobicContact CG-CD2 3.52Å; L122-I222 HydrophobicContact CD2-CD1 4.45Å; L122-I222 HydrophobicContact CD2-CG2 4.18Å
123L98.7Very high97.3Very high0 Ų017 Ų170%09%0.085CC..Hα-helixtrans-58.4-42.1173.1-74.9167.7000111.8F119 Y120 A125 V126 K127 L219 M299 V310 A313 L314 V319F119-L123 HydrophobicContact CD1-CD1 3.8Å; F119-L123 HydrophobicContact CD1-CG 4.25Å; F119-L123 HydrophobicContact CE1-CD1 3.91Å; F119-L123 HydrophobicContact CE1-CD2 4.42Å; F119-L123 HydrophobicContact CE1-CG 4.19Å; F119-L123 WeakPolarHBondContact O-CG 3.44Å; F119-L123 PolarHBondContact O-N 3.43Å; Y120-L123 PolarHBondContact O-N 2.83Å; L123-A125 PolarHBondContact O-N 2.83Å; L123-V126 PolarHBondContact O-N 3.23Å; L123-K127 PolarHBondContact O-N 2.73Å; L123-L219 HydrophobicContact CD2-CD1 3.78Å; L123-M299 HydrophobicContact CD2-CE 4.14Å; L123-V310 HydrophobicContact CB-CG2 4.37Å; L123-V310 HydrophobicContact CD2-CG2 3.93Å; L123-V310 VanDerWaalsContact O-CG2 3.26Å; L123-V310 WeakPolarHBondContact O-CG2 3.29Å; L123-A313 HydrophobicContact CD1-CB 4.32Å; L123-A313 HydrophobicContact CD2-CB 3.67Å; L123-L314 HydrophobicContact CB-CD1 4.38Å; L123-L314 HydrophobicContact CB-CD2 3.4Å; L123-L314 VanDerWaalsContact CB-CD2 3.4Å; L123-L314 HydrophobicContact CB-CG 3.75Å; L123-L314 HydrophobicContact CD1-CD2 4.06Å; L123-L314 HydrophobicContact CD1-CG 4.35Å; L123-L314 HydrophobicContact CG-CD2 4.34Å; L123-V319 HydrophobicContact CD1-CG1 4.26Å; L123-V319 HydrophobicContact CD1-CG2 4.42Å
124R98.1Very high97.2Very high30 Ų3013.6 Ų13.611%0.1136%0.064CC..Hα-helixtrans-58.1-45.9173.2-73.3174.759.8-148.63.7112.8N73 Y120 L122 V126 K127 Y128 L314 S327 E328N73-R124 PolarHBondContact OD1-NH1 3.16Å; Y120-R124 HydrophobicContact CE2-CG 4.1Å; Y120-R124 VanDerWaalsContact CZ-CD 3.44Å; Y120-R124 WeakPolarHBondContact O-CG 3.32Å; Y120-R124 PolarHBondContact O-N 2.8Å; L122-R124 VanDerWaalsContact C-N 3.32Å; L122-R124 PolarHBondContact O-N 2.91Å; R124-V126 VanDerWaalsContact C-N 3.32Å; R124-V126 PolarHBondContact O-N 2.99Å; R124-K127 PolarHBondContact O-N 2.87Å; R124-Y128 PolarHBondContact O-N 3.16Å; R124-L314 HydrophobicContact CG-CD2 4.38Å; R124-S327 VanDerWaalsContact CZ-OG 3.29Å; R124-S327 PolarHBondContact NE-O 2.69Å; R124-S327 PolarHBondContact NE-OG 3.18Å; R124-S327 PolarHBondContact NH2-O 2.89Å; R124-S327 PolarHBondContact NH2-OG 3.28Å; R124-E328 HydrophobicContact CG-CG 4.15Å
125A98.4Very high97.1Very high0 Ų012.6 Ų12.60%06%0.06CC..Hα-helixtrans-61.2-41.3176.700000112N73 I74 Q121 L122 L123 Y128 I129 L154N73-A125 HydrophobicContact CB-CB 4.09Å; I74-A125 HydrophobicContact CG1-CB 4.19Å; Q121-A125 PolarHBondContact O-N 2.9Å; L122-A125 WeakPolarHBondContact O-CB 3.48Å; L122-A125 PolarHBondContact O-N 3.17Å; L123-A125 PolarHBondContact O-N 2.83Å; A125-Y128 PolarHBondContact O-N 2.94Å; A125-I129 WeakPolarHBondContact O-CD1 3.4Å; A125-I129 VanDerWaalsContact O-CG1 3.29Å; A125-I129 WeakPolarHBondContact O-CG1 3.18Å; A125-I129 PolarHBondContact O-N 3.17Å; A125-I129 VanDerWaalsContact O-N 3.13Å; A125-L154 HydrophobicContact CB-CB 4.34Å; A125-L154 HydrophobicContact CB-CD2 4.01Å
126V98.4Very high97Very high1 Ų111.6 Ų11.61%0.0066%0.055CC..Hα-helixtrans-68.4-41.3176.8175.50000111.7L122 L123 R124 Y128 I129 H130 L139 D215 L219 V310L122-V126 PolarHBondContact O-N 3.13Å; L123-V126 PolarHBondContact O-N 3.23Å; R124-V126 VanDerWaalsContact C-N 3.32Å; R124-V126 PolarHBondContact O-N 2.99Å; V126-Y128 VanDerWaalsContact C-N 3.34Å; V126-Y128 PolarHBondContact O-N 2.74Å; V126-I129 PolarHBondContact O-N 3.17Å; V126-H130 WeakPolarHBondContact CG1-CE1 3.33Å; V126-H130 VanDerWaalsContact O-CB 3.26Å; V126-H130 WeakPolarHBondContact O-CB 3.46Å; V126-H130 PolarHBondContact O-N 2.8Å; V126-L139 HydrophobicContact CG2-CD1 3.77Å; V126-D215 HydrophobicContact CG1-CB 4.42Å; V126-L219 HydrophobicContact CB-CD1 4.35Å; V126-L219 HydrophobicContact CG1-CD1 4.24Å; V126-L219 HydrophobicContact CG2-CD1 4.16Å; V126-L219 HydrophobicContact CG2-CD2 4.18Å; V126-L219 HydrophobicContact CG2-CG 4.49Å; V126-V310 HydrophobicContact CB-CG2 4.11Å; V126-V310 HydrophobicContact CG1-CB 4.32Å; V126-V310 HydrophobicContact CG1-CG2 4.03Å
127K98Very high96.7Very high35 Ų3512.8 Ų12.815%0.1526%0.059CC..Hα-helixtrans-56.7-45.8173.6-175.6-171.6179.1-168.30111.8L123 R124 H130 S131 V310 L314 E328 V330L123-K127 PolarHBondContact O-N 2.73Å; R124-K127 PolarHBondContact O-N 2.87Å; K127-H130 PolarHBondContact O-N 2.9Å; K127-S131 WeakPolarHBondContact O-CB 3.38Å; K127-S131 PolarHBondContact O-N 2.86Å; K127-S131 PolarHBondContact O-OG 2.87Å; K127-V310 HydrophobicContact CB-CG1 3.99Å; K127-V310 HydrophobicContact CB-CG2 4.03Å; K127-V310 HydrophobicContact CG-CG1 4.32Å; K127-L314 HydrophobicContact CB-CD1 3.95Å; K127-L314 HydrophobicContact CD-CD1 3.69Å; K127-L314 HydrophobicContact CG-CD1 4.27Å; K127-E328 HydrophobicContact CD-CB 4.2Å; K127-E328 IonicContact NZ-OE2 3.59Å; K127-E328 PolarHBondContact NZ-OE2 3.17Å; K127-V330 HydrophobicContact CD-CG1 4.35Å; K127-V330 HydrophobicContact CG-CG1 4.29Å
128Y97.9Very high96.5Very high8 Ų810.8 Ų10.83%0.0315%0.051CC..Hα-helixtrans-59.6-48.8176179.1-97.8000111.6F68 H71 I74 R124 A125 V126 S131 G132 I329 L331F68-Y128 HydrophobicContact CB-CE1 4Å; F68-Y128 HydrophobicContact CD1-CD1 4.28Å; F68-Y128 AromaticContact CD1-CE1 3.6Å; F68-Y128 HydrophobicContact CD1-CE1 3.6Å; F68-Y128 HydrophobicContact CE1-CE1 4.42Å; F68-Y128 HydrophobicContact CG-CE1 4.1Å; H71-Y128 HydrophobicContact CB-CD1 3.69Å; H71-Y128 HydrophobicContact CB-CD2 4.21Å; H71-Y128 HydrophobicContact CB-CE1 3.75Å; H71-Y128 HydrophobicContact CB-CE2 4.26Å; H71-Y128 HydrophobicContact CB-CG 3.92Å; H71-Y128 AromaticContact CD2-CD2 3.69Å; H71-Y128 AromaticContact CD2-CG 3.54Å; H71-Y128 AromaticContact CG-CD1 3.96Å; H71-Y128 AromaticContact CG-CG 3.78Å; I74-Y128 HydrophobicContact CD1-CD1 3.69Å; I74-Y128 HydrophobicContact CD1-CE1 4.12Å; R124-Y128 PolarHBondContact O-N 3.16Å; A125-Y128 PolarHBondContact O-N 2.94Å; V126-Y128 VanDerWaalsContact C-N 3.34Å; V126-Y128 PolarHBondContact O-N 2.74Å; Y128-S131 PolarHBondContact O-N 2.8Å; Y128-S131 PolarHBondContact O-OG 3.42Å; Y128-G132 PolarHBondContact O-N 3.34Å; Y128-I329 HydrophobicContact CD2-CB 4.27Å; Y128-I329 HydrophobicContact CD2-CG2 3.94Å; Y128-I329 WeakPolarHBondContact CD2-O 3.48Å; Y128-I329 HydrophobicContact CE2-CG2 3.82Å; Y128-L331 HydrophobicContact CD1-CD1 4.47Å; Y128-L331 HydrophobicContact CD2-CG 4.21Å; Y128-L331 HydrophobicContact CE1-CD1 4.16Å; Y128-L331 HydrophobicContact CE1-CD2 4.44Å; Y128-L331 HydrophobicContact CE1-CG 4.26Å; Y128-L331 HydrophobicContact CE2-CD2 3.92Å; Y128-L331 HydrophobicContact CE2-CG 3.77Å; Y128-L331 WeakPolarHBondContact OH-CD2 3.46Å
129I97.1Very high96.5Very high1 Ų110.8 Ų10.81%0.0055%0.051CC..Hα-helixtrans-61.7-46.7177.9-65.8163000111.2F68 I74 A125 V126 S131 G132 V134 L154 F157F68-I129 HydrophobicContact CD2-CG1 4.46Å; F68-I129 HydrophobicContact CE2-CG1 4.14Å; F68-I129 HydrophobicContact CE2-CG2 4.48Å; F68-I129 HydrophobicContact CZ-CG1 4.27Å; F68-I129 HydrophobicContact CZ-CG2 4.26Å; I74-I129 HydrophobicContact CD1-CD1 3.99Å; I74-I129 HydrophobicContact CD1-CG1 3.86Å; A125-I129 WeakPolarHBondContact O-CD1 3.4Å; A125-I129 VanDerWaalsContact O-CG1 3.29Å; A125-I129 WeakPolarHBondContact O-CG1 3.18Å; A125-I129 PolarHBondContact O-N 3.17Å; A125-I129 VanDerWaalsContact O-N 3.13Å; V126-I129 PolarHBondContact O-N 3.17Å; I129-S131 PolarHBondContact O-N 3.42Å; I129-G132 PolarHBondContact O-N 3.24Å; I129-G132 VanDerWaalsContact O-N 3.16Å; I129-V134 HydrophobicContact CG2-CB 3.83Å; I129-V134 HydrophobicContact CG2-CG1 3.72Å; I129-V134 PolarHBondContact O-N 3.48Å; I129-L154 HydrophobicContact CD1-CD2 3.79Å; I129-F157 HydrophobicContact CD1-CE1 3.8Å; I129-F157 HydrophobicContact CD1-CZ 4.18Å; I129-F157 HydrophobicContact CG1-CE1 4.4Å
130H96.3Very high96.4Very high6 Ų611.9 Ų11.93%0.0286%0.056CC..Hα-helixtrans-67.2-31.7-178.8-77.6-165.9000113.1V126 K127 G132 N133 V134 K212 D215 V310V126-H130 WeakPolarHBondContact CG1-CE1 3.33Å; V126-H130 VanDerWaalsContact O-CB 3.26Å; V126-H130 WeakPolarHBondContact O-CB 3.46Å; V126-H130 PolarHBondContact O-N 2.8Å; K127-H130 PolarHBondContact O-N 2.9Å; H130-G132 VanDerWaalsContact C-N 3.29Å; H130-G132 PolarHBondContact O-N 2.86Å; H130-N133 WeakPolarHBondContact O-CA 3.36Å; H130-N133 PolarHBondContact O-N 3.01Å; H130-V134 PolarHBondContact CD2-O 2.88Å; H130-V134 VanDerWaalsContact CD2-O 3.26Å; H130-K212 HydrophobicContact CB-CD 4.05Å; H130-K212 PolarHBondContact CE1-O 2.84Å; H130-K212 VanDerWaalsContact O-CE 3.25Å; H130-K212 WeakPolarHBondContact O-CE 3.25Å; H130-K212 PolarHBondContact O-NZ 2.62Å; H130-D215 IonicContact CD2-OD2 3.26Å; H130-D215 IonicContact CE1-OD2 2.69Å; H130-D215 IonicContact NE2-OD2 3.31Å; H130-D215 PolarHBondContact NE2-OD2 2.8Å; H130-V310 HydrophobicContact CB-CG1 4.38Å
131S95.7Very high96.3Very high34 Ų3411.6 Ų11.624%0.2386%0.055CC..Hα-helixtrans-65.6-31.9173.369.10000112.5K127 Y128 I129 N133 V330 L331K127-S131 WeakPolarHBondContact O-CB 3.38Å; K127-S131 PolarHBondContact O-N 2.86Å; K127-S131 PolarHBondContact O-OG 2.87Å; Y128-S131 PolarHBondContact O-N 2.8Å; Y128-S131 PolarHBondContact O-OG 3.42Å; I129-S131 PolarHBondContact O-N 3.42Å; S131-N133 PolarHBondContact O-N 3.18Å; S131-V330 WeakPolarHBondContact OG-CA 3Å; S131-L331 PolarHBondContact OG-N 3.15Å
132G94.2Very high96.2Very high0 Ų013.9 Ų13.90%07%0.071CC..THydrogen-bonded Turntrans-73.96.5169.200000114.5Y128 I129 H130 V134 P334 V335Y128-G132 PolarHBondContact O-N 3.34Å; I129-G132 PolarHBondContact O-N 3.24Å; I129-G132 VanDerWaalsContact O-N 3.16Å; H130-G132 VanDerWaalsContact C-N 3.29Å; H130-G132 PolarHBondContact O-N 2.86Å; G132-V134 PolarHBondContact O-N 2.9Å; G132-P334 CarbonylContact O-C 3.48Å; G132-P334 WeakPolarHBondContact O-CA 3.42Å; G132-V335 PolarHBondContact O-N 3.26Å
133N93.7Very high96.1Very high29 Ų2914.3 Ų14.316%0.1557%0.074CC..THydrogen-bonded Turntrans56.333.8-172-153.836.3000114.1H130 S131 L163 T164 K212 P334H130-N133 WeakPolarHBondContact O-CA 3.36Å; H130-N133 PolarHBondContact O-N 3.01Å; S131-N133 PolarHBondContact O-N 3.18Å; N133-L163 WeakPolarHBondContact O-CB 3.41Å; N133-L163 PolarHBondContact O-N 3.16Å; N133-T164 HydrophobicContact CB-CG2 4.39Å; N133-K212 WeakPolarHBondContact OD1-CE 3.39Å; N133-K212 PolarHBondContact OD1-NZ 3.42Å; N133-P334 HydrophobicContact CB-CB 4.2Å
134V93.2Very high96Very high0 Ų014.3 Ų14.30%07%0.074CC..EExtended strand (participates in β ladder)trans-108.9153.8178.3174.80000110F64 F68 I129 H130 G132 T160 R161 V335F64-V134 HydrophobicContact CD1-CG1 4.33Å; F64-V134 HydrophobicContact CE1-CG1 3.89Å; F64-V134 HydrophobicContact CE1-CG2 3.77Å; F64-V134 HydrophobicContact CZ-CG1 4.39Å; F68-V134 HydrophobicContact CE2-CG1 4.35Å; F68-V134 HydrophobicContact CZ-CB 4.11Å; F68-V134 HydrophobicContact CZ-CG1 3.9Å; F68-V134 HydrophobicContact CZ-CG2 4.15Å; I129-V134 HydrophobicContact CG2-CB 3.83Å; I129-V134 HydrophobicContact CG2-CG1 3.72Å; I129-V134 PolarHBondContact O-N 3.48Å; H130-V134 PolarHBondContact CD2-O 2.88Å; H130-V134 VanDerWaalsContact CD2-O 3.26Å; G132-V134 PolarHBondContact O-N 2.9Å; V134-T160 HydrophobicContact CG1-CG2 3.2Å; V134-R161 CarbonylContact C-O 3.57Å; V134-R161 WeakPolarHBondContact CA-O 3.33Å; V134-R161 WeakPolarHBondContact CG1-O 3.16Å; V134-V335 HydrophobicContact CG2-CB 3.68Å; V134-V335 HydrophobicContact CG2-CG1 4.03Å; V134-V335 HydrophobicContact CG2-CG2 4.28Å
135I94.3Very high96Very high2 Ų214.9 Ų14.91%0.018%0.079CC..EExtended strand (participates in β ladder)trans-126.9143.3170.752.2172.4000111.3R137 T160 R161 L163 K212 V214 D215I135-R137 HydrophobicContact CB-CG 4.2Å; I135-R137 HydrophobicContact CD1-CG 3.72Å; I135-R137 HydrophobicContact CG1-CG 3.8Å; I135-T160 CarbonylContact O-C 3.53Å; I135-T160 VanDerWaalsContact O-CA 3.3Å; I135-T160 WeakPolarHBondContact O-CA 3.18Å; I135-T160 WeakPolarHBondContact O-CG2 3.26Å; I135-R161 HydrophobicContact CG1-CB 4.33Å; I135-R161 PolarHBondContact N-O 2.87Å; I135-R161 PolarHBondContact O-N 2.69Å; I135-L163 HydrophobicContact CD1-CD2 3.82Å; I135-L163 HydrophobicContact CD1-CG 4.47Å; I135-L163 HydrophobicContact CG1-CD2 4.2Å; I135-L163 HydrophobicContact CG1-CG 4.36Å; I135-L163 HydrophobicContact CG2-CD1 3.96Å; I135-L163 HydrophobicContact CG2-CG 4.42Å; I135-K212 HydrophobicContact CG2-CB 4.44Å; I135-K212 HydrophobicContact CG2-CG 4.11Å; I135-V214 HydrophobicContact CB-CG2 4.34Å; I135-V214 HydrophobicContact CD1-CG2 4.09Å; I135-D215 VanDerWaalsContact CA-OD2 3.3Å; I135-D215 WeakPolarHBondContact CA-OD2 3.28Å
136H94.2Very high96Very high1 Ų115 Ų151%0.0058%0.079CC..  trans-85.9-38.9-174.2-167.6-50.6000112.6D138 L139 C155 D156 F157 D215H136-D138 PolarHBondContact O-N 3.48Å; H136-L139 HydrophobicContact CB-CD2 3.83Å; H136-L139 HydrophobicContact CB-CG 4.1Å; H136-L139 VanDerWaalsContact CD2-CD2 3.44Å; H136-L139 WeakPolarHBondContact CD2-CD2 3.46Å; H136-C155 PolarHBondContact NE2-O 2.95Å; H136-D156 PolarHBondContact CE1-O 2.71Å; H136-F157 AromaticContact CD2-CE1 3.92Å; H136-D215 PolarHBondContact N-OD1 2.91Å; H136-D215 PolarHBondContact N-OD2 2.87Å
137R93Very high95.8Very high53 Ų5316.5 Ų16.520%0.29%0.087CC..SBendtrans61.16.3175.6-45.8-166.4-58156.74.7116.9I135 L159 V214 D215I135-R137 HydrophobicContact CB-CG 4.2Å; I135-R137 HydrophobicContact CD1-CG 3.72Å; I135-R137 HydrophobicContact CG1-CG 3.8Å; R137-L159 VanDerWaalsContact CZ-O 3.32Å; R137-L159 PolarHBondContact NE-O 3.45Å; R137-L159 PolarHBondContact NH2-O 3.21Å; R137-V214 HydrophobicContact CG-CG2 4.23Å; R137-D215 PolarHBondContact N-OD1 3.06Å
138D93.4Very high95.5Very high16 Ų1616.6 Ų16.69%0.0869%0.092CC..  trans-150.340.4-179.5-16739.8000111.2H136 K140 N143 L159H136-D138 PolarHBondContact O-N 3.48Å; D138-K140 PolarHBondContact O-N 3.01Å; D138-K140 IonicContact OD1-NZ 2.95Å; D138-K140 PolarHBondContact OD1-NZ 3.18Å; D138-K140 IonicContact OD2-NZ 3.72Å; D138-K140 PolarHBondContact OD2-NZ 2.74Å; D138-N143 PolarHBondContact O-ND2 3.11Å; D138-N143 PolarHBondContact OD2-ND2 2.75Å; D138-L159 HydrophobicContact CB-CB 4.26Å; D138-L159 HydrophobicContact CB-CD1 3.93Å
139L97.5Very high95.3Very high0 Ų020.8 Ų20.80%012%0.115CC..  trans-71.2121.9169.4-59.1-179.1000108.6V126 H136 L154 Y198 D215 L219 I222V126-L139 HydrophobicContact CG2-CD1 3.77Å; H136-L139 HydrophobicContact CB-CD2 3.83Å; H136-L139 HydrophobicContact CB-CG 4.1Å; H136-L139 VanDerWaalsContact CD2-CD2 3.44Å; H136-L139 WeakPolarHBondContact CD2-CD2 3.46Å; L139-L154 HydrophobicContact CD2-CD1 3.61Å; L139-L154 HydrophobicContact CD2-CD2 3.82Å; L139-L154 HydrophobicContact CD2-CG 4.31Å; L139-Y198 WeakPolarHBondContact O-CB 3.36Å; L139-D215 HydrophobicContact CD1-CB 3.72Å; L139-L219 HydrophobicContact CD1-CD2 3.96Å; L139-L219 HydrophobicContact CD1-CG 4.01Å; L139-I222 HydrophobicContact CB-CD1 3.95Å
140K96.7Very high95.2Very high23 Ų2321.4 Ų21.410%0.112%0.12CC..  trans-157.4158177.758.2-172.9179.8-1330110.1D138 S142 N143 Y198D138-K140 PolarHBondContact O-N 3.01Å; D138-K140 IonicContact OD1-NZ 2.95Å; D138-K140 PolarHBondContact OD1-NZ 3.18Å; D138-K140 IonicContact OD2-NZ 3.72Å; D138-K140 PolarHBondContact OD2-NZ 2.74Å; K140-S142 VanDerWaalsContact CE-OG 3.26Å; K140-S142 WeakPolarHBondContact CE-OG 3.14Å; K140-S142 WeakPolarHBondContact CG-OG 3.45Å; K140-S142 PolarHBondContact O-N 3.24Å; K140-S142 VanDerWaalsContact O-N 3.08Å; K140-N143 WeakPolarHBondContact CE-ND2 3.24Å; K140-N143 WeakPolarHBondContact CE-OD1 3.31Å; K140-N143 HydrophobicContact CG-CB 4.13Å; K140-N143 PolarHBondContact O-N 3.27Å; K140-Y198 HydrophobicContact CB-CD1 4.45Å; K140-Y198 HydrophobicContact CB-CD2 3.37Å; K140-Y198 HydrophobicContact CB-CE2 3.65Å; K140-Y198 HydrophobicContact CB-CG 3.82Å
141P97.3Very high95.3Very high1 Ų124.8 Ų24.81%0.00614%0.137CC..G310 helixtrans-61.7-20.3-174.7-25.436.2000115.3L100 N101 N143 Y198 I222L100-P141 HydrophobicContact CB-CB 4.06Å; L100-P141 WeakPolarHBondContact CB-O 3.39Å; L100-P141 HydrophobicContact CD2-CB 4.24Å; L100-P141 HydrophobicContact CG-CB 4.07Å; L100-P141 PolarHBondContact N-O 3.17Å; L100-P141 VanDerWaalsContact N-O 3.14Å; N101-P141 HydrophobicContact CB-CB 3.78Å; N101-P141 PolarHBondContact N-O 2.89Å; P141-N143 VanDerWaalsContact C-N 3.29Å; P141-Y198 HydrophobicContact CG-CE1 3.96Å; P141-I222 HydrophobicContact CG-CG1 4.13Å
142S94.8Very high95.4Very high52 Ų5223.2 Ų23.236%0.36413%0.126SC..G310 helixtrans-73.3-20.317264.60000113.9K140K140-S142 VanDerWaalsContact CE-OG 3.26Å; K140-S142 WeakPolarHBondContact CE-OG 3.14Å; K140-S142 WeakPolarHBondContact CG-OG 3.45Å; K140-S142 PolarHBondContact O-N 3.24Å; K140-S142 VanDerWaalsContact O-N 3.08Å
143N96.6Very high95.6Very high9 Ų924.7 Ų24.75%0.04813%0.133CC..G310 helixtrans-97.54.2-176.6-67.812.3000111.9D138 K140 P141 C155D138-N143 PolarHBondContact O-ND2 3.11Å; D138-N143 PolarHBondContact OD2-ND2 2.75Å; K140-N143 WeakPolarHBondContact CE-ND2 3.24Å; K140-N143 WeakPolarHBondContact CE-OD1 3.31Å; K140-N143 HydrophobicContact CG-CB 4.13Å; K140-N143 PolarHBondContact O-N 3.27Å; P141-N143 VanDerWaalsContact C-N 3.29Å; N143-C155 PolarHBondContact O-N 3.08Å; N143-C155 PolarHBondContact O-SG 3.26Å; N143-C155 VanDerWaalsContact O-SG 3.32Å
144I98.3Very high95.9Very high0 Ų023.3 Ų23.30%013%0.126CC..EExtended strand (participates in β ladder)trans-111.498.2179.4-63.9166.6000106.8D99 L100 L122 V152 L154 I222D99-I144 CarbonylContact C-O 3.59Å; D99-I144 VanDerWaalsContact CA-O 3.27Å; D99-I144 WeakPolarHBondContact CA-O 3.41Å; L100-I144 HydrophobicContact CB-CB 3.93Å; L100-I144 HydrophobicContact CB-CG2 3.93Å; L100-I144 HydrophobicContact CD2-CB 4.37Å; L100-I144 HydrophobicContact CD2-CD1 3.89Å; L100-I144 HydrophobicContact CD2-CG2 4.13Å; L100-I144 PolarHBondContact N-O 3.17Å; L122-I144 HydrophobicContact CD1-CD1 3.85Å; L122-I144 HydrophobicContact CD1-CG1 3.91Å; L122-I144 HydrophobicContact CD2-CD1 3.54Å; L122-I144 HydrophobicContact CD2-CG1 4.49Å; L122-I144 HydrophobicContact CG-CD1 4.34Å; I144-V152 HydrophobicContact CG2-CG1 4.02Å; I144-V152 HydrophobicContact CG2-CG2 4.35Å; I144-L154 HydrophobicContact CG1-CD1 4.37Å; I144-I222 HydrophobicContact CD1-CD1 3.89Å; I144-I222 HydrophobicContact CD1-CG1 4.48Å; I144-I222 HydrophobicContact CD1-CG2 3.96Å
145L98.1Very high96Very high41 Ų4124.3 Ų24.322%0.21513%0.132CC..EExtended strand (participates in β ladder)trans-87.6145.1-176.7-52.5177000110.9I75 M96 T98 D99 V152 K153 C155I75-L145 HydrophobicContact CD1-CD1 4.08Å; I75-L145 HydrophobicContact CG1-CD1 4.37Å; M96-L145 HydrophobicContact CB-CB 3.67Å; M96-L145 HydrophobicContact CB-CD1 4.33Å; M96-L145 HydrophobicContact CG-CB 3.75Å; M96-L145 HydrophobicContact CG-CD1 4.22Å; T98-L145 WeakPolarHBondContact O-CA 3.45Å; D99-L145 HydrophobicContact CB-CD2 4.06Å; L145-V152 CarbonylContact O-C 3.59Å; L145-V152 WeakPolarHBondContact O-CA 3.3Å; L145-K153 HydrophobicContact CB-CB 4.25Å; L145-K153 WeakPolarHBondContact CB-O 3.33Å; L145-K153 PolarHBondContact N-O 3.41Å; L145-K153 PolarHBondContact O-N 2.97Å; L145-C155 HydrophobicContact CD1-CB 4.06Å; L145-C155 HydrophobicContact CG-CB 4.46Å
146L97.5Very high95.9Very high3 Ų326.7 Ų26.72%0.01615%0.145CC..EExtended strand (participates in β ladder)trans-134.5153.4-172.3-65.3171.2000111.9E97 T98 L100 C103 I118 V152E97-L146 PolarHBondContact N-O 2.97Å; T98-L146 HydrophobicContact CG2-CB 4.11Å; T98-L146 PolarHBondContact N-O 3.36Å; T98-L146 PolarHBondContact O-N 2.9Å; L100-L146 HydrophobicContact CB-CD1 4.16Å; L100-L146 HydrophobicContact CD1-CD1 4.12Å; C103-L146 HydrophobicContact CB-CD1 4.38Å; I118-L146 HydrophobicContact CD1-CD1 4.02Å; I118-L146 HydrophobicContact CD1-CD2 4.07Å; I118-L146 HydrophobicContact CG1-CD2 4.02Å; L146-V152 HydrophobicContact CD2-CG2 3.75Å
147N94.8Very high95.8Very high33 Ų3326.7 Ų26.718%0.17615%0.145CC..  trans-116179.3166.878.4-31000111.2M96 E97 D149 C150 L151M96-N147 HydrophobicContact CE-CB 4.13Å; E97-N147 HydrophobicContact CG-CB 4.09Å; N147-D149 PolarHBondContact ND2-OD2 3.26Å; N147-D149 PolarHBondContact O-N 3.44Å; N147-D149 VanDerWaalsContact O-N 3.12Å; N147-D149 PolarHBondContact OD1-N 2.86Å; N147-C150 PolarHBondContact O-N 2.71Å; N147-C150 PolarHBondContact OD1-N 2.77Å; N147-L151 WeakPolarHBondContact OD1-CB 3.43Å; N147-L151 PolarHBondContact OD1-N 3.37Å
148S91.6Very high95.5Very high37 Ų3724.4 Ų24.426%0.25914%0.138SC..THydrogen-bonded Turntrans-38.2-45.116952.80000114.3E97 C150E97-S148 PolarHBondContact OE2-N 2.9Å; S148-C150 PolarHBondContact O-N 2.83Å
149D94Very high95.2Very high95 Ų9526.3 Ų26.351%0.50815%0.148SC..THydrogen-bonded Turntrans-8711.4-170.8-31.8-41.6000112.5N147 L151N147-D149 PolarHBondContact ND2-OD2 3.26Å; N147-D149 PolarHBondContact O-N 3.44Å; N147-D149 VanDerWaalsContact O-N 3.12Å; N147-D149 PolarHBondContact OD1-N 2.86Å; D149-L151 HydrophobicContact CB-CD1 4.47Å; D149-L151 HydrophobicContact CB-CG 4.23Å; D149-L151 PolarHBondContact O-N 2.95Å
150C95.2Very high94.9Very high15 Ų1526.3 Ų26.310%0.10115%0.148CC..  trans56.725.7-175-62.20000114.5F117 I118 Q121 N147 S148 V152F117-C150 HydrophobicContact CD1-CB 4.12Å; F117-C150 HydrophobicContact CE1-CB 4.42Å; I118-C150 HydrophobicContact CD1-CB 4.36Å; I118-C150 HydrophobicContact CG1-CB 4.22Å; Q121-C150 PolarHBondContact NE2-O 3.16Å; N147-C150 PolarHBondContact O-N 2.71Å; N147-C150 PolarHBondContact OD1-N 2.77Å; S148-C150 PolarHBondContact O-N 2.83Å; C150-V152 PolarHBondContact O-N 2.88Å
151L97.6Very high94.6Very high76 Ų7627.5 Ų27.540%0.39815%0.152SC..  trans-74.3125.7174.5-63.4174.4000110.7M96 F117 N147 D149M96-L151 WeakPolarHBondContact CE-O 3.29Å; F117-L151 HydrophobicContact CE1-CD2 4.32Å; F117-L151 HydrophobicContact CZ-CD2 4.08Å; N147-L151 WeakPolarHBondContact OD1-CB 3.43Å; N147-L151 PolarHBondContact OD1-N 3.37Å; D149-L151 HydrophobicContact CB-CD1 4.47Å; D149-L151 HydrophobicContact CB-CG 4.23Å; D149-L151 PolarHBondContact O-N 2.95Å
152V98.4Very high94.1Very high1 Ų127.8 Ų27.81%0.00615%0.153CC..  trans-84.5135.7-176.6168.70000111.6N73 I118 Q121 I144 L145 L146 C150N73-V152 VanDerWaalsContact CA-O 3.25Å; N73-V152 WeakPolarHBondContact CA-O 3.35Å; N73-V152 WeakPolarHBondContact CB-O 3.17Å; N73-V152 PolarHBondContact ND2-O 2.87Å; I118-V152 HydrophobicContact CB-CG2 4.25Å; I118-V152 HydrophobicContact CG1-CG2 4.31Å; I118-V152 HydrophobicContact CG2-CG2 3.88Å; Q121-V152 HydrophobicContact CB-CB 3.8Å; Q121-V152 HydrophobicContact CB-CG2 3.91Å; I144-V152 HydrophobicContact CG2-CG1 4.02Å; I144-V152 HydrophobicContact CG2-CG2 4.35Å; L145-V152 CarbonylContact O-C 3.59Å; L145-V152 WeakPolarHBondContact O-CA 3.3Å; L146-V152 HydrophobicContact CD2-CG2 3.75Å; C150-V152 PolarHBondContact O-N 2.88Å
153K98.3Very high93.7Very high32 Ų3226.2 Ų26.214%0.13914%0.141CC..EExtended strand (participates in β ladder)trans-126.9111.5161.9-65.2-69.5-175.5159.10110.3P72 I74 I75 E94 M96 L145P72-K153 WeakPolarHBondContact O-CD 3.38Å; P72-K153 WeakPolarHBondContact O-CE 3.36Å; P72-K153 PolarHBondContact O-NZ 2.79Å; I74-K153 WeakPolarHBondContact O-CD 3.21Å; I75-K153 HydrophobicContact CB-CB 4.27Å; I75-K153 HydrophobicContact CD1-CB 3.81Å; I75-K153 HydrophobicContact CD1-CG 4.06Å; E94-K153 WeakPolarHBondContact OE1-CE 3.08Å; E94-K153 IonicContact OE1-NZ 2.76Å; E94-K153 PolarHBondContact OE1-NZ 3.38Å; E94-K153 IonicContact OE2-NZ 2.66Å; M96-K153 HydrophobicContact CE-CB 4.12Å; M96-K153 HydrophobicContact CE-CG 3.58Å; M96-K153 HydrophobicContact CG-CB 4.1Å; M96-K153 HydrophobicContact CG-CG 3.97Å; M96-K153 HydrophobicContact SD-CB 4.25Å; M96-K153 HydrophobicContact SD-CG 3.5Å; M96-K153 WeakPolarHBondContact SD-CG 3.45Å; L145-K153 HydrophobicContact CB-CB 4.25Å; L145-K153 WeakPolarHBondContact CB-O 3.33Å; L145-K153 PolarHBondContact N-O 3.41Å; L145-K153 PolarHBondContact O-N 2.97Å
154L98.4Very high92.6Very high0 Ų026.9 Ų26.90%015%0.145CC..EExtended strand (participates in β ladder)trans-74.7135.3173.2-177.857.3000110.9N73 I75 L122 A125 I129 L139 I144 F157N73-L154 PolarHBondContact O-N 2.67Å; I75-L154 WeakPolarHBondContact CG2-O 3.43Å; I75-L154 PolarHBondContact N-O 2.83Å; L122-L154 HydrophobicContact CD1-CD1 4.3Å; L122-L154 HydrophobicContact CD1-CD2 4.47Å; A125-L154 HydrophobicContact CB-CB 4.34Å; A125-L154 HydrophobicContact CB-CD2 4.01Å; I129-L154 HydrophobicContact CD1-CD2 3.79Å; L139-L154 HydrophobicContact CD2-CD1 3.61Å; L139-L154 HydrophobicContact CD2-CD2 3.82Å; L139-L154 HydrophobicContact CD2-CG 4.31Å; I144-L154 HydrophobicContact CG1-CD1 4.37Å; L154-F157 HydrophobicContact CG-CZ 4.49Å
