A0A096NXU5_PAPAN Loading...

Ubiquilin-4

AlphaFold DB (A0A2K5L544), UniProt , Accession A0A096NXU5, Species PAPAN (Papio anubis, Olive baboon), Gene UBQLN4, Length 601 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
1M42.1Very low45.7Very low238 Ų238128.1 Ų128.1100%1.17277%0.77SS**  01390-82.662.5166.200108.5
2A38.5Very low48.2Very low99 Ų99123.2 Ų123.282%0.81874%0.743SS**  trans-111.5117.8162.500000107.1
3E41.5Very low50.7Low183 Ų183114.7 Ų114.786%0.85569%0.691SS**  trans-93.6123.4168.1-71.9-167.693.600108.8S5E3-S5 PolarHBondContact O-N 2.88Å; E3-S5 VanDerWaalsContact O-N 3.1Å
4P51Low52.9Low128 Ų128115.1 Ų115.183%0.83168%0.675SS**  trans-75.697.1169.230.2-30.9000109.1G6P4-G6 PolarHBondContact O-N 3.28Å
5S43.3Very low55Low121 Ų121107.5 Ų107.585%0.84663%0.63SS**  trans-59.2120.8178.1172.60000112.4E3E3-S5 PolarHBondContact O-N 2.88Å; E3-S5 VanDerWaalsContact O-N 3.1Å
6G42.2Very low56.9Low65 Ų65101.6 Ų101.667%0.6760%0.596SS**  trans63.576.1147.400000117.2P4 E8P4-G6 PolarHBondContact O-N 3.28Å; G6-E8 PolarHBondContact O-N 2.98Å
7A39.3Very low58.6Low92 Ų9295.6 Ų95.676%0.7656%0.561SS**  trans-65.398.5154.200000109.1T9A7-T9 VanDerWaalsContact C-N 3.32Å; A7-T9 PolarHBondContact O-N 3.1Å; A7-T9 PolarHBondContact O-OG1 2.81Å
8E40.9Very low60Low129 Ų12995.3 Ų95.360%0.60355%0.551SS**  trans-62.789.9178.9-168.8-169.8115.100110.1G6 R10G6-E8 PolarHBondContact O-N 2.98Å; E8-R10 VanDerWaalsContact C-N 3.3Å; E8-R10 PolarHBondContact O-N 2.99Å; E8-R10 IonicContact OE1-NE 3.38Å; E8-R10 PolarHBondContact OE1-NE 3.28Å
9T49.5Very low61.3Low130 Ų13091.2 Ų91.280%0.79853%0.528SS*.  trans-79.280.7-174-44.60000109A7A7-T9 VanDerWaalsContact C-N 3.32Å; A7-T9 PolarHBondContact O-N 3.1Å; A7-T9 PolarHBondContact O-OG1 2.81Å
10R52.6Low62.1Low123 Ų12392.5 Ų92.546%0.46454%0.539SS..PPolyproline II helixtrans-56.4148.3171.2-80.7-174176.9-162.7-5.8110.7E8E8-R10 VanDerWaalsContact C-N 3.3Å; E8-R10 PolarHBondContact O-N 2.99Å; E8-R10 IonicContact OE1-NE 3.38Å; E8-R10 PolarHBondContact OE1-NE 3.28Å
11P62.2Low62.5Low101 Ų10196.9 Ų96.966%0.65655%0.552SS**PPolyproline II helixtrans-58.9142-174.824.2-34.6000111.4
12P75.1Confident64.2Low69 Ų6990.7 Ų90.745%0.44852%0.523SS..EExtended strand (participates in β ladder)trans-67.8138.7173.730.8-35000109.9V27 I28P12-V27 HydrophobicContact CB-CG1 3.68Å; P12-V27 HydrophobicContact CG-CG1 3.97Å; P12-I28 CarbonylContact C-O 3.59Å; P12-I28 WeakPolarHBondContact CA-O 3.47Å