155C95.9Very high90.7Very high20 Ų2028 Ų2814%0.13515%0.152CC..  trans-139.1175.8-176.973.10000114.1I75 H136 N143 L145I75-C155 HydrophobicContact CB-CB 4.07Å; I75-C155 HydrophobicContact CG2-CB 3.52Å; H136-C155 PolarHBondContact NE2-O 2.95Å; N143-C155 PolarHBondContact O-N 3.08Å; N143-C155 PolarHBondContact O-SG 3.26Å; N143-C155 VanDerWaalsContact O-SG 3.32Å; L145-C155 HydrophobicContact CD1-CB 4.06Å; L145-C155 HydrophobicContact CG-CB 4.46Å
156D92.1Very high88.7Confident53 Ų5329.2 Ų29.228%0.28316%0.161SC..  trans68.276-179.3-160.7-4.3000115.2H136 G158H136-D156 PolarHBondContact CE1-O 2.71Å; D156-G158 VanDerWaalsContact C-N 3.31Å; D156-G158 PolarHBondContact O-N 2.68Å; D156-G158 PolarHBondContact OD1-N 3.31Å
157F93.1Very high86.4Confident0 Ų033.2 Ų33.20%018%0.181CC..  trans-88.813.7179.8-68.5-93.5000113.6E61 F64 L65 F68 I74 I129 H136 L154 L159 T160E61-F157 HydrophobicContact CG-CB 4.46Å; F64-F157 HydrophobicContact CB-CB 4.03Å; F64-F157 HydrophobicContact CB-CD1 4.26Å; F64-F157 HydrophobicContact CB-CG 4.34Å; L65-F157 HydrophobicContact CD2-CD2 3.55Å; L65-F157 HydrophobicContact CD2-CE2 3.84Å; L65-F157 HydrophobicContact CG-CD2 3.95Å; F68-F157 AromaticContact CD2-CD1 3.87Å; F68-F157 HydrophobicContact CD2-CD1 3.87Å; F68-F157 AromaticContact CD2-CE1 3.52Å; F68-F157 HydrophobicContact CD2-CE1 3.52Å; F68-F157 HydrophobicContact CD2-CZ 4.12Å; F68-F157 AromaticContact CE2-CD1 3.83Å; F68-F157 HydrophobicContact CE2-CD1 3.83Å; F68-F157 AromaticContact CE2-CE1 3.68Å; F68-F157 HydrophobicContact CE2-CE1 3.68Å; I74-F157 HydrophobicContact CD1-CZ 4.35Å; I74-F157 HydrophobicContact CG1-CZ 4.42Å; I74-F157 HydrophobicContact CG2-CE2 3.78Å; I74-F157 HydrophobicContact CG2-CZ 3.67Å; I129-F157 HydrophobicContact CD1-CE1 3.8Å; I129-F157 HydrophobicContact CD1-CZ 4.18Å; I129-F157 HydrophobicContact CG1-CE1 4.4Å; H136-F157 AromaticContact CD2-CE1 3.92Å; L154-F157 HydrophobicContact CG-CZ 4.49Å; F157-L159 VanDerWaalsContact C-N 3.26Å; F157-L159 PolarHBondContact O-N 3.42Å; F157-T160 VanDerWaalsContact C-OG1 3.24Å; F157-T160 WeakPolarHBondContact CA-OG1 3.05Å; F157-T160 WeakPolarHBondContact CB-OG1 3.38Å; F157-T160 HydrophobicContact CD1-CG2 4.35Å; F157-T160 WeakPolarHBondContact CD1-OG1 3.5Å; F157-T160 VanDerWaalsContact O-CB 3.29Å; F157-T160 WeakPolarHBondContact O-CB 3.39Å; F157-T160 PolarHBondContact O-N 3.39Å; F157-T160 PolarHBondContact O-OG1 3.31Å
158G86.5Confident84.1Confident5 Ų538 Ų385%0.05220%0.203CC..THydrogen-bonded Turntrans-65.8-22.8-176.300000115R60 D156R60-G158 WeakPolarHBondContact CD-O 3.38Å; D156-G158 VanDerWaalsContact C-N 3.31Å; D156-G158 PolarHBondContact O-N 2.68Å; D156-G158 PolarHBondContact OD1-N 3.31Å
159L87.3Confident81.7Confident56 Ų5641.6 Ų41.629%0.29322%0.219SC..THydrogen-bonded Turntrans-104.9-3.6-179.9-65.4179.8000114.8R137 D138 F157 R161R137-L159 VanDerWaalsContact CZ-O 3.32Å; R137-L159 PolarHBondContact NE-O 3.45Å; R137-L159 PolarHBondContact NH2-O 3.21Å; D138-L159 HydrophobicContact CB-CB 4.26Å; D138-L159 HydrophobicContact CB-CD1 3.93Å; F157-L159 VanDerWaalsContact C-N 3.26Å; F157-L159 PolarHBondContact O-N 3.42Å; L159-R161 PolarHBondContact O-NH1 3.07Å
160T90.9Very high79.4Confident0 Ų044.2 Ų44.20%022%0.222CC..  trans-50.4154.5177-500000113R60 F64 V134 I135 F157R60-T160 VanDerWaalsContact CD-O 3.29Å; R60-T160 WeakPolarHBondContact CD-O 3.44Å; F64-T160 HydrophobicContact CD1-CG2 3.95Å; F64-T160 HydrophobicContact CD2-CG2 3.65Å; F64-T160 HydrophobicContact CE1-CG2 3.97Å; F64-T160 HydrophobicContact CE2-CG2 3.67Å; F64-T160 HydrophobicContact CG-CG2 3.81Å; F64-T160 HydrophobicContact CZ-CG2 3.84Å; V134-T160 HydrophobicContact CG1-CG2 3.2Å; I135-T160 CarbonylContact O-C 3.53Å; I135-T160 VanDerWaalsContact O-CA 3.3Å; I135-T160 WeakPolarHBondContact O-CA 3.18Å; I135-T160 WeakPolarHBondContact O-CG2 3.26Å; F157-T160 VanDerWaalsContact C-OG1 3.24Å; F157-T160 WeakPolarHBondContact CA-OG1 3.05Å; F157-T160 WeakPolarHBondContact CB-OG1 3.38Å; F157-T160 HydrophobicContact CD1-CG2 4.35Å; F157-T160 WeakPolarHBondContact CD1-OG1 3.5Å; F157-T160 VanDerWaalsContact O-CB 3.29Å; F157-T160 WeakPolarHBondContact O-CB 3.39Å; F157-T160 PolarHBondContact O-N 3.39Å; F157-T160 PolarHBondContact O-OG1 3.31Å
161R89.5Confident76.6Confident49 Ų4949.4 Ų49.419%0.18525%0.253CS..EExtended strand (participates in β ladder)trans-146.4143.1168.9-73.5-60.1-175.1-76.94.5111.9R60 V134 I135 L159 D341R60-R161 VanDerWaalsContact NH2-CZ 3.3Å; V134-R161 CarbonylContact C-O 3.57Å; V134-R161 WeakPolarHBondContact CA-O 3.33Å; V134-R161 WeakPolarHBondContact CG1-O 3.16Å; I135-R161 HydrophobicContact CG1-CB 4.33Å; I135-R161 PolarHBondContact N-O 2.87Å; I135-R161 PolarHBondContact O-N 2.69Å; L159-R161 PolarHBondContact O-NH1 3.07Å; R161-D341 WeakPolarHBondContact CD-OD2 3.49Å
162S87.1Confident73.5Confident6 Ų651.6 Ų51.64%0.04227%0.27CS..EExtended strand (participates in β ladder)trans-78140.1160.9-167.80000110.1T164 V335S162-T164 VanDerWaalsContact C-N 3.33Å; S162-T164 PolarHBondContact OG-N 3.42Å; S162-T164 PolarHBondContact OG-OG1 3.3Å; S162-V335 WeakPolarHBondContact CB-O 3.38Å; S162-V335 PolarHBondContact OG-O 3.32Å
163L85.8Confident70.3Confident19 Ų1953.8 Ų53.810%0.09929%0.285CS..SBendtrans-88.80.2175.1-64.2173.6000112.6N133 I135 T166 K212N133-L163 WeakPolarHBondContact O-CB 3.41Å; N133-L163 PolarHBondContact O-N 3.16Å; I135-L163 HydrophobicContact CD1-CD2 3.82Å; I135-L163 HydrophobicContact CD1-CG 4.47Å; I135-L163 HydrophobicContact CG1-CD2 4.2Å; I135-L163 HydrophobicContact CG1-CG 4.36Å; I135-L163 HydrophobicContact CG2-CD1 3.96Å; I135-L163 HydrophobicContact CG2-CG 4.42Å; L163-T166 PolarHBondContact O-N 3.41Å; L163-K212 HydrophobicContact CD1-CG 3.97Å
164T74.5Confident67.2Low24 Ų2461 Ų6115%0.14732%0.322CS..SBendtrans-68.3-49.6-179.450.60000112.2N133 S162 T166 L167 P334N133-T164 HydrophobicContact CB-CG2 4.39Å; S162-T164 VanDerWaalsContact C-N 3.33Å; S162-T164 PolarHBondContact OG-N 3.42Å; S162-T164 PolarHBondContact OG-OG1 3.3Å; T164-T166 PolarHBondContact O-N 2.79Å; T164-T166 VanDerWaalsContact O-N 3.07Å; T164-L167 WeakPolarHBondContact O-CB 3.34Å; T164-L167 PolarHBondContact O-N 3.13Å; T164-P334 HydrophobicContact CG2-CB 3.49Å; T164-P334 VanDerWaalsContact CG2-CB 3.49Å; T164-P334 HydrophobicContact CG2-CG 4.47Å
165N59.2Low64.1Low24 Ų2469.6 Ų69.613%0.12836%0.362CS..Hα-helixtrans-55.6-28.8175.9-51.752000111.8L167 D342N165-L167 VanDerWaalsContact C-N 3.3Å; N165-L167 PolarHBondContact O-N 2.77Å; N165-D342 PolarHBondContact ND2-OD1 3.44Å
166T54.6Low60.9Low66 Ų6672.7 Ų72.741%0.40538%0.384SS..Hα-helixtrans-80.7-0.4177-32.30000113.7L163 T164 R170L163-T166 PolarHBondContact O-N 3.41Å; T164-T166 PolarHBondContact O-N 2.79Å; T164-T166 VanDerWaalsContact O-N 3.07Å; T166-R170 VanDerWaalsContact O-CZ 3.26Å; T166-R170 PolarHBondContact O-NE 3.05Å; T166-R170 PolarHBondContact O-NH2 3.2Å
167L50.5Low57.9Low86 Ų8678.5 Ų78.545%0.4541%0.407SS..Hα-helixtrans-102.2-34.9175-77.7157.8000112.1T164 N165 R170 T171T164-L167 WeakPolarHBondContact O-CB 3.34Å; T164-L167 PolarHBondContact O-N 3.13Å; N165-L167 VanDerWaalsContact C-N 3.3Å; N165-L167 PolarHBondContact O-N 2.77Å; L167-R170 WeakPolarHBondContact O-CB 3.42Å; L167-R170 PolarHBondContact O-N 3.4Å; L167-T171 PolarHBondContact O-OG1 3.27Å
168E46.1Very low54.9Low135 Ų13585.9 Ų85.963%0.63145%0.445SS*.Hα-helixtrans-63.1-47.8174.8-64.9176.1167.800110R170 T171E168-R170 PolarHBondContact O-N 3.48Å; E168-T171 PolarHBondContact O-N 3.37Å; E168-T171 VanDerWaalsContact O-N 3.09Å; E168-T171 PolarHBondContact O-OG1 3.25Å
169N41.3Very low52Low112 Ų11293.3 Ų93.360%0.59948%0.483SS*.THydrogen-bonded Turntrans-62.20.8171.6-66.117.5000115
170R44.2Very low49.2Very low150 Ų15094 Ų9457%0.56650%0.503SS*.THydrogen-bonded Turntrans-110.60.2176.3-93.6-174.2-71.8168-3.6114.2T166 L167 E168T166-R170 VanDerWaalsContact O-CZ 3.26Å; T166-R170 PolarHBondContact O-NE 3.05Å; T166-R170 PolarHBondContact O-NH2 3.2Å; L167-R170 WeakPolarHBondContact O-CB 3.42Å; L167-R170 PolarHBondContact O-N 3.4Å; E168-R170 PolarHBondContact O-N 3.48Å
171T37.6Very low46.3Very low124 Ų124102.6 Ų102.676%0.76155%0.549SS*.THydrogen-bonded Turntrans-118.4-8.1-178.136.40000114.9L167 E168L167-T171 PolarHBondContact O-OG1 3.27Å; E168-T171 PolarHBondContact O-N 3.37Å; E168-T171 VanDerWaalsContact O-N 3.09Å; E168-T171 PolarHBondContact O-OG1 3.25Å
172T32.1Very low43.6Very low122 Ų122107 Ų10775%0.74858%0.577SS**SBendtrans-115.8-8.8-177.747.50000115.2
173S30.8Very low41Very low46 Ų46114.2 Ų114.232%0.32262%0.615SS.*  trans-154.396.9-179.153.40000114.2E175 S176S173-E175 PolarHBondContact O-N 2.94Å; S173-S176 WeakPolarHBondContact CB-OG 3.26Å; S173-S176 WeakPolarHBondContact OG-CB 3.25Å; S173-S176 PolarHBondContact OG-OG 2.93Å
174M34.3Very low38.6Very low185 Ų185120.3 Ų120.391%0.91164%0.637SS**SBendtrans-69.5-15.6157.1-16482.395.500111.1
175E32.3Very low36.7Very low179 Ų179124.5 Ų124.584%0.83666%0.655SS**  trans-110.45.6-168.6-60.3178144.500113.6S173 F177S173-E175 PolarHBondContact O-N 2.94Å; E175-F177 PolarHBondContact O-N 3.22Å
176S29.5Very low35.8Very low85 Ų85127.6 Ų127.659%0.59467%0.672SS**  trans-82.357.1175.663.30000112.2S173S173-S176 WeakPolarHBondContact CB-OG 3.26Å; S173-S176 WeakPolarHBondContact OG-CB 3.25Å; S173-S176 PolarHBondContact OG-OG 2.93Å
177F28.5Very low34.9Very low176 Ų176128.9 Ų128.977%0.77268%0.681SS**  trans-109.6155.6153.5-68.8-88.1000107.1E175E175-F177 PolarHBondContact O-N 3.22Å
178I30.2Very low34Very low155 Ų155127.6 Ų127.680%0.79568%0.677SS**SBendtrans85130.6-177.3-51.7169.6000113.8
179D26.1Very low33.5Very low161 Ų161125.6 Ų125.686%0.86167%0.67SS**  trans49.594.1163.8-56.3-9.6000120.3
180G28.8Very low33.2Very low69 Ų69123.9 Ų123.971%0.71166%0.664SS**  trans-150.9106.2159.200000110.3D182G180-D182 PolarHBondContact O-N 3.44Å
181D28.3Very low33Very low181 Ų181123.2 Ų123.297%0.96867%0.667SS**  trans-77.936.9-172.6-155.529.9000113.1
182D33.8Very low33.1Very low142 Ų142123.7 Ų123.776%0.75966%0.656SS**  trans-86.5133.3176.5-106.2-27.4000109.5G180 Y184G180-D182 PolarHBondContact O-N 3.44Å; D182-Y184 PolarHBondContact O-N 2.91Å
183D31.6Very low33.5Very low158 Ų158124.8 Ų124.885%0.84566%0.662SS**  trans-73.748.8-175.4-1543.5000112.3E185D183-E185 PolarHBondContact O-N 2.7Å
184Y36.6Very low34.6Very low147 Ų147124.8 Ų124.858%0.57667%0.665SS**  trans-81.564.6-175-145.4-77.3000110.2D182 N186 D342D182-Y184 PolarHBondContact O-N 2.91Å; Y184-N186 PolarHBondContact O-N 3.15Å; Y184-D342 WeakPolarHBondContact CE2-O 3.4Å; Y184-D342 PolarHBondContact OH-O 3Å
185E33.4Very low36.5Very low112 Ų112118.8 Ų118.852%0.52364%0.639SS.*  trans-44107.8158.9-86-151.8154.900108.4D183 P187 V188D183-E185 PolarHBondContact O-N 2.7Å; E185-P187 VanDerWaalsContact C-N 3.35Å; E185-P187 WeakPolarHBondContact O-CA 3.19Å; E185-P187 WeakPolarHBondContact O-CD 3.38Å; E185-V188 HydrophobicContact CB-CG2 3.8Å; E185-V188 HydrophobicContact CG-CB 4.36Å; E185-V188 HydrophobicContact CG-CG2 3.53Å; E185-V188 WeakPolarHBondContact OE1-CG2 3.49Å
186N40.3Very low39.3Very low89 Ų89111.7 Ų111.748%0.47660%0.604SS.*  trans-66.295.7170.117811.5000106.6Y184 V188Y184-N186 PolarHBondContact O-N 3.15Å; N186-V188 VanDerWaalsContact O-CA 3.26Å; N186-V188 WeakPolarHBondContact O-CA 3.49Å; N186-V188 PolarHBondContact O-N 3.21Å; N186-V188 VanDerWaalsContact O-N 3.08Å
187P35.5Very low42.4Very low92 Ų92111.7 Ų111.760%0.59759%0.591SS**SBend-50.3106.3-123.14.4-24.5000110.9E185E185-P187 VanDerWaalsContact C-N 3.35Å; E185-P187 WeakPolarHBondContact O-CA 3.19Å; E185-P187 WeakPolarHBondContact O-CD 3.38Å
188V31.9Very low45.7Very low59 Ų59104.2 Ų104.236%0.35856%0.558SS.*  trans-53.1145.6-142.9160.50000111.7E185 N186 T190E185-V188 HydrophobicContact CB-CG2 3.8Å; E185-V188 HydrophobicContact CG-CB 4.36Å; E185-V188 HydrophobicContact CG-CG2 3.53Å; E185-V188 WeakPolarHBondContact OE1-CG2 3.49Å; N186-V188 VanDerWaalsContact O-CA 3.26Å; N186-V188 WeakPolarHBondContact O-CA 3.49Å; N186-V188 PolarHBondContact O-N 3.21Å; N186-V188 VanDerWaalsContact O-N 3.08Å; V188-T190 HydrophobicContact CG1-CG2 4.07Å; V188-T190 PolarHBondContact O-N 2.89Å; V188-T190 PolarHBondContact O-OG1 2.91Å
189L35.8Very low48.7Very low93 Ų93100.3 Ų100.349%0.48753%0.533SS..  trans-59.417.6178.4-75.1167.1000115.2E191 A206L189-E191 PolarHBondContact O-N 2.84Å; L189-A206 HydrophobicContact CD1-CB 4.29Å
190T36Very low52Low76 Ų7692.6 Ų92.647%0.46649%0.492SS..  trans-35.3131150.554.40000110.5V188 Y192V188-T190 HydrophobicContact CG1-CG2 4.07Å; V188-T190 PolarHBondContact O-N 2.89Å; V188-T190 PolarHBondContact O-OG1 2.91Å; T190-Y192 PolarHBondContact O-N 3.26Å; T190-Y192 WeakPolarHBondContact OG1-CD2 3.34Å; T190-Y192 WeakPolarHBondContact OG1-CE2 3.3Å
191E39.2Very low55Low136 Ų13689.4 Ų89.464%0.63646%0.459SS*.  trans-79.367.3-168.5-167.8166.5-172.800111.1L189 V193 R196L189-E191 PolarHBondContact O-N 2.84Å; E191-V193 PolarHBondContact O-N 3.02Å; E191-R196 VanDerWaalsContact CD-NH2 3.32Å; E191-R196 IonicContact OE1-CZ 2.74Å; E191-R196 IonicContact OE1-NH1 3.22Å; E191-R196 IonicContact OE1-NH2 2.71Å; E191-R196 PolarHBondContact OE1-NH2 3.04Å
192Y40.4Very low58Low134 Ų13480.9 Ų80.953%0.52541%0.413SS..  trans-68.664.5179.8-96.2-73.2000112.9T190 A194T190-Y192 PolarHBondContact O-N 3.26Å; T190-Y192 WeakPolarHBondContact OG1-CD2 3.34Å; T190-Y192 WeakPolarHBondContact OG1-CE2 3.3Å; Y192-A194 WeakPolarHBondContact O-CB 3.45Å; Y192-A194 PolarHBondContact O-N 2.96Å
193V39.6Very low60.6Low146 Ų14675.6 Ų75.689%0.88538%0.384SS*.SBendtrans39.139.1150.2-153.70000115.4E191E191-V193 PolarHBondContact O-N 3.02Å
194A55Low63.4Low45 Ų4568.2 Ų68.237%0.37235%0.345SS..SBendtrans-139.1139.7-17300000110Y192 R196Y192-A194 WeakPolarHBondContact O-CB 3.45Å; Y192-A194 PolarHBondContact O-N 2.96Å; A194-R196 PolarHBondContact O-N 2.99Å
195T73Confident65.9Low60 Ų6061.2 Ų61.237%0.36832%0.317SS..  trans-65.699-169.6-48.30000112.1W197 Y198T195-W197 HydrophobicContact CG2-CB 3.85Å; T195-W197 HydrophobicContact CG2-CD2 3.22Å; T195-W197 HydrophobicContact CG2-CE3 3.33Å; T195-W197 HydrophobicContact CG2-CG 3.45Å; T195-W197 VanDerWaalsContact CG2-CG 3.45Å; T195-W197 HydrophobicContact CG2-CZ3 4.06Å; T195-W197 PolarHBondContact O-N 3.29Å; T195-W197 VanDerWaalsContact O-N 3.08Å; T195-Y198 HydrophobicContact CG2-CD2 4.19Å; T195-Y198 HydrophobicContact CG2-CE2 3.58Å
196R90.9Very high68.2Low29 Ų2957.7 Ų57.711%0.10931%0.308CS..G310 helixtrans-62.8-11.9178.765.7171.965.884.8-5.8114.7E191 A194 Y198 R199 L204 G235 T236 S237 Q241E191-R196 VanDerWaalsContact CD-NH2 3.32Å; E191-R196 IonicContact OE1-CZ 2.74Å; E191-R196 IonicContact OE1-NH1 3.22Å; E191-R196 IonicContact OE1-NH2 2.71Å; E191-R196 PolarHBondContact OE1-NH2 3.04Å; A194-R196 PolarHBondContact O-N 2.99Å; R196-Y198 PolarHBondContact O-N 2.8Å; R196-Y198 VanDerWaalsContact O-N 3.08Å; R196-R199 WeakPolarHBondContact O-CB 3.4Å; R196-R199 PolarHBondContact O-N 3.08Å; R196-L204 HydrophobicContact CB-CD2 4.3Å; R196-G235 PolarHBondContact NH1-O 3.28Å; R196-T236 PolarHBondContact NH1-O 3.01Å; R196-S237 WeakPolarHBondContact CD-O 3.25Å; R196-Q241 HydrophobicContact CG-CB 4.4Å; R196-Q241 HydrophobicContact CG-CG 4.28Å
197W95.8Very high70.1Confident85 Ų8553.5 Ų53.532%0.32229%0.285SS..G310 helixtrans-59.3-23.9-169.7-52.7-17.9000114.8T195 A231 F233 P234 G235T195-W197 HydrophobicContact CG2-CB 3.85Å; T195-W197 HydrophobicContact CG2-CD2 3.22Å; T195-W197 HydrophobicContact CG2-CE3 3.33Å; T195-W197 HydrophobicContact CG2-CG 3.45Å; T195-W197 VanDerWaalsContact CG2-CG 3.45Å; T195-W197 HydrophobicContact CG2-CZ3 4.06Å; T195-W197 PolarHBondContact O-N 3.29Å; T195-W197 VanDerWaalsContact O-N 3.08Å; W197-A231 HydrophobicContact CD2-CB 4.19Å; W197-A231 HydrophobicContact CE3-CB 3.31Å; W197-A231 HydrophobicContact CZ3-CB 3.63Å; W197-F233 VanDerWaalsContact CB-O 3.29Å; W197-F233 WeakPolarHBondContact CB-O 3.48Å; W197-P234 HydrophobicContact CD2-CB 4.26Å; W197-P234 HydrophobicContact CH2-CB 4.41Å; W197-P234 HydrophobicContact CZ2-CB 4.04Å; W197-G235 PolarHBondContact NE1-O 3.42Å; W197-G235 VanDerWaalsContact NE1-O 3.17Å
198Y96.7Very high71.8Confident19 Ų1955.3 Ų55.38%0.07529%0.29CS..G310 helixtrans-103.9-2.1-178.7-42.8-80.8000113.4L139 K140 P141 T195 R196 S218 C221 I222 E225L139-Y198 WeakPolarHBondContact O-CB 3.36Å; K140-Y198 HydrophobicContact CB-CD1 4.45Å; K140-Y198 HydrophobicContact CB-CD2 3.37Å; K140-Y198 HydrophobicContact CB-CE2 3.65Å; K140-Y198 HydrophobicContact CB-CG 3.82Å; P141-Y198 HydrophobicContact CG-CE1 3.96Å; T195-Y198 HydrophobicContact CG2-CD2 4.19Å; T195-Y198 HydrophobicContact CG2-CE2 3.58Å; R196-Y198 PolarHBondContact O-N 2.8Å; R196-Y198 VanDerWaalsContact O-N 3.08Å; Y198-S218 WeakPolarHBondContact O-CB 3.35Å; Y198-S218 PolarHBondContact O-OG 2.81Å; Y198-C221 HydrophobicContact CD1-CB 3.8Å; Y198-I222 HydrophobicContact CD1-CG1 4.27Å; Y198-E225 WeakPolarHBondContact CE1-OE2 3.49Å; Y198-E225 VanDerWaalsContact CZ-OE2 3.3Å; Y198-E225 PolarHBondContact OH-OE2 3.22Å
199R94.6Very high73.8Confident73 Ų7357 Ų5728%0.27529%0.29SS..SBendtrans-76137.5-179.7-65.6-177.1-177.5179.51.9110.2R196 I203 L204 W217R196-R199 WeakPolarHBondContact O-CB 3.4Å; R196-R199 PolarHBondContact O-N 3.08Å; R199-I203 HydrophobicContact CB-CG2 4.45Å; R199-L204 HydrophobicContact CB-CD2 3.92Å; R199-L204 HydrophobicContact CB-CG 3.98Å; R199-W217 PolarHBondContact O-NE1 3.42Å
200A94.1Very high75.9Confident0 Ų055.2 Ų55.20%028%0.277CS..  trans-65.8149177.100000111.9E202 I203 L204 V214 W217A200-E202 VanDerWaalsContact C-N 3.26Å; A200-E202 VanDerWaalsContact CB-CD 3.46Å; A200-E202 HydrophobicContact CB-CG 4.34Å; A200-E202 WeakPolarHBondContact CB-OE1 3.23Å; A200-E202 VanDerWaalsContact CB-OE2 3.3Å; A200-E202 WeakPolarHBondContact CB-OE2 3.47Å; A200-E202 PolarHBondContact O-N 2.94Å; A200-I203 HydrophobicContact CB-CG1 4.39Å; A200-I203 WeakPolarHBondContact O-CA 3.46Å; A200-I203 WeakPolarHBondContact O-CB 3.25Å; A200-I203 PolarHBondContact O-N 3.4Å; A200-L204 PolarHBondContact O-N 3.45Å; A200-V214 HydrophobicContact CB-CB 4.17Å; A200-V214 HydrophobicContact CB-CG1 4.37Å; A200-W217 HydrophobicContact CB-CB 3.78Å; A200-W217 HydrophobicContact CB-CD2 4.47Å; A200-W217 HydrophobicContact CB-CG 3.72Å
201P92.7Very high78.5Confident2 Ų252.9 Ų52.91%0.01326%0.263CS..Hα-helixtrans-56.5-38.2-178.520.7-31.6000112.5I203 L204 L205 W217 L302P201-I203 VanDerWaalsContact C-N 3.27Å; P201-I203 PolarHBondContact O-N 2.67Å; P201-L204 PolarHBondContact O-N 3.35Å; P201-L204 VanDerWaalsContact O-N 3.15Å; P201-L205 WeakPolarHBondContact O-CB 3.39Å; P201-L205 VanDerWaalsContact O-CG 3.29Å; P201-L205 WeakPolarHBondContact O-CG 3.44Å; P201-L205 PolarHBondContact O-N 2.98Å; P201-W217 HydrophobicContact CG-CE3 4.43Å; P201-W217 HydrophobicContact CG-CZ3 4.41Å; P201-L302 HydrophobicContact CB-CD1 3.89Å; P201-L302 HydrophobicContact CG-CD1 3.91Å
202E90.9Very high81.2Confident1 Ų149.8 Ų49.81%0.00525%0.247CC..Hα-helixtrans-63.4-28174.466.6-86.4-154.500113.6A200 A206 S207 V214 L260 P304 R307A200-E202 VanDerWaalsContact C-N 3.26Å; A200-E202 VanDerWaalsContact CB-CD 3.46Å; A200-E202 HydrophobicContact CB-CG 4.34Å; A200-E202 WeakPolarHBondContact CB-OE1 3.23Å; A200-E202 VanDerWaalsContact CB-OE2 3.3Å; A200-E202 WeakPolarHBondContact CB-OE2 3.47Å; A200-E202 PolarHBondContact O-N 2.94Å; E202-A206 PolarHBondContact O-N 2.84Å; E202-S207 WeakPolarHBondContact O-CB 3.1Å; E202-S207 PolarHBondContact O-N 3.44Å; E202-V214 HydrophobicContact CG-CG1 4.08Å; E202-V214 WeakPolarHBondContact OE1-CG1 3.49Å; E202-L260 HydrophobicContact CB-CD2 4.08Å; E202-P304 HydrophobicContact CG-CG 4.35Å; E202-R307 IonicContact OE1-CZ 3.09Å; E202-R307 IonicContact OE1-NH1 2.68Å; E202-R307 PolarHBondContact OE1-NH1 2.94Å; E202-R307 IonicContact OE1-NH2 3.86Å; E202-R307 PolarHBondContact OE1-NH2 2.85Å; E202-R307 IonicContact OE2-CZ 2.69Å; E202-R307 IonicContact OE2-NH1 3.12Å; E202-R307 PolarHBondContact OE2-NH1 2.9Å; E202-R307 IonicContact OE2-NH2 2.82Å; E202-R307 PolarHBondContact OE2-NH2 3.3Å
203I89.2Confident83.8Confident31 Ų3146.2 Ų46.216%0.15923%0.233CC..Hα-helixtrans-77.5-41.4171.8-61.7-176.4000110.4R199 A200 P201 L205 A206 Y210 V214R199-I203 HydrophobicContact CB-CG2 4.45Å; A200-I203 HydrophobicContact CB-CG1 4.39Å; A200-I203 WeakPolarHBondContact O-CA 3.46Å; A200-I203 WeakPolarHBondContact O-CB 3.25Å; A200-I203 PolarHBondContact O-N 3.4Å; P201-I203 VanDerWaalsContact C-N 3.27Å; P201-I203 PolarHBondContact O-N 2.67Å; I203-L205 PolarHBondContact O-N 3.28Å; I203-A206 PolarHBondContact O-N 2.88Å; I203-Y210 HydrophobicContact CG1-CD1 4.08Å; I203-Y210 HydrophobicContact CG1-CE1 4.07Å; I203-V214 HydrophobicContact CD1-CB 3.85Å; I203-V214 HydrophobicContact CD1-CG1 3.94Å; I203-V214 HydrophobicContact CD1-CG2 4.32Å; I203-V214 HydrophobicContact CG1-CB 4.47Å; I203-V214 HydrophobicContact CG1-CG1 4.06Å
204L90.1Very high86.5Confident3 Ų339.3 Ų39.32%0.01619%0.191CC..Hα-helixtrans-66.3-28178.9-66.5167.7000112.7R196 R199 A200 P201 T238 Q241 I242 I245R196-L204 HydrophobicContact CB-CD2 4.3Å; R199-L204 HydrophobicContact CB-CD2 3.92Å; R199-L204 HydrophobicContact CB-CG 3.98Å; A200-L204 PolarHBondContact O-N 3.45Å; P201-L204 PolarHBondContact O-N 3.35Å; P201-L204 VanDerWaalsContact O-N 3.15Å; L204-T238 HydrophobicContact CB-CG2 4.35Å; L204-T238 HydrophobicContact CD2-CG2 4.28Å; L204-T238 WeakPolarHBondContact O-CG2 3.44Å; L204-Q241 HydrophobicContact CD1-CB 4.26Å; L204-Q241 HydrophobicContact CD1-CG 3.43Å; L204-Q241 VanDerWaalsContact CD1-CG 3.43Å; L204-Q241 HydrophobicContact CD2-CG 4.16Å; L204-Q241 HydrophobicContact CG-CG 4.46Å; L204-I242 HydrophobicContact CB-CD1 4.29Å; L204-I242 HydrophobicContact CB-CG1 4.21Å; L204-I242 HydrophobicContact CD1-CG1 4.41Å; L204-I245 HydrophobicContact CD1-CD1 3.78Å
205L88Confident88.5Confident0 Ų037.2 Ų37.20%017%0.174CC..THydrogen-bonded Turntrans-94.69.4176.6-63.5178000113.5P201 I203 S207 I242 L260 S262 V268 L269P201-L205 WeakPolarHBondContact O-CB 3.39Å; P201-L205 VanDerWaalsContact O-CG 3.29Å; P201-L205 WeakPolarHBondContact O-CG 3.44Å; P201-L205 PolarHBondContact O-N 2.98Å; I203-L205 PolarHBondContact O-N 3.28Å; L205-S207 VanDerWaalsContact C-N 3.3Å; L205-S207 PolarHBondContact O-N 3.19Å; L205-I242 HydrophobicContact CD2-CD1 3.47Å; L205-I242 VanDerWaalsContact CD2-CD1 3.47Å; L205-I242 HydrophobicContact CD2-CG1 4.37Å; L205-I242 HydrophobicContact CG-CD1 4.27Å; L205-L260 HydrophobicContact CD1-CD1 4.12Å; L205-S262 WeakPolarHBondContact O-CB 3.46Å; L205-S262 PolarHBondContact O-OG 2.89Å; L205-V268 HydrophobicContact CD2-CB 4.16Å; L205-V268 HydrophobicContact CD2-CG1 4.32Å; L205-L269 HydrophobicContact CD1-CD1 3.87Å; L205-L269 HydrophobicContact CD1-CD2 4.28Å; L205-L269 HydrophobicContact CD1-CG 4.04Å
206A81.6Confident89.7Confident38 Ų3834.4 Ų34.431%0.31416%0.156SC..THydrogen-bonded Turntrans5340.4178.800000114.6L189 E202 I203L189-A206 HydrophobicContact CD1-CB 4.29Å; E202-A206 PolarHBondContact O-N 2.84Å; I203-A206 PolarHBondContact O-N 2.88Å
207S80.4Confident90Very high1 Ų133 Ų331%0.00715%0.151CC..  trans-51.3146172.7-177.50000112.1E202 L205 R209 Y210 L260 H261E202-S207 WeakPolarHBondContact O-CB 3.1Å; E202-S207 PolarHBondContact O-N 3.44Å; L205-S207 VanDerWaalsContact C-N 3.3Å; L205-S207 PolarHBondContact O-N 3.19Å; S207-R209 VanDerWaalsContact C-N 3.33Å; S207-R209 PolarHBondContact OG-N 2.87Å; S207-Y210 WeakPolarHBondContact O-CE1 3.09Å; S207-Y210 PolarHBondContact O-OH 2.64Å; S207-L260 WeakPolarHBondContact CB-O 3.16Å; S207-L260 PolarHBondContact OG-O 3.3Å; S207-H261 WeakPolarHBondContact CA-O 3.26Å; S207-H261 PolarHBondContact OG-O 2.62Å
208N72.4Confident90.2Very high130 Ų13029.2 Ų29.270%0.69514%0.138SC*.SBendtrans-79.2-12.8172.165.815.2000113.5H261N208-H261 PolarHBondContact N-O 2.89Å; N208-H261 WeakPolarHBondContact OD1-CB 3.38Å
209R74.3Confident90.3Very high95 Ų9528.3 Ų28.336%0.35813%0.134SC..  trans-121.787.7-170.2-175.2178.9165.7-148.6-9.9112.2S207 H261 E305S207-R209 VanDerWaalsContact C-N 3.33Å; S207-R209 PolarHBondContact OG-N 2.87Å; R209-H261 HydrophobicContact CB-CB 4.33Å; R209-H261 PolarHBondContact NH1-NE2 3.37Å; R209-E305 IonicContact CZ-OE1 3.61Å; R209-E305 IonicContact NH1-OE1 2.89Å; R209-E305 PolarHBondContact NH1-OE1 2.94Å; R209-E305 IonicContact NH2-OE1 3.43Å; R209-E305 PolarHBondContact NH2-OE1 3.35Å