13I81.3Confident66.3Low13 Ų1393.2 Ų93.27%0.06752%0.516CS..EExtended strand (participates in β ladder)trans-88.113817757.9169.1000110.4V15 I28 D30 L67 I72 D74I13-V15 HydrophobicContact CD1-CG2 3.82Å; I13-V15 HydrophobicContact CG1-CG2 4.02Å; I13-I28 HydrophobicContact CD1-CG2 4.48Å; I13-I28 HydrophobicContact CG1-CG2 4.04Å; I13-I28 VanDerWaalsContact CG1-O 3.28Å; I13-I28 WeakPolarHBondContact CG1-O 3.43Å; I13-I28 PolarHBondContact N-O 2.98Å; I13-I28 PolarHBondContact O-N 3.35Å; I13-D30 HydrophobicContact CG2-CB 4.21Å; I13-L67 HydrophobicContact CD1-CD1 4.43Å; I13-I72 HydrophobicContact CD1-CG2 4.35Å; I13-D74 HydrophobicContact CB-CB 4.27Å; I13-D74 HydrophobicContact CG2-CB 4.15Å
14R81.7Confident68.2Low121 Ų12187.1 Ų87.146%0.45749%0.487SS..EExtended strand (participates in β ladder)trans-86.1113.2169.5-73.3169.8153.4-104.7-9.3109.2E25 V27 D74 G75R14-E25 HydrophobicContact CB-CG 4.4Å; R14-E25 WeakPolarHBondContact CB-OE1 3.25Å; R14-E25 WeakPolarHBondContact CD-OE1 3.49Å; R14-E25 IonicContact CZ-OE1 2.69Å; R14-E25 IonicContact CZ-OE2 2.7Å; R14-E25 IonicContact NE-OE1 3.94Å; R14-E25 IonicContact NH1-OE1 3.9Å; R14-E25 PolarHBondContact NH1-OE1 3.18Å; R14-E25 IonicContact NH1-OE2 3.58Å; R14-E25 PolarHBondContact NH1-OE2 3.03Å; R14-V27 HydrophobicContact CG-CG2 4.16Å; R14-D74 WeakPolarHBondContact CB-OD2 3.32Å; R14-D74 PolarHBondContact N-OD2 3.02Å; R14-G75 PolarHBondContact O-N 3.46Å
15V83.8Confident69.8Low0 Ų085.1 Ų85.10%047%0.467CS..EExtended strand (participates in β ladder)trans-111.9122.6176.7-171.80000109I13 I26 I28 F37 I72 V78I13-V15 HydrophobicContact CD1-CG2 3.82Å; I13-V15 HydrophobicContact CG1-CG2 4.02Å; V15-I26 PolarHBondContact N-O 2.92Å; V15-I26 PolarHBondContact O-N 3.44Å; V15-I28 HydrophobicContact CG2-CG2 4.23Å; V15-F37 HydrophobicContact CB-CE2 3.97Å; V15-F37 HydrophobicContact CB-CZ 3.77Å; V15-F37 HydrophobicContact CG1-CE1 4.24Å; V15-F37 HydrophobicContact CG1-CE2 4.24Å; V15-F37 HydrophobicContact CG1-CZ 3.52Å; V15-F37 HydrophobicContact CG2-CE2 4.44Å; V15-F37 HydrophobicContact CG2-CZ 4.44Å; V15-I72 HydrophobicContact CB-CG2 4.47Å; V15-I72 HydrophobicContact CG1-CG2 3.89Å; V15-I72 HydrophobicContact CG2-CG2 3.66Å; V15-V78 HydrophobicContact CG1-CB 4.43Å; V15-V78 HydrophobicContact CG1-CG2 3.6Å
16T85Confident71.6Confident14 Ų1479.7 Ų79.79%0.08643%0.428CS..EExtended strand (participates in β ladder)trans-81.2123.9175-70.70000109.5K23 L76 T77 V78T16-K23 HydrophobicContact CG2-CD 4.16Å; T16-K23 HydrophobicContact CG2-CG 3.85Å; T16-L76 PolarHBondContact N-O 3.42Å; T16-T77 HydrophobicContact CG2-CG2 3.95Å; T16-T77 CarbonylContact O-C 3.45Å; T16-T77 VanDerWaalsContact O-CA 3.27Å; T16-T77 WeakPolarHBondContact O-CA 3.47Å; T16-V78 PolarHBondContact O-N 2.79Å
17V86.9Confident73.6Confident0 Ų080.4 Ų80.40%042%0.42CS..EExtended strand (participates in β ladder)trans-107.1114.2177.2-177.40000109.3K23 E24 I26 F37 I41 F45 V78 L80V17-K23 WeakPolarHBondContact O-CA 3.39Å; V17-E24 PolarHBondContact N-O 2.69Å; V17-E24 PolarHBondContact O-N 3.2Å; V17-I26 HydrophobicContact CG2-CD1 3.98Å; V17-I26 HydrophobicContact CG2-CG1 4.37Å; V17-F37 HydrophobicContact CG2-CE1 4.31Å; V17-F37 HydrophobicContact CG2-CE2 4.27Å; V17-F37 HydrophobicContact CG2-CZ 3.57Å; V17-I41 HydrophobicContact CG1-CD1 4.26Å; V17-I41 HydrophobicContact CG2-CD1 3.98Å; V17-I41 HydrophobicContact CG2-CG1 4.23Å; V17-F45 HydrophobicContact CB-CE2 4.22Å; V17-F45 HydrophobicContact CB-CZ 4.39Å; V17-F45 HydrophobicContact CG1-CE2 3.89Å; V17-F45 HydrophobicContact CG1-CZ 4.09Å; V17-V78 WeakPolarHBondContact CA-O 3.33Å; V17-L80 HydrophobicContact CG1-CB 3.6Å; V17-L80 HydrophobicContact CG1-CD2 3.59Å; V17-L80 HydrophobicContact CG1-CG 4.22Å
18K83.9Confident75.5Confident89 Ų8977 Ų7739%0.38739%0.388SS..EExtended strand (participates in β ladder)trans-101113.2174.5-83.717768-1570110.6K23 T77 V78 H79 L80K18-K23 HydrophobicContact CG-CB 4.27Å; K18-K23 HydrophobicContact CG-CG 3.98Å; K18-T77 HydrophobicContact CB-CG2 4.36Å; K18-T77 HydrophobicContact CD-CG2 3.69Å; K18-T77 HydrophobicContact CG-CG2 3.97Å; K18-V78 PolarHBondContact N-O 2.89Å; K18-H79 PolarHBondContact NZ-NE2 3.33Å; K18-H79 CarbonylContact O-C 3.5Å; K18-H79 WeakPolarHBondContact O-CA 3.24Å; K18-L80 PolarHBondContact O-N 3.42Å
19T83.5Confident77.2Confident18 Ų1874.2 Ų74.211%0.1138%0.383CS..  trans-87.2167.3161.664.10000110.3K21 D22 F45 L80T19-K21 PolarHBondContact O-N 3.03Å; T19-K21 VanDerWaalsContact O-N 3.09Å; T19-K21 PolarHBondContact OG1-N 3.11Å; T19-D22 PolarHBondContact N-O 3.4Å; T19-D22 WeakPolarHBondContact OG1-CA 3.39Å; T19-D22 PolarHBondContact OG1-N 2.64Å; T19-D22 PolarHBondContact OG1-O 3.27Å; T19-F45 HydrophobicContact CG2-CD1 3.67Å; T19-F45 HydrophobicContact CG2-CE1 3.38Å; T19-F45 HydrophobicContact CG2-CG 4.45Å; T19-F45 HydrophobicContact CG2-CZ 3.95Å; T19-L80 WeakPolarHBondContact CA-O 3.41Å; T19-L80 HydrophobicContact CG2-CB 3.94Å; T19-L80 HydrophobicContact CG2-CD2 3.64Å; T19-L80 HydrophobicContact CG2-CG 3.98Å
20P76.9Confident78Confident116 Ų11669 Ų6975%0.75335%0.35SS*.SBendtrans-64.7-1.7170.825.3-36.8000115.3L80P20-L80 WeakPolarHBondContact CD-O 3.47Å
21K71.1Confident78.7Confident186 Ų18670.8 Ų70.881%0.80936%0.356SS*.SBendtrans-122.3-39.5178.8-68-170.7171.7-174.40113.4T19T19-K21 PolarHBondContact O-N 3.03Å; T19-K21 VanDerWaalsContact O-N 3.09Å; T19-K21 PolarHBondContact OG1-N 3.11Å
22D77.9Confident79.4Confident107 Ų10766.3 Ų66.357%0.57233%0.328SS*.  trans-138.1153.5-169.7-65.7-86.2000112.3T19 F45T19-D22 PolarHBondContact N-O 3.4Å; T19-D22 WeakPolarHBondContact OG1-CA 3.39Å; T19-D22 PolarHBondContact OG1-N 2.64Å; T19-D22 PolarHBondContact OG1-O 3.27Å; D22-F45 HydrophobicContact CB-CE1 4.26Å