210Y79.3Confident90.4Very high55 Ų5524.8 Ų24.822%0.21612%0.121CC..  trans-82.5146.9171-50.9-46.8000112.4I203 S207I203-Y210 HydrophobicContact CG1-CD1 4.08Å; I203-Y210 HydrophobicContact CG1-CE1 4.07Å; S207-Y210 WeakPolarHBondContact O-CE1 3.09Å; S207-Y210 PolarHBondContact O-OH 2.64Å
211T90.3Very high90.7Very high27 Ų2724.9 Ų24.917%0.16612%0.122CC..  trans-141.1174.6-17762.70000110.4Y213 V214T211-Y213 PolarHBondContact O-N 2.93Å; T211-Y213 VanDerWaalsContact O-N 3.15Å; T211-Y213 WeakPolarHBondContact OG1-CD2 3.29Å; T211-V214 WeakPolarHBondContact O-CG1 3.44Å; T211-V214 WeakPolarHBondContact O-CG2 3.47Å; T211-V214 PolarHBondContact O-N 2.82Å
212K95.4Very high90.9Very high71 Ų7124.8 Ų24.831%0.30912%0.121SC..THydrogen-bonded Turntrans-56.7-27.1175.5-67.4176.1-172-175.70113.3H130 N133 I135 L163 V214 D215H130-K212 HydrophobicContact CB-CD 4.05Å; H130-K212 PolarHBondContact CE1-O 2.84Å; H130-K212 VanDerWaalsContact O-CE 3.25Å; H130-K212 WeakPolarHBondContact O-CE 3.25Å; H130-K212 PolarHBondContact O-NZ 2.62Å; N133-K212 WeakPolarHBondContact OD1-CE 3.39Å; N133-K212 PolarHBondContact OD1-NZ 3.42Å; I135-K212 HydrophobicContact CG2-CB 4.44Å; I135-K212 HydrophobicContact CG2-CG 4.11Å; L163-K212 HydrophobicContact CD1-CG 3.97Å; K212-V214 PolarHBondContact O-N 3.31Å; K212-V214 VanDerWaalsContact O-N 3.16Å; K212-D215 PolarHBondContact O-N 3.2Å
213Y96Very high91.3Very high59 Ų5924.8 Ų24.823%0.23112%0.121CC..Hα-helixtrans-64.4-15.1179.4-58.3-64.9000114.8T211 D215 I216 W217 P304 R307 T309T211-Y213 PolarHBondContact O-N 2.93Å; T211-Y213 VanDerWaalsContact O-N 3.15Å; T211-Y213 WeakPolarHBondContact OG1-CD2 3.29Å; Y213-D215 VanDerWaalsContact C-N 3.32Å; Y213-I216 HydrophobicContact CD1-CG1 4.4Å; Y213-I216 PolarHBondContact O-N 2.78Å; Y213-W217 PolarHBondContact O-N 3.01Å; Y213-W217 VanDerWaalsContact O-N 3.13Å; Y213-P304 WeakPolarHBondContact CD1-O 3.27Å; Y213-P304 HydrophobicContact CD2-CB 4.13Å; Y213-P304 WeakPolarHBondContact CD2-O 3.43Å; Y213-P304 HydrophobicContact CG-CB 4.27Å; Y213-R307 HydrophobicContact CD1-CB 4.03Å; Y213-R307 WeakPolarHBondContact CE1-O 3.18Å; Y213-R307 PolarHBondContact O-NH1 2.83Å; Y213-T309 HydrophobicContact CE1-CG2 4.3Å
214V95.1Very high91.7Very high1 Ų123.3 Ų23.31%0.00611%0.113CC..Hα-helixtrans-64.8-37.2173.4-55.90000112I135 R137 A200 E202 I203 T211 K212 S218I135-V214 HydrophobicContact CB-CG2 4.34Å; I135-V214 HydrophobicContact CD1-CG2 4.09Å; R137-V214 HydrophobicContact CG-CG2 4.23Å; A200-V214 HydrophobicContact CB-CB 4.17Å; A200-V214 HydrophobicContact CB-CG1 4.37Å; E202-V214 HydrophobicContact CG-CG1 4.08Å; E202-V214 WeakPolarHBondContact OE1-CG1 3.49Å; I203-V214 HydrophobicContact CD1-CB 3.85Å; I203-V214 HydrophobicContact CD1-CG1 3.94Å; I203-V214 HydrophobicContact CD1-CG2 4.32Å; I203-V214 HydrophobicContact CG1-CB 4.47Å; I203-V214 HydrophobicContact CG1-CG1 4.06Å; T211-V214 WeakPolarHBondContact O-CG1 3.44Å; T211-V214 WeakPolarHBondContact O-CG2 3.47Å; T211-V214 PolarHBondContact O-N 2.82Å; K212-V214 PolarHBondContact O-N 3.31Å; K212-V214 VanDerWaalsContact O-N 3.16Å; V214-S218 PolarHBondContact O-N 3.21Å; V214-S218 PolarHBondContact O-OG 3.48Å
215D97.5Very high92Very high1 Ų123.5 Ų23.51%0.00511%0.114CC..Hα-helixtrans-75.5-36.2179-70.3-30.4000110.3V126 H130 I135 H136 R137 L139 K212 Y213 W217 S218 L219V126-D215 HydrophobicContact CG1-CB 4.42Å; H130-D215 IonicContact CD2-OD2 3.26Å; H130-D215 IonicContact CE1-OD2 2.69Å; H130-D215 IonicContact NE2-OD2 3.31Å; H130-D215 PolarHBondContact NE2-OD2 2.8Å; I135-D215 VanDerWaalsContact CA-OD2 3.3Å; I135-D215 WeakPolarHBondContact CA-OD2 3.28Å; H136-D215 PolarHBondContact N-OD1 2.91Å; H136-D215 PolarHBondContact N-OD2 2.87Å; R137-D215 PolarHBondContact N-OD1 3.06Å; L139-D215 HydrophobicContact CD1-CB 3.72Å; K212-D215 PolarHBondContact O-N 3.2Å; Y213-D215 VanDerWaalsContact C-N 3.32Å; D215-W217 VanDerWaalsContact C-N 3.31Å; D215-W217 PolarHBondContact O-N 3.39Å; D215-S218 WeakPolarHBondContact O-CB 3.46Å; D215-S218 PolarHBondContact O-N 2.88Å; D215-S218 VanDerWaalsContact O-N 3.13Å; D215-L219 WeakPolarHBondContact O-CG 3.48Å; D215-L219 PolarHBondContact O-N 3.1Å
216I98.6Very high92.5Very high1 Ų123.8 Ų23.81%0.00512%0.116CC..Hα-helixtrans-59.2-42.4175-53.6-60000111.2Y213 S218 L219 G220 M299 R307 F308 V310Y213-I216 HydrophobicContact CD1-CG1 4.4Å; Y213-I216 PolarHBondContact O-N 2.78Å; I216-S218 VanDerWaalsContact C-N 3.34Å; I216-S218 PolarHBondContact O-N 3.37Å; I216-L219 HydrophobicContact CD1-CD1 4.29Å; I216-L219 WeakPolarHBondContact O-CB 3.47Å; I216-L219 PolarHBondContact O-N 2.74Å; I216-G220 PolarHBondContact O-N 2.76Å; I216-M299 HydrophobicContact CG2-CB 4.14Å; I216-M299 HydrophobicContact CG2-CG 3.79Å; I216-M299 HydrophobicContact CG2-SD 4.49Å; I216-R307 HydrophobicContact CG2-CB 4.22Å; I216-F308 WeakPolarHBondContact CG1-O 3.36Å; I216-F308 VanDerWaalsContact CG2-O 3.3Å; I216-F308 WeakPolarHBondContact CG2-O 3.42Å; I216-V310 HydrophobicContact CD1-CB 3.98Å
217W98Very high93.2Very high0 Ų022.6 Ų22.60%010%0.104CC..Hα-helixtrans-57.5-47.5173.8172.5-84.8000112R199 A200 P201 Y213 D215 L219 G220 C221 F233 I245 M249 I300R199-W217 PolarHBondContact O-NE1 3.42Å; A200-W217 HydrophobicContact CB-CB 3.78Å; A200-W217 HydrophobicContact CB-CD2 4.47Å; A200-W217 HydrophobicContact CB-CG 3.72Å; P201-W217 HydrophobicContact CG-CE3 4.43Å; P201-W217 HydrophobicContact CG-CZ3 4.41Å; Y213-W217 PolarHBondContact O-N 3.01Å; Y213-W217 VanDerWaalsContact O-N 3.13Å; D215-W217 VanDerWaalsContact C-N 3.31Å; D215-W217 PolarHBondContact O-N 3.39Å; W217-L219 VanDerWaalsContact C-N 3.33Å; W217-L219 PolarHBondContact O-N 3.48Å; W217-G220 PolarHBondContact O-N 3.38Å; W217-C221 PolarHBondContact NE1-SG 3Å; W217-C221 VanDerWaalsContact NE1-SG 3.41Å; W217-C221 PolarHBondContact O-N 2.69Å; W217-C221 PolarHBondContact O-SG 3.15Å; W217-C221 VanDerWaalsContact O-SG 3.4Å; W217-F233 HydrophobicContact CH2-CE2 4.03Å; W217-F233 HydrophobicContact CZ2-CD2 4.05Å; W217-F233 AromaticContact CZ2-CE2 3.82Å; W217-F233 HydrophobicContact CZ2-CE2 3.82Å; W217-I245 HydrophobicContact CH2-CD1 4.31Å; W217-I245 HydrophobicContact CH2-CG1 4.14Å; W217-I245 HydrophobicContact CH2-CG2 3.69Å; W217-I245 HydrophobicContact CZ2-CD1 3.65Å; W217-I245 HydrophobicContact CZ2-CG1 3.78Å; W217-I245 HydrophobicContact CZ2-CG2 4.14Å; W217-M249 HydrophobicContact CH2-CE 3.47Å; W217-M249 VanDerWaalsContact CH2-CE 3.47Å; W217-M249 HydrophobicContact CZ3-CE 3.38Å; W217-I300 HydrophobicContact CD2-CD1 4.27Å; W217-I300 HydrophobicContact CE3-CD1 4.13Å; W217-I300 HydrophobicContact CH2-CD1 4.29Å; W217-I300 HydrophobicContact CH2-CG2 3.79Å; W217-I300 HydrophobicContact CZ2-CD1 4.45Å; W217-I300 HydrophobicContact CZ3-CB 4.33Å; W217-I300 HydrophobicContact CZ3-CD1 4.14Å; W217-I300 HydrophobicContact CZ3-CG2 3.81Å
218S98.2Very high93.9Very high5 Ų524.6 Ų24.64%0.03511%0.114CC..Hα-helixtrans-63.2-39.1178.1-55.20000111.8Y198 V214 D215 I216 G220 C221 I222Y198-S218 WeakPolarHBondContact O-CB 3.35Å; Y198-S218 PolarHBondContact O-OG 2.81Å; V214-S218 PolarHBondContact O-N 3.21Å; V214-S218 PolarHBondContact O-OG 3.48Å; D215-S218 WeakPolarHBondContact O-CB 3.46Å; D215-S218 PolarHBondContact O-N 2.88Å; D215-S218 VanDerWaalsContact O-N 3.13Å; I216-S218 VanDerWaalsContact C-N 3.34Å; I216-S218 PolarHBondContact O-N 3.37Å; S218-G220 VanDerWaalsContact C-N 3.35Å; S218-G220 PolarHBondContact O-N 3.17Å; S218-C221 PolarHBondContact O-N 3.25Å; S218-I222 VanDerWaalsContact O-CD1 3.29Å; S218-I222 WeakPolarHBondContact O-CD1 3.48Å; S218-I222 VanDerWaalsContact O-CG1 3.22Å; S218-I222 WeakPolarHBondContact O-CG1 3.19Å; S218-I222 PolarHBondContact O-N 3.43Å
219L98.7Very high94.9Very high0 Ų020.6 Ų20.60%010%0.104CC..Hα-helixtrans-58.6-44171.7-69.1178000111.9F119 L122 L123 V126 L139 D215 I216 W217 C221 I222 L223 M299F119-L219 HydrophobicContact CE2-CB 4.17Å; F119-L219 HydrophobicContact CE2-CD2 4.39Å; F119-L219 WeakPolarHBondContact CE2-O 3.45Å; F119-L219 HydrophobicContact CZ-CB 4.05Å; L122-L219 HydrophobicContact CD1-CD2 4.39Å; L122-L219 HydrophobicContact CD2-CD2 3.37Å; L122-L219 HydrophobicContact CG-CD2 3.52Å; L123-L219 HydrophobicContact CD2-CD1 3.78Å; V126-L219 HydrophobicContact CB-CD1 4.35Å; V126-L219 HydrophobicContact CG1-CD1 4.24Å; V126-L219 HydrophobicContact CG2-CD1 4.16Å; V126-L219 HydrophobicContact CG2-CD2 4.18Å; V126-L219 HydrophobicContact CG2-CG 4.49Å; L139-L219 HydrophobicContact CD1-CD2 3.96Å; L139-L219 HydrophobicContact CD1-CG 4.01Å; D215-L219 WeakPolarHBondContact O-CG 3.48Å; D215-L219 PolarHBondContact O-N 3.1Å; I216-L219 HydrophobicContact CD1-CD1 4.29Å; I216-L219 WeakPolarHBondContact O-CB 3.47Å; I216-L219 PolarHBondContact O-N 2.74Å; W217-L219 VanDerWaalsContact C-N 3.33Å; W217-L219 PolarHBondContact O-N 3.48Å; L219-C221 PolarHBondContact O-N 3.23Å; L219-I222 PolarHBondContact O-N 3.47Å; L219-L223 PolarHBondContact O-N 3.43Å; L219-M299 HydrophobicContact CB-SD 4.01Å
220G98.6Very high95.9Very high0 Ų022.5 Ų22.50%012%0.115CC..Hα-helixtrans-58.1-46.7173.200000112I216 W217 S218 I222 L223 G224 L296I216-G220 PolarHBondContact O-N 2.76Å; W217-G220 PolarHBondContact O-N 3.38Å; S218-G220 VanDerWaalsContact C-N 3.35Å; S218-G220 PolarHBondContact O-N 3.17Å; G220-I222 VanDerWaalsContact C-N 3.28Å; G220-I222 PolarHBondContact O-N 2.67Å; G220-L223 PolarHBondContact O-N 2.83Å; G220-G224 PolarHBondContact O-N 3.35Å; G220-L296 WeakPolarHBondContact O-CD1 3.21Å
221C98.5Very high96.7Very high2 Ų220.6 Ų20.61%0.01411%0.11CC..Hα-helixtrans-61-36.7176.7-650000112.5Y198 W217 S218 L219 E225Y198-C221 HydrophobicContact CD1-CB 3.8Å; W217-C221 PolarHBondContact NE1-SG 3Å; W217-C221 VanDerWaalsContact NE1-SG 3.41Å; W217-C221 PolarHBondContact O-N 2.69Å; W217-C221 PolarHBondContact O-SG 3.15Å; W217-C221 VanDerWaalsContact O-SG 3.4Å; S218-C221 PolarHBondContact O-N 3.25Å; L219-C221 PolarHBondContact O-N 3.23Å; C221-E225 WeakPolarHBondContact O-CB 3.18Å; C221-E225 PolarHBondContact O-N 3.45Å
222I98.5Very high97Very high0 Ų019.8 Ų19.80%011%0.105CC..Hα-helixtrans-70.6-42.2176.9-67.9156.3000111.5L100 L122 L139 P141 I144 Y198 S218 L219 G220 E225 M226L100-I222 HydrophobicContact CD2-CG2 3.74Å; L122-I222 HydrophobicContact CD2-CD1 4.45Å; L122-I222 HydrophobicContact CD2-CG2 4.18Å; L139-I222 HydrophobicContact CB-CD1 3.95Å; P141-I222 HydrophobicContact CG-CG1 4.13Å; I144-I222 HydrophobicContact CD1-CD1 3.89Å; I144-I222 HydrophobicContact CD1-CG1 4.48Å; I144-I222 HydrophobicContact CD1-CG2 3.96Å; Y198-I222 HydrophobicContact CD1-CG1 4.27Å; S218-I222 VanDerWaalsContact O-CD1 3.29Å; S218-I222 WeakPolarHBondContact O-CD1 3.48Å; S218-I222 VanDerWaalsContact O-CG1 3.22Å; S218-I222 WeakPolarHBondContact O-CG1 3.19Å; S218-I222 PolarHBondContact O-N 3.43Å; L219-I222 PolarHBondContact O-N 3.47Å; G220-I222 VanDerWaalsContact C-N 3.28Å; G220-I222 PolarHBondContact O-N 2.67Å; I222-E225 PolarHBondContact O-N 3.19Å; I222-M226 HydrophobicContact CG2-CE 4.42Å; I222-M226 WeakPolarHBondContact O-CG 3.46Å; I222-M226 PolarHBondContact O-N 3.18Å
223L98.5Very high97.1Very high0 Ų016.6 Ų16.60%09%0.091CC..Hα-helixtrans-61.7-49.3174.2179.358.4000110.6F119 L219 G220 E225 M226 L227 L295 L296 Y318F119-L223 HydrophobicContact CD1-CD1 4.4Å; F119-L223 HydrophobicContact CD1-CD2 4.47Å; F119-L223 HydrophobicContact CD2-CB 4.3Å; F119-L223 HydrophobicContact CD2-CD1 4.46Å; F119-L223 HydrophobicContact CE1-CB 4.43Å; F119-L223 HydrophobicContact CE1-CD2 3.93Å; F119-L223 HydrophobicContact CE2-CB 3.75Å; F119-L223 HydrophobicContact CG-CD1 4.34Å; F119-L223 HydrophobicContact CZ-CB 3.81Å; F119-L223 HydrophobicContact CZ-CD2 4.06Å; F119-L223 HydrophobicContact CZ-CG 4.4Å; L219-L223 PolarHBondContact O-N 3.43Å; G220-L223 PolarHBondContact O-N 2.83Å; L223-E225 VanDerWaalsContact C-N 3.3Å; L223-E225 PolarHBondContact O-N 2.9Å; L223-M226 HydrophobicContact CD1-CE 4.23Å; L223-M226 PolarHBondContact O-N 3.24Å; L223-M226 VanDerWaalsContact O-N 3.14Å; L223-L227 HydrophobicContact CD1-CD1 4.01Å; L223-L227 HydrophobicContact CD1-CG 4.18Å; L223-L227 HydrophobicContact CG-CD1 3.91Å; L223-L227 HydrophobicContact CG-CG 4.5Å; L223-L227 VanDerWaalsContact O-CG 3.29Å; L223-L227 WeakPolarHBondContact O-CG 3.29Å; L223-L227 PolarHBondContact O-N 2.76Å; L223-L295 HydrophobicContact CD2-CB 4.31Å; L223-L295 HydrophobicContact CD2-CD2 4.27Å; L223-L295 HydrophobicContact CD2-CG 4.16Å; L223-L296 HydrophobicContact CB-CD1 4.45Å; L223-L296 HydrophobicContact CD2-CB 4.12Å; L223-Y318 HydrophobicContact CD1-CE1 3.74Å
224G97.7Very high97Very high0 Ų016.1 Ų16.10%010%0.095CC..Hα-helixtrans-56.5-42.1175.400000112.6G220 L227 L228G220-G224 PolarHBondContact O-N 3.35Å; G224-L227 PolarHBondContact O-N 2.71Å; G224-L228 WeakPolarHBondContact O-CB 3.45Å; G224-L228 PolarHBondContact O-N 3.01Å
225E97.4Very high97Very high8 Ų816.1 Ų16.14%0.03710%0.096CC..Hα-helixtrans-67.9-36.1176.1-177.6166.7161.900113.2I104 Y198 C221 I222 L223 G229 K230 A231I104-E225 HydrophobicContact CD1-CG 3.89Å; I104-E225 HydrophobicContact CG2-CG 4.15Å; Y198-E225 WeakPolarHBondContact CE1-OE2 3.49Å; Y198-E225 VanDerWaalsContact CZ-OE2 3.3Å; Y198-E225 PolarHBondContact OH-OE2 3.22Å; C221-E225 WeakPolarHBondContact O-CB 3.18Å; C221-E225 PolarHBondContact O-N 3.45Å; I222-E225 PolarHBondContact O-N 3.19Å; L223-E225 VanDerWaalsContact C-N 3.3Å; L223-E225 PolarHBondContact O-N 2.9Å; E225-G229 WeakPolarHBondContact O-CA 3.49Å; E225-G229 PolarHBondContact O-N 3.48Å; E225-K230 WeakPolarHBondContact CA-O 3.49Å; E225-A231 VanDerWaalsContact OE2-CA 3.31Å; E225-A231 WeakPolarHBondContact OE2-CA 3.33Å; E225-A231 WeakPolarHBondContact OE2-CB 3.26Å
226M97.3Very high96.7Very high6 Ų621.1 Ų21.13%0.0313%0.126CC..Hα-helixtrans-67.4-33.9173.1-76.2-168.2-60.100113.3L100 I104 K115 I118 F119 I222 L223L100-M226 HydrophobicContact CD1-CG 4.11Å; L100-M226 HydrophobicContact CD1-SD 3.89Å; L100-M226 HydrophobicContact CD2-CG 4.12Å; L100-M226 HydrophobicContact CD2-SD 3.87Å; L100-M226 HydrophobicContact CG-CG 4.46Å; L100-M226 HydrophobicContact CG-SD 4.46Å; I104-M226 HydrophobicContact CD1-CB 4.44Å; I104-M226 HydrophobicContact CD1-CG 3.68Å; I104-M226 HydrophobicContact CG1-CG 4.36Å; K115-M226 HydrophobicContact CD-CB 4.47Å; K115-M226 WeakPolarHBondContact CD-O 3.38Å; K115-M226 WeakPolarHBondContact CE-O 3.42Å; K115-M226 HydrophobicContact CG-CB 4.38Å; I118-M226 HydrophobicContact CG2-SD 4.03Å; F119-M226 HydrophobicContact CB-CE 4.05Å; F119-M226 HydrophobicContact CD2-CE 3.7Å; F119-M226 HydrophobicContact CG-CE 4.21Å; I222-M226 HydrophobicContact CG2-CE 4.42Å; I222-M226 WeakPolarHBondContact O-CG 3.46Å; I222-M226 PolarHBondContact O-N 3.18Å; L223-M226 HydrophobicContact CD1-CE 4.23Å; L223-M226 PolarHBondContact O-N 3.24Å; L223-M226 VanDerWaalsContact O-N 3.14Å
227L96.1Very high96.2Very high12 Ų1223.3 Ų23.36%0.06314%0.141CC..Hα-helixtrans-77.9-41.2177.9-64167.9000111.4K115 L223 G224 F284 I288 A292K115-L227 HydrophobicContact CD-CD2 4.26Å; L223-L227 HydrophobicContact CD1-CD1 4.01Å; L223-L227 HydrophobicContact CD1-CG 4.18Å; L223-L227 HydrophobicContact CG-CD1 3.91Å; L223-L227 HydrophobicContact CG-CG 4.5Å; L223-L227 VanDerWaalsContact O-CG 3.29Å; L223-L227 WeakPolarHBondContact O-CG 3.29Å; L223-L227 PolarHBondContact O-N 2.76Å; G224-L227 PolarHBondContact O-N 2.71Å; L227-F284 HydrophobicContact CB-CD1 4.16Å; L227-F284 HydrophobicContact CB-CE1 3.8Å; L227-F284 HydrophobicContact CD1-CE1 4.49Å; L227-I288 HydrophobicContact CD1-CG2 4.35Å; L227-I288 HydrophobicContact CD2-CG2 4.01Å; L227-A292 HydrophobicContact CD1-CB 3.71Å; L227-A292 HydrophobicContact CD2-CB 3.72Å; L227-A292 HydrophobicContact CG-CB 4.37Å
228L94.7Very high95.7Very high44 Ų4425.2 Ų25.223%0.2315%0.153CC..Hα-helixtrans-88.7-16.4-173.4-167.259.1000114.3G224 K230 L232 L283 F284G224-L228 WeakPolarHBondContact O-CB 3.45Å; G224-L228 PolarHBondContact O-N 3.01Å; L228-K230 HydrophobicContact CB-CG 4.48Å; L228-K230 HydrophobicContact CD2-CG 4.01Å; L228-K230 HydrophobicContact CG-CD 4.36Å; L228-K230 HydrophobicContact CG-CG 3.76Å; L228-K230 PolarHBondContact O-N 3.25Å; L228-L232 HydrophobicContact CD2-CD1 4.38Å; L228-L283 WeakPolarHBondContact CD1-O 3.43Å; L228-F284 HydrophobicContact CB-CD1 4.34Å; L228-F284 HydrophobicContact CB-CE1 3.86Å; L228-F284 HydrophobicContact CD1-CD1 4.25Å; L228-F284 HydrophobicContact CD1-CE1 4.44Å
229G94.6Very high95.3Very high46 Ų4629.3 Ų29.347%0.47417%0.174SC..SBendtrans74.93.4-17700000115E225E225-G229 WeakPolarHBondContact O-CA 3.49Å; E225-G229 PolarHBondContact O-N 3.48Å
230K94.8Very high94.9Very high135 Ų13530.7 Ų30.759%0.58718%0.181SC*.SBendtrans-154.9153.5-177.657.1-179.3175.8-174.50109.3E225 L228 L232E225-K230 WeakPolarHBondContact CA-O 3.49Å; L228-K230 HydrophobicContact CB-CG 4.48Å; L228-K230 HydrophobicContact CD2-CG 4.01Å; L228-K230 HydrophobicContact CG-CD 4.36Å; L228-K230 HydrophobicContact CG-CG 3.76Å; L228-K230 PolarHBondContact O-N 3.25Å; K230-L232 PolarHBondContact O-N 3.33Å
231A96.6Very high94.7Very high14 Ų1430.7 Ų30.712%0.11618%0.181CC..  trans-54.7134.3-176.600000112.9W197 E225W197-A231 HydrophobicContact CD2-CB 4.19Å; W197-A231 HydrophobicContact CE3-CB 3.31Å; W197-A231 HydrophobicContact CZ3-CB 3.63Å; E225-A231 VanDerWaalsContact OE2-CA 3.31Å; E225-A231 WeakPolarHBondContact OE2-CA 3.33Å; E225-A231 WeakPolarHBondContact OE2-CB 3.26Å
232L97Very high94.4Very high11 Ų1130.8 Ų30.86%0.05818%0.182CC..SBendtrans-64.2-44.2-174.1-170.863.8000112.4L228 K230 L280 L283 F284 L296 I300L228-L232 HydrophobicContact CD2-CD1 4.38Å; K230-L232 PolarHBondContact O-N 3.33Å; L232-L280 HydrophobicContact CD1-CD1 4.25Å; L232-L280 HydrophobicContact CD2-CD1 4.47Å; L232-L283 HydrophobicContact CD1-CD1 3.88Å; L232-F284 HydrophobicContact CD1-CE2 4.23Å; L232-F284 HydrophobicContact CD1-CZ 3.76Å; L232-L296 HydrophobicContact CD2-CD1 4.37Å; L232-I300 HydrophobicContact CD2-CD1 4.42Å; L232-I300 HydrophobicContact CD2-CG1 4.34Å
233F96.6Very high94.1Very high3 Ų333 Ų331%0.01319%0.192CC..  trans-12978.5-176.9-58.4-54000112.1W197 W217 G235 Q241 R244 I245 V248 L280 I300W197-F233 VanDerWaalsContact CB-O 3.29Å; W197-F233 WeakPolarHBondContact CB-O 3.48Å; W217-F233 HydrophobicContact CH2-CE2 4.03Å; W217-F233 HydrophobicContact CZ2-CD2 4.05Å; W217-F233 AromaticContact CZ2-CE2 3.82Å; W217-F233 HydrophobicContact CZ2-CE2 3.82Å; F233-G235 VanDerWaalsContact C-N 3.35Å; F233-G235 PolarHBondContact O-N 3.1Å; F233-Q241 PolarHBondContact O-NE2 3.39Å; F233-Q241 PolarHBondContact O-OE1 2.72Å; F233-R244 HydrophobicContact CD1-CB 4.4Å; F233-I245 HydrophobicContact CB-CG1 4.42Å; F233-I245 HydrophobicContact CD1-CG1 4.41Å; F233-I245 HydrophobicContact CD2-CG1 3.95Å; F233-I245 HydrophobicContact CE2-CG1 4.28Å; F233-I245 HydrophobicContact CG-CG1 4.02Å; F233-V248 HydrophobicContact CE1-CG2 3.47Å; F233-V248 VanDerWaalsContact CE1-CG2 3.47Å; F233-V248 HydrophobicContact CZ-CG2 3.64Å; F233-L280 HydrophobicContact CZ-CD1 4.31Å; F233-I300 HydrophobicContact CE2-CD1 4.44Å; F233-I300 HydrophobicContact CE2-CG2 4.05Å; F233-I300 HydrophobicContact CZ-CG2 3.98Å
234P95Very high93.8Very high49 Ų4937.4 Ų37.432%0.31821%0.208SC..  trans-82.671.8-17633.3-34.9000112.4W197 R244W197-P234 HydrophobicContact CD2-CB 4.26Å; W197-P234 HydrophobicContact CH2-CB 4.41Å; W197-P234 HydrophobicContact CZ2-CB 4.04Å; P234-R244 PolarHBondContact O-NE 3.4Å
235G93.5Very high93.7Very high2 Ų237.4 Ų37.42%0.02121%0.209CC..  trans-75.6132179.200000114.2R196 W197 F233R196-G235 PolarHBondContact NH1-O 3.28Å; W197-G235 PolarHBondContact NE1-O 3.42Å; W197-G235 VanDerWaalsContact NE1-O 3.17Å; F233-G235 VanDerWaalsContact C-N 3.35Å; F233-G235 PolarHBondContact O-N 3.1Å
236T91.4Very high93.4Very high105 Ų10537.4 Ų37.464%0.64421%0.208SC*.SBendtrans-77.7-33.4179.551.40000113.2R196 N240R196-T236 PolarHBondContact NH1-O 3.01Å; T236-N240 PolarHBondContact N-OD1 3.16Å; T236-N240 PolarHBondContact OG1-OD1 2.86Å
237S89.4Confident93.2Very high47 Ų4738.7 Ų38.733%0.32922%0.218SC..SBendtrans-130.8173.3173.971.20000110.1R196 I239 N240 Q241R196-S237 WeakPolarHBondContact CD-O 3.25Å; S237-I239 VanDerWaalsContact C-N 3.34Å; S237-N240 PolarHBondContact O-N 3.16Å; S237-N240 PolarHBondContact OG-N 2.89Å; S237-N240 VanDerWaalsContact OG-N 3.12Å; S237-Q241 WeakPolarHBondContact O-CB 3.35Å; S237-Q241 PolarHBondContact O-N 3.18Å
238T87.5Confident93Very high40 Ų4038.7 Ų38.725%0.24522%0.219CC..Hα-helixtrans-61.6-41.9175-56.60000111.6L204 Q241 I242L204-T238 HydrophobicContact CB-CG2 4.35Å; L204-T238 HydrophobicContact CD2-CG2 4.28Å; L204-T238 WeakPolarHBondContact O-CG2 3.44Å; T238-Q241 WeakPolarHBondContact O-CB 3.42Å; T238-Q241 PolarHBondContact O-N 2.96Å; T238-I242 HydrophobicContact CG2-CD1 4.18Å; T238-I242 WeakPolarHBondContact O-CD1 3.33Å; T238-I242 WeakPolarHBondContact O-CG1 3.43Å; T238-I242 PolarHBondContact O-N 3.13Å
239I88.5Confident92.8Very high91 Ų9137.5 Ų37.547%0.46721%0.212SC..Hα-helixtrans-63.2-47.3175.5-62.8172000110.3S237 Q241 I242 E243S237-I239 VanDerWaalsContact C-N 3.34Å; I239-Q241 VanDerWaalsContact C-N 3.26Å; I239-Q241 PolarHBondContact O-N 3.37Å; I239-I242 PolarHBondContact O-N 2.75Å; I239-E243 HydrophobicContact CG2-CG 4.42Å; I239-E243 PolarHBondContact O-N 3.2Å
240N91.2Very high92.3Very high30 Ų3041.5 Ų41.516%0.1622%0.219CC..Hα-helixtrans-68.4-24.3179.9-172.8-112.9000113.6T236 S237 E243 R244T236-N240 PolarHBondContact N-OD1 3.16Å; T236-N240 PolarHBondContact OG1-OD1 2.86Å; S237-N240 PolarHBondContact O-N 3.16Å; S237-N240 PolarHBondContact OG-N 2.89Å; S237-N240 VanDerWaalsContact OG-N 3.12Å; N240-E243 WeakPolarHBondContact CA-OE2 3.13Å; N240-E243 PolarHBondContact ND2-OE2 2.89Å; N240-R244 WeakPolarHBondContact O-CD 3.21Å; N240-R244 VanDerWaalsContact O-CG 3.24Å; N240-R244 WeakPolarHBondContact O-CG 3.41Å; N240-R244 PolarHBondContact O-N 3.42Å; N240-R244 PolarHBondContact OD1-NE 3.32Å; N240-R244 PolarHBondContact OD1-NH2 2.95Å
241Q93.6Very high91.8Very high0 Ų045.8 Ų45.80%023%0.231CC..Hα-helixtrans-63.8-45.2168.7-172.164.83900111R196 L204 F233 S237 T238 I239 R244 I245R196-Q241 HydrophobicContact CG-CB 4.4Å; R196-Q241 HydrophobicContact CG-CG 4.28Å; L204-Q241 HydrophobicContact CD1-CB 4.26Å; L204-Q241 HydrophobicContact CD1-CG 3.43Å; L204-Q241 VanDerWaalsContact CD1-CG 3.43Å; L204-Q241 HydrophobicContact CD2-CG 4.16Å; L204-Q241 HydrophobicContact CG-CG 4.46Å; F233-Q241 PolarHBondContact O-NE2 3.39Å; F233-Q241 PolarHBondContact O-OE1 2.72Å; S237-Q241 WeakPolarHBondContact O-CB 3.35Å; S237-Q241 PolarHBondContact O-N 3.18Å; T238-Q241 WeakPolarHBondContact O-CB 3.42Å; T238-Q241 PolarHBondContact O-N 2.96Å; I239-Q241 VanDerWaalsContact C-N 3.26Å; I239-Q241 PolarHBondContact O-N 3.37Å; Q241-R244 PolarHBondContact O-N 3.35Å; Q241-I245 HydrophobicContact CG-CD1 4.11Å; Q241-I245 VanDerWaalsContact O-CG1 3.29Å; Q241-I245 WeakPolarHBondContact O-CG1 3.42Å; Q241-I245 PolarHBondContact O-N 2.87Å; Q241-I245 VanDerWaalsContact O-N 3.09Å
242I92.1Very high91.3Very high4 Ų446 Ų462%0.02123%0.231CC..Hα-helixtrans-70.2-42.9-179.8-62.2154.2000110.8L204 L205 T238 I239 R244 I245 I246 V268 L269 A272L204-I242 HydrophobicContact CB-CD1 4.29Å; L204-I242 HydrophobicContact CB-CG1 4.21Å; L204-I242 HydrophobicContact CD1-CG1 4.41Å; L205-I242 HydrophobicContact CD2-CD1 3.47Å; L205-I242 VanDerWaalsContact CD2-CD1 3.47Å; L205-I242 HydrophobicContact CD2-CG1 4.37Å; L205-I242 HydrophobicContact CG-CD1 4.27Å; T238-I242 HydrophobicContact CG2-CD1 4.18Å; T238-I242 WeakPolarHBondContact O-CD1 3.33Å; T238-I242 WeakPolarHBondContact O-CG1 3.43Å; T238-I242 PolarHBondContact O-N 3.13Å; I239-I242 PolarHBondContact O-N 2.75Å; I242-R244 VanDerWaalsContact C-N 3.28Å; I242-R244 PolarHBondContact O-N 3.47Å; I242-I245 PolarHBondContact O-N 3.27Å; I242-I246 HydrophobicContact CG2-CG1 4.14Å; I242-I246 WeakPolarHBondContact O-CG1 3.39Å; I242-I246 PolarHBondContact O-N 2.93Å; I242-V268 HydrophobicContact CB-CG1 4.48Å; I242-V268 HydrophobicContact CD1-CG1 3.82Å; I242-V268 HydrophobicContact CG2-CG1 4.2Å; I242-L269 HydrophobicContact CG2-CD2 4.08Å; I242-A272 HydrophobicContact CG2-CB 4.22Å
243E91.9Very high90.8Very high46 Ų4648.4 Ų48.422%0.21525%0.247CC..Hα-helixtrans-51.8-46.4172.4-71-179.8126.200111.8I239 N240 S247 K275I239-E243 HydrophobicContact CG2-CG 4.42Å; I239-E243 PolarHBondContact O-N 3.2Å; N240-E243 WeakPolarHBondContact CA-OE2 3.13Å; N240-E243 PolarHBondContact ND2-OE2 2.89Å; E243-S247 VanDerWaalsContact O-CB 3.3Å; E243-S247 WeakPolarHBondContact O-CB 3.39Å; E243-S247 PolarHBondContact O-N 2.66Å; E243-S247 PolarHBondContact O-OG 3.13Å; E243-K275 WeakPolarHBondContact OE1-CE 3.46Å; E243-K275 IonicContact OE1-NZ 3.44Å; E243-K275 PolarHBondContact OE1-NZ 3.32Å
244R93.9Very high90.3Very high92 Ų9253.9 Ų53.935%0.34728%0.275SS..Hα-helixtrans-66.4-42.8179.5-72.7170.7-171.2-84.61112.5F233 P234 N240 Q241 I242 S247F233-R244 HydrophobicContact CD1-CB 4.4Å; P234-R244 PolarHBondContact O-NE 3.4Å; N240-R244 WeakPolarHBondContact O-CD 3.21Å; N240-R244 VanDerWaalsContact O-CG 3.24Å; N240-R244 WeakPolarHBondContact O-CG 3.41Å; N240-R244 PolarHBondContact O-N 3.42Å; N240-R244 PolarHBondContact OD1-NE 3.32Å; N240-R244 PolarHBondContact OD1-NH2 2.95Å; Q241-R244 PolarHBondContact O-N 3.35Å; I242-R244 VanDerWaalsContact C-N 3.28Å; I242-R244 PolarHBondContact O-N 3.47Å; R244-S247 PolarHBondContact O-N 2.87Å; R244-S247 PolarHBondContact O-OG 3.41Å
245I94.5Very high90Very high1 Ų157 Ų571%0.00529%0.285CS..Hα-helixtrans-60.2-51.4177.1-74.5168.4000110.4L204 W217 F233 Q241 I242 S247 V248 M249L204-I245 HydrophobicContact CD1-CD1 3.78Å; W217-I245 HydrophobicContact CH2-CD1 4.31Å; W217-I245 HydrophobicContact CH2-CG1 4.14Å; W217-I245 HydrophobicContact CH2-CG2 3.69Å; W217-I245 HydrophobicContact CZ2-CD1 3.65Å; W217-I245 HydrophobicContact CZ2-CG1 3.78Å; W217-I245 HydrophobicContact CZ2-CG2 4.14Å; F233-I245 HydrophobicContact CB-CG1 4.42Å; F233-I245 HydrophobicContact CD1-CG1 4.41Å; F233-I245 HydrophobicContact CD2-CG1 3.95Å; F233-I245 HydrophobicContact CE2-CG1 4.28Å; F233-I245 HydrophobicContact CG-CG1 4.02Å; Q241-I245 HydrophobicContact CG-CD1 4.11Å; Q241-I245 VanDerWaalsContact O-CG1 3.29Å; Q241-I245 WeakPolarHBondContact O-CG1 3.42Å; Q241-I245 PolarHBondContact O-N 2.87Å; Q241-I245 VanDerWaalsContact O-N 3.09Å; I242-I245 PolarHBondContact O-N 3.27Å; I245-S247 VanDerWaalsContact C-N 3.34Å; I245-S247 PolarHBondContact O-N 2.89Å; I245-V248 WeakPolarHBondContact O-CG2 3.5Å; I245-V248 PolarHBondContact O-N 2.59Å; I245-M249 HydrophobicContact CG2-CE 3.66Å; I245-M249 HydrophobicContact CG2-SD 3.75Å; I245-M249 WeakPolarHBondContact O-CG 3.45Å
246I92.2Very high89.8Confident7 Ų757.6 Ų57.64%0.03629%0.288CS..Hα-helixtrans-68.5-32.9-177.7-63.3-59.2000111.9I242 V248 M249 L269 A272 L273 L302I242-I246 HydrophobicContact CG2-CG1 4.14Å; I242-I246 WeakPolarHBondContact O-CG1 3.39Å; I242-I246 PolarHBondContact O-N 2.93Å; I246-V248 PolarHBondContact O-N 2.92Å; I246-M249 HydrophobicContact CD1-SD 4.08Å; I246-M249 PolarHBondContact O-N 2.88Å; I246-M249 VanDerWaalsContact O-N 3.12Å; I246-L269 HydrophobicContact CD1-CD2 3.56Å; I246-L269 HydrophobicContact CG1-CD2 3.79Å; I246-A272 HydrophobicContact CB-CB 3.97Å; I246-A272 HydrophobicContact CG1-CB 3.97Å; I246-A272 HydrophobicContact CG2-CB 4.13Å; I246-L273 HydrophobicContact CG2-CD2 3.5Å; I246-L273 HydrophobicContact CG2-CG 3.96Å; I246-L302 HydrophobicContact CD1-CD1 3.89Å; I246-L302 HydrophobicContact CD1-CD2 4.18Å
247S92.1Very high89.5Confident34 Ų3454 Ų5424%0.23826%0.264CS..THydrogen-bonded Turntrans-60.8-15.6178.471.60000115.1E243 R244 I245 Y277 R278E243-S247 VanDerWaalsContact O-CB 3.3Å; E243-S247 WeakPolarHBondContact O-CB 3.39Å; E243-S247 PolarHBondContact O-N 2.66Å; E243-S247 PolarHBondContact O-OG 3.13Å; R244-S247 PolarHBondContact O-N 2.87Å; R244-S247 PolarHBondContact O-OG 3.41Å; I245-S247 VanDerWaalsContact C-N 3.34Å; I245-S247 PolarHBondContact O-N 2.89Å; S247-Y277 CarbonylContact O-C 3.52Å; S247-Y277 WeakPolarHBondContact O-CA 3.47Å; S247-R278 PolarHBondContact O-N 3.32Å
248V93Very high89.3Confident11 Ų1156.1 Ų56.17%0.06727%0.269CS..THydrogen-bonded Turntrans-1145.3177.8-53.70000115.2F233 I245 I246 R278 L280 L283F233-V248 HydrophobicContact CE1-CG2 3.47Å; F233-V248 VanDerWaalsContact CE1-CG2 3.47Å; F233-V248 HydrophobicContact CZ-CG2 3.64Å; I245-V248 WeakPolarHBondContact O-CG2 3.5Å; I245-V248 PolarHBondContact O-N 2.59Å; I246-V248 PolarHBondContact O-N 2.92Å; V248-R278 VanDerWaalsContact CA-O 3.24Å; V248-R278 WeakPolarHBondContact CA-O 3.3Å; V248-R278 WeakPolarHBondContact CB-O 3.5Å; V248-L280 HydrophobicContact CB-CB 4.46Å; V248-L280 HydrophobicContact CB-CD1 4.45Å; V248-L280 HydrophobicContact CG2-CD1 4Å; V248-L280 PolarHBondContact O-N 3.26Å; V248-L283 HydrophobicContact CG1-CD1 4.13Å; V248-L283 HydrophobicContact CG1-CD2 4.33Å; V248-L283 HydrophobicContact CG1-CG 4.31Å
249M88.9Confident89.2Confident20 Ų2055.7 Ų55.710%0.09927%0.267CS..SBendtrans-100.9142179-72.1175.216500111W217 I245 I246 Y277 I300 L302W217-M249 HydrophobicContact CH2-CE 3.47Å; W217-M249 VanDerWaalsContact CH2-CE 3.47Å; W217-M249 HydrophobicContact CZ3-CE 3.38Å; I245-M249 HydrophobicContact CG2-CE 3.66Å; I245-M249 HydrophobicContact CG2-SD 3.75Å; I245-M249 WeakPolarHBondContact O-CG 3.45Å; I246-M249 HydrophobicContact CD1-SD 4.08Å; I246-M249 PolarHBondContact O-N 2.88Å; I246-M249 VanDerWaalsContact O-N 3.12Å; M249-Y277 WeakPolarHBondContact O-CD2 3.45Å; M249-Y277 WeakPolarHBondContact O-CE2 3.24Å; M249-I300 HydrophobicContact CE-CG2 4.13Å; M249-L302 HydrophobicContact CE-CB 4.19Å; M249-L302 HydrophobicContact SD-CB 3.71Å; M249-L302 HydrophobicContact SD-CD1 4.12Å; M249-L302 HydrophobicContact SD-CG 4.44Å
250E84.4Confident88.9Confident130 Ų13051.5 Ų51.561%0.60725%0.246SC*.PPolyproline II helixtrans-52.9145.8162.3-63.6172.3148.600109.6P252 Y277 R301E250-P252 WeakPolarHBondContact O-CD 3.26Å; E250-Y277 WeakPolarHBondContact CG-OH 3.42Å; E250-R301 IonicContact OE2-NH1 2.84Å
251R84.5Confident88.5Confident224 Ų22453.6 Ų53.685%0.84526%0.255SS*.PPolyproline II helixtrans-56.5116.6-175.9-175.2179.9-179.5-176.10.8109.4
252P85.5Confident87.8Confident18 Ų1854.3 Ų54.312%0.11726%0.26CS..PPolyproline II helixtrans-66.8146.3-174.828.2-34.8000110.9E250 D256 I257 L273 L302E250-P252 WeakPolarHBondContact O-CD 3.26Å; P252-D256 HydrophobicContact CB-CB 3.86Å; P252-I257 HydrophobicContact CB-CG1 4.32Å; P252-I257 HydrophobicContact CG-CD1 4.35Å; P252-I257 HydrophobicContact CG-CG1 4.27Å; P252-L273 VanDerWaalsContact CD-CD2 3.45Å; P252-L273 HydrophobicContact CG-CD1 4.19Å; P252-L273 HydrophobicContact CG-CD2 3.92Å; P252-L302 HydrophobicContact CB-CD2 3.54Å; P252-L302 HydrophobicContact CG-CD2 3.85Å
253T88Confident87Confident63 Ų6360.2 Ų60.239%0.38729%0.291SS..PPolyproline II helixtrans-72.2165.5169.664.10000110.7Q255 D256 I257T253-Q255 PolarHBondContact O-N 2.91Å; T253-D256 WeakPolarHBondContact CB-OD2 3.4Å; T253-D256 PolarHBondContact N-OD2 3.15Å; T253-D256 VanDerWaalsContact N-OD2 3.15Å; T253-D256 WeakPolarHBondContact O-CB 3.29Å; T253-D256 PolarHBondContact O-N 3.26Å; T253-D256 VanDerWaalsContact O-N 3.07Å; T253-D256 PolarHBondContact OG1-N 3.43Å; T253-D256 VanDerWaalsContact OG1-N 3.17Å; T253-D256 PolarHBondContact OG1-OD2 3.04Å; T253-I257 PolarHBondContact O-N 3Å
254I85.8Confident86.2Confident117 Ų11764.2 Ų64.260%0.631%0.305SS*.Hα-helixtrans-56.2-42.9173.8-63.8172.2000109.7D256 I257 E258I254-D256 VanDerWaalsContact C-N 3.31Å; I254-D256 PolarHBondContact O-N 2.92Å; I254-I257 WeakPolarHBondContact O-CB 3.33Å; I254-I257 PolarHBondContact O-N 2.77Å; I254-E258 HydrophobicContact CG2-CG 4.27Å; I254-E258 WeakPolarHBondContact O-CG 3.36Å; I254-E258 PolarHBondContact O-N 3.08Å
255Q88.2Confident85.4Confident116 Ų11660 Ų6054%0.54229%0.29SS..Hα-helixtrans-61.1-37.1177.3-64.575.116.400112.3T253 I257 E258 C259T253-Q255 PolarHBondContact O-N 2.91Å; Q255-I257 VanDerWaalsContact C-N 3.25Å; Q255-I257 PolarHBondContact O-N 3.31Å; Q255-E258 PolarHBondContact O-N 2.98Å; Q255-C259 WeakPolarHBondContact O-CB 3.48Å; Q255-C259 PolarHBondContact O-N 2.66Å; Q255-C259 PolarHBondContact O-SG 3.3Å
256D88.6Confident84.7Confident13 Ų1364.8 Ų64.87%0.0731%0.308CS..Hα-helixtrans-68.2-24.4176.4-66.6-48.9000113.6P252 T253 I254 N303 K306P252-D256 HydrophobicContact CB-CB 3.86Å; T253-D256 WeakPolarHBondContact CB-OD2 3.4Å; T253-D256 PolarHBondContact N-OD2 3.15Å; T253-D256 VanDerWaalsContact N-OD2 3.15Å; T253-D256 WeakPolarHBondContact O-CB 3.29Å; T253-D256 PolarHBondContact O-N 3.26Å; T253-D256 VanDerWaalsContact O-N 3.07Å; T253-D256 PolarHBondContact OG1-N 3.43Å; T253-D256 VanDerWaalsContact OG1-N 3.17Å; T253-D256 PolarHBondContact OG1-OD2 3.04Å; I254-D256 VanDerWaalsContact C-N 3.31Å; I254-D256 PolarHBondContact O-N 2.92Å; D256-N303 HydrophobicContact CB-CB 4.05Å; D256-N303 WeakPolarHBondContact OD1-CB 3.22Å; D256-N303 PolarHBondContact OD1-ND2 3.41Å; D256-K306 WeakPolarHBondContact OD1-CD 3.32Å; D256-K306 WeakPolarHBondContact OD1-CE 3.21Å; D256-K306 IonicContact OD1-NZ 3.46Å; D256-K306 PolarHBondContact OD1-NZ 3.49Å; D256-K306 IonicContact OD2-NZ 3.81Å; D256-K306 PolarHBondContact OD2-NZ 2.7Å
257I85.8Confident84.3Confident29 Ų2967 Ų6715%0.14932%0.324CS..Hα-helixtrans-82.6-42.6173.5-61.7173.3000110P252 T253 I254 Q255 L260 R266 L269P252-I257 HydrophobicContact CB-CG1 4.32Å; P252-I257 HydrophobicContact CG-CD1 4.35Å; P252-I257 HydrophobicContact CG-CG1 4.27Å; T253-I257 PolarHBondContact O-N 3Å; I254-I257 WeakPolarHBondContact O-CB 3.33Å; I254-I257 PolarHBondContact O-N 2.77Å; Q255-I257 VanDerWaalsContact C-N 3.25Å; Q255-I257 PolarHBondContact O-N 3.31Å; I257-L260 WeakPolarHBondContact O-CB 3.35Å; I257-L260 PolarHBondContact O-N 3.24Å; I257-R266 HydrophobicContact CG2-CG 3.96Å; I257-L269 HydrophobicContact CG1-CD1 4.33Å; I257-L269 HydrophobicContact CG2-CD1 3.97Å
258E85.7Confident83.9Confident92 Ų9266 Ų6643%0.4332%0.316SS..Hα-helixtrans-66.1-38.4-179.7-70.1176.5145.500112.9I254 Q255 L260 H261I254-E258 HydrophobicContact CG2-CG 4.27Å; I254-E258 WeakPolarHBondContact O-CG 3.36Å; I254-E258 PolarHBondContact O-N 3.08Å; Q255-E258 PolarHBondContact O-N 2.98Å; E258-L260 PolarHBondContact O-N 2.88Å; E258-H261 PolarHBondContact O-N 3.31Å
259C85.2Confident83.5Confident32 Ų3265.5 Ų65.522%0.21631%0.313CS..THydrogen-bonded Turntrans-59.4-10.4173.1-74.70000114.3Q255 H261 N303Q255-C259 WeakPolarHBondContact O-CB 3.48Å; Q255-C259 PolarHBondContact O-N 2.66Å; Q255-C259 PolarHBondContact O-SG 3.3Å; C259-H261 PolarHBondContact O-CD2 3.2Å; C259-H261 VanDerWaalsContact O-CD2 3.29Å; C259-N303 WeakPolarHBondContact CB-OD1 3.4Å; C259-N303 PolarHBondContact SG-ND2 2.86Å
260L82.6Confident83.2Confident3 Ų368.8 Ų68.82%0.01633%0.331CS..THydrogen-bonded Turntrans-83.4-12.9174.5-60.4168.5000113.2E202 L205 S207 I257 E258 S262 L269 L302 P304E202-L260 HydrophobicContact CB-CD2 4.08Å; L205-L260 HydrophobicContact CD1-CD1 4.12Å; S207-L260 WeakPolarHBondContact CB-O 3.16Å; S207-L260 PolarHBondContact OG-O 3.3Å; I257-L260 WeakPolarHBondContact O-CB 3.35Å; I257-L260 PolarHBondContact O-N 3.24Å; E258-L260 PolarHBondContact O-N 2.88Å; L260-S262 PolarHBondContact O-N 3.04Å; L260-L269 HydrophobicContact CD1-CD1 3.63Å; L260-L302 HydrophobicContact CD1-CD1 4.07Å; L260-L302 HydrophobicContact CD1-CD2 4.25Å; L260-L302 HydrophobicContact CD1-CG 4.06Å; L260-P304 HydrophobicContact CD2-CG 4.39Å
261H81.1Confident83.1Confident74 Ų7469.6 Ų69.634%0.34333%0.333SS..  trans45.853.7178.3-57.2-80.1000114S207 N208 R209 E258 C259S207-H261 WeakPolarHBondContact CA-O 3.26Å; S207-H261 PolarHBondContact OG-O 2.62Å; N208-H261 PolarHBondContact N-O 2.89Å; N208-H261 WeakPolarHBondContact OD1-CB 3.38Å; R209-H261 HydrophobicContact CB-CB 4.33Å; R209-H261 PolarHBondContact NH1-NE2 3.37Å; E258-H261 PolarHBondContact O-N 3.31Å; C259-H261 PolarHBondContact O-CD2 3.2Å; C259-H261 VanDerWaalsContact O-CD2 3.29Å
262S79.2Confident83.1Confident15 Ų1559 Ų5911%0.10529%0.294CS..  trans-145.3118.4177.2172.60000111.2L205 L260 G265L205-S262 WeakPolarHBondContact O-CB 3.46Å; L205-S262 PolarHBondContact O-OG 2.89Å; L260-S262 PolarHBondContact O-N 3.04Å; S262-G265 WeakPolarHBondContact O-CA 3.48Å; S262-G265 PolarHBondContact O-N 3.46Å; S262-G265 PolarHBondContact OG-N 3.43Å
263D75.4Confident83.1Confident127 Ų12760.8 Ų60.868%0.67930%0.302SS*.Hα-helixtrans-74-39.5-179-57.7-63.3000112.3G265 R266D263-G265 PolarHBondContact O-N 3.26Å; D263-R266 IonicContact OD1-NH1 2.72Å; D263-R266 PolarHBondContact OD1-NH1 3.2Å
264Y76.4Confident82.8Confident131 Ų13165.3 Ų65.351%0.51432%0.318SS..Hα-helixtrans-57-36.6167.2178.1-115.2000111.3R266 S267 V268Y264-R266 PolarHBondContact O-N 3.39Å; Y264-S267 PolarHBondContact O-N 3.24Å; Y264-S267 PolarHBondContact O-OG 3.28Å; Y264-V268 HydrophobicContact CD1-CG2 4.13Å; Y264-V268 HydrophobicContact CD2-CG2 4.38Å; Y264-V268 HydrophobicContact CE1-CG2 3.64Å; Y264-V268 HydrophobicContact CE2-CG2 3.91Å; Y264-V268 HydrophobicContact CG-CG2 4.48Å
265G76.9Confident82.6Confident2 Ų264.3 Ų64.32%0.02131%0.31CS..Hα-helixtrans-50.6-47.1-178.500000114.6S262 D263 S267 V268 L269S262-G265 WeakPolarHBondContact O-CA 3.48Å; S262-G265 PolarHBondContact O-N 3.46Å; S262-G265 PolarHBondContact OG-N 3.43Å; D263-G265 PolarHBondContact O-N 3.26Å; G265-S267 PolarHBondContact O-N 2.69Å; G265-V268 PolarHBondContact O-N 2.73Å; G265-L269 WeakPolarHBondContact O-CB 3.24Å; G265-L269 VanDerWaalsContact O-CG 3.24Å; G265-L269 WeakPolarHBondContact O-CG 3.43Å; G265-L269 PolarHBondContact O-N 3.22Å
266R80.1Confident82.4Confident103 Ų10363.4 Ų63.439%0.38931%0.314SS..Hα-helixtrans-52.4-56.7-179.8-63.3-173.7-179.995.3-6.9111.2I257 D263 Y264 V268 L269 D270I257-R266 HydrophobicContact CG2-CG 3.96Å; D263-R266 IonicContact OD1-NH1 2.72Å; D263-R266 PolarHBondContact OD1-NH1 3.2Å; Y264-R266 PolarHBondContact O-N 3.39Å; R266-V268 VanDerWaalsContact C-N 3.26Å; R266-V268 PolarHBondContact O-N 3.37Å; R266-V268 VanDerWaalsContact O-N 3.14Å; R266-L269 PolarHBondContact O-N 3.46Å; R266-L269 VanDerWaalsContact O-N 3.09Å; R266-D270 VanDerWaalsContact O-CG 3.26Å; R266-D270 PolarHBondContact O-N 3.36Å; R266-D270 VanDerWaalsContact O-OD2 3.11Å
267S81.9Confident82.5Confident54 Ų5468 Ų6838%0.37833%0.331SS..Hα-helixtrans-62-25.6-176.574.40000115.5Y264 G265 K271Y264-S267 PolarHBondContact O-N 3.24Å; Y264-S267 PolarHBondContact O-OG 3.28Å; G265-S267 PolarHBondContact O-N 2.69Å; S267-K271 WeakPolarHBondContact O-CG 3.35Å
268V83.9Confident82.7Confident11 Ų1174.7 Ų74.77%0.06735%0.354CS..Hα-helixtrans-85-38.9177.1-177.50000110.3L205 I242 Y264 G265 R266 K271 A272L205-V268 HydrophobicContact CD2-CB 4.16Å; L205-V268 HydrophobicContact CD2-CG1 4.32Å; I242-V268 HydrophobicContact CB-CG1 4.48Å; I242-V268 HydrophobicContact CD1-CG1 3.82Å; I242-V268 HydrophobicContact CG2-CG1 4.2Å; Y264-V268 HydrophobicContact CD1-CG2 4.13Å; Y264-V268 HydrophobicContact CD2-CG2 4.38Å; Y264-V268 HydrophobicContact CE1-CG2 3.64Å; Y264-V268 HydrophobicContact CE2-CG2 3.91Å; Y264-V268 HydrophobicContact CG-CG2 4.48Å; G265-V268 PolarHBondContact O-N 2.73Å; R266-V268 VanDerWaalsContact C-N 3.26Å; R266-V268 PolarHBondContact O-N 3.37Å; R266-V268 VanDerWaalsContact O-N 3.14Å; V268-K271 PolarHBondContact O-N 3.31Å; V268-A272 WeakPolarHBondContact O-CB 3.47Å; V268-A272 PolarHBondContact O-N 3.38Å
269L85.8Confident83.1Confident2 Ų272.7 Ų72.71%0.0135%0.349CS..Hα-helixtrans-65.7-43.8176-69.4168.2000111.4L205 I242 I246 I257 L260 G265 R266 K271 A272 L273L205-L269 HydrophobicContact CD1-CD1 3.87Å; L205-L269 HydrophobicContact CD1-CD2 4.28Å; L205-L269 HydrophobicContact CD1-CG 4.04Å; I242-L269 HydrophobicContact CG2-CD2 4.08Å; I246-L269 HydrophobicContact CD1-CD2 3.56Å; I246-L269 HydrophobicContact CG1-CD2 3.79Å; I257-L269 HydrophobicContact CG1-CD1 4.33Å; I257-L269 HydrophobicContact CG2-CD1 3.97Å; L260-L269 HydrophobicContact CD1-CD1 3.63Å; G265-L269 WeakPolarHBondContact O-CB 3.24Å; G265-L269 VanDerWaalsContact O-CG 3.24Å; G265-L269 WeakPolarHBondContact O-CG 3.43Å; G265-L269 PolarHBondContact O-N 3.22Å; R266-L269 PolarHBondContact O-N 3.46Å; R266-L269 VanDerWaalsContact O-N 3.09Å; L269-K271 PolarHBondContact O-N 2.92Å; L269-A272 CarbonylContact O-C 3.55Å; L269-A272 PolarHBondContact O-N 3.23Å; L269-L273 WeakPolarHBondContact O-CB 3.14Å; L269-L273 WeakPolarHBondContact O-CG 3.28Å; L269-L273 PolarHBondContact O-N 3.1Å
270D83.2Confident83.5Confident89 Ų8971.7 Ų71.748%0.47634%0.342SS..Hα-helixtrans-57-36177.6-66.3-36.3000112.6R266R266-D270 VanDerWaalsContact O-CG 3.26Å; R266-D270 PolarHBondContact O-N 3.36Å; R266-D270 VanDerWaalsContact O-OD2 3.11Å
271K82.1Confident84.1Confident146 Ų14675.7 Ų75.764%0.63536%0.357SS*.Hα-helixtrans-76-38.3174.8-67.1175-176.7175.70112.3S267 V268 L269 L273 Q274S267-K271 WeakPolarHBondContact O-CG 3.35Å; V268-K271 PolarHBondContact O-N 3.31Å; L269-K271 PolarHBondContact O-N 2.92Å; K271-L273 VanDerWaalsContact C-N 3.32Å; K271-Q274 PolarHBondContact O-N 3Å
272A84.7Confident84.7Confident3 Ų376.2 Ų76.23%0.02537%0.365CS..Hα-helixtrans-67.2-32.7176.500000112.5I242 I246 V268 L269 Q274 K275I242-A272 HydrophobicContact CG2-CB 4.22Å; I246-A272 HydrophobicContact CB-CB 3.97Å; I246-A272 HydrophobicContact CG1-CB 3.97Å; I246-A272 HydrophobicContact CG2-CB 4.13Å; V268-A272 WeakPolarHBondContact O-CB 3.47Å; V268-A272 PolarHBondContact O-N 3.38Å; L269-A272 CarbonylContact O-C 3.55Å; L269-A272 PolarHBondContact O-N 3.23Å; A272-Q274 PolarHBondContact O-N 2.99Å; A272-K275 WeakPolarHBondContact O-CB 3.33Å; A272-K275 WeakPolarHBondContact O-CG 3.37Å; A272-K275 PolarHBondContact O-N 3.19Å
273L84.2Confident85.4Confident55 Ų5578.6 Ų78.629%0.28838%0.376SS..THydrogen-bonded Turntrans-70.2-8.3178.5-72.4167.7000114.3I246 P252 L269 K271 K275I246-L273 HydrophobicContact CG2-CD2 3.5Å; I246-L273 HydrophobicContact CG2-CG 3.96Å; P252-L273 VanDerWaalsContact CD-CD2 3.45Å; P252-L273 HydrophobicContact CG-CD1 4.19Å; P252-L273 HydrophobicContact CG-CD2 3.92Å; L269-L273 WeakPolarHBondContact O-CB 3.14Å; L269-L273 WeakPolarHBondContact O-CG 3.28Å; L269-L273 PolarHBondContact O-N 3.1Å; K271-L273 VanDerWaalsContact C-N 3.32Å; L273-K275 VanDerWaalsContact C-N 3.28Å
274Q82.7Confident86.4Confident158 Ų15873.3 Ų73.374%0.73835%0.347SS*.THydrogen-bonded Turntrans-81.1-6.1172.2-60.6174.88.200112.8K271 A272K271-Q274 PolarHBondContact O-N 3Å; A272-Q274 PolarHBondContact O-N 2.99Å
275K81.4Confident87.1Confident96 Ų9670.3 Ų70.342%0.41735%0.345SS..SBendtrans-82.6149.1177-56.6-57.6-176.61760111.2E243 A272 L273 Y277E243-K275 WeakPolarHBondContact OE1-CE 3.46Å; E243-K275 IonicContact OE1-NZ 3.44Å; E243-K275 PolarHBondContact OE1-NZ 3.32Å; A272-K275 WeakPolarHBondContact O-CB 3.33Å; A272-K275 WeakPolarHBondContact O-CG 3.37Å; A272-K275 PolarHBondContact O-N 3.19Å; L273-K275 VanDerWaalsContact C-N 3.28Å; K275-Y277 PolarHBondContact O-N 3.01Å
276P83.9Confident87.5Confident97 Ų9778.7 Ų78.763%0.6339%0.39SS*.PPolyproline II helixtrans-65.7125.4177.926.9-34.8000111.7
277Y89.8Confident88Confident108 Ų10880 Ų8042%0.42441%0.405SS..PPolyproline II helixtrans-67.2140.1174.8170-126.6000112.4S247 M249 E250 K275 P279S247-Y277 CarbonylContact O-C 3.52Å; S247-Y277 WeakPolarHBondContact O-CA 3.47Å; M249-Y277 WeakPolarHBondContact O-CD2 3.45Å; M249-Y277 WeakPolarHBondContact O-CE2 3.24Å; E250-Y277 WeakPolarHBondContact CG-OH 3.42Å; K275-Y277 PolarHBondContact O-N 3.01Å; Y277-P279 HydrophobicContact CE1-CG 3.84Å; Y277-P279 HydrophobicContact CE2-CB 4.45Å; Y277-P279 HydrophobicContact CE2-CG 4.37Å; Y277-P279 WeakPolarHBondContact OH-CB 3.35Å; Y277-P279 WeakPolarHBondContact OH-CG 2.97Å
278R91Very high88.5Confident170 Ų17078.7 Ų78.764%0.64239%0.393SS*.  trans-141.4111.1170.4-62.3-176.8-179.5-172.7-1.9109.3S247 V248 L280S247-R278 PolarHBondContact O-N 3.32Å; V248-R278 VanDerWaalsContact CA-O 3.24Å; V248-R278 WeakPolarHBondContact CA-O 3.3Å; V248-R278 WeakPolarHBondContact CB-O 3.5Å; R278-L280 PolarHBondContact O-N 2.88Å
279P93Very high89Confident50 Ų5080.7 Ų80.733%0.32540%0.403SS..  trans-50.7139.9-173.4-23.327.8000113.2Y277 R281 T282Y277-P279 HydrophobicContact CE1-CG 3.84Å; Y277-P279 HydrophobicContact CE2-CB 4.45Å; Y277-P279 HydrophobicContact CE2-CG 4.37Å; Y277-P279 WeakPolarHBondContact OH-CB 3.35Å; Y277-P279 WeakPolarHBondContact OH-CG 2.97Å; P279-R281 VanDerWaalsContact C-N 3.27Å; P279-R281 HydrophobicContact CB-CG 4.41Å; P279-R281 PolarHBondContact O-N 3.22Å; P279-R281 VanDerWaalsContact O-N 3.09Å; P279-T282 HydrophobicContact CB-CG2 4.25Å; P279-T282 HydrophobicContact CG-CG2 4.36Å; P279-T282 WeakPolarHBondContact O-CB 3.47Å; P279-T282 PolarHBondContact O-N 3.21Å; P279-T282 PolarHBondContact O-OG1 2.74Å
280L94.9Very high89.5Confident11 Ų1185.5 Ų85.56%0.05843%0.426CS..G310 helixtrans-47.2-44.1-174.1179.560.7000114.2L232 F233 V248 R278 T282 L283 F284 L296 E297 I300L232-L280 HydrophobicContact CD1-CD1 4.25Å; L232-L280 HydrophobicContact CD2-CD1 4.47Å; F233-L280 HydrophobicContact CZ-CD1 4.31Å; V248-L280 HydrophobicContact CB-CB 4.46Å; V248-L280 HydrophobicContact CB-CD1 4.45Å; V248-L280 HydrophobicContact CG2-CD1 4Å; V248-L280 PolarHBondContact O-N 3.26Å; R278-L280 PolarHBondContact O-N 2.88Å; L280-T282 PolarHBondContact O-N 2.93Å; L280-L283 HydrophobicContact CD1-CD1 4.14Å; L280-L283 WeakPolarHBondContact O-CB 3.3Å; L280-L283 PolarHBondContact O-N 3.39Å; L280-F284 HydrophobicContact CD1-CE2 4.33Å; L280-F284 HydrophobicContact CG-CE2 4.45Å; L280-F284 WeakPolarHBondContact O-CD2 3.37Å; L280-L296 HydrophobicContact CD2-CD2 4.3Å; L280-L296 HydrophobicContact CD2-CG 4.06Å; L280-E297 HydrophobicContact CD2-CG 4.12Å; L280-I300 HydrophobicContact CD2-CB 3.75Å; L280-I300 HydrophobicContact CD2-CG1 4.16Å; L280-I300 HydrophobicContact CD2-CG2 3.86Å
281R94.5Very high90.1Very high88 Ų8885.2 Ų85.233%0.33242%0.422SS..G310 helixtrans-56.9-25.9175.452.5178.454.8-119.9-3115.1P279 L283 F284 E290 E297P279-R281 VanDerWaalsContact C-N 3.27Å; P279-R281 HydrophobicContact CB-CG 4.41Å; P279-R281 PolarHBondContact O-N 3.22Å; P279-R281 VanDerWaalsContact O-N 3.09Å; R281-L283 PolarHBondContact O-N 3.05Å; R281-F284 PolarHBondContact O-N 3.47Å; R281-E290 IonicContact CZ-OE2 3.48Å; R281-E290 IonicContact NH1-OE1 2.84Å; R281-E290 PolarHBondContact NH1-OE1 3.29Å; R281-E290 VanDerWaalsContact NH1-OE1 3.15Å; R281-E290 IonicContact NH1-OE2 2.69Å; R281-E290 PolarHBondContact NH1-OE2 3.21Å; R281-E290 IonicContact NH2-OE2 2.83Å; R281-E290 PolarHBondContact NH2-OE2 2.96Å; R281-E297 IonicContact CZ-OE1 3.69Å; R281-E297 IonicContact CZ-OE2 3.23Å; R281-E297 IonicContact NE-OE1 2.64Å; R281-E297 PolarHBondContact NE-OE1 3.43Å; R281-E297 IonicContact NE-OE2 3.54Å; R281-E297 IonicContact NH2-OE1 3.88Å; R281-E297 PolarHBondContact NH2-OE1 2.93Å; R281-E297 IonicContact NH2-OE2 2.79Å; R281-E297 PolarHBondContact NH2-OE2 3.4Å
282T94.1Very high90.9Very high85 Ų8578.2 Ų78.252%0.52139%0.391SS..G310 helixtrans-70.6-7.6175.769.70000114.4P279 L280 F284P279-T282 HydrophobicContact CB-CG2 4.25Å; P279-T282 HydrophobicContact CG-CG2 4.36Å; P279-T282 WeakPolarHBondContact O-CB 3.47Å; P279-T282 PolarHBondContact O-N 3.21Å; P279-T282 PolarHBondContact O-OG1 2.74Å; L280-T282 PolarHBondContact O-N 2.93Å; T282-F284 VanDerWaalsContact C-N 3.28Å
283L94.5Very high91.4Very high64 Ų6478.5 Ų78.534%0.33539%0.392SS..G310 helixtrans-76.8-16.9168.2-60.8-169.2000113L228 L232 V248 L280 R281L228-L283 WeakPolarHBondContact CD1-O 3.43Å; L232-L283 HydrophobicContact CD1-CD1 3.88Å; V248-L283 HydrophobicContact CG1-CD1 4.13Å; V248-L283 HydrophobicContact CG1-CD2 4.33Å; V248-L283 HydrophobicContact CG1-CG 4.31Å; L280-L283 HydrophobicContact CD1-CD1 4.14Å; L280-L283 WeakPolarHBondContact O-CB 3.3Å; L280-L283 PolarHBondContact O-N 3.39Å; R281-L283 PolarHBondContact O-N 3.05Å
284F95Very high92.1Very high16 Ų1679 Ų797%0.0740%0.395CS..SBendtrans-107.5160-172.2-61-88.1000111.3L227 L228 L232 L280 R281 T282 I288 L293 L296L227-F284 HydrophobicContact CB-CD1 4.16Å; L227-F284 HydrophobicContact CB-CE1 3.8Å; L227-F284 HydrophobicContact CD1-CE1 4.49Å; L228-F284 HydrophobicContact CB-CD1 4.34Å; L228-F284 HydrophobicContact CB-CE1 3.86Å; L228-F284 HydrophobicContact CD1-CD1 4.25Å; L228-F284 HydrophobicContact CD1-CE1 4.44Å; L232-F284 HydrophobicContact CD1-CE2 4.23Å; L232-F284 HydrophobicContact CD1-CZ 3.76Å; L280-F284 HydrophobicContact CD1-CE2 4.33Å; L280-F284 HydrophobicContact CG-CE2 4.45Å; L280-F284 WeakPolarHBondContact O-CD2 3.37Å; R281-F284 PolarHBondContact O-N 3.47Å; T282-F284 VanDerWaalsContact C-N 3.28Å; F284-I288 HydrophobicContact CB-CG1 4.18Å; F284-I288 HydrophobicContact CD1-CG1 4.44Å; F284-L293 HydrophobicContact CB-CD2 4.05Å; F284-L293 HydrophobicContact CD1-CD2 4.2Å; F284-L293 HydrophobicContact CD2-CD2 3.73Å; F284-L293 HydrophobicContact CE2-CD2 4.25Å; F284-L293 HydrophobicContact CG-CD2 3.71Å; F284-L296 HydrophobicContact CE1-CD2 4.26Å; F284-L296 HydrophobicContact CE2-CD2 3.55Å; F284-L296 HydrophobicContact CZ-CD2 3.33Å