23K82.8Confident79.7Confident152 Ų15264.4 Ų64.466%0.66132%0.316SS*.EExtended strand (participates in β ladder)trans-119.6121.5174178.9-165.2179-165.40108.6T16 V17 K18T16-K23 HydrophobicContact CG2-CD 4.16Å; T16-K23 HydrophobicContact CG2-CG 3.85Å; V17-K23 WeakPolarHBondContact O-CA 3.39Å; K18-K23 HydrophobicContact CG-CB 4.27Å; K18-K23 HydrophobicContact CG-CG 3.98Å
24E81.3Confident79.7Confident55 Ų5563.8 Ų63.826%0.25731%0.313SS..EExtended strand (participates in β ladder)trans-127.1148.9176.4-160.6168.9170.500110.8V17 R44 F45V17-E24 PolarHBondContact N-O 2.69Å; V17-E24 PolarHBondContact O-N 3.2Å; E24-R44 VanDerWaalsContact OE1-CD 3.25Å; E24-R44 WeakPolarHBondContact OE1-CD 3.28Å; E24-R44 WeakPolarHBondContact OE1-CG 3.22Å; E24-R44 IonicContact OE1-CZ 3.52Å; E24-R44 IonicContact OE1-NE 3.7Å; E24-R44 IonicContact OE1-NH1 2.69Å; E24-R44 PolarHBondContact OE1-NH1 3.41Å; E24-R44 WeakPolarHBondContact OE2-CB 3.28Å; E24-F45 HydrophobicContact CB-CE1 4.49Å; E24-F45 HydrophobicContact CB-CE2 3.98Å; E24-F45 HydrophobicContact CB-CZ 3.61Å
25E84Confident79.6Confident87 Ų8763.7 Ų63.741%0.40732%0.316SS..EExtended strand (participates in β ladder)trans-104.6125.7177.2-173.8-178.6-150.800109.3R14R14-E25 HydrophobicContact CB-CG 4.4Å; R14-E25 WeakPolarHBondContact CB-OE1 3.25Å; R14-E25 WeakPolarHBondContact CD-OE1 3.49Å; R14-E25 IonicContact CZ-OE1 2.69Å; R14-E25 IonicContact CZ-OE2 2.7Å; R14-E25 IonicContact NE-OE1 3.94Å; R14-E25 IonicContact NH1-OE1 3.9Å; R14-E25 PolarHBondContact NH1-OE1 3.18Å; R14-E25 IonicContact NH1-OE2 3.58Å; R14-E25 PolarHBondContact NH1-OE2 3.03Å
26I82.4Confident79.6Confident6 Ų668.7 Ų68.73%0.03134%0.339CS..EExtended strand (participates in β ladder)trans-117.5130.2-176.9-62.3-179.3000108.9V15 V17 F37 E40 I41 R44 F45V15-I26 PolarHBondContact N-O 2.92Å; V15-I26 PolarHBondContact O-N 3.44Å; V17-I26 HydrophobicContact CG2-CD1 3.98Å; V17-I26 HydrophobicContact CG2-CG1 4.37Å; I26-F37 HydrophobicContact CB-CE2 4.11Å; I26-F37 HydrophobicContact CG2-CD2 4.31Å; I26-F37 HydrophobicContact CG2-CE2 3.96Å; I26-E40 HydrophobicContact CG2-CB 4.12Å; I26-E40 HydrophobicContact CG2-CG 3.71Å; I26-I41 HydrophobicContact CD1-CB 4.23Å; I26-I41 HydrophobicContact CD1-CD1 4.42Å; I26-I41 HydrophobicContact CD1-CG1 3.31Å; I26-R44 HydrophobicContact CD1-CG 4.4Å; I26-F45 HydrophobicContact CD1-CE2 4.44Å
27V82.9Confident79.5Confident81 Ų8168 Ų6849%0.49134%0.336SS..EExtended strand (participates in β ladder)trans-98116.9179.1-177.80000107.8P12 R14P12-V27 HydrophobicContact CB-CG1 3.68Å; P12-V27 HydrophobicContact CG-CG1 3.97Å; R14-V27 HydrophobicContact CG-CG2 4.16Å
28I80.4Confident79.3Confident19 Ų1968.8 Ų68.810%0.09734%0.339CS..EExtended strand (participates in β ladder)trans-139.1155.4-177.4-167.3162.2000111.3P12 I13 V15 A32 E36 F37 L67P12-I28 CarbonylContact C-O 3.59Å; P12-I28 WeakPolarHBondContact CA-O 3.47Å; I13-I28 HydrophobicContact CD1-CG2 4.48Å; I13-I28 HydrophobicContact CG1-CG2 4.04Å; I13-I28 VanDerWaalsContact CG1-O 3.28Å; I13-I28 WeakPolarHBondContact CG1-O 3.43Å; I13-I28 PolarHBondContact N-O 2.98Å; I13-I28 PolarHBondContact O-N 3.35Å; V15-I28 HydrophobicContact CG2-CG2 4.23Å; I28-A32 HydrophobicContact CD1-CB 3.66Å; I28-A32 HydrophobicContact CG1-CB 3.59Å; I28-E36 HydrophobicContact CD1-CB 4.42Å; I28-F37 HydrophobicContact CB-CD2 4.36Å; I28-F37 VanDerWaalsContact CD1-CA 3.44Å; I28-F37 HydrophobicContact CD1-CB 3.72Å; I28-F37 HydrophobicContact CD1-CD2 3.77Å; I28-F37 HydrophobicContact CD1-CG 4.21Å; I28-F37 HydrophobicContact CG2-CD2 3.9Å; I28-F37 HydrophobicContact CG2-CE2 4.16Å; I28-L67 HydrophobicContact CD1-CD1 4.29Å; I28-L67 HydrophobicContact CG2-CD1 3.61Å
29C75.1Confident79.3Confident72 Ų7268.4 Ų68.449%0.48634%0.338SS..EExtended strand (participates in β ladder)trans-70.1139.9178.1-660000111.9R31 A32C29-R31 PolarHBondContact O-N 3.05Å; C29-R31 VanDerWaalsContact O-N 3.09Å; C29-A32 WeakPolarHBondContact O-CB 3.5Å; C29-A32 PolarHBondContact O-N 2.81Å
30D67.2Low79.3Confident20 Ų2070.7 Ų70.711%0.10735%0.348CS..THydrogen-bonded Turntrans-53.8-29.2179.3175.853.3000114.4I13 N68I13-D30 HydrophobicContact CG2-CB 4.21Å; D30-N68 VanDerWaalsContact CG-ND2 3.33Å; D30-N68 PolarHBondContact OD1-ND2 2.95Å; D30-N68 PolarHBondContact OD2-ND2 3.37Å
31R68.3Low79.6Confident160 Ų16065.1 Ų65.160%0.60431%0.312SS*.THydrogen-bonded Turntrans-93.42.1178.4-70.7-176.4170.3142.9-2.2114.5C29C29-R31 PolarHBondContact O-N 3.05Å; C29-R31 VanDerWaalsContact O-N 3.09Å
32A75.3Confident80.1Confident8 Ų857.4 Ų57.47%0.06628%0.281CS..  trans-68146.3179.600000111.7I28 C29 E36I28-A32 HydrophobicContact CD1-CB 3.66Å; I28-A32 HydrophobicContact CG1-CB 3.59Å; C29-A32 WeakPolarHBondContact O-CB 3.5Å; C29-A32 PolarHBondContact O-N 2.81Å; A32-E36 HydrophobicContact CB-CB 4.3Å
33S81.8Confident80.4Confident28 Ų2859.9 Ų59.920%0.19628%0.282CS..BIsolated β-bridgetrans-71156.5172.161.90000111.7K35 E36 F37S33-K35 PolarHBondContact O-N 2.77Å; S33-E36 WeakPolarHBondContact CB-OE2 3.19Å; S33-E36 PolarHBondContact N-OE2 3.16Å; S33-E36 PolarHBondContact O-N 2.79Å; S33-E36 VanDerWaalsContact O-N 3.16Å; S33-E36 WeakPolarHBondContact OG-CG 3.36Å; S33-E36 PolarHBondContact OG-N 2.65Å; S33-E36 PolarHBondContact OG-OE2 3.18Å; S33-F37 PolarHBondContact O-N 3.23Å; S33-F37 VanDerWaalsContact O-N 3.09Å
34V81.4Confident80.3Confident0 Ų059 Ų590%028%0.275CS..Hα-helixtrans-58.1-28.9169.3169.40000111.4F37 K38 L54 L61 K62 D65 L67V34-F37 PolarHBondContact O-N 3.21Å; V34-K38 HydrophobicContact CG1-CG 4.49Å; V34-K38 WeakPolarHBondContact O-CB 3.39Å; V34-K38 WeakPolarHBondContact O-CG