285S90.6Very high92.8Very high68 Ų6871.5 Ų71.548%0.47636%0.36SS..  trans-84.1148.7173.747.30000111.3N287 I288S285-N287 VanDerWaalsContact CB-OD1 3.23Å; S285-N287 WeakPolarHBondContact CB-OD1 3.48Å; S285-N287 PolarHBondContact O-N 2.9Å; S285-N287 PolarHBondContact OG-OD1 3.23Å; S285-I288 WeakPolarHBondContact O-CG1 3.34Å; S285-I288 PolarHBondContact O-N 2.94Å; S285-I288 VanDerWaalsContact O-N 3.11Å
286N86.4Confident93.6Very high178 Ų17867 Ų6795%0.95234%0.34SS*.THydrogen-bonded Turntrans-63.98.4-176.1-55.29.9000115.3
287N90.2Very high94.2Very high132 Ų13264.2 Ų64.271%0.70632%0.319SS*.THydrogen-bonded Turntrans-114.76.5178.671-31000113.2S285S285-N287 VanDerWaalsContact CB-OD1 3.23Å; S285-N287 WeakPolarHBondContact CB-OD1 3.48Å; S285-N287 PolarHBondContact O-N 2.9Å; S285-N287 PolarHBondContact OG-OD1 3.23Å
288I92.4Very high94.6Very high25 Ų2560.5 Ų60.513%0.12831%0.307CS..SBendtrans-74.9142.8171.2-62.5-61.2000109.6L227 F284 S285 E290 A292 L293L227-I288 HydrophobicContact CD1-CG2 4.35Å; L227-I288 HydrophobicContact CD2-CG2 4.01Å; F284-I288 HydrophobicContact CB-CG1 4.18Å; F284-I288 HydrophobicContact CD1-CG1 4.44Å; S285-I288 WeakPolarHBondContact O-CG1 3.34Å; S285-I288 PolarHBondContact O-N 2.94Å; S285-I288 VanDerWaalsContact O-N 3.11Å; I288-E290 PolarHBondContact O-N 3.46Å; I288-A292 HydrophobicContact CG2-CB 4.45Å; I288-L293 HydrophobicContact CB-CD1 4.48Å; I288-L293 HydrophobicContact CB-CG 4.48Å; I288-L293 HydrophobicContact CG2-CD1 4.44Å; I288-L293 HydrophobicContact CG2-CD2 3.94Å; I288-L293 HydrophobicContact CG2-CG 3.92Å
289D94.3Very high95Very high53 Ų5352.4 Ų52.428%0.28328%0.276SS..  trans-54.5115.7173.3179.5-6.8000110.7K116 Q291 A292 L293 Y318K116-D289 VanDerWaalsContact CE-OD2 3.23Å; K116-D289 WeakPolarHBondContact CE-OD2 3.35Å; K116-D289 IonicContact NZ-OD2 3.49Å; D289-Q291 PolarHBondContact O-N 3.17Å; D289-Q291 VanDerWaalsContact OD1-CB 3.25Å; D289-Q291 WeakPolarHBondContact OD1-CB 3.09Å; D289-Q291 PolarHBondContact OD1-N 3.35Å; D289-A292 HydrophobicContact CB-CB 4.11Å; D289-A292 WeakPolarHBondContact O-CA 3.38Å; D289-A292 WeakPolarHBondContact O-CB 3.47Å; D289-A292 PolarHBondContact O-N 3.33Å; D289-L293 PolarHBondContact O-N 2.62Å; D289-L293 VanDerWaalsContact O-N 3.14Å; D289-Y318 WeakPolarHBondContact OD2-CD2 3.5Å; D289-Y318 WeakPolarHBondContact OD2-CE2 3.39Å
290E95.8Very high95.2Very high103 Ų10350.5 Ų50.548%0.48126%0.263SS..Hα-helixtrans-61.5-24179.4-78.9-69.6156.600112.6R281 I288 A292 L293 N294R281-E290 IonicContact CZ-OE2 3.48Å; R281-E290 IonicContact NH1-OE1 2.84Å; R281-E290 PolarHBondContact NH1-OE1 3.29Å; R281-E290 VanDerWaalsContact NH1-OE1 3.15Å; R281-E290 IonicContact NH1-OE2 2.69Å; R281-E290 PolarHBondContact NH1-OE2 3.21Å; R281-E290 IonicContact NH2-OE2 2.83Å; R281-E290 PolarHBondContact NH2-OE2 2.96Å; I288-E290 PolarHBondContact O-N 3.46Å; E290-A292 VanDerWaalsContact C-N 3.29Å; E290-L293 PolarHBondContact O-N 3.26Å; E290-N294 VanDerWaalsContact O-CB 3.3Å; E290-N294 WeakPolarHBondContact O-CB 3.49Å; E290-N294 PolarHBondContact O-N 3.4Å
291Q97.3Very high95.2Very high83 Ų8353.8 Ų53.839%0.38828%0.275SS..Hα-helixtrans-67.4-34.8171.1-58-62.1-21.700111D289 L295 H316 Y318D289-Q291 PolarHBondContact O-N 3.17Å; D289-Q291 VanDerWaalsContact OD1-CB 3.25Å; D289-Q291 WeakPolarHBondContact OD1-CB 3.09Å; D289-Q291 PolarHBondContact OD1-N 3.35Å; Q291-L295 WeakPolarHBondContact O-CB 3.41Å; Q291-L295 PolarHBondContact O-N 3.42Å; Q291-H316 PolarHBondContact O-CE1 3.12Å; Q291-H316 PolarHBondContact OE1-CE1 3.07Å; Q291-Y318 HydrophobicContact CB-CD2 4.18Å
292A97.5Very high95.1Very high0 Ų050.2 Ų50.20%026%0.262CS..Hα-helixtrans-68-41.4174.200000111.5L227 I288 D289 E290 L296 Y318L227-A292 HydrophobicContact CD1-CB 3.71Å; L227-A292 HydrophobicContact CD2-CB 3.72Å; L227-A292 HydrophobicContact CG-CB 4.37Å; I288-A292 HydrophobicContact CG2-CB 4.45Å; D289-A292 HydrophobicContact CB-CB 4.11Å; D289-A292 WeakPolarHBondContact O-CA 3.38Å; D289-A292 WeakPolarHBondContact O-CB 3.47Å; D289-A292 PolarHBondContact O-N 3.33Å; E290-A292 VanDerWaalsContact C-N 3.29Å; A292-L296 VanDerWaalsContact O-CB 3.25Å; A292-L296 WeakPolarHBondContact O-CB 3.37Å; A292-L296 PolarHBondContact O-N 3.14Å; A292-Y318 HydrophobicContact CB-CD2 3.6Å; A292-Y318 HydrophobicContact CB-CE1 4.42Å; A292-Y318 HydrophobicContact CB-CE2 3.3Å; A292-Y318 HydrophobicContact CB-CG 4.3Å
293L96.8Very high95Very high8 Ų846.6 Ų46.64%0.04224%0.24CC..Hα-helixtrans-67.1-43.6176.5-65.3-179.1000111.9F284 I288 D289 E290 L295 L296 E297F284-L293 HydrophobicContact CB-CD2 4.05Å; F284-L293 HydrophobicContact CD1-CD2 4.2Å; F284-L293 HydrophobicContact CD2-CD2 3.73Å; F284-L293 HydrophobicContact CE2-CD2 4.25Å; F284-L293 HydrophobicContact CG-CD2 3.71Å; I288-L293 HydrophobicContact CB-CD1 4.48Å; I288-L293 HydrophobicContact CB-CG 4.48Å; I288-L293 HydrophobicContact CG2-CD1 4.44Å; I288-L293 HydrophobicContact CG2-CD2 3.94Å; I288-L293 HydrophobicContact CG2-CG 3.92Å; D289-L293 PolarHBondContact O-N 2.62Å; D289-L293 VanDerWaalsContact O-N 3.14Å; E290-L293 PolarHBondContact O-N 3.26Å; L293-L295 PolarHBondContact O-N 2.84Å; L293-L296 WeakPolarHBondContact O-CB 3.42Å; L293-L296 PolarHBondContact O-N 3.18Å; L293-E297 WeakPolarHBondContact O-CB 3.1Å; L293-E297 WeakPolarHBondContact O-CG 3.48Å; L293-E297 PolarHBondContact O-N 2.99Å
294N97.6Very high94.9Very high66 Ų6644 Ų4435%0.35323%0.226SC..Hα-helixtrans-62.4-43.2177.4-173.4-81.9000112E290 L296 N298 H316E290-N294 VanDerWaalsContact O-CB 3.3Å; E290-N294 WeakPolarHBondContact O-CB 3.49Å; E290-N294 PolarHBondContact O-N 3.4Å; N294-L296 VanDerWaalsContact C-N 3.35Å; N294-N298 PolarHBondContact O-N 3.47Å; N294-N298 VanDerWaalsContact O-N 3.16Å; N294-N298 PolarHBondContact O-ND2 3.08Å; N294-N298 PolarHBondContact OD1-ND2 2.89Å; N294-H316 PolarHBondContact OD1-NE2 2.83Å
295L98.3Very high94.8Very high0 Ų047.8 Ų47.80%024%0.244CC..Hα-helixtrans-63.9-41.2175-174.754.9000111.6F119 L223 Q291 L293 N298 M299 F308 A313 H316 Y318F119-L295 HydrophobicContact CD1-CD2 4.17Å; F119-L295 HydrophobicContact CE1-CD2 3.82Å; F119-L295 HydrophobicContact CE1-CG 4.48Å; L223-L295 HydrophobicContact CD2-CB 4.31Å; L223-L295 HydrophobicContact CD2-CD2 4.27Å; L223-L295 HydrophobicContact CD2-CG 4.16Å; Q291-L295 WeakPolarHBondContact O-CB 3.41Å; Q291-L295 PolarHBondContact O-N 3.42Å; L293-L295 PolarHBondContact O-N 2.84Å; L295-N298 PolarHBondContact O-N 2.95Å; L295-M299 HydrophobicContact CD1-CE 3.91Å; L295-M299 HydrophobicContact CG-CE 4.13Å; L295-M299 WeakPolarHBondContact O-CG 3.37Å; L295-M299 PolarHBondContact O-N 3.14Å; L295-F308 HydrophobicContact CD1-CD2 3.82Å; L295-F308 HydrophobicContact CD1-CE2 3.97Å; L295-A313 HydrophobicContact CD1-CB 3.99Å; L295-H316 HydrophobicContact CD1-CB 3.93Å; L295-H316 HydrophobicContact CD2-CB 4.46Å; L295-Y318 HydrophobicContact CD2-CD1 3.81Å; L295-Y318 HydrophobicContact CD2-CG 4.3Å
296L98.1Very high95Very high1 Ų149.9 Ų49.91%0.00525%0.245CC..Hα-helixtrans-63.6-48.2177.117865.9000112.4G220 L223 L232 L280 F284 A292 L293 N294 N298 M299 I300G220-L296 WeakPolarHBondContact O-CD1 3.21Å; L223-L296 HydrophobicContact CB-CD1 4.45Å; L223-L296 HydrophobicContact CD2-CB 4.12Å; L232-L296 HydrophobicContact CD2-CD1 4.37Å; L280-L296 HydrophobicContact CD2-CD2 4.3Å; L280-L296 HydrophobicContact CD2-CG 4.06Å; F284-L296 HydrophobicContact CE1-CD2 4.26Å; F284-L296 HydrophobicContact CE2-CD2 3.55Å; F284-L296 HydrophobicContact CZ-CD2 3.33Å; A292-L296 VanDerWaalsContact O-CB 3.25Å; A292-L296 WeakPolarHBondContact O-CB 3.37Å; A292-L296 PolarHBondContact O-N 3.14Å; L293-L296 WeakPolarHBondContact O-CB 3.42Å; L293-L296 PolarHBondContact O-N 3.18Å; N294-L296 VanDerWaalsContact C-N 3.35Å; L296-N298 PolarHBondContact O-N 3.22Å; L296-M299 PolarHBondContact O-N 3.07Å; L296-I300 HydrophobicContact CD1-CG1 3.73Å; L296-I300 HydrophobicContact CG-CG1 4.32Å; L296-I300 WeakPolarHBondContact O-CG1 3.46Å; L296-I300 PolarHBondContact O-N 3.5Å
297E97.1Very high95.5Very high40 Ų4041.6 Ų41.619%0.18720%0.2CC..Hα-helixtrans-60.6-31.3178.1-74.8175.5154.200111.6L280 R281 L293 R301L280-E297 HydrophobicContact CD2-CG 4.12Å; R281-E297 IonicContact CZ-OE1 3.69Å; R281-E297 IonicContact CZ-OE2 3.23Å; R281-E297 IonicContact NE-OE1 2.64Å; R281-E297 PolarHBondContact NE-OE1 3.43Å; R281-E297 IonicContact NE-OE2 3.54Å; R281-E297 IonicContact NH2-OE1 3.88Å; R281-E297 PolarHBondContact NH2-OE1 2.93Å; R281-E297 IonicContact NH2-OE2 2.79Å; R281-E297 PolarHBondContact NH2-OE2 3.4Å; L293-E297 WeakPolarHBondContact O-CB 3.1Å; L293-E297 WeakPolarHBondContact O-CG 3.48Å; L293-E297 PolarHBondContact O-N 2.99Å; E297-R301 WeakPolarHBondContact O-CD 3.29Å; E297-R301 PolarHBondContact O-NE 3.06Å
298N97.7Very high95.9Very high30 Ų3037.4 Ų37.416%0.1618%0.176CC..Hα-helixtrans-84.3-7.2175.3-69.8-45.5000115.1N294 L295 L296 R301 R307 F308N294-N298 PolarHBondContact O-N 3.47Å; N294-N298 VanDerWaalsContact O-N 3.16Å; N294-N298 PolarHBondContact O-ND2 3.08Å; N294-N298 PolarHBondContact OD1-ND2 2.89Å; L295-N298 PolarHBondContact O-N 2.95Å; L296-N298 PolarHBondContact O-N 3.22Å; N298-R301 PolarHBondContact OD1-NH2 2.87Å; N298-R307 WeakPolarHBondContact O-CA 3.41Å; N298-F308 HydrophobicContact CB-CD1 3.75Å; N298-F308 HydrophobicContact CB-CD2 3.87Å; N298-F308 HydrophobicContact CB-CE1 3.59Å; N298-F308 HydrophobicContact CB-CE2 3.72Å; N298-F308 HydrophobicContact CB-CG 3.89Å; N298-F308 HydrophobicContact CB-CZ 3.58Å; N298-F308 PolarHBondContact O-N 3.02Å
299M98.2Very high96.2Very high0 Ų038 Ų380%018%0.181CC..Hα-helixtrans-95.8-36.5167.3-69-175.4174.600112.7F119 L123 I216 L219 L295 L296 R301 R307 A313F119-M299 HydrophobicContact CE1-CE 3.8Å; F119-M299 HydrophobicContact CE1-SD 4.27Å; F119-M299 HydrophobicContact CZ-CE 3.79Å; F119-M299 HydrophobicContact CZ-SD 3.78Å; L123-M299 HydrophobicContact CD2-CE 4.14Å; I216-M299 HydrophobicContact CG2-CB 4.14Å; I216-M299 HydrophobicContact CG2-CG 3.79Å; I216-M299 HydrophobicContact CG2-SD 4.49Å; L219-M299 HydrophobicContact CB-SD 4.01Å; L295-M299 HydrophobicContact CD1-CE 3.91Å; L295-M299 HydrophobicContact CG-CE 4.13Å; L295-M299 WeakPolarHBondContact O-CG 3.37Å; L295-M299 PolarHBondContact O-N 3.14Å; L296-M299 PolarHBondContact O-N 3.07Å; M299-R301 VanDerWaalsContact C-N 3.33Å; M299-R301 PolarHBondContact O-N 2.89Å; M299-R301 VanDerWaalsContact O-N 3.14Å; M299-R307 WeakPolarHBondContact O-CD 3.29Å; M299-R307 WeakPolarHBondContact O-CG 3.39Å; M299-A313 HydrophobicContact CE-CB 3.4Å; M299-A313 VanDerWaalsContact CE-CB 3.4Å
300I97.3Very high96.4Very high9 Ų935.6 Ų35.65%0.04617%0.168CC..  trans-90.165.7-177.3-56.5-56.6000110.4W217 L232 F233 M249 L280 L296W217-I300 HydrophobicContact CD2-CD1 4.27Å; W217-I300 HydrophobicContact CE3-CD1 4.13Å; W217-I300 HydrophobicContact CH2-CD1 4.29Å; W217-I300 HydrophobicContact CH2-CG2 3.79Å; W217-I300 HydrophobicContact CZ2-CD1 4.45Å; W217-I300 HydrophobicContact CZ3-CB 4.33Å; W217-I300 HydrophobicContact CZ3-CD1 4.14Å; W217-I300 HydrophobicContact CZ3-CG2 3.81Å; L232-I300 HydrophobicContact CD2-CD1 4.42Å; L232-I300 HydrophobicContact CD2-CG1 4.34Å; F233-I300 HydrophobicContact CE2-CD1 4.44Å; F233-I300 HydrophobicContact CE2-CG2 4.05Å; F233-I300 HydrophobicContact CZ-CG2 3.98Å; M249-I300 HydrophobicContact CE-CG2 4.13Å; L280-I300 HydrophobicContact CD2-CB 3.75Å; L280-I300 HydrophobicContact CD2-CG1 4.16Å; L280-I300 HydrophobicContact CD2-CG2 3.86Å; L296-I300 HydrophobicContact CD1-CG1 3.73Å; L296-I300 HydrophobicContact CG-CG1 4.32Å; L296-I300 WeakPolarHBondContact O-CG1 3.46Å; L296-I300 PolarHBondContact O-N 3.5Å
301R95.1Very high96.5Very high80 Ų8034.6 Ų34.630%0.30216%0.163SC..  trans-109.1142.9169.7-55.7-63-173168.6-3.5110.3E250 E297 N298 M299 K306 R307E250-R301 IonicContact OE2-NH1 2.84Å; E297-R301 WeakPolarHBondContact O-CD 3.29Å; E297-R301 PolarHBondContact O-NE 3.06Å; N298-R301 PolarHBondContact OD1-NH2 2.87Å; M299-R301 VanDerWaalsContact C-N 3.33Å; M299-R301 PolarHBondContact O-N 2.89Å; M299-R301 VanDerWaalsContact O-N 3.14Å; R301-K306 HydrophobicContact CB-CB 4.22Å; R301-K306 HydrophobicContact CG-CB 4.41Å; R301-R307 HydrophobicContact CB-CG 3.92Å; R301-R307 PolarHBondContact O-NE 2.87Å; R301-R307 PolarHBondContact O-NH2 3.01Å
302L92.9Very high96.5Very high13 Ų1335.4 Ų35.47%0.06817%0.167CC..SBendtrans-61-61.8178.4-176.564000110.2P201 I246 M249 P252 L260 P304 R307P201-L302 HydrophobicContact CB-CD1 3.89Å; P201-L302 HydrophobicContact CG-CD1 3.91Å; I246-L302 HydrophobicContact CD1-CD1 3.89Å; I246-L302 HydrophobicContact CD1-CD2 4.18Å; M249-L302 HydrophobicContact CE-CB 4.19Å; M249-L302 HydrophobicContact SD-CB 3.71Å; M249-L302 HydrophobicContact SD-CD1 4.12Å; M249-L302 HydrophobicContact SD-CG 4.44Å; P252-L302 HydrophobicContact CB-CD2 3.54Å; P252-L302 HydrophobicContact CG-CD2 3.85Å; L260-L302 HydrophobicContact CD1-CD1 4.07Å; L260-L302 HydrophobicContact CD1-CD2 4.25Å; L260-L302 HydrophobicContact CD1-CG 4.06Å; L302-P304 WeakPolarHBondContact O-CD 3.18Å; L302-R307 PolarHBondContact O-NH2 3.28Å
303N92.3Very high96.6Very high10 Ų1035.4 Ų35.45%0.05317%0.167CC..SBendtrans-61.5120.8176.2-176.4-20.8000110.4D256 C259 E305 K306D256-N303 HydrophobicContact CB-CB 4.05Å; D256-N303 WeakPolarHBondContact OD1-CB 3.22Å; D256-N303 PolarHBondContact OD1-ND2 3.41Å; C259-N303 WeakPolarHBondContact CB-OD1 3.4Å; C259-N303 PolarHBondContact SG-ND2 2.86Å; N303-E305 VanDerWaalsContact C-N 3.28Å; N303-E305 PolarHBondContact O-N 2.99Å; N303-E305 PolarHBondContact OD1-N 3.03Å; N303-K306 HydrophobicContact CB-CB 4.3Å; N303-K306 HydrophobicContact CB-CD 4.13Å; N303-K306 HydrophobicContact CB-CG 4.14Å; N303-K306 PolarHBondContact O-N 2.74Å
304P93Very high96.6Very high8 Ų835 Ų355%0.05217%0.165CC..G310 helixtrans-59-37.5-179.2-23.433.6000113.1E202 Y213 L260 L302 K306 R307E202-P304 HydrophobicContact CG-CG 4.35Å; Y213-P304 WeakPolarHBondContact CD1-O 3.27Å; Y213-P304 HydrophobicContact CD2-CB 4.13Å; Y213-P304 WeakPolarHBondContact CD2-O 3.43Å; Y213-P304 HydrophobicContact CG-CB 4.27Å; L260-P304 HydrophobicContact CD2-CG 4.39Å; L302-P304 WeakPolarHBondContact O-CD 3.18Å; P304-K306 PolarHBondContact O-N 3.08Å; P304-R307 WeakPolarHBondContact O-CB 3.45Å; P304-R307 PolarHBondContact O-N 2.61Å; P304-R307 VanDerWaalsContact O-N 3.1Å
305E92.3Very high96.6Very high96 Ų9637.2 Ų37.245%0.44918%0.177SC..G310 helixtrans-74.3-12.2-175.2-58.8-178164.500112.6R209 N303R209-E305 IonicContact CZ-OE1 3.61Å; R209-E305 IonicContact NH1-OE1 2.89Å; R209-E305 PolarHBondContact NH1-OE1 2.94Å; R209-E305 IonicContact NH2-OE1 3.43Å; R209-E305 PolarHBondContact NH2-OE1 3.35Å; N303-E305 VanDerWaalsContact C-N 3.28Å; N303-E305 PolarHBondContact O-N 2.99Å; N303-E305 PolarHBondContact OD1-N 3.03Å
306K95.2Very high96.6Very high112 Ų11238.2 Ų38.249%0.48718%0.182SC..G310 helixtrans-91-3.4171-67.5-176.4179170.60113.9D256 R301 N303 P304D256-K306 WeakPolarHBondContact OD1-CD 3.32Å; D256-K306 WeakPolarHBondContact OD1-CE 3.21Å; D256-K306 IonicContact OD1-NZ 3.46Å; D256-K306 PolarHBondContact OD1-NZ 3.49Å; D256-K306 IonicContact OD2-NZ 3.81Å; D256-K306 PolarHBondContact OD2-NZ 2.7Å; R301-K306 HydrophobicContact CB-CB 4.22Å; R301-K306 HydrophobicContact CG-CB 4.41Å; N303-K306 HydrophobicContact CB-CB 4.3Å; N303-K306 HydrophobicContact CB-CD 4.13Å; N303-K306 HydrophobicContact CB-CG 4.14Å; N303-K306 PolarHBondContact O-N 2.74Å; P304-K306 PolarHBondContact O-N 3.08Å
307R97Very high96.6Very high4 Ų440.8 Ų40.82%0.01520%0.199CC..SBendtrans-82.4148.5176.2-57.7179.9-161.4141.711.6110.2E202 Y213 I216 N298 M299 R301 L302 P304E202-R307 IonicContact OE1-CZ 3.09Å; E202-R307 IonicContact OE1-NH1 2.68Å; E202-R307 PolarHBondContact OE1-NH1 2.94Å; E202-R307 IonicContact OE1-NH2 3.86Å; E202-R307 PolarHBondContact OE1-NH2 2.85Å; E202-R307 IonicContact OE2-CZ 2.69Å; E202-R307 IonicContact OE2-NH1 3.12Å; E202-R307 PolarHBondContact OE2-NH1 2.9Å; E202-R307 IonicContact OE2-NH2 2.82Å; E202-R307 PolarHBondContact OE2-NH2 3.3Å; Y213-R307 HydrophobicContact CD1-CB 4.03Å; Y213-R307 WeakPolarHBondContact CE1-O 3.18Å; Y213-R307 PolarHBondContact O-NH1 2.83Å; I216-R307 HydrophobicContact CG2-CB 4.22Å; N298-R307 WeakPolarHBondContact O-CA 3.41Å; M299-R307 WeakPolarHBondContact O-CD 3.29Å; M299-R307 WeakPolarHBondContact O-CG 3.39Å; R301-R307 HydrophobicContact CB-CG 3.92Å; R301-R307 PolarHBondContact O-NE 2.87Å; R301-R307 PolarHBondContact O-NH2 3.01Å; L302-R307 PolarHBondContact O-NH2 3.28Å; P304-R307 WeakPolarHBondContact O-CB 3.45Å; P304-R307 PolarHBondContact O-N 2.61Å; P304-R307 VanDerWaalsContact O-N 3.1Å
308F98.1Very high96.7Very high44 Ų4438.9 Ų38.919%0.19319%0.191CC..PPolyproline II helixtrans-55.3146.3170.5-842.4000112.4I216 L295 N298 Q312 A313 H316I216-F308 WeakPolarHBondContact CG1-O 3.36Å; I216-F308 VanDerWaalsContact CG2-O 3.3Å; I216-F308 WeakPolarHBondContact CG2-O 3.42Å; L295-F308 HydrophobicContact CD1-CD2 3.82Å; L295-F308 HydrophobicContact CD1-CE2 3.97Å; N298-F308 HydrophobicContact CB-CD1 3.75Å; N298-F308 HydrophobicContact CB-CD2 3.87Å; N298-F308 HydrophobicContact CB-CE1 3.59Å; N298-F308 HydrophobicContact CB-CE2 3.72Å; N298-F308 HydrophobicContact CB-CG 3.89Å; N298-F308 HydrophobicContact CB-CZ 3.58Å; N298-F308 PolarHBondContact O-N 3.02Å; F308-Q312 VanDerWaalsContact CA-OE1 3.32Å; F308-Q312 HydrophobicContact CB-CB 4.02Å; F308-Q312 HydrophobicContact CD1-CB 4.25Å; F308-Q312 HydrophobicContact CD2-CB 4.19Å; F308-Q312 HydrophobicContact CG-CB 3.91Å; F308-A313 HydrophobicContact CD2-CB 4.48Å; F308-H316 AromaticContact CE2-CD2 3.89Å
309T98.1Very high96.7Very high39 Ų3937.5 Ų37.524%0.23918%0.183CC..PPolyproline II helixtrans-73.3166.1160.184.20000110.4Y213 E311 Q312 A313Y213-T309 HydrophobicContact CE1-CG2 4.3Å; T309-E311 WeakPolarHBondContact CB-OE2 3.2Å; T309-E311 PolarHBondContact O-N 3.14Å; T309-E311 PolarHBondContact OG1-N 3.2Å; T309-E311 PolarHBondContact OG1-OE2 3.2Å; T309-Q312 PolarHBondContact O-N 3.09Å; T309-Q312 PolarHBondContact OG1-N 3.09Å; T309-A313 PolarHBondContact O-N 3.43Å
310V98.2Very high96.6Very high2 Ų243.2 Ų43.21%0.01221%0.21CC..Hα-helixtrans-64.7-30.1176.164.80000112L123 V126 K127 H130 I216 L314L123-V310 HydrophobicContact CB-CG2 4.37Å; L123-V310 HydrophobicContact CD2-CG2 3.93Å; L123-V310 VanDerWaalsContact O-CG2 3.26Å; L123-V310 WeakPolarHBondContact O-CG2 3.29Å; V126-V310 HydrophobicContact CB-CG2 4.11Å; V126-V310 HydrophobicContact CG1-CB 4.32Å; V126-V310 HydrophobicContact CG1-CG2 4.03Å; K127-V310 HydrophobicContact CB-CG1 3.99Å; K127-V310 HydrophobicContact CB-CG2 4.03Å; K127-V310 HydrophobicContact CG-CG1 4.32Å; H130-V310 HydrophobicContact CB-CG1 4.38Å; I216-V310 HydrophobicContact CD1-CB 3.98Å; V310-L314 HydrophobicContact CG2-CD1 4.2Å; V310-L314 WeakPolarHBondContact O-CB 3.42Å; V310-L314 WeakPolarHBondContact O-CD1 3.47Å; V310-L314 VanDerWaalsContact O-CG 3.24Å; V310-L314 WeakPolarHBondContact O-CG 3.47Å; V310-L314 PolarHBondContact O-N 3.02Å
311E97.8Very high96.5Very high81 Ų8148.1 Ų48.138%0.37924%0.236SC..Hα-helixtrans-68.4-41.1173-57.473.8-161.400112.2T309 L314 N315T309-E311 WeakPolarHBondContact CB-OE2 3.2Å; T309-E311 PolarHBondContact O-N 3.14Å; T309-E311 PolarHBondContact OG1-N 3.2Å; T309-E311 PolarHBondContact OG1-OE2 3.2Å; E311-L314 PolarHBondContact O-N 2.92Å; E311-N315 WeakPolarHBondContact O-CB 3.37Å; E311-N315 VanDerWaalsContact O-CG 3.26Å; E311-N315 PolarHBondContact O-N 3.04Å; E311-N315 VanDerWaalsContact O-N 3.1Å; E311-N315 PolarHBondContact O-ND2 3.02Å
312Q98.3Very high96.6Very high100 Ų10047.1 Ų47.147%0.46723%0.234SC..Hα-helixtrans-64.2-43.4174.1-70.6175-46.100111.1F308 T309 L314 N315 H316F308-Q312 VanDerWaalsContact CA-OE1 3.32Å; F308-Q312 HydrophobicContact CB-CB 4.02Å; F308-Q312 HydrophobicContact CD1-CB 4.25Å; F308-Q312 HydrophobicContact CD2-CB 4.19Å; F308-Q312 HydrophobicContact CG-CB 3.91Å; T309-Q312 PolarHBondContact O-N 3.09Å; T309-Q312 PolarHBondContact OG1-N 3.09Å; Q312-L314 VanDerWaalsContact C-N 3.34Å; Q312-L314 PolarHBondContact O-N 2.72Å; Q312-N315 CarbonylContact O-C 3.56Å; Q312-N315 PolarHBondContact O-N 3.44Å; Q312-H316 PolarHBondContact O-N 2.9Å
313A98.5Very high96.8Very high0 Ų049.5 Ų49.50%024%0.242CC..Hα-helixtrans-65.7-32.817600000113.6L123 L295 M299 F308 T309 N315 H316L123-A313 HydrophobicContact CD1-CB 4.32Å; L123-A313 HydrophobicContact CD2-CB 3.67Å; L295-A313 HydrophobicContact CD1-CB 3.99Å; M299-A313 HydrophobicContact CE-CB 3.4Å; M299-A313 VanDerWaalsContact CE-CB 3.4Å; F308-A313 HydrophobicContact CD2-CB 4.48Å; T309-A313 PolarHBondContact O-N 3.43Å; A313-N315 VanDerWaalsContact C-N 3.33Å; A313-H316 WeakPolarHBondContact O-CB 3.37Å
314L98.2Very high96.9Very high0 Ų052.2 Ų52.20%026%0.257CS..Hα-helixtrans-73-24.4174-79.8165.5000113.3Y120 L123 R124 K127 V310 E311 Q312 H316 R323 E328Y120-L314 HydrophobicContact CD2-CD2 3.79Å; Y120-L314 HydrophobicContact CE2-CD2 3.9Å; L123-L314 HydrophobicContact CB-CD1 4.38Å; L123-L314 HydrophobicContact CB-CD2 3.4Å; L123-L314 VanDerWaalsContact CB-CD2 3.4Å; L123-L314 HydrophobicContact CB-CG 3.75Å; L123-L314 HydrophobicContact CD1-CD2 4.06Å; L123-L314 HydrophobicContact CD1-CG 4.35Å; L123-L314 HydrophobicContact CG-CD2 4.34Å; R124-L314 HydrophobicContact CG-CD2 4.38Å; K127-L314 HydrophobicContact CB-CD1 3.95Å; K127-L314 HydrophobicContact CD-CD1 3.69Å; K127-L314 HydrophobicContact CG-CD1 4.27Å; V310-L314 HydrophobicContact CG2-CD1 4.2Å; V310-L314 WeakPolarHBondContact O-CB 3.42Å; V310-L314 WeakPolarHBondContact O-CD1 3.47Å; V310-L314 VanDerWaalsContact O-CG 3.24Å; V310-L314 WeakPolarHBondContact O-CG 3.47Å; V310-L314 PolarHBondContact O-N 3.02Å; E311-L314 PolarHBondContact O-N 2.92Å; Q312-L314 VanDerWaalsContact C-N 3.34Å; Q312-L314 PolarHBondContact O-N 2.72Å; L314-H316 VanDerWaalsContact C-N 3.33Å; L314-R323 WeakPolarHBondContact O-CD 3.42Å; L314-R323 PolarHBondContact O-NE 3.21Å; L314-E328 WeakPolarHBondContact CD1-OE1 3.24Å; L314-E328 WeakPolarHBondContact CD2-OE1 3.35Å
315N97.7Very high97Very high113 Ų11355.8 Ų55.860%0.60428%0.28SS*.THydrogen-bonded Turntrans-96.617.4177.9-63.3-11.8000112.3E311 Q312 A313 R323E311-N315 WeakPolarHBondContact O-CB 3.37Å; E311-N315 VanDerWaalsContact O-CG 3.26Å; E311-N315 PolarHBondContact O-N 3.04Å; E311-N315 VanDerWaalsContact O-N 3.1Å; E311-N315 PolarHBondContact O-ND2 3.02Å; Q312-N315 CarbonylContact O-C 3.56Å; Q312-N315 PolarHBondContact O-N 3.44Å; A313-N315 VanDerWaalsContact C-N 3.33Å; N315-R323 PolarHBondContact OD1-NE 3.3Å; N315-R323 PolarHBondContact OD1-NH2 3.33Å
316H98.5Very high97.1Very high21 Ų2156.3 Ų56.310%0.09729%0.294CS..SBendtrans-94.2138.4178.3-169.5-82.7000111.6Q291 N294 L295 F308 Q312 A313 L314 Y318 V319Q291-H316 PolarHBondContact O-CE1 3.12Å; Q291-H316 PolarHBondContact OE1-CE1 3.07Å; N294-H316 PolarHBondContact OD1-NE2 2.83Å; L295-H316 HydrophobicContact CD1-CB 3.93Å; L295-H316 HydrophobicContact CD2-CB 4.46Å; F308-H316 AromaticContact CE2-CD2 3.89Å; Q312-H316 PolarHBondContact O-N 2.9Å; A313-H316 WeakPolarHBondContact O-CB 3.37Å; L314-H316 VanDerWaalsContact C-N 3.33Å; H316-Y318 PolarHBondContact ND1-N 2.89Å; H316-Y318 VanDerWaalsContact ND1-N 3.18Å; H316-Y318 PolarHBondContact O-N 3.36Å; H316-V319 WeakPolarHBondContact O-CG2 3.46Å; H316-V319 PolarHBondContact O-N 3.34Å
317S98Very high97.1Very high54 Ų5452.1 Ų52.138%0.37828%0.279SS..THydrogen-bonded Turntrans-59.2-17-174.2-65.20000115.3V319 E320S317-V319 PolarHBondContact O-N 3.36Å; S317-E320 WeakPolarHBondContact CA-OE2 3.39Å; S317-E320 VanDerWaalsContact CB-OE2 3.24Å; S317-E320 WeakPolarHBondContact CB-OE2 3.35Å; S317-E320 PolarHBondContact O-N 2.99Å; S317-E320 PolarHBondContact OG-OE2 2.9Å
318Y98.3Very high97Very high1 Ų152.6 Ų52.60%0.00428%0.281CS..THydrogen-bonded Turntrans-60.3-29.9171.1-175.4-113.1000113.7K116 L223 D289 Q291 A292 L295 H316K116-Y318 HydrophobicContact CD-CD2 4.37Å; K116-Y318 HydrophobicContact CD-CE2 4.15Å; K116-Y318 WeakPolarHBondContact CD-O 2.98Å; K116-Y318 WeakPolarHBondContact CE-O 3.21Å; K116-Y318 HydrophobicContact CG-CD1 4.41Å; K116-Y318 HydrophobicContact CG-CD2 4.07Å; K116-Y318 HydrophobicContact CG-CE1 3.96Å; K116-Y318 HydrophobicContact CG-CE2 3.54Å; K116-Y318 HydrophobicContact CG-CG 4.47Å; K116-Y318 VanDerWaalsContact CG-CZ 3.49Å; K116-Y318 VanDerWaalsContact CG-O 3.29Å; K116-Y318 WeakPolarHBondContact CG-O 3.5Å; L223-Y318 HydrophobicContact CD1-CE1 3.74Å; D289-Y318 WeakPolarHBondContact OD2-CD2 3.5Å; D289-Y318 WeakPolarHBondContact OD2-CE2 3.39Å; Q291-Y318 HydrophobicContact CB-CD2 4.18Å; A292-Y318 HydrophobicContact CB-CD2 3.6Å; A292-Y318 HydrophobicContact CB-CE1 4.42Å; A292-Y318 HydrophobicContact CB-CE2 3.3Å; A292-Y318 HydrophobicContact CB-CG 4.3Å; L295-Y318 HydrophobicContact CD2-CD1 3.81Å; L295-Y318 HydrophobicContact CD2-CG 4.3Å; H316-Y318 PolarHBondContact ND1-N 2.89Å; H316-Y318 VanDerWaalsContact ND1-N 3.18Å; H316-Y318 PolarHBondContact O-N 3.36Å
319V97.4Very high96.9Very high0 Ų054.1 Ų54.10%029%0.291CS..SBendtrans-113.85.4-179.1-63.40000114F119 Y120 L123 H316 S317 D321 F322 R323F119-V319 HydrophobicContact CD1-CG1 4.37Å; Y120-V319 HydrophobicContact CD2-CB 4.4Å; L123-V319 HydrophobicContact CD1-CG1 4.26Å; L123-V319 HydrophobicContact CD1-CG2 4.42Å; H316-V319 WeakPolarHBondContact O-CG2 3.46Å; H316-V319 PolarHBondContact O-N 3.34Å; S317-V319 PolarHBondContact O-N 3.36Å; V319-D321 VanDerWaalsContact C-N 3.32Å; V319-D321 PolarHBondContact O-N 3.17Å; V319-F322 PolarHBondContact O-N 2.8Å; V319-F322 VanDerWaalsContact O-N 3.11Å; V319-R323 PolarHBondContact O-N 3.47Å
320E96.9Very high96.8Very high120 Ų12055.7 Ų55.756%0.56130%0.3SS*.G310 helixtrans-60.4-37.7-176.1-178.6166.1-166.800112.8S317 F322 R323S317-E320 WeakPolarHBondContact CA-OE2 3.39Å; S317-E320 VanDerWaalsContact CB-OE2 3.24Å; S317-E320 WeakPolarHBondContact CB-OE2 3.35Å; S317-E320 PolarHBondContact O-N 2.99Å; S317-E320 PolarHBondContact OG-OE2 2.9Å; E320-F322 PolarHBondContact O-N 3.15Å; E320-R323 WeakPolarHBondContact O-CB 3.49Å; E320-R323 PolarHBondContact O-N 3.4Å
321D95.1Very high96.6Very high113 Ų11357.4 Ų57.460%0.60431%0.309SS*.G310 helixtrans-52.4-23.4174.3-57.2-44.7000114.3K116 V319K116-D321 IonicContact NZ-OD2 3.57Å; K116-D321 PolarHBondContact NZ-OD2 3.01Å; V319-D321 VanDerWaalsContact C-N 3.32Å; V319-D321 PolarHBondContact O-N 3.17Å
322F96.3Very high96.2Very high58 Ų5862.6 Ų62.625%0.25433%0.33SS..G310 helixtrans-115.44-177-63.2-76.2000113.6V113 K116 F117 Y120 V319 E320 D324V113-F322 HydrophobicContact CG2-CZ 3.83Å; K116-F322 HydrophobicContact CB-CD2 4.03Å; K116-F322 HydrophobicContact CB-CE2 3.64Å; F117-F322 HydrophobicContact CB-CD1 4.26Å; F117-F322 HydrophobicContact CB-CD2 4.41Å; F117-F322 HydrophobicContact CB-CE1 3.87Å; F117-F322 HydrophobicContact CB-CE2 4.06Å; F117-F322 HydrophobicContact CB-CZ 3.76Å; F117-F322 AromaticContact CD2-CD1 3.49Å; F117-F322 HydrophobicContact CD2-CD1 3.49Å; F117-F322 VanDerWaalsContact CD2-CD1 3.49Å; F117-F322 AromaticContact CD2-CE1 3.71Å; F117-F322 HydrophobicContact CD2-CE1 3.71Å; F117-F322 HydrophobicContact CD2-CG 4.06Å; F117-F322 HydrophobicContact CD2-CZ 4.45Å; F117-F322 HydrophobicContact CE2-CD1 4.25Å; F117-F322 HydrophobicContact CG-CD1 4.24Å; F117-F322 HydrophobicContact CG-CE1 4.04Å; F117-F322 HydrophobicContact CG-CZ 4.43Å; Y120-F322 HydrophobicContact CD1-CB 3.62Å; Y120-F322 HydrophobicContact CE1-CB 4.1Å; Y120-F322 WeakPolarHBondContact CE1-O 3.42Å; Y120-F322 HydrophobicContact CG-CB 3.9Å; Y120-F322 PolarHBondContact OH-O 2.92Å; V319-F322 PolarHBondContact O-N 2.8Å; V319-F322 VanDerWaalsContact O-N 3.11Å; E320-F322 PolarHBondContact O-N 3.15Å; F322-D324 PolarHBondContact O-N 2.93Å; F322-D324 VanDerWaalsContact O-N 3.15Å
323R97Very high95.8Very high63 Ų6364.6 Ų64.624%0.23834%0.34CS..  trans-69.3106.2-168.7-170.787.3-166.387.3-17.9112.6L314 N315 V319 E320 P325 E328L314-R323 WeakPolarHBondContact O-CD 3.42Å; L314-R323 PolarHBondContact O-NE 3.21Å; N315-R323 PolarHBondContact OD1-NE 3.3Å; N315-R323 PolarHBondContact OD1-NH2 3.33Å; V319-R323 PolarHBondContact O-N 3.47Å; E320-R323 WeakPolarHBondContact O-CB 3.49Å; E320-R323 PolarHBondContact O-N 3.4Å; R323-P325 HydrophobicContact CG-CG 4.46Å; R323-E328 IonicContact CZ-OE1 2.67Å; R323-E328 VanDerWaalsContact CZ-OE1 3.31Å; R323-E328 IonicContact CZ-OE2 3.57Å; R323-E328 IonicContact NH1-OE1 2.94Å; R323-E328 PolarHBondContact NH1-OE1 3.11Å; R323-E328 IonicContact NH1-OE2 2.77Å; R323-E328 PolarHBondContact NH1-OE2 2.93Å; R323-E328 IonicContact NH2-OE1 3.54Å; R323-E328 PolarHBondContact NH2-OE1 3.36Å; R323-E328 IonicContact NH2-OE2 3.59Å; R323-E328 PolarHBondContact NH2-OE2 3.03Å
324D95.7Very high95.3Very high67 Ų6768.3 Ų68.336%0.35836%0.364SS..  trans-123.895.4167.8174.410.2000110.8Y120 F322 S326 S327Y120-D324 PolarHBondContact OH-N 3.05Å; Y120-D324 PolarHBondContact OH-O 3.27Å; F322-D324 PolarHBondContact O-N 2.93Å; F322-D324 VanDerWaalsContact O-N 3.15Å; D324-S326 PolarHBondContact O-N 3.48Å; D324-S326 WeakPolarHBondContact OD1-CA 3.42Å; D324-S326 VanDerWaalsContact OD1-CB 3.28Å; D324-S326 WeakPolarHBondContact OD1-CB 3.37Å; D324-S326 PolarHBondContact OD1-N 3.04Å; D324-S326 PolarHBondContact OD1-OG 2.93Å; D324-S326 PolarHBondContact OD2-OG 2.96Å; D324-S327 PolarHBondContact O-N 3.41Å; D324-S327 VanDerWaalsContact O-N 3.17Å; D324-S327 PolarHBondContact O-OG 3.16Å; D324-S327 PolarHBondContact OD1-N 3.49Å; D324-S327 WeakPolarHBondContact OD2-CB 3.5Å
325P95.4Very high94.9Very high84 Ų8468.6 Ų68.655%0.54537%0.366SS..G310 helixtrans-59.9-25.4176.8-24.235.3000114.4R323 S327 E328R323-P325 HydrophobicContact CG-CG 4.46Å; P325-S327 VanDerWaalsContact C-N 3.29Å; P325-S327 PolarHBondContact O-N 2.93Å; P325-E328 PolarHBondContact O-N 3.38Å
326S94.6Very high94.4Very high107 Ų10768.1 Ų68.175%0.74837%0.367SS*.G310 helixtrans-70.7-28.3179800000112.1D324 E328D324-S326 PolarHBondContact O-N 3.48Å; D324-S326 WeakPolarHBondContact OD1-CA 3.42Å; D324-S326 VanDerWaalsContact OD1-CB 3.28Å; D324-S326 WeakPolarHBondContact OD1-CB 3.37Å; D324-S326 PolarHBondContact OD1-N 3.04Å; D324-S326 PolarHBondContact OD1-OG 2.93Å; D324-S326 PolarHBondContact OD2-OG 2.96Å; S326-E328 VanDerWaalsContact C-N 3.27Å; S326-E328 PolarHBondContact O-N 2.91Å
327S93.8Very high93.6Very high24 Ų2468 Ų6817%0.16837%0.368CS..G310 helixtrans-77.6-5.8174.580.80000114.4Y120 R124 D324 P325 I329Y120-S327 PolarHBondContact OH-OG 3.02Å; R124-S327 VanDerWaalsContact CZ-OG 3.29Å; R124-S327 PolarHBondContact NE-O 2.69Å; R124-S327 PolarHBondContact NE-OG 3.18Å; R124-S327 PolarHBondContact NH2-O 2.89Å; R124-S327 PolarHBondContact NH2-OG 3.28Å; D324-S327 PolarHBondContact O-N 3.41Å; D324-S327 VanDerWaalsContact O-N 3.17Å; D324-S327 PolarHBondContact O-OG 3.16Å; D324-S327 PolarHBondContact OD1-N 3.49Å; D324-S327 WeakPolarHBondContact OD2-CB 3.5Å; P325-S327 VanDerWaalsContact C-N 3.29Å; P325-S327 PolarHBondContact O-N 2.93Å; S327-I329 PolarHBondContact O-N 3.27Å; S327-I329 VanDerWaalsContact O-N 3.15Å
328E95.7Very high93Very high13 Ų1369.3 Ų69.36%0.06137%0.37CS..  trans-91.768.3-173.6-58.9-160.3154.100113R124 K127 L314 R323 P325 S326 V330R124-E328 HydrophobicContact CG-CG 4.15Å; K127-E328 HydrophobicContact CD-CB 4.2Å; K127-E328 IonicContact NZ-OE2 3.59Å; K127-E328 PolarHBondContact NZ-OE2 3.17Å; L314-E328 WeakPolarHBondContact CD1-OE1 3.24Å; L314-E328 WeakPolarHBondContact CD2-OE1 3.35Å; R323-E328 IonicContact CZ-OE1 2.67Å; R323-E328 VanDerWaalsContact CZ-OE1 3.31Å; R323-E328 IonicContact CZ-OE2 3.57Å; R323-E328 IonicContact NH1-OE1 2.94Å; R323-E328 PolarHBondContact NH1-OE1 3.11Å; R323-E328 IonicContact NH1-OE2 2.77Å; R323-E328 PolarHBondContact NH1-OE2 2.93Å; R323-E328 IonicContact NH2-OE1 3.54Å; R323-E328 PolarHBondContact NH2-OE1 3.36Å; R323-E328 IonicContact NH2-OE2 3.59Å; R323-E328 PolarHBondContact NH2-OE2 3.03Å; P325-E328 PolarHBondContact O-N 3.38Å; S326-E328 VanDerWaalsContact C-N 3.27Å; S326-E328 PolarHBondContact O-N 2.91Å; E328-V330 PolarHBondContact O-N 3.12Å
329I94.9Very high92.3Very high77 Ų7771 Ų7140%0.39538%0.379SS..  trans-52.3134.3174.1-54.5163.5000109.7Y128 S327Y128-I329 HydrophobicContact CD2-CB 4.27Å; Y128-I329 HydrophobicContact CD2-CG2 3.94Å; Y128-I329 WeakPolarHBondContact CD2-O 3.48Å; Y128-I329 HydrophobicContact CE2-CG2 3.82Å; S327-I329 PolarHBondContact O-N 3.27Å; S327-I329 VanDerWaalsContact O-N 3.15Å
330V95.8Very high91.3Very high72 Ų7278.5 Ų78.544%0.43641%0.407SS..  trans-121.1154.2170.1-68.90000110.2K127 S131 E328K127-V330 HydrophobicContact CD-CG1 4.35Å; K127-V330 HydrophobicContact CG-CG1 4.29Å; S131-V330 WeakPolarHBondContact OG-CA 3Å; E328-V330 PolarHBondContact O-N 3.12Å
331L93.9Very high90.1Very high38 Ų3873.4 Ų73.420%0.19938%0.384CS..  trans-75.3134.7169.9-72.8164.3000109.4F68 Y128 S131 H333 V335F68-L331 HydrophobicContact CD1-CD1 4.16Å; F68-L331 HydrophobicContact CE1-CD1 3.76Å; Y128-L331 HydrophobicContact CD1-CD1 4.47Å; Y128-L331 HydrophobicContact CD2-CG 4.21Å; Y128-L331 HydrophobicContact CE1-CD1 4.16Å; Y128-L331 HydrophobicContact CE1-CD2 4.44Å; Y128-L331 HydrophobicContact CE1-CG 4.26Å; Y128-L331 HydrophobicContact CE2-CD2 3.92Å; Y128-L331 HydrophobicContact CE2-CG 3.77Å; Y128-L331 WeakPolarHBondContact OH-CD2 3.46Å; S131-L331 PolarHBondContact OG-N 3.15Å; L331-H333 VanDerWaalsContact C-N 3.31Å; L331-H333 PolarHBondContact O-N 3.49Å; L331-V335 HydrophobicContact CD1-CG2 3.93Å
332K90.9Very high89.1Confident189 Ų18970 Ų7082%0.82237%0.366SS*.SBendtrans-74.7-20.7-178.4-66.7-173.5175.5-173.70113.7
333H89Confident88.3Confident142 Ų14272.7 Ų72.766%0.65738%0.377SS*.SBendtrans-142153.7-175.1-51.6-61.9000109.6L331L331-H333 VanDerWaalsContact C-N 3.31Å; L331-H333 PolarHBondContact O-N 3.49Å
334P89.3Confident87.6Confident78 Ų7873.4 Ų73.451%0.50638%0.383SS..  trans-57.7145.9169.7-2334.4000112.1G132 N133 T164 T336G132-P334 CarbonylContact O-C 3.48Å; G132-P334 WeakPolarHBondContact O-CA 3.42Å; N133-P334 HydrophobicContact CB-CB 4.2Å; T164-P334 HydrophobicContact CG2-CB 3.49Å; T164-P334 VanDerWaalsContact CG2-CB 3.49Å; T164-P334 HydrophobicContact CG2-CG 4.47Å; P334-T336 PolarHBondContact O-N 2.88Å
335V89.1Confident87.3Confident7 Ų772.1 Ų72.14%0.04238%0.376CS..  trans-83115.2176.6164.60000109.9F64 Q67 F68 G132 V134 S162 L331F64-V335 HydrophobicContact CD1-CG1 4.16Å; F64-V335 HydrophobicContact CE1-CG1 3.63Å; Q67-V335 VanDerWaalsContact OE1-CG1 3.28Å; F68-V335 HydrophobicContact CE1-CG2 4.08Å; G132-V335 PolarHBondContact O-N 3.26Å; V134-V335 HydrophobicContact CG2-CB 3.68Å; V134-V335 HydrophobicContact CG2-CG1 4.03Å; V134-V335 HydrophobicContact CG2-CG2 4.28Å; S162-V335 WeakPolarHBondContact CB-O 3.38Å; S162-V335 PolarHBondContact OG-O 3.32Å; L331-V335 HydrophobicContact CD1-CG2 3.93Å
336T86.1Confident87.2Confident103 Ų10370.2 Ų70.263%0.63236%0.364SS*.  trans-86.6124.9165.9-49.30000109.3Q67 P334Q67-T336 PolarHBondContact NE2-O 2.85Å; P334-T336 PolarHBondContact O-N 2.88Å
337P82.9Confident87.1Confident17 Ų1766.8 Ų66.811%0.1134%0.339CS..  trans-62.2144.4171.3-26.237.7000112.4F64 L339 D341F64-P337 HydrophobicContact CZ-CG 4.45Å; P337-L339 VanDerWaalsContact C-N 3.27Å; P337-L339 VanDerWaalsContact CB-O 3.22Å; P337-L339 WeakPolarHBondContact CB-O 3.38Å; P337-L339 PolarHBondContact O-N 3.37Å; P337-D341 HydrophobicContact CB-CB 4.47Å; P337-D341 HydrophobicContact CG-CB 4.15Å
338I84.8Confident87.1Confident82 Ų8269.6 Ų69.642%0.42136%0.359SS..SBendtrans-65.3-32-179.1-60.6171.6000111.8F59 I357F59-I338 HydrophobicContact CE1-CB 4.32Å; F59-I338 HydrophobicContact CZ-CB 4.18Å; F59-I338 HydrophobicContact CZ-CG2 4.12Å; I338-I357 HydrophobicContact CD1-CD1 4.04Å; I338-I357 HydrophobicContact CG2-CD1 4.4Å
339L83.3Confident87Confident38 Ų3872.6 Ų72.620%0.19938%0.375CS..SBendtrans-125.1143.3169.5-64.7175.3000107.1F59 P337 D341 L345 Y350 K353F59-L339 HydrophobicContact CD1-CD1 4.06Å; F59-L339 HydrophobicContact CD2-CD1 4.28Å; F59-L339 HydrophobicContact CE1-CB 3.93Å; F59-L339 HydrophobicContact CE1-CD1 3.59Å; F59-L339 HydrophobicContact CE1-CG 3.72Å; F59-L339 HydrophobicContact CE2-CD1 3.84Å; F59-L339 HydrophobicContact CE2-CG 4.49Å; F59-L339 HydrophobicContact CG-CD1 4.4Å; F59-L339 HydrophobicContact CZ-CB 4.41Å; F59-L339 HydrophobicContact CZ-CD1 3.48Å; F59-L339 VanDerWaalsContact CZ-CD1 3.48Å; F59-L339 HydrophobicContact CZ-CG 3.69Å; P337-L339 VanDerWaalsContact C-N 3.27Å; P337-L339 VanDerWaalsContact CB-O 3.22Å; P337-L339 WeakPolarHBondContact CB-O 3.38Å; P337-L339 PolarHBondContact O-N 3.37Å; L339-D341 PolarHBondContact O-N 3.29Å; L339-L345 HydrophobicContact CB-CD1 4.07Å; L339-L345 HydrophobicContact CD1-CD1 3.98Å; L339-L345 HydrophobicContact CD2-CD1 4.1Å; L339-L345 HydrophobicContact CG-CD1 4.27Å; L339-Y350 HydrophobicContact CD1-CD1 3.83Å; L339-Y350 HydrophobicContact CD1-CE1 4.12Å; L339-K353 HydrophobicContact CD1-CB 4.1Å; L339-K353 HydrophobicContact CD1-CG 4.18Å; L339-K353 HydrophobicContact CD2-CG 4.32Å; L339-K353 HydrophobicContact CG-CG 4.35Å
340R77Confident86.9Confident157 Ų15769.1 Ų69.159%0.59236%0.357SS*.  trans-55.1118.9-178-82.7-153.6-70.9148.4-17.2111.7D342 K343R340-D342 VanDerWaalsContact CB-OD1 3.31Å; R340-D342 WeakPolarHBondContact CB-OD1 3.43Å; R340-D342 WeakPolarHBondContact CD-OD2 3.41Å; R340-D342 IonicContact CZ-OD2 2.71Å; R340-D342 IonicContact NE-OD2 3.6Å; R340-D342 IonicContact NH1-OD2 2.66Å; R340-D342 PolarHBondContact NH1-OD2 3.19Å; R340-D342 PolarHBondContact O-N 3.43Å; R340-K343 PolarHBondContact O-N 2.96Å
341D72.2Confident86.8Confident13 Ų1368.7 Ų68.77%0.0735%0.348CS..THydrogen-bonded Turntrans-72-18.4-176.8-112.3-6.1000112.7R60 R161 P337 L339R60-D341 IonicContact CZ-OD1 2.72Å; R60-D341 IonicContact NE-OD1 3.39Å; R60-D341 PolarHBondContact NE-OD1 3.37Å; R60-D341 IonicContact NE-OD2 2.71Å; R60-D341 IonicContact NH2-OD1 3.53Å; R60-D341 PolarHBondContact NH2-OD1 3.45Å; R161-D341 WeakPolarHBondContact CD-OD2 3.49Å; P337-D341 HydrophobicContact CB-CB 4.47Å; P337-D341 HydrophobicContact CG-CB 4.15Å; L339-D341 PolarHBondContact O-N 3.29Å
342D73.1Confident86.8Confident42 Ų4271.9 Ų71.923%0.22536%0.362CS..THydrogen-bonded Turntrans-83.6-14.517752.8-76000114.6N165 Y184 R340N165-D342 PolarHBondContact ND2-OD1 3.44Å; Y184-D342 WeakPolarHBondContact CE2-O 3.4Å; Y184-D342 PolarHBondContact OH-O 3Å; R340-D342 VanDerWaalsContact CB-OD1 3.31Å; R340-D342 WeakPolarHBondContact CB-OD1 3.43Å; R340-D342 WeakPolarHBondContact CD-OD2 3.41Å; R340-D342 IonicContact CZ-OD2 2.71Å; R340-D342 IonicContact NE-OD2 3.6Å; R340-D342 IonicContact NH1-OD2 2.66Å; R340-D342 PolarHBondContact NH1-OD2 3.19Å; R340-D342 PolarHBondContact O-N 3.43Å
343K79.7Confident87Confident113 Ų11365.7 Ų65.749%0.49134%0.335SS..SBendtrans-113.9130.5174.6-173.9160.3-176155.80111.2Q56 R340 L345 Y350Q56-K343 PolarHBondContact NE2-O 2.9Å; R340-K343 PolarHBondContact O-N 2.96Å; K343-L345 HydrophobicContact CB-CD2 4.48Å; K343-L345 HydrophobicContact CD-CD2 4.14Å; K343-L345 HydrophobicContact CG-CD2 4Å; K343-L345 PolarHBondContact O-N 3Å; K343-Y350 PolarHBondContact O-OH 3.2Å
344Q83Confident87.2Confident79 Ų7959 Ų5937%0.36930%0.304SS..  trans-79.3108165.2-162.7162.22800109.3Q52 T53Q52-Q344 VanDerWaalsContact C-NE2 3.28Å; Q52-Q344 HydrophobicContact CB-CG 3.76Å; T53-Q344 VanDerWaalsContact N-NE2 3.19Å; T53-Q344 PolarHBondContact OG1-NE2 3.37Å
345L89.3Confident87.4Confident40 Ų4056.6 Ų56.621%0.20929%0.285CS..  trans-84.2171.4174-55.8174.4000111.4L339 K343 D349 Y350L339-L345 HydrophobicContact CB-CD1 4.07Å; L339-L345 HydrophobicContact CD1-CD1 3.98Å; L339-L345 HydrophobicContact CD2-CD1 4.1Å; L339-L345 HydrophobicContact CG-CD1 4.27Å; K343-L345 HydrophobicContact CB-CD2 4.48Å; K343-L345 HydrophobicContact CD-CD2 4.14Å; K343-L345 HydrophobicContact CG-CD2 4Å; K343-L345 PolarHBondContact O-N 3Å; L345-D349 HydrophobicContact CB-CB 3.99Å; L345-D349 HydrophobicContact CD1-CB 4.46Å; L345-Y350 HydrophobicContact CB-CE1 4.2Å; L345-Y350 HydrophobicContact CB-CE2 3.92Å; L345-Y350 HydrophobicContact CD1-CE1 4.26Å; L345-Y350 HydrophobicContact CG-CE1 4.5Å; L345-Y350 PolarHBondContact N-OH 3.01Å; L345-Y350 VanDerWaalsContact O-CE2 3.23Å; L345-Y350 WeakPolarHBondContact O-CE2 3.32Å
346S93.2Very high87.6Confident43 Ų4359.3 Ų59.330%0.30130%0.297SS..  trans-68.8159.2177.381.70000111.6S348 D349 Y350S346-S348 PolarHBondContact O-N 3.16Å; S346-S348 WeakPolarHBondContact OG-CB 3.42Å; S346-S348 PolarHBondContact OG-N 3.29Å; S346-D349 WeakPolarHBondContact CA-OD2 3.31Å; S346-D349 WeakPolarHBondContact CB-OD2 3.31Å; S346-D349 PolarHBondContact N-OD2 3.27Å; S346-D349 PolarHBondContact O-N 3.02Å; S346-D349 PolarHBondContact OG-N 3.31Å; S346-D349 PolarHBondContact OG-OD2 3.46Å; S346-Y350 WeakPolarHBondContact O-CD2 3.32Å; S346-Y350 PolarHBondContact O-N 2.91Å
347V92.5Very high87.8Confident36 Ų3655.1 Ų55.122%0.21827%0.271CS..Hα-helixtrans-55.2-33.6170.9171.60000111.7F49 N51 Q52 R351F49-V347 HydrophobicContact CB-CG1 3.78Å; F49-V347 WeakPolarHBondContact O-CG1 3.39Å; N51-V347 VanDerWaalsContact C-CG2 3.48Å; Q52-V347 HydrophobicContact CB-CG2 4.5Å; Q52-V347 HydrophobicContact CG-CG2 3.96Å; V347-R351 WeakPolarHBondContact O-CB 3.33Å; V347-R351 PolarHBondContact O-N 3.3Å; V347-R351 VanDerWaalsContact O-N 3.13Å
348S93.2Very high88.3Confident83 Ų8354.9 Ų54.958%0.5827%0.268SS*.Hα-helixtrans-67.7-45.3179.7-160.20000111.4S346 Y350 R351 Q352S346-S348 PolarHBondContact O-N 3.16Å; S346-S348 WeakPolarHBondContact OG-CB 3.42Å; S346-S348 PolarHBondContact OG-N 3.29Å; S348-Y350 PolarHBondContact O-N 2.96Å; S348-R351 PolarHBondContact O-N 2.77Å; S348-R351 VanDerWaalsContact O-N 3.17Å; S348-Q352 VanDerWaalsContact O-CB 3.31Å; S348-Q352 WeakPolarHBondContact O-CB 3.49Å; S348-Q352 PolarHBondContact O-N 3Å
349D93.6Very high88.7Confident76 Ų7655.5 Ų55.541%0.40628%0.276SS..Hα-helixtrans-60.9-47.4-178.5-53-49.7000111.3L345 S346 R351 K353L345-D349 HydrophobicContact CB-CB 3.99Å; L345-D349 HydrophobicContact CD1-CB 4.46Å; S346-D349 WeakPolarHBondContact CA-OD2 3.31Å; S346-D349 WeakPolarHBondContact CB-OD2 3.31Å; S346-D349 PolarHBondContact N-OD2 3.27Å; S346-D349 PolarHBondContact O-N 3.02Å; S346-D349 PolarHBondContact OG-N 3.31Å; S346-D349 PolarHBondContact OG-OD2 3.46Å; D349-R351 PolarHBondContact O-N 3.32Å; D349-K353 VanDerWaalsContact O-CB 3.31Å; D349-K353 WeakPolarHBondContact O-CB 3.39Å; D349-K353 PolarHBondContact O-N 3.41Å
350Y94Very high89Confident3 Ų358.1 Ų58.11%0.01229%0.287CS..Hα-helixtrans-64.5-37.5176.3-64.4-59.1000112.6A55 Q56 F59 L339 K343 L345 S346 S348 L354A55-Y350 HydrophobicContact CB-CD2 3.78Å; A55-Y350 HydrophobicContact CB-CG 4.25Å; Q56-Y350 HydrophobicContact CB-CD2 4.44Å; Q56-Y350 HydrophobicContact CB-CE1 4.08Å; Q56-Y350 HydrophobicContact CB-CE2 3.74Å; Q56-Y350 HydrophobicContact CG-CE1 3.93Å; Q56-Y350 HydrophobicContact CG-CE2 4.32Å; Q56-Y350 VanDerWaalsContact CG-OH 3.26Å; Q56-Y350 WeakPolarHBondContact CG-OH 3.35Å; Q56-Y350 PolarHBondContact NE2-OH 3.45Å; F59-Y350 HydrophobicContact CB-CD1 3.91Å; F59-Y350 HydrophobicContact CB-CG 4.45Å; F59-Y350 HydrophobicContact CD1-CD1 4.25Å; F59-Y350 HydrophobicContact CD2-CD1 4.45Å; F59-Y350 AromaticContact CG-CD1 3.94Å; F59-Y350 HydrophobicContact CG-CD1 3.94Å; L339-Y350 HydrophobicContact CD1-CD1 3.83Å; L339-Y350 HydrophobicContact CD1-CE1 4.12Å; K343-Y350 PolarHBondContact O-OH 3.2Å; L345-Y350 HydrophobicContact CB-CE1 4.2Å; L345-Y350 HydrophobicContact CB-CE2 3.92Å; L345-Y350 HydrophobicContact CD1-CE1 4.26Å; L345-Y350 HydrophobicContact CG-CE1 4.5Å; L345-Y350 PolarHBondContact N-OH 3.01Å; L345-Y350 VanDerWaalsContact O-CE2 3.23Å; L345-Y350 WeakPolarHBondContact O-CE2 3.32Å; S346-Y350 WeakPolarHBondContact O-CD2 3.32Å; S346-Y350 PolarHBondContact O-N 2.91Å; S348-Y350 PolarHBondContact O-N 2.96Å; Y350-L354 VanDerWaalsContact O-CB 3.25Å; Y350-L354 WeakPolarHBondContact O-CB 3.3Å; Y350-L354 PolarHBondContact O-N 2.8Å
351R93.8Very high89.6Confident63 Ų6353.6 Ų53.624%0.23827%0.272CS..Hα-helixtrans-67.7-52.9178.3-173-178-55.3-170.87.8111.1F49 D86 V347 S348 D349 K353 L354 Y355F49-R351 HydrophobicContact CD1-CB 3.76Å; F49-R351 HydrophobicContact CD1-CG 4.23Å; F49-R351 HydrophobicContact CD2-CB 4.41Å; F49-R351 HydrophobicContact CD2-CG 3.98Å; F49-R351 HydrophobicContact CE1-CB 3.68Å; F49-R351 HydrophobicContact CE1-CG 4.07Å; F49-R351 HydrophobicContact CE2-CB 4.33Å; F49-R351 HydrophobicContact CE2-CG 3.79Å; F49-R351 HydrophobicContact CG-CB 4.14Å; F49-R351 HydrophobicContact CG-CG 4.19Å; F49-R351 HydrophobicContact CZ-CB 3.95Å; F49-R351 HydrophobicContact CZ-CG 3.83Å; D86-R351 PolarHBondContact O-NH1 3.48Å; D86-R351 IonicContact OD2-CZ 2.58Å; D86-R351 IonicContact OD2-NE 3.69Å; D86-R351 IonicContact OD2-NH1 3.99Å; D86-R351 PolarHBondContact OD2-NH1 3.21Å; V347-R351 WeakPolarHBondContact O-CB 3.33Å; V347-R351 PolarHBondContact O-N 3.3Å; V347-R351 VanDerWaalsContact O-N 3.13Å; S348-R351 PolarHBondContact O-N 2.77Å; S348-R351 VanDerWaalsContact O-N 3.17Å; D349-R351 PolarHBondContact O-N 3.32Å; R351-K353 PolarHBondContact O-N 3.19Å; R351-L354 PolarHBondContact O-N 3.25Å; R351-Y355 HydrophobicContact CG-CD2 3.99Å; R351-Y355 HydrophobicContact CG-CE1 4.21Å; R351-Y355 HydrophobicContact CG-CE2 3.44Å; R351-Y355 VanDerWaalsContact CG-CE2 3.44Å; R351-Y355 VanDerWaalsContact O-CG 3.27Å; R351-Y355 PolarHBondContact O-N 3.18Å
352Q93.2Very high90.3Very high105 Ų10558.1 Ų58.149%0.49129%0.291SS..Hα-helixtrans-58-50.3178.91765625.200110.6S348 L354 Y355 E356S348-Q352 VanDerWaalsContact O-CB 3.31Å; S348-Q352 WeakPolarHBondContact O-CB 3.49Å; S348-Q352 PolarHBondContact O-N 3Å; Q352-L354 VanDerWaalsContact C-N 3.34Å; Q352-L354 PolarHBondContact O-N 2.83Å; Q352-Y355 PolarHBondContact O-N 3Å; Q352-Y355 VanDerWaalsContact O-N 3.09Å; Q352-E356 WeakPolarHBondContact CG-OE1 3.46Å; Q352-E356 PolarHBondContact NE2-OE1 3.46Å; Q352-E356 PolarHBondContact O-N 3.23Å
353K93.9Very high91.2Very high60 Ų6058.9 Ų58.926%0.26130%0.303SS..Hα-helixtrans-68-32.5-178.4-163.649.3166172.40113.1F59 L339 D349 R351 E356 I357F59-K353 HydrophobicContact CE2-CB 3.88Å; F59-K353 HydrophobicContact CE2-CG 3.89Å; F59-K353 HydrophobicContact CZ-CB 4.45Å; F59-K353 HydrophobicContact CZ-CG 4.04Å; L339-K353 HydrophobicContact CD1-CB 4.1Å; L339-K353 HydrophobicContact CD1-CG 4.18Å; L339-K353 HydrophobicContact CD2-CG 4.32Å; L339-K353 HydrophobicContact CG-CG 4.35Å; D349-K353 VanDerWaalsContact O-CB 3.31Å; D349-K353 WeakPolarHBondContact O-CB 3.39Å; D349-K353 PolarHBondContact O-N 3.41Å; R351-K353 PolarHBondContact O-N 3.19Å; K353-E356 HydrophobicContact CD-CB 4.32Å; K353-E356 WeakPolarHBondContact CD-OE2 3.36Å; K353-E356 WeakPolarHBondContact CE-OE2 3.24Å; K353-E356 IonicContact NZ-OE2 3.48Å; K353-E356 PolarHBondContact NZ-OE2 2.68Å; K353-I357 HydrophobicContact CG-CD1 4.4Å; K353-I357 WeakPolarHBondContact O-CD1 3.38Å; K353-I357 VanDerWaalsContact O-CG1 3.28Å; K353-I357 WeakPolarHBondContact O-CG1 3.3Å; K353-I357 PolarHBondContact O-N 2.97Å
354L93.5Very high91.7Very high0 Ų058.5 Ų58.50%030%0.302CS..Hα-helixtrans-65.5-40.1171.4-174.863.2000111.6F49 F59 I62 I89 Y350 R351 Q352 I357 I358F49-L354 HydrophobicContact CZ-CD2 3.88Å; F59-L354 HydrophobicContact CD2-CB 4.16Å; I62-L354 HydrophobicContact CB-CD1 4.24Å; I62-L354 HydrophobicContact CD1-CD1 3.68Å; I62-L354 HydrophobicContact CD1-CD2 3.73Å; I62-L354 HydrophobicContact CD1-CG 4.38Å; I62-L354 HydrophobicContact CG2-CD1 3.76Å; I89-L354 HydrophobicContact CD1-CD2 3.84Å; I89-L354 HydrophobicContact CG1-CD2 4.15Å; Y350-L354 VanDerWaalsContact O-CB 3.25Å; Y350-L354 WeakPolarHBondContact O-CB 3.3Å; Y350-L354 PolarHBondContact O-N 2.8Å; R351-L354 PolarHBondContact O-N 3.25Å; Q352-L354 VanDerWaalsContact C-N 3.34Å; Q352-L354 PolarHBondContact O-N 2.83Å; L354-I357 PolarHBondContact O-N 3.48Å; L354-I358 HydrophobicContact CD2-CD1 4.5Å; L354-I358 HydrophobicContact CG-CD1 4.02Å; L354-I358 VanDerWaalsContact O-CG1 3.27Å; L354-I358 WeakPolarHBondContact O-CG1 3.36Å; L354-I358 PolarHBondContact O-N 3.29Å
355Y93.5Very high91.8Very high29 Ų2961.3 Ų61.311%0.11432%0.316CS..Hα-helixtrans-69.6-36.8-179.1-68.7-5.7000112.3F49 K82 D86 I89 R351 Q352 I358 V359F49-Y355 HydrophobicContact CE2-CE1 4.07Å; F49-Y355 HydrophobicContact CZ-CE1 4.27Å; K82-Y355 HydrophobicContact CB-CD1 4.49Å; K82-Y355 HydrophobicContact CB-CE1 4.06Å; K82-Y355 HydrophobicContact CD-CD1 4.25Å; K82-Y355 HydrophobicContact CD-CD2 4.18Å; K82-Y355 HydrophobicContact CD-CE1 3.87Å; K82-Y355 HydrophobicContact CD-CE2 3.8Å; K82-Y355 HydrophobicContact CD-CG 4.39Å; K82-Y355 HydrophobicContact CG-CE1 4.01Å; D86-Y355 PolarHBondContact O-OH 3.27Å; D86-Y355 VanDerWaalsContact OD1-CE2 3.31Å; D86-Y355 WeakPolarHBondContact OD1-CE2 2.82Å; D86-Y355 PolarHBondContact OD1-OH 2.82Å; I89-Y355 HydrophobicContact CD1-CE1 4.03Å; R351-Y355 HydrophobicContact CG-CD2 3.99Å; R351-Y355 HydrophobicContact CG-CE1 4.21Å; R351-Y355 HydrophobicContact CG-CE2 3.44Å; R351-Y355 VanDerWaalsContact CG-CE2 3.44Å; R351-Y355 VanDerWaalsContact O-CG 3.27Å; R351-Y355 PolarHBondContact O-N 3.18Å; Q352-Y355 PolarHBondContact O-N 3Å; Q352-Y355 VanDerWaalsContact O-N 3.09Å; Y355-I358 HydrophobicContact CD1-CD1 4.14Å; Y355-I358 PolarHBondContact O-N 2.99Å; Y355-V359 WeakPolarHBondContact O-CG2 3.45Å; Y355-V359 PolarHBondContact O-N 3.27Å
356E93.4Very high91.8Very high64 Ų6466.5 Ų66.530%0.29934%0.336SS..Hα-helixtrans-55.1-55.2167.6-72.9169.1-158.200111.2Q352 K353 I358 V359 E360Q352-E356 WeakPolarHBondContact CG-OE1 3.46Å; Q352-E356 PolarHBondContact NE2-OE1 3.46Å; Q352-E356 PolarHBondContact O-N 3.23Å; K353-E356 HydrophobicContact CD-CB 4.32Å; K353-E356 WeakPolarHBondContact CD-OE2 3.36Å; K353-E356 WeakPolarHBondContact CE-OE2 3.24Å; K353-E356 IonicContact NZ-OE2 3.48Å; K353-E356 PolarHBondContact NZ-OE2 2.68Å; E356-I358 VanDerWaalsContact C-N 3.26Å; E356-I358 PolarHBondContact O-N 2.98Å; E356-V359 WeakPolarHBondContact O-CA 3.24Å; E356-V359 PolarHBondContact O-N 2.95Å; E356-E360 WeakPolarHBondContact O-CG 3.17Å; E356-E360 PolarHBondContact O-N 3.17Å
357I91.6Very high91.6Very high15 Ų1569.6 Ų69.68%0.07735%0.347CS..Hα-helixtrans-56.9-38.1178.9-67.8165.1000111.7F59 I338 K353 L354 K361F59-I357 HydrophobicContact CE2-CD1 3.86Å; F59-I357 HydrophobicContact CZ-CD1 3.97Å; I338-I357 HydrophobicContact CD1-CD1 4.04Å; I338-I357 HydrophobicContact CG2-CD1 4.4Å; K353-I357 HydrophobicContact CG-CD1 4.4Å; K353-I357 WeakPolarHBondContact O-CD1 3.38Å; K353-I357 VanDerWaalsContact O-CG1 3.28Å; K353-I357 WeakPolarHBondContact O-CG1 3.3Å; K353-I357 PolarHBondContact O-N 2.97Å; L354-I357 PolarHBondContact O-N 3.48Å; I357-K361 WeakPolarHBondContact O-CB 3.15Å; I357-K361 PolarHBondContact O-N 3.47Å
358I91.9Very high91.4Very high11 Ų1176.2 Ų76.26%0.05637%0.368CS..Hα-helixtrans-65.8-40175.3-71.2168.2000111.6V80 L354 Y355 E356 K362V80-I358 HydrophobicContact CB-CD1 4.36Å; V80-I358 HydrophobicContact CB-CG1 4.03Å; V80-I358 HydrophobicContact CG1-CD1 3.56Å; V80-I358 HydrophobicContact CG1-CG1 3.72Å; L354-I358 HydrophobicContact CD2-CD1 4.5Å; L354-I358 HydrophobicContact CG-CD1 4.02Å; L354-I358 VanDerWaalsContact O-CG1 3.27Å; L354-I358 WeakPolarHBondContact O-CG1 3.36Å; L354-I358 PolarHBondContact O-N 3.29Å; Y355-I358 HydrophobicContact CD1-CD1 4.14Å; Y355-I358 PolarHBondContact O-N 2.99Å; E356-I358 VanDerWaalsContact C-N 3.26Å; E356-I358 PolarHBondContact O-N 2.98Å; I358-K362 HydrophobicContact CG2-CD 4.17Å; I358-K362 WeakPolarHBondContact O-CD 3.44Å; I358-K362 WeakPolarHBondContact O-CG 3.48Å; I358-K362 PolarHBondContact O-N 3.18Å
359V92.8Very high91.1Very high96 Ų9679 Ų7958%0.58237%0.37SS*.Hα-helixtrans-72.1-47.8178.9171.10000111Y355 E356 K361 K362 A363Y355-V359 WeakPolarHBondContact O-CG2 3.45Å; Y355-V359 PolarHBondContact O-N 3.27Å; E356-V359 WeakPolarHBondContact O-CA 3.24Å; E356-V359 PolarHBondContact O-N 2.95Å; V359-K361 PolarHBondContact O-N 3.16Å; V359-K362 WeakPolarHBondContact O-CB 3.29Å; V359-K362 PolarHBondContact O-N 3Å; V359-A363 PolarHBondContact O-N 3.38Å
360E91.2Very high90.9Very high92 Ų9280.2 Ų80.243%0.4338%0.375SS..Hα-helixtrans-54.2-50.5175.2-71.3170.4-157.100111.2E356 K362 A363 Q364E356-E360 WeakPolarHBondContact O-CG 3.17Å; E356-E360 PolarHBondContact O-N 3.17Å; E360-K362 VanDerWaalsContact C-N 3.31Å; E360-K362 PolarHBondContact O-N 3.07Å; E360-A363 WeakPolarHBondContact O-CB 3.43Å; E360-A363 PolarHBondContact O-N 3.48Å; E360-A363 VanDerWaalsContact O-N 3.1Å; E360-Q364 WeakPolarHBondContact O-CG 3.46Å; E360-Q364 PolarHBondContact O-N 3.5Å
361K88.4Confident90.6Very high63 Ų6384.3 Ų84.327%0.27440%0.396SS..Hα-helixtrans-63.8-34.2-179.6-169.5167.8-171.4165.50112.9I357 V359 H365I357-K361 WeakPolarHBondContact O-CB 3.15Å; I357-K361 PolarHBondContact O-N 3.47Å; V359-K361 PolarHBondContact O-N 3.16Å; K361-H365 WeakPolarHBondContact O-CB 3.49Å; K361-H365 PolarHBondContact O-N 2.84Å
362K88.2Confident90.3Very high108 Ų10889.5 Ų89.547%0.4742%0.416SS..Hα-helixtrans-67.3-42.5171.6-74.8167.1-177172.80111.6I358 V359 E360 H365 K366I358-K362 HydrophobicContact CG2-CD 4.17Å; I358-K362 WeakPolarHBondContact O-CD 3.44Å; I358-K362 WeakPolarHBondContact O-CG 3.48Å; I358-K362 PolarHBondContact O-N 3.18Å; V359-K362 WeakPolarHBondContact O-CB 3.29Å; V359-K362 PolarHBondContact O-N 3Å; E360-K362 VanDerWaalsContact C-N 3.31Å; E360-K362 PolarHBondContact O-N 3.07Å; K362-H365 PolarHBondContact O-N 2.89Å; K362-K366 PolarHBondContact O-N 3.1Å
363A90.9Very high89.9Confident58 Ų5887.2 Ų87.248%0.47941%0.411SS..Hα-helixtrans-64.1-47.5176.900000111.7V359 E360 H365 K366 M367V359-A363 PolarHBondContact O-N 3.38Å; E360-A363 WeakPolarHBondContact O-CB 3.43Å; E360-A363 PolarHBondContact O-N 3.48Å; E360-A363 VanDerWaalsContact O-N 3.1Å; A363-H365 VanDerWaalsContact C-N 3.31Å; A363-H365 PolarHBondContact O-N 2.82Å; A363-K366 WeakPolarHBondContact O-CB 3.39Å; A363-K366 PolarHBondContact O-N 3.09Å; A363-K366 VanDerWaalsContact O-N 3.15Å; A363-M367 PolarHBondContact O-N 2.99Å
364Q89.4Confident89.4Confident104 Ų10487.6 Ų87.649%0.48642%0.418SS..Hα-helixtrans-57.6-41.3173.9-69.7175.113.900112.1E360 M367 R368E360-Q364 WeakPolarHBondContact O-CG 3.46Å; E360-Q364 PolarHBondContact O-N 3.5Å; Q364-M367 PolarHBondContact O-N 3.07Å; Q364-R368 WeakPolarHBondContact O-CB 3.25Å; Q364-R368 WeakPolarHBondContact O-CG 3.37Å; Q364-R368 PolarHBondContact O-N 3.38Å
365H86.3Confident88.7Confident139 Ų13992 Ų9264%0.64444%0.439SS*.Hα-helixtrans-67-40.5175.9-172.978.8000112.4K361 K362 A363 K369K361-H365 WeakPolarHBondContact O-CB 3.49Å; K361-H365 PolarHBondContact O-N 2.84Å; K362-H365 PolarHBondContact O-N 2.89Å; A363-H365 VanDerWaalsContact C-N 3.31Å; A363-H365 PolarHBondContact O-N 2.82Å; H365-K369 WeakPolarHBondContact O-CB 3.46Å; H365-K369 PolarHBondContact O-N 3.39Å
366K88.6Confident87.8Confident149 Ų14996.1 Ų96.165%0.64846%0.462SS*.Hα-helixtrans-60.9-44.3173.7-173.2-176.2176.6-171.60111.1K362 A363 K369 M370K362-K366 PolarHBondContact O-N 3.1Å; A363-K366 WeakPolarHBondContact O-CB 3.39Å; A363-K366 PolarHBondContact O-N 3.09Å; A363-K366 VanDerWaalsContact O-N 3.15Å; K366-K369 PolarHBondContact O-N 3.23Å; K366-M370 PolarHBondContact O-N 2.9Å
367M89.6Confident86.9Confident108 Ų10898 Ų9853%0.53247%0.474SS..Hα-helixtrans-63.9-50.8177.5-173.960.582.300111.9A363 Q364 K369 M370 L371A363-M367 PolarHBondContact O-N 2.99Å; Q364-M367 PolarHBondContact O-N 3.07Å; M367-K369 PolarHBondContact O-N 3.2Å; M367-M370 WeakPolarHBondContact O-CA 3.46Å; M367-M370 WeakPolarHBondContact O-CB 3.35Å; M367-M370 PolarHBondContact O-N 3.42Å; M367-L371 HydrophobicContact CG-CD1 4.11Å; M367-L371 HydrophobicContact CG-CG 4.49Å; M367-L371 PolarHBondContact O-N 3.3Å; M367-L371 HydrophobicContact SD-CG 4.45Å
368R89.2Confident85.8Confident174 Ų174102.6 Ų102.666%0.65750%0.496SS*.Hα-helixtrans-59.9-30.2176.4-73.7178.2177.8178.51.3113.2Q364 R372Q364-R368 WeakPolarHBondContact O-CB 3.25Å; Q364-R368 WeakPolarHBondContact O-CG 3.37Å; Q364-R368 PolarHBondContact O-N 3.38Å; R368-R372 WeakPolarHBondContact O-CG 3.33Å; R368-R372 PolarHBondContact O-N 3.37Å
369K86.9Confident84.4Confident142 Ų142107.7 Ų107.762%0.61752%0.523SS*.Hα-helixtrans-71.2-40171.8-168.8-156.3169.4-148.30111.6H365 K366 M367 S373H365-K369 WeakPolarHBondContact O-CB 3.46Å; H365-K369 PolarHBondContact O-N 3.39Å; K366-K369 PolarHBondContact O-N 3.23Å; M367-K369 PolarHBondContact O-N 3.2Å; K369-S373 PolarHBondContact O-N 3.35Å; K369-S373 PolarHBondContact O-OG 2.96Å
370M88.5Confident82.8Confident102 Ų102109.7 Ų109.750%0.50252%0.524SS..Hα-helixtrans-65.5-49.1179.5-173.9-178.9-70.600111.7K366 M367 R372 S373 V374K366-M370 PolarHBondContact O-N 2.9Å; M367-M370 WeakPolarHBondContact O-CA 3.46Å; M367-M370 WeakPolarHBondContact O-CB 3.35Å; M367-M370 PolarHBondContact O-N 3.42Å; M370-R372 VanDerWaalsContact C-N 3.34Å; M370-R372 PolarHBondContact O-N 3.14Å; M370-S373 WeakPolarHBondContact CA-OG 3.26Å; M370-S373 PolarHBondContact O-N 2.94Å; M370-S373 PolarHBondContact O-OG 3.14Å; M370-V374 PolarHBondContact O-N 2.98Å; M370-V374 VanDerWaalsContact O-N 3.1Å
371L88.7Confident81.1Confident89 Ų89110 Ų11047%0.46653%0.532SS..Hα-helixtrans-55.7-47.9177.1-66.8167.1000111.3M367 S373 V374 E375M367-L371 HydrophobicContact CG-CD1 4.11Å; M367-L371 HydrophobicContact CG-CG 4.49Å; M367-L371 PolarHBondContact O-N 3.3Å; M367-L371 HydrophobicContact SD-CG 4.45Å; L371-S373 VanDerWaalsContact C-N 3.25Å; L371-S373 PolarHBondContact O-N 2.87Å; L371-V374 WeakPolarHBondContact O-CA 3.42Å; L371-V374 WeakPolarHBondContact O-CB 3.29Å; L371-V374 PolarHBondContact O-N 3.23Å; L371-E375 WeakPolarHBondContact O-CG 3.2Å; L371-E375 PolarHBondContact O-N 3.25Å
372R86.2Confident79.4Confident171 Ų171111 Ų11165%0.64554%0.544SS*.Hα-helixtrans-59.3-29.9174.9-74176.6176-156.1-3.8114.8R368 M370 E375 L376R368-R372 WeakPolarHBondContact O-CG 3.33Å; R368-R372 PolarHBondContact O-N 3.37Å; M370-R372 VanDerWaalsContact C-N 3.34Å; M370-R372 PolarHBondContact O-N 3.14Å; R372-E375 WeakPolarHBondContact CA-OE2 3.31Å; R372-E375 WeakPolarHBondContact CG-OE2 3.45Å; R372-L376 VanDerWaalsContact O-CB 3.31Å; R372-L376 WeakPolarHBondContact O-CB 3.21Å; R372-L376 WeakPolarHBondContact O-CD1 3.24Å; R372-L376 WeakPolarHBondContact O-CG 3.08Å; R372-L376 PolarHBondContact O-N 3.38Å; R372-L376 VanDerWaalsContact O-N 3.12Å
373S84.5Confident77.5Confident57 Ų57107.7 Ų107.740%0.39954%0.54SS..Hα-helixtrans-78.7-21.6172.643.50000113.8K369 M370 L371 N377K369-S373 PolarHBondContact O-N 3.35Å; K369-S373 PolarHBondContact O-OG 2.96Å; M370-S373 WeakPolarHBondContact CA-OG 3.26Å; M370-S373 PolarHBondContact O-N 2.94Å; M370-S373 PolarHBondContact O-OG 3.14Å; L371-S373 VanDerWaalsContact C-N 3.25Å; L371-S373 PolarHBondContact O-N 2.87Å; S373-N377 WeakPolarHBondContact O-CB 3.24Å; S373-N377 PolarHBondContact O-N 3.12Å; S373-N377 PolarHBondContact O-ND2 2.93Å
374V83.7Confident75.4Confident68 Ų68111.1 Ų111.141%0.41255%0.55SS.*Hα-helixtrans-75.7-51.5169.4178.20000109.4M370 L371 L376 N377 E378M370-V374 PolarHBondContact O-N 2.98Å; M370-V374 VanDerWaalsContact O-N 3.1Å; L371-V374 WeakPolarHBondContact O-CA 3.42Å; L371-V374 WeakPolarHBondContact O-CB 3.29Å; L371-V374 PolarHBondContact O-N 3.23Å; V374-L376 VanDerWaalsContact C-N 3.27Å; V374-L376 PolarHBondContact O-N 3.14Å; V374-N377 WeakPolarHBondContact O-CA 3.09Å; V374-N377 PolarHBondContact O-N 3.39Å; V374-E378 HydrophobicContact CG1-CG 4.16Å; V374-E378 WeakPolarHBondContact CG1-OE1 3.5Å; V374-E378 PolarHBondContact O-N 2.97Å
375E78.7Confident73.3Confident94 Ų94111 Ų11144%0.43956%0.561SS.*Hα-helixtrans-49.4-45.8174.2-66.3158.5-158.900111.8L371 R372 N377 N379L371-E375 WeakPolarHBondContact O-CG 3.2Å; L371-E375 PolarHBondContact O-N 3.25Å; R372-E375 WeakPolarHBondContact CA-OE2 3.31Å; R372-E375 WeakPolarHBondContact CG-OE2 3.45Å; E375-N377 VanDerWaalsContact C-N 3.31Å; E375-N377 PolarHBondContact O-N 3.31Å; E375-N379 WeakPolarHBondContact O-CB 3.48Å; E375-N379 PolarHBondContact O-N 3.35Å; E375-N379 VanDerWaalsContact O-N 3.16Å; E375-N379 PolarHBondContact O-ND2 3.02Å
376L75.6Confident71.2Confident114 Ų114111.8 Ų111.860%0.59757%0.569SS**Hα-helixtrans-73.7-15178.7-74.6170.5000114.8R372 V374 K380R372-L376 VanDerWaalsContact O-CB 3.31Å; R372-L376 WeakPolarHBondContact O-CB 3.21Å; R372-L376 WeakPolarHBondContact O-CD1 3.24Å; R372-L376 WeakPolarHBondContact O-CG 3.08Å; R372-L376 PolarHBondContact O-N 3.38Å; R372-L376 VanDerWaalsContact O-N 3.12Å; V374-L376 VanDerWaalsContact C-N 3.27Å; V374-L376 PolarHBondContact O-N 3.14Å; L376-K380 WeakPolarHBondContact O-CD 3.23Å; L376-K380 WeakPolarHBondContact O-CG 3.25Å
377N73.5Confident68.9Low103 Ų103110.6 Ų110.655%0.55157%0.574SS**Hα-helixtrans-92.5-41.1174.3-75-9.6000111S373 V374 E375 N379 K380 T381S373-N377 WeakPolarHBondContact O-CB 3.24Å; S373-N377 PolarHBondContact O-N 3.12Å; S373-N377 PolarHBondContact O-ND2 2.93Å; V374-N377 WeakPolarHBondContact O-CA 3.09Å; V374-N377 PolarHBondContact O-N 3.39Å; E375-N377 VanDerWaalsContact C-N 3.31Å; E375-N377 PolarHBondContact O-N 3.31Å; N377-N379 PolarHBondContact O-N 3.33Å; N377-K380 WeakPolarHBondContact O-CA 3.44Å; N377-K380 WeakPolarHBondContact O-CB 3.42Å; N377-K380 PolarHBondContact O-N 2.86Å; N377-T381 PolarHBondContact O-N 3.45Å; N377-T381 PolarHBondContact O-OG1 2.88Å
378E69.9Low66.5Low113 Ų113110.5 Ų110.553%0.52858%0.584SS.*Hα-helixtrans-62-40.9175.7-70.7174.9163.600112V374 K380 T381 T382V374-E378 HydrophobicContact CG1-CG 4.16Å; V374-E378 WeakPolarHBondContact CG1-OE1 3.5Å; V374-E378 PolarHBondContact O-N 2.97Å; E378-K380 PolarHBondContact O-N 3.1Å; E378-T381 WeakPolarHBondContact CA-OG1 3.14Å; E378-T381 PolarHBondContact O-N 3.38Å; E378-T381 PolarHBondContact O-OG1 3.2Å; E378-T382 WeakPolarHBondContact O-CB 3.35Å; E378-T382 WeakPolarHBondContact O-CG2 3.48Å; E378-T382 PolarHBondContact O-N 2.89Å; E378-T382 PolarHBondContact O-OG1 3.23Å
379N61.2Low64.3Low117 Ų117111.7 Ų111.763%0.62659%0.594SS**Hα-helixtrans-65.2-18.6172.8-76.7-65.1000113.4E375 N377 T382 G383E375-N379 WeakPolarHBondContact O-CB 3.48Å; E375-N379 PolarHBondContact O-N 3.35Å; E375-N379 VanDerWaalsContact O-N 3.16Å; E375-N379 PolarHBondContact O-ND2 3.02Å; N377-N379 PolarHBondContact O-N 3.33Å; N379-T382 WeakPolarHBondContact CA-OG1 3.45Å; N379-G383 PolarHBondContact O-N 3.08Å
380K60.1Low61.9Low138 Ų138115.3 Ų115.360%0.661%0.61SS**Hα-helixtrans-88.7-36.7174-73.1177.7177.4-175.40112.9L376 N377 E378 N384L376-K380 WeakPolarHBondContact O-CD 3.23Å; L376-K380 WeakPolarHBondContact O-CG 3.25Å; N377-K380 WeakPolarHBondContact O-CA 3.44Å; N377-K380 WeakPolarHBondContact O-CB 3.42Å; N377-K380 PolarHBondContact O-N 2.86Å; E378-K380 PolarHBondContact O-N 3.1Å; K380-N384 WeakPolarHBondContact O-CB 3.17Å; K380-N384 PolarHBondContact O-N 3.03Å; K380-N384 VanDerWaalsContact O-N 3.13Å
381T56.2Low59.5Low99 Ų99119.4 Ų119.461%0.60763%0.628SS**Hα-helixtrans-73.5-38.2175.642.30000112.1N377 E378 S385N377-T381 PolarHBondContact O-N 3.45Å; N377-T381 PolarHBondContact O-OG1 2.88Å; E378-T381 WeakPolarHBondContact CA-OG1 3.14Å; E378-T381 PolarHBondContact O-N 3.38Å; E378-T381 PolarHBondContact O-OG1 3.2Å; T381-S385 PolarHBondContact O-N 2.95Å
382T52.5Low57.1Low85 Ų85122.6 Ų122.652%0.52165%0.645SS.*Hα-helixtrans-67.7-44.7172.751.70000112.1E378 N379 N384 S385E378-T382 WeakPolarHBondContact O-CB 3.35Å; E378-T382 WeakPolarHBondContact O-CG2 3.48Å; E378-T382 PolarHBondContact O-N 2.89Å; E378-T382 PolarHBondContact O-OG1 3.23Å; N379-T382 WeakPolarHBondContact CA-OG1 3.45Å; T382-N384 VanDerWaalsContact C-N 3.33Å; T382-N384 PolarHBondContact O-N 3.36Å; T382-S385 PolarHBondContact O-N 2.85Å
383G47.3Very low54.7Low38 Ų38121.3 Ų121.339%0.39265%0.65SS.*Hα-helixtrans-59.1-39.1176.600000113.9N379N379-G383 PolarHBondContact O-N 3.08Å
384N46.6Very low52.3Low129 Ų129128.4 Ų128.469%0.6967%0.67SS**Hα-helixtrans-79.7-15.3179.9-74.86.5000114.1K380 T382 L386K380-N384 WeakPolarHBondContact O-CB 3.17Å; K380-N384 PolarHBondContact O-N 3.03Å; K380-N384 VanDerWaalsContact O-N 3.13Å; T382-N384 VanDerWaalsContact C-N 3.33Å; T382-N384 PolarHBondContact O-N 3.36Å; N384-L386 VanDerWaalsContact C-N 3.3Å; N384-L386 PolarHBondContact O-N 3.25Å
385S45.3Very low50Low102 Ų102132.3 Ų132.371%0.71368%0.683SS**THydrogen-bonded Turntrans-82.2-3.7-177.5-168.60000114.4T381 T382T381-S385 PolarHBondContact O-N 2.95Å; T382-S385 PolarHBondContact O-N 2.85Å
386L43.1Very low47.8Very low156 Ų156134 Ų13482%0.81770%0.696SS**THydrogen-bonded Turntrans-109.9-3.2-179.1-91151.7000114N384N384-L386 VanDerWaalsContact C-N 3.3Å; N384-L386 PolarHBondContact O-N 3.25Å
387V39.4Very low45.8Very low124 Ų124135.9 Ų135.975%0.75271%0.712SS**SBendtrans-113.163-176.1-1680000110.6
388S39.9Very low43.9Very low105 Ų105136.8 Ų136.873%0.73473%0.726SS**SBendtrans-150.613.9175.1-53.40000114.6
389K42.9Very low42.2Very low200 Ų200134.9 Ų134.987%0.8774%0.738SS**SBendtrans-144.770.5179.3-74.9-168.7175.4-179.80113
390K36.9Very low41Very low217 Ų217136.8 Ų136.894%0.94375%0.747SS**  trans176.890.4148-101.5168.1-177.2-175.80110.3
391E37.7Very low39.7Very low188 Ų188139 Ų13988%0.87976%0.757SS**  trans-95.1135.2152.3-67-179.3128.500108
392L38.3Very low38.4Very low157 Ų157143.5 Ų143.582%0.82277%0.769SS**  trans167.3151.1137.1-92.1163.5000110.7
393N36.1Very low37.4Very low143 Ų143147.8 Ų147.877%0.76578%0.783SS**  trans66.673.3171-55.4-0.8000115.3
394Y32.3Very low36.7Very low207 Ų207151.7 Ų151.781%0.81280%0.799SS**  72.7129.977.6-93.6-122.8000117.4
395E35.7Very low35.9Very low149 Ų149152.1 Ų152.170%0.69680%0.801SS**  trans88.5108.4147.7-68.1-175-174.700124.4
396N32.6Very low35.3Very low130 Ų130154.6 Ų154.670%0.69581%0.806SS**  59.6104.4119.6-56-18.8000120.8
397T34.6Very low34.7Very low153 Ų153153.7 Ų153.794%0.93980%0.801SS**  -167.8166.995.220.50000111.6
398S33.8Very low34.4Very low122 Ų122154 Ų15485%0.85380%0.798SS**  trans-120.7136.1-165.654.30000114
399G34.2Very low34.3Very low74 Ų74157.3 Ų157.376%0.76380%0.802SS**  trans-177.8121.3170.400000116.5
400N34.9Very low33.9Very low156 Ų156153 Ų15383%0.83479%0.788SS**  trans51.2101.1152.4-65.1-28.4000122.3
401K32.6Very low34Very low186 Ų186149.7 Ų149.781%0.80978%0.779SS**  45.9124.7119.3-86.7-179177.3175.70121.7
402F30.7Very low33.9Very low193 Ų193147 Ų14785%0.84677%0.771SS**  trans84.1137.6147.4-87.4-77.2000121.3
403Q30.5Very low33.8Very low175 Ų175151 Ų15182%0.81878%0.775SS**  trans86164153.2-148.6161.7-12.800119.2
404T32.5Very low33.7Very low119 Ų119151.2 Ų151.273%0.7378%0.781SS**  trans66.4101.2176.155.80000119.7
405D30.1Very low33.9Very low138 Ų138145 Ų14574%0.73878%0.78SS**  15.1141117.1-57.6-81.5000122.4
406L31.6Very low33.8Very low154 Ų154148.3 Ų148.381%0.80679%0.786SS**  trans75.6160.1136.9-81.8166.1000122.4
407I32.2Very low34.1Very low138 Ų138148.6 Ų148.671%0.70878%0.783SS**  trans99.7131.8138-98.6162.2000121.6
408N33.5Very low34.3Very low129 Ų129148 Ų14869%0.6977%0.774SS**  trans66.4148.7163-67.1-3.3000118.3
409Q37.2Very low34.7Very low176 Ų176147.5 Ų147.582%0.82277%0.768SS**  -146.8166.452.2-67.7-171.518.600112.7
410N35Very low34.8Very low109 Ų109153 Ų15358%0.58377%0.771SS**  cis-168.8-175.7-16.6-101.7-18.6000109.9
411I38.5Very low34.8Very low147 Ų147153 Ų15375%0.75477%0.771SS**  trans11882.5149.6-54.8175.4000116.7
412N35.2Very low35Very low132 Ų132149.3 Ų149.371%0.70677%0.768SS**  47.3115.8120.4-50.2-17.3000122.2
413R35.3Very low35.1Very low240 Ų240147.6 Ų147.691%0.90677%0.767SS**  169.2103111.5-89.8166.4-175.7-167.31.5108.8
414V34.2Very low35.9Very low148 Ų148143.7 Ų143.790%0.89776%0.757SS**  65.8106.778.5179.90000113.7
415G36.2Very low36.2Very low77 Ų77146 Ų14679%0.79476%0.764SS**  trans-175.8136.8169.400000108.9
416R35.4Very low36.5Very low218 Ų218142.8 Ų142.882%0.82376%0.764SS**  trans-119.1163.7-168.8-69.9-173.4-178.7171.3-2114
417H38.9Very low36.7Very low137 Ų137141.7 Ų141.763%0.63476%0.759SS**  trans108.594.3143.1-71.8-57.5000119.3
418D37.2Very low37Very low139 Ų139142.7 Ų142.774%0.74376%0.76SS**  61.4145.5121.5-65-62.3000122.9
419P42.7Very low37.1Very low112 Ų112144.2 Ų144.273%0.72776%0.763SS**  trans-104179.6-171.642.5-37.6000113.8
420K36.9Very low37.1Very low190 Ų190141.2 Ų141.283%0.82676%0.762SS**  trans-170.6151.4144.8-104.1166-172.4177.10111.7
421L33.9Very low37.2Very low157 Ų157145.7 Ų145.782%0.82278%0.777SS**  trans34.4146149.8-83.477000120.4
422S36.6Very low37.3Very low108 Ų108144 Ų14476%0.75578%0.775SS**  cis-163.4160.819.233.70000113.3
423N34.6Very low37.3Very low156 Ų156143.5 Ų143.583%0.83478%0.777SS**  trans-96.8-163.6166.8-127.9-3.7000108.8
424P47.2Very low37.2Very low93 Ų93140.5 Ų140.560%0.60477%0.773SS**  cis-129.4-170.2-39.439-22.9000111.4
425L37.6Very low37.2Very low167 Ų167140.1 Ų140.187%0.87477%0.771SS**  178.6137111.5-111.9121.6000113.1
426G36.1Very low36.9Very low71 Ų71140.6 Ų140.673%0.73277%0.767SS**  trans-168.4152.9175.700000109.3
427N36.7Very low36.8Very low131 Ų131137.4 Ų137.470%0.70177%0.767SS**  trans-160.9167.2-165.6-160.3-1.6000113.3
428Q38.1Very low36.3Very low159 Ų159139.2 Ų139.274%0.74378%0.776SS**  trans75135.2163.8-56.6-172.921.500119.2
429Q36.1Very low35.9Very low161 Ų161143.1 Ų143.175%0.75278%0.781SS**  cis-167.5167.8-28.4-129.5173.414.300112.6
430S36.6Very low35.2Very low114 Ų114146.1 Ų146.180%0.79779%0.786SS**  trans76.5155.4162.679.10000119.8
431K37.5Very low34.7Very low203 Ų203141.8 Ų141.888%0.88378%0.778SS**  -158.4164.1-62.3-116.7-153.9172.2-170.40111
432P40.4Very low34.7Very low110 Ų110142.3 Ų142.371%0.71478%0.776SS**  trans-129.7178.4-163.845.7-34000117.7
433T35.6Very low34.4Very low123 Ų123141.4 Ų141.476%0.75577%0.77SS**  trans-156.913115021.90000107.1
434E33.5Very low34.4Very low177 Ų177140.4 Ų140.483%0.82776%0.764SS**  64.4138.270.5-62.3-173.7161.700113.3
435T34.3Very low33.7Very low140 Ų140144.3 Ų144.386%0.85977%0.772SS**  cis-145.3163.332.9-45.20000112.8
436A29.9Very low33.5Very low86 Ų86142.4 Ų142.471%0.71176%0.763SS**  trans-109.4168.7176.100000113.4
437N32.6Very low33.2Very low151 Ų151146.9 Ų146.981%0.80777%0.765SS**  trans-155.5142.6160-107.6-28.8000112.1
438Q27.2Very low33.1Very low176 Ų176145.3 Ų145.382%0.82276%0.76SS**  trans-118.6152.5173.7-66.8177.7-60.800109.8
439Y30.6Very low32.7Very low220 Ų220146.7 Ų146.786%0.86376%0.764SS**  trans-143.7141.4159.1-84.2-75.4000111.1
440Q27.2Very low32.6Very low176 Ų176143.8 Ų143.882%0.82276%0.761SS**  trans-158.3167.1-179.1-166.6172.4-4.400108.9
441C27.4Very low32.3Very low98 Ų98143.5 Ų143.566%0.66276%0.759SS**  trans74153.8175.2-53.70000115.2
442H32.7Very low32.2Very low168 Ų168138.9 Ų138.978%0.77875%0.753SS**  cis-160.1135.7-21.2-108.9-49.1000107
443S30.8Very low31.8Very low90 Ų90141 Ų14163%0.62976%0.758SS**  108.1175.295.271.40000113.6
444D34.5Very low32.2Very low134 Ų134139.8 Ų139.872%0.71775%0.752SS**  trans81.2149.7165.1-53.58.2000119.6
445F31.7Very low32Very low176 Ų176140.8 Ų140.877%0.77275%0.75SS**  -165.2160.4-50.1-122.6-67.6000110.6
446N33.9Very low31.8Very low127 Ų127140.8 Ų140.868%0.67974%0.744SS**  trans69.2122.3164.6-64.6-17.8000118.5
447E30.5Very low31.7Very low164 Ų164140.8 Ų140.877%0.76674%0.739SS**  71139.386.7-65-151.3129.800114.6
448T33.2Very low31.7Very low98 Ų98141.6 Ų141.660%0.60174%0.738SS**  cis-158.8165.431.9-19.60000113
449K30.5Very low31.6Very low189 Ų189140.1 Ų140.182%0.82274%0.736SS**  trans25.3147.2141.6-75.8164.1-163164.30121.3
450S33.3Very low31.5Very low100 Ų100138.1 Ų138.170%0.69973%0.734SS**  cis-170156.716.143.40000116.2
451S30Very low31.5Very low107 Ų107134.4 Ų134.475%0.74873%0.728SS**  trans69.3146.5137.661.90000125.8
452S35.7Very low31.5Very low107 Ų107134.8 Ų134.875%0.74873%0.732SS**  trans88.577.7148.275.50000123
453D33Very low31.2Very low154 Ų154132.3 Ų132.382%0.82473%0.728SS**  17.5159.4100.3-79.6-23.7000121.1
454P43.5Very low31.1Very low98 Ų98134.1 Ų134.164%0.63673%0.731SS**  cis-148.1-145.1-40.342.9-21.7000112.8
455Y30Very low30.9Very low198 Ų198133.8 Ų133.878%0.77673%0.728SS**  trans89.3126.2156-87.4-57.2000123.3
456N29.3Very low30.8Very low140 Ų140129.7 Ų129.775%0.74972%0.721SS**  trans58.5154.2136.1-81.8-6.6000122
457S28.7Very low30.9Very low86 Ų86130.6 Ų130.660%0.60172%0.721SS**  cis-170.5-177.5-14.551.90000111.8
458Q31.8Very low31Very low167 Ų167129.2 Ų129.278%0.7872%0.719SS**  trans81.2126.2160.6-62.1-177.112.400120.4
459N26.1Very low31.1Very low145 Ų145131.8 Ų131.878%0.77573%0.728SS**  trans-5.2146.8130.7-45.9-24.7000115.1
460Q28.5Very low31Very low178 Ų178128.2 Ų128.283%0.83273%0.726SS**  -156.9173.958.2-76.3-176.81400114
461S25.4Very low31Very low99 Ų99130.1 Ų130.169%0.69273%0.727SS**  trans-56.9141.6165.847.90000114.2
462S27.6Very low31Very low106 Ų106129.9 Ų129.974%0.74173%0.726SS**  -177.5153.2114.6-80.10000113.2
463T27.4Very low30.7Very low115 Ų115129.6 Ų129.671%0.70672%0.724SS**  trans-2.2152.7150.666.30000118.9
464N29.2Very low30.6Very low128 Ų128128.2 Ų128.268%0.68472%0.723SS**  -176.5166.350.6-128.4-16.4000113.5
465I29.9Very low30.2Very low127 Ų127130 Ų13065%0.65173%0.731SS**  trans5094.7140.8-66.9163.1000117.5
466S29.1Very low30.1Very low90 Ų90127.8 Ų127.863%0.62973%0.733SS**  101.1172.995.682.60000112.9
467H35.7Very low30.3Very low146 Ų146129.2 Ų129.268%0.67674%0.735SS**  cis-150.7142.810.7-115.2-49.2000111.3
468N32.5Very low30.3Very low135 Ų135130 Ų13072%0.72274%0.737SS**  trans61.3168.9145.7-49-17.5000118.6
469I35.2Very low30.1Very low153 Ų153131 Ų13179%0.78574%0.738SS**  cis-123145.2-3-62.5166.7000109.4I471I469-I471 HydrophobicContact CG2-CD1 4.45Å; I469-I471 HydrophobicContact CG2-CG1 4.28Å
470S29.1Very low30.4Very low113 Ų113130.7 Ų130.779%0.7974%0.737SS**  trans-144.5122.3167.4600000111.5
471I32.7Very low30.4Very low140 Ų140128.8 Ų128.872%0.71873%0.732SS**  trans-141107.1176-61.6-177.5000105.6I469I469-I471 HydrophobicContact CG2-CD1 4.45Å; I469-I471 HydrophobicContact CG2-CG1 4.28Å
472S30.7Very low30.7Very low103 Ų103132 Ų13272%0.7274%0.735SS**  68.8146.988.4114.70000113.3
473S28.7Very low30.9Very low101 Ų101131.8 Ų131.871%0.70673%0.734SS**  cis-163.5162.5-13.2-108.40000108.9
474P32.4Very low31.2Very low125 Ų125134.2 Ų134.281%0.81274%0.742SS**  trans-82.2143.8-17532.9-35.2000113.7
475V34.6Very low31.2Very low134 Ų134133 Ų13381%0.81274%0.744SS**  trans-137.2125.4171.2-179.50000110
476N28.3Very low31.5Very low152 Ų152131.3 Ų131.381%0.81375%0.749SS**  trans-84.2139.5164.9-79.6-39000109.3
477H33.3Very low31.8Very low170 Ų170135.1 Ų135.179%0.78775%0.754SS**  trans-166.6114.3140.5-111.1-70.5000114.9
478T27.2Very low31.8Very low104 Ų104136.8 Ų136.864%0.63876%0.763SS**  trans43.6131.3138490000124.1
479K28.9Very low31.9Very low186 Ų186136.4 Ų136.481%0.80976%0.76SS**  trans76.4102.1142.2-69.5174.3177.3-176.70120.6
480N31.6Very low32Very low140 Ų140136.7 Ų136.775%0.74976%0.758SS**  171125109.5-83.5-16.8000109
481L27.9Very low32.4Very low138 Ų138137.9 Ų137.972%0.72375%0.751SS**  68.99371.6-83.2168.7000114.6
482H33.4Very low32.6Very low166 Ų166138.2 Ų138.277%0.76975%0.753SS**  179.7159.2104.5-92.490.7000112.7
483S31.7Very low32.6Very low102 Ų102137.4 Ų137.471%0.71375%0.748SS**  trans52139160.438.10000120.4
484N33.3Very low32.9Very low165 Ų165141 Ų14188%0.88275%0.753SS**  cis-144.1160.12.1-99.7-15.2000111.1
485S28.8Very low32.8Very low104 Ų104140 Ų14073%0.72775%0.75SS**  trans-142.7141.3-177.256.20000113.8
486A36.5Very low32.7Very low91 Ų91138.5 Ų138.575%0.75275%0.745SS**  trans-140.1118.4153.700000106.1
487F35.4Very low32.8Very low169 Ų169137.9 Ų137.974%0.74175%0.746SS**  63.6124.274.1-75.6-68.6000110.7
488E35.9Very low32.7Very low182 Ų182133.7 Ų133.785%0.8574%0.736SS**  cis-146.9175.722.6-63.9177.3133.700111
489N35Very low32.8Very low126 Ų126135.6 Ų135.667%0.67474%0.742SS**  cis-164.5-176.4-45.3-162.46.9000109.1
490E35.7Very low32.9Very low159 Ų159134.9 Ų134.974%0.74374%0.742SS**  trans75.3140.4170.8-51.4-158.1168.900118.7
491H38.7Very low33.1Very low138 Ų138133 Ų13364%0.63974%0.737SS**  cis-162.1143.7-22.8-113.4-44.9000112.2
492I35.7Very low33.2Very low147 Ų147136.5 Ų136.575%0.75475%0.747SS**  trans68.7136.4147.9-64.1165.8000118.6
493S31.9Very low32.7Very low87 Ų87133.8 Ų133.861%0.60875%0.746SS**  cis-171155.1-17.6-94.90000112.2
494Q33.9Very low32.6Very low175 Ų175136 Ų13682%0.81876%0.756SS**  trans65.7126.9158-65.8165.618.300118.4
495S31.7Very low32.2Very low106 Ų106133.1 Ų133.174%0.74175%0.748SS**  cis87136.838.279.50000113.9
496S31.5Very low32.1Very low102 Ų102134.4 Ų134.471%0.71375%0.752SS**  cis-173.1167.111.444.10000113.6
497V30.8Very low31.5Very low139 Ų139134.5 Ų134.584%0.84275%0.746SS**  trans72.3146.7148.4156.50000118.9
498S30.2Very low31Very low81 Ų81132.2 Ų132.257%0.56675%0.747SS**  cis-167176.8-30.774.40000111.2
499N30.7Very low30.5Very low144 Ų144131.6 Ų131.677%0.7775%0.748SS**  trans67.2153.6160.5-65.8-15.3000119.9
500Q30.8Very low29.9Very low171 Ų171135 Ų13580%0.79976%0.756SS**  cis-161.4165-34.6-105.3-101.3-29.100107.2
501P35.9Very low29.5Very low100 Ų100132.4 Ų132.465%0.64976%0.762SS**  trans-101.6173.3-159.439.8-34.7000115.1
502K28.8Very low28.9Very low213 Ų213131.6 Ų131.693%0.92677%0.772SS**  trans-154.2156.8147.3-112163.3-169.3175.70111.7
503S24.5Very low28.5Very low109 Ų109128.9 Ų128.976%0.76277%0.772SS**  trans-114.4152.1-173.1510000112
504T29.5Very low28.2Very low148 Ų148132.2 Ų132.291%0.90878%0.783SS**  trans-152138.4157.8-34.80000109.5
505S24.4Very low27.9Very low104 Ų104129 Ų12973%0.72778%0.779SS**  trans-98.8168.6172.951.60000110.5
506V25.9Very low27.9Very low132 Ų132129.9 Ų129.980%0.878%0.776SS**  trans176.8141.3132.7145.70000113.2
507S25.2Very low27.9Very low92 Ų92133.1 Ų133.164%0.64379%0.785SS**  trans27.3114163.868.90000123.5
508T23.5Very low28.4Very low122 Ų122129.3 Ų129.375%0.74877%0.768SS**  37.2127.6102.3-45.70000121
509I26.3Very low28.8Very low169 Ų169128.3 Ų128.387%0.86776%0.756SS**  trans-146.2146.9132.7-103.5157.7000109.2
510K23.5Very low29.2Very low196 Ų196127.3 Ų127.385%0.85275%0.75SS**  trans-98.2146.7176.5-65.9176.4-179.5173.40110.8
511A26.9Very low29.8Very low106 Ų106126.8 Ų126.888%0.87675%0.746SS**  trans-141.4134.4155.300000109.8
512S24.9Very low30.1Very low120 Ų120125.9 Ų125.984%0.83973%0.734SS**  trans-107.4156.5-178.752.30000111.3
513A27.1Very low30.8Very low91 Ų91119 Ų11975%0.75271%0.707SS**  trans179.3111.6134.500000113.3
514N26.2Very low31.6Very low156 Ų156118.7 Ų118.783%0.83470%0.697SS**  trans20.5115.5137.1-57.2-13.7000119.6
515S28.3Very low32.5Very low107 Ų107116.4 Ų116.475%0.74868%0.679SS**  171.1143.4113.546.30000112.4
516N31.7Very low33.5Very low126 Ų126113.6 Ų113.667%0.67466%0.655SS**  trans161.460.5142.1-89.3-63.1000112.6A518N516-A518 PolarHBondContact O-N 2.77Å
517L31.8Very low34.3Very low170 Ų170110.1 Ų110.189%0.8964%0.637SS**THydrogen-bonded Turntrans-74.215.6178.3-151.275.9000114.2
518A39.9Very low35.1Very low59 Ų59110.6 Ų110.649%0.48863%0.632SS.*THydrogen-bonded Turntrans-100.8-27.9-161.400000115.4N516N516-A518 PolarHBondContact O-N 2.77Å
519N38.5Very low36.1Very low59 Ų59109.9 Ų109.932%0.31662%0.621SS.*SBendtrans-77.3-36.5-170-68.9-34.4000113.4R18 K521 I522R18-N519 PolarHBondContact NH1-OD1 3.37Å; N519-K521 PolarHBondContact O-N 3.23Å; N519-I522 PolarHBondContact O-N 2.79Å
520N38.9Very low36.8Very low123 Ų123103.9 Ų103.966%0.65859%0.59SS**Hα-helixtrans-71.2-32.9-170.8-65.611.1000113.1I522 I523 N524N520-I522 PolarHBondContact O-N 3.48Å; N520-I523 PolarHBondContact O-N 3.14Å; N520-N524 PolarHBondContact O-N 3.18Å; N520-N524 PolarHBondContact O-OD1 2.69Å
521K43.3Very low37.7Very low161 Ų161101.2 Ų101.270%0.758%0.58SS**Hα-helixtrans-62.9-27.7176.6-75.3-170.6173.4-175.50113.5N519 N525N519-K521 PolarHBondContact O-N 3.23Å; K521-N525 PolarHBondContact O-OD1 2.8Å; K521-N525 VanDerWaalsContact O-OD1 3.14Å
522I44Very low38.6Very low81 Ų81104.4 Ų104.442%0.41557%0.574SS.*Hα-helixtrans-74.8-39.8-179.7-57.8175.1000110.4N519 N520 I526N519-I522 PolarHBondContact O-N 2.79Å; N520-I522 PolarHBondContact O-N 3.48Å; I522-I526 HydrophobicContact CG2-CD1 4.16Å; I522-I526 WeakPolarHBondContact O-CG1 3.41Å; I522-I526 PolarHBondContact O-N 2.83Å
523I42.4Very low39.2Very low67 Ų67107.7 Ų107.734%0.34457%0.568SS.*Hα-helixtrans-72.1-39.7-174.6-63.1165.7000111.2N520 I526 S527N520-I523 PolarHBondContact O-N 3.14Å; I523-I526 PolarHBondContact O-N 3.44Å; I523-S527 PolarHBondContact O-N 3.01Å
524N42.4Very low39.7Very low103 Ų103108 Ų10855%0.55156%0.561SS**Hα-helixtrans-65.8-45.2177.8-67.524.8000111.3N520 I526 S527 D528N520-N524 PolarHBondContact O-N 3.18Å; N520-N524 PolarHBondContact O-OD1 2.69Å; N524-I526 VanDerWaalsContact C-N 3.27Å; N524-I526 PolarHBondContact O-N 3.49Å; N524-S527 WeakPolarHBondContact O-CA 3.49Å; N524-S527 VanDerWaalsContact O-CB 3.31Å; N524-S527 WeakPolarHBondContact O-CB 3.47Å; N524-S527 PolarHBondContact O-N 3.09Å; N524-D528 PolarHBondContact O-N 3.05Å
525N48.3Very low40.1Very low100 Ų100106.6 Ų106.654%0.53556%0.558SS.*Hα-helixtrans-55.9-39.3175.7-76.728.6000113K521 S527 D528 E529K521-N525 PolarHBondContact O-OD1 2.8Å; K521-N525 VanDerWaalsContact O-OD1 3.14Å; N525-S527 VanDerWaalsContact C-N 3.33Å; N525-D528 PolarHBondContact O-N 3.39Å; N525-E529 PolarHBondContact O-N 3.22Å
526I45.1Very low40.4Very low45 Ų45108.6 Ų108.623%0.23156%0.559CS.*Hα-helixtrans-63.9-40.2175.9-68.8165.3000110.8I522 I523 N524 D528 L530I522-I526 HydrophobicContact CG2-CD1 4.16Å; I522-I526 WeakPolarHBondContact O-CG1 3.41Å; I522-I526 PolarHBondContact O-N 2.83Å; I523-I526 PolarHBondContact O-N 3.44Å; N524-I526 VanDerWaalsContact C-N 3.27Å; N524-I526 PolarHBondContact O-N 3.49Å; I526-D528 VanDerWaalsContact C-N 3.34Å; I526-L530 HydrophobicContact CG2-CD1 3.84Å; I526-L530 HydrophobicContact CG2-CG 4.47Å; I526-L530 WeakPolarHBondContact O-CB 3.33Å; I526-L530 VanDerWaalsContact O-CG 3.24Å; I526-L530 WeakPolarHBondContact O-CG 3.19Å; I526-L530 PolarHBondContact O-N 2.66Å; I526-L530 VanDerWaalsContact O-N 3.14Å
527S41.9Very low40.4Very low59 Ų59108.5 Ų108.541%0.41357%0.566SS.*Hα-helixtrans-63-40.6175.4-165.50000112I523 N524 N525 H531I523-S527 PolarHBondContact O-N 3.01Å; N524-S527 WeakPolarHBondContact O-CA 3.49Å; N524-S527 VanDerWaalsContact O-CB 3.31Å; N524-S527 WeakPolarHBondContact O-CB 3.47Å; N524-S527 PolarHBondContact O-N 3.09Å; N525-S527 VanDerWaalsContact C-N 3.33Å; S527-H531 PolarHBondContact O-N 3.17Å; S527-H531 PolarHBondContact O-ND1 3.06Å
528D41.6Very low40.3Very low102 Ų102106.4 Ų106.455%0.54556%0.56SS.*Hα-helixtrans-76.6-36.4-177.2-63.9-29.1000113.2N524 N525 I526 H531N524-D528 PolarHBondContact O-N 3.05Å; N525-D528 PolarHBondContact O-N 3.39Å; I526-D528 VanDerWaalsContact C-N 3.34Å; D528-H531 PolarHBondContact O-N 2.8Å
529E45.9Very low40.1Very low108 Ų108109.1 Ų109.151%0.50558%0.576SS.*Hα-helixtrans-68.7-38.2173.1-77.3-162.893.900112.1N525 H531 K532 R533N525-E529 PolarHBondContact O-N 3.22Å; E529-H531 PolarHBondContact O-N 2.72Å; E529-K532 PolarHBondContact O-N 3.49Å; E529-R533 IonicContact OE1-NH1 2.7Å; E529-R533 PolarHBondContact OE1-NH1 3.15Å; E529-R533 VanDerWaalsContact OE1-NH1 3.09Å
530L39.9Very low39.8Very low43 Ų43111.9 Ų111.923%0.22560%0.6CS.*Hα-helixtrans-68.4-15.1178-74.8175.3000114.3I526I526-L530 HydrophobicContact CG2-CD1 3.84Å; I526-L530 HydrophobicContact CG2-CG 4.47Å; I526-L530 WeakPolarHBondContact O-CB 3.33Å; I526-L530 VanDerWaalsContact O-CG 3.24Å; I526-L530 WeakPolarHBondContact O-CG 3.19Å; I526-L530 PolarHBondContact O-N 2.66Å; I526-L530 VanDerWaalsContact O-N 3.14Å
531H42.6Very low39.6Very low139 Ų139113.2 Ų113.264%0.64461%0.612SS**THydrogen-bonded Turntrans-85.3-10170.8-80.181.1000113.8S527 D528 E529S527-H531 PolarHBondContact O-N 3.17Å; S527-H531 PolarHBondContact O-ND1 3.06Å; D528-H531 PolarHBondContact O-N 2.8Å; E529-H531 PolarHBondContact O-N 2.72Å
532K45Very low38.9Very low174 Ų174110.1 Ų110.176%0.75761%0.61SS**SBendtrans-113.21.2-175.3-72.2-172.6174.3-177.50115.6E529E529-K532 PolarHBondContact O-N 3.49Å
533R39.1Very low38.3Very low188 Ų188110.7 Ų110.771%0.70962%0.621SS**  trans-133.123.7-172-76.5-171.5170143.21.2116.1E529E529-R533 IonicContact OE1-NH1 2.7Å; E529-R533 PolarHBondContact OE1-NH1 3.15Å; E529-R533 VanDerWaalsContact OE1-NH1 3.09Å
534V36Very low37.9Very low99 Ų99115.6 Ų115.660%0.664%0.643SS**  trans-104.176.4169-171.70000109.7
535T35.6Very low37.3Very low125 Ų125119.7 Ų119.777%0.76766%0.656SS**  trans-125.5122.2165.839.10000108.5
536L33.6Very low36.4Very low149 Ų149126.1 Ų126.178%0.7867%0.674SS**  trans-78.4132.2-176.3-71.6158.7000111.1T538L536-T538 HydrophobicContact CB-CG2 4.42Å
537P32.4Very low35.8Very low124 Ų124133.2 Ų133.281%0.80570%0.704SS**  trans-90.786.7156.533.5-27.5000109.1S539P537-S539 PolarHBondContact O-N 3.11Å
538T30.2Very low35.1Very low126 Ų126139.2 Ų139.277%0.77372%0.724SS**  trans-81.9108.1169.636.60000110.3L536L536-T538 HydrophobicContact CB-CG2 4.42Å
539S35.3Very low34.4Very low117 Ų117142.9 Ų142.982%0.81874%0.739SS**  trans-140.3117.216454.10000111P537P537-S539 PolarHBondContact O-N 3.11Å
540S32.1Very low33.6Very low117 Ų117145.8 Ų145.882%0.81876%0.756SS**  trans-99.6130.3178.148.60000110.7
541V34Very low33.1Very low150 Ų150147.7 Ų147.791%0.90978%0.779SS**  trans-133136.5150.5-177.20000106.8
542S30Very low32.4Very low96 Ų96148.5 Ų148.567%0.67179%0.787SS**  trans-114.5169.1-170.866.80000112.3
543S31.1Very low31.6Very low93 Ų93147.1 Ų147.165%0.6579%0.788SS**  trans83.1142.6147.3-630000121.1
544Q33.1Very low31.4Very low171 Ų171143.4 Ų143.480%0.79979%0.791SS**  trans81.598148.1-71.6164.440.900120.6
545K30.1Very low31.1Very low188 Ų188146.9 Ų146.982%0.81780%0.801SS**  39.8129120.7-61.2176.8179.6177.90118.5
546Y30.1Very low31Very low236 Ų236147.4 Ų147.493%0.92580%0.798SS**  -149.4150.9116.1-105.3-72.1000111.7
547K31.5Very low31.1Very low194 Ų194148.4 Ų148.484%0.84380%0.804SS**  trans-122.6130.2167.6-90-172.6173.6-174.90108.4
548H27.6Very low30.9Very low184 Ų184149 Ų14985%0.85280%0.8SS**  40.1102.7129.8-154.8-67.2000119.6
549E26.8Very low30.9Very low180 Ų180150.2 Ų150.284%0.84180%0.802SS**  trans-164178.4143.7-123.5169.8-171.300112.6
550L29.4Very low30.9Very low168 Ų168150.4 Ų150.488%0.8880%0.798SS**  trans69.2103.7-170.3-52.5171.6000113.7
551A29Very low30.9Very low84 Ų84153 Ų15369%0.69480%0.797SS**  cis86.5125.315.400000117.6
552L28.7Very low30.6Very low155 Ų155151.7 Ų151.781%0.81279%0.79SS**  trans65.8106.6157-62.7168.5000120.4
553N28.5Very low30.5Very low145 Ų145154.8 Ų154.878%0.77580%0.796SS**  165.7166.9105-86.4-24.6000114.9
554S33.3Very low30.3Very low111 Ų111159.7 Ų159.778%0.77681%0.805SS**  trans63.6115.5-176.562.20000115.3
555E31.2Very low30.2Very low172 Ų172159.8 Ų159.880%0.80481%0.81SS**  cis101.2135.925.5-69.2-166.6153.800115.2
556N32.2Very low29.9Very low135 Ų135156.1 Ų156.172%0.72281%0.808SS**  trans68.7137.1175.3-52.1-64.8000115.3
557L35.5Very low29.8Very low171 Ų171153.8 Ų153.890%0.89581%0.808SS**  cis-125.4168.924.7-91.282.3000114.9
558N29.6Very low29.5Very low137 Ų137149.1 Ų149.173%0.73380%0.8SS**  trans-102.1169.2179.6-85-43.1000114.4
559N30.7Very low29.5Very low150 Ų150148.7 Ų148.780%0.80280%0.795SS**  trans74.8146.3169.5-49.3-36000114.5
560T33.9Very low29.6Very low122 Ų122148.3 Ų148.375%0.74879%0.793SS**  cis-157.1124.139.3-560000113.8
561Q31.9Very low29.5Very low170 Ų170143.7 Ų143.779%0.79478%0.78SS**  trans57.4104.1136.1-149.2167.460.400123.3
562T28.1Very low29.7Very low123 Ų123147.3 Ų147.376%0.75579%0.787SS**  53.4154.6120.6-27.90000124.2
563M28.8Very low29.5Very low162 Ų162147.3 Ų147.380%0.79879%0.788SS**  trans81117.5169.7-54.8-69.6-138.400115.6
564K27.2Very low29.8Very low195 Ų195145.4 Ų145.485%0.84878%0.784SS**  62.89260.4-73.2-167.6174.4-176.80115.1
565I29.7Very low29.7Very low173 Ų173146 Ų14689%0.88778%0.782SS**  trans-138.8134133.7-63.6-172.2000108.7
566S24.3Very low29.6Very low112 Ų112144.8 Ų144.878%0.78378%0.78SS**  trans-127.8124.8163.855.40000108
567M27.5Very low29.6Very low186 Ų186145.5 Ų145.592%0.91678%0.783SS**  trans-157.5167164.6-90.2-123.8-69.500110.5
568S25.5Very low29.2Very low97 Ų97148.1 Ų148.168%0.67878%0.781SS**  trans-146.4166-161.561.10000112.8
569K28.7Very low29.3Very low174 Ų174144.7 Ų144.776%0.75778%0.778SS**  trans83.4157.4163.2-60.8-178.6173.1-175.90118.5
570E28Very low29.5Very low172 Ų172144.5 Ų144.580%0.80478%0.777SS**  trans69.4145156.5-73.2147.1-13100117.8
571A27.5Very low29.6Very low72 Ų72146.9 Ų146.960%0.59578%0.777SS**  cis-166.9-176.1-17.300000111.2
572N32Very low29.6Very low159 Ų159145 Ų14585%0.8577%0.772SS**  trans96103151.7-55.9-33000121.1
573N25.3Very low29.9Very low155 Ų155144.6 Ų144.683%0.82977%0.77SS**  trans-60.1-175.1146.2-106.4-20.5000112.5
574P35.2Very low30Very low106 Ų106141 Ų14169%0.68876%0.761SS**  cis-135.8-166.8-32.238.7-20.8000111.9
575V30.3Very low30.3Very low123 Ų123141.8 Ų141.875%0.74577%0.765SS**  trans-175.6111.3146.91320000109.6
576I29.9Very low30.3Very low146 Ų146136.6 Ų136.675%0.74975%0.754SS**  68.3121.797.4-73.3176.7000113.4
577L31.1Very low30.6Very low150 Ų150142.7 Ų142.779%0.78576%0.76SS**  -157-140.486.6-133.6162000115.1
578R28.4Very low30.8Very low226 Ų226141.1 Ų141.185%0.85376%0.755SS**  trans-105.9165-171.3-72.7158.9-174.3156.91.2112.9
579G30.8Very low31.2Very low65 Ų65141.9 Ų141.967%0.6776%0.761SS**  cis-167-155.55.100000108.5
580N34.6Very low31.3Very low146 Ų146141.7 Ų141.778%0.78176%0.762SS**  cis-163.2169.61.4-79.6-41.4000105.7
581K36.7Very low31.8Very low173 Ų173141.9 Ų141.975%0.75276%0.763SS**  cis-160.5171.31.6-127.8-176.3176.2-178.20108.5
582N33Very low32.1Very low129 Ų129144.4 Ų144.469%0.6977%0.767SS**  trans16.8145.7147.5-60.223000121.6
583T33.4Very low32.2Very low115 Ų115145.3 Ų145.371%0.70676%0.763SS**  cis-172.3123.6117.70000107.3
584S31.1Very low32.7Very low88 Ų88143.9 Ų143.962%0.61576%0.76SS**  90.3131.479.776.90000116.8
585F33.3Very low32.8Very low210 Ų210148 Ų14892%0.92177%0.767SS**  trans64.3161.3171.9-57.6-80.6000117.5
586G29.7Very low33.3Very low65 Ų65147.4 Ų147.467%0.6777%0.765SS**  cis141.8112.5-16.400000116.7
587R31.8Very low33.7Very low239 Ų239147.8 Ų147.890%0.90277%0.767SS**  trans77.7127.5164.8-64.4-178172.4179-2.8121.4
588N30.1Very low33.9Very low154 Ų154146.3 Ų146.382%0.82476%0.76SS**  trans52.4116.5132.1-57.211.7000124.2
589S34.2Very low34.2Very low113 Ų113141.7 Ų141.779%0.7975%0.753SS**  -175101.9128.954.80000109.5
590Q32.1Very low34.3Very low169 Ų169144 Ų14479%0.7976%0.757SS**  45.8110.386.8-77-160.3-0.200117.3
591H37.7Very low34.5Very low177 Ų177144.5 Ų144.582%0.81976%0.755SS**  trans175.4111.7133-101.5-81.6000106.7
592N33.2Very low34.5Very low125 Ų125141.6 Ų141.667%0.66875%0.751SS**  87.8137.150.4-82.9-9.9000116
593F35Very low34.7Very low178 Ų178141.5 Ų141.578%0.78175%0.751SS**  trans84.9116179.5-63.6-89.7000116.5
594V35.9Very low34.9Very low124 Ų124141.7 Ų141.775%0.75275%0.748SS**  75.2128.150.9174.10000111.2
595K36.6Very low35.1Very low193 Ų193145.2 Ų145.284%0.83975%0.752SS**  cis-159.3173.8-10.4-116.4-172.3175.5-176.30107
596P40.5Very low35.3Very low110 Ų110142.2 Ų142.271%0.71474%0.74SS**  trans-93.2168.9-175.138.4-36.8000114.4
597I38Very low35.6Very low154 Ų154147.5 Ų147.579%0.7975%0.748SS**  trans-176.5140.1141.2-102.5159.4000114.6
598N37Very low35.8Very low120 Ų120140 Ų14064%0.64274%0.737SS**  trans53.5119154.4-65.739.3000126.1
599D33Very low36Very low129 Ų129138.7 Ų138.769%0.6974%0.735SS**  69.5156.9113.9-53.1-26.9000125.9
600C34.6Very low35.8Very low113 Ų113140.2 Ų140.276%0.76473%0.734SS**  trans74.4146.3159.1-73.20000119.1
601H37.6Very low35.7Very low157 Ų157138.7 Ų138.773%0.72774%0.737SS**  cis-173.1151.6-31.6-131-31.4000108.4
602T37.8Very low35.6Very low111 Ų111135.7 Ų135.768%0.68173%0.733SS**  trans64.7162158.468.70000117.6
603N36.6Very low35.7Very low127 Ų127134 Ų13468%0.67973%0.731SS**  cis-159.3158-26.2-111.9-24.1000112
604N36.9Very low35.5Very low120 Ų120132 Ų13264%0.64273%0.733SS**  trans64.3121.2143.1-77.8-43.9000123.6
605K36.7Very low35.3Very low162 Ų162131.5 Ų131.570%0.70474%0.735SS**  94.3114.5121.9-76178.5-178.2-1790122.4
606Q37.3Very low35.2Very low146 Ų146127.5 Ų127.568%0.68273%0.732SS**  95.6120.6122.3-76.4173.9-14.500121.3
607Q35.8Very low34.6Very low176 Ų176130.2 Ų130.282%0.82274%0.739SS**  trans65.8138.3140.6-63.2175.67.900118.6
608A34.8Very low34.4Very low81 Ų81130.5 Ų130.567%0.66974%0.741SS**  cis-166.7-169.4-10.100000110
609T34.6Very low34.1Very low127 Ų127130.7 Ų130.778%0.77975%0.746SS**  trans64.978.4159.255.60000120.7
610N30.5Very low34Very low145 Ų145130.4 Ų130.478%0.77575%0.751SS**  56.1142.2119.4-67.8-4.3000124.6
611T30.2Very low33.9Very low138 Ų138130.7 Ų130.785%0.84776%0.755SS**  trans72.8149.617068.10000115.9
612P35.3Very low33.7Very low114 Ų114132.5 Ų132.574%0.7476%0.76SS**  cis-135.6-157.718.242-21.9000115.9
613S35.2Very low33.3Very low90 Ų90135.6 Ų135.663%0.62977%0.772SS**  trans66.2100150.158.70000122.6
614T30.4Very low33Very low136 Ų136139.6 Ų139.683%0.83478%0.779SS**  28.1122.3122.555.30000121.6
615S32.6Very low32.5Very low113 Ų113139.1 Ų139.179%0.7979%0.785SS**  trans-166.8153134.638.40000113.6
616S33.1Very low32.2Very low109 Ų109136.1 Ų136.176%0.76278%0.782SS**  trans37113.8162.853.60000120.9
617L28.9Very low31.7Very low166 Ų166134.3 Ų134.387%0.86979%0.785SS**  trans-78138.3161.5-69.9104.2000112.1
618I32.8Very low31.4Very low161 Ų161135.5 Ų135.583%0.82679%0.788SS**  trans-126.5123.6158.1-61.7177.9000107.3
619T31.4Very low30.9Very low123 Ų123135.9 Ų135.976%0.75579%0.786SS**  trans-105.3118.2-176.834.30000111.9
620P31.2Very low30.5Very low123 Ų123136.7 Ų136.780%0.79979%0.786SS**PPolyproline II helixtrans-73.5138.4171.429.4-32.7000111.1
621S32.8Very low30.4Very low119 Ų119139.6 Ų139.683%0.83279%0.787SS**PPolyproline II helixtrans-73.2126-177.652.50000112.5L623S621-L623 PolarHBondContact O-N 2.65Å
622K33Very low30.2Very low195 Ų195140.4 Ų140.485%0.84879%0.787SS**PPolyproline II helixtrans-67.1125.7176.4-69.1-178176.5-179.60111.9
623L28.8Very low30Very low177 Ų177143.2 Ų143.293%0.92779%0.79SS**PPolyproline II helixtrans-62.7144.9159.1-74.2162.6000109.8S621S621-L623 PolarHBondContact O-N 2.65Å
624Y30Very low29.5Very low211 Ų211143.8 Ų143.883%0.82779%0.789SS**  trans-136.9106.2-176.3-140.3-78000110.7P626Y624-P626 WeakPolarHBondContact O-CD 3.23Å
625S26.6Very low29.4Very low110 Ų110148.2 Ų148.277%0.76979%0.792SS**  trans-107.6105.9-178.7540000111S627S625-S627 PolarHBondContact O-N 2.8Å
626P31.4Very low29.3Very low99 Ų99146.3 Ų146.364%0.64379%0.791SS**  trans-85.398.3179.232.4-32.4000111.5Y624Y624-P626 WeakPolarHBondContact O-CD 3.23Å
627S25.4Very low29.1Very low107 Ų107148 Ų14875%0.74880%0.796SS**  trans-66.9131.516553.80000110.6S625S625-S627 PolarHBondContact O-N 2.8Å
628F30.3Very low29.3Very low201 Ų201147 Ų14788%0.88279%0.791SS**  trans-121.295.2171.8-98.4-81.1000111.5
629S25Very low29.2Very low90 Ų90142.7 Ų142.763%0.62978%0.775SS**  trans-118.3140.9167.155.70000109.3
630N25.5Very low29.4Very low144 Ų144144.4 Ų144.477%0.7778%0.779SS**  trans68.3126.1177.8-51.7-31.4000116.2
631Y29Very low29.7Very low205 Ų205142.7 Ų142.780%0.80477%0.769SS**  -159.795.8123.3-111.6-69.9000110
632N24.9Very low30Very low156 Ų156143.6 Ų143.683%0.83476%0.76SS**  trans-77.3139.6154.5-81.5-20.6000107.9
633Q31.5Very low30.2Very low173 Ų173140.8 Ų140.881%0.80875%0.754SS**  trans-154.8145.1154-116.8165.215.700110.9
634T25.2Very low30.6Very low101 Ų101139.6 Ų139.662%0.6274%0.743SS**  trans-122.2174.8-162.830.30000112.1
635Y28Very low31.1Very low229 Ų229137.5 Ų137.590%0.89874%0.741SS**  trans76.9151.8171.4-41.5-67.8000115.7
636G30.9Very low31.6Very low73 Ų73139.9 Ų139.975%0.75374%0.744SS**  cis-152.7171.93.300000113.6
637T28.8Very low31.9Very low144 Ų144143 Ų14388%0.88375%0.75SS**  trans-85.3151.2-174.240.30000113.7
638I33.5Very low32.6Very low147 Ų147143 Ų14375%0.75475%0.746SS**  trans-131.2144.9165.1-64.7-179.9000107.7
639S30.6Very low32.8Very low69 Ų69144.6 Ų144.648%0.48375%0.746SS.*  trans-79.4147.3-164.258.10000115.4S641 Q642S639-S641 PolarHBondContact O-N 3.24Å; S639-S641 VanDerWaalsContact O-N 3.07Å; S639-S641 PolarHBondContact OG-OG 3.24Å; S639-Q642 PolarHBondContact O-N 3.4Å
640L35.7Very low33.4Very low160 Ų160149.6 Ų149.684%0.83876%0.756SS**G310 helixtrans-53.1-27.2176.2-86.2150.1000114.4Q642 L643L640-Q642 VanDerWaalsContact C-N 3.25Å; L640-Q642 PolarHBondContact O-N 3.07Å; L640-L643 PolarHBondContact O-N 3.27Å
641S37.2Very low33.7Very low87 Ų87154.1 Ų154.161%0.60876%0.763SS**G310 helixtrans-59.1-29.3-179.649.30000114.4S639S639-S641 PolarHBondContact O-N 3.24Å; S639-S641 VanDerWaalsContact O-N 3.07Å; S639-S641 PolarHBondContact OG-OG 3.24Å
642Q39.3Very low33.9Very low137 Ų137148.6 Ų148.664%0.6476%0.759SS**G310 helixtrans-85.9-10-178.3-71.9-173.8-24.500114.4S639 L640S639-Q642 PolarHBondContact O-N 3.4Å; L640-Q642 VanDerWaalsContact C-N 3.25Å; L640-Q642 PolarHBondContact O-N 3.07Å
643L36.5Very low34.4Very low137 Ų137152.8 Ų152.872%0.71778%0.782SS**THydrogen-bonded Turntrans-80.8-25.3177.3-125.578.3000113.1L640 Q645L640-L643 PolarHBondContact O-N 3.27Å; L643-Q645 PolarHBondContact O-N 2.91Å
644H37.9Very low34.5Very low151 Ų151151.8 Ų151.870%0.69978%0.78SS**G310 helixtrans-73.6-25-166.2-148.998.5000114.1
645Q39.2Very low35Very low168 Ų168154.4 Ų154.479%0.78579%0.789SS**G310 helixtrans-83.5-8.2-176.5-70.5-173.9-14.900115L643L643-Q645 PolarHBondContact O-N 2.91Å
646L37Very low35.4Very low159 Ų159150.3 Ų150.383%0.83278%0.783SS**G310 helixtrans-97.5-6.1-179.1-75.3169.8000114.1
647H39Very low35.7Very low164 Ų164154.8 Ų154.876%0.75978%0.784SS**SBendtrans-97.2-5.2-170.5-136.9-83.6000114.9
648T38.9Very low36.1Very low108 Ų108155.5 Ų155.566%0.66378%0.778SS**SBendtrans-109.812.8-166.7510000115.2
649R35.2Very low36.3Very low235 Ų235156.1 Ų156.189%0.88778%0.78SS**SBendtrans-130.134.2-175.1-78-171.7166.9-175.8-3.2115.4
650K37.4Very low36.7Very low195 Ų195162.3 Ų162.385%0.84880%0.801SS**SBendtrans-140.717178.2-89-160.1169.3-168.90116.7
651W31.6Very low36.8Very low239 Ų239162.5 Ų162.591%0.90580%0.798SS**  trans-13369.2175.2-69.185.5000109.8
652A33.3Very low36.7Very low88 Ų88168.8 Ų168.873%0.72781%0.814SS**  trans-158.8125.917200000107.7
653N36Very low36.5Very low244 Ų244171.6 Ų171.6100%1.30583%0.83SS**  trans80.60-160.9-52.3-10.4000114.5

Retrieved 653 of 653 residues in 272.5 ms (Link to these results)

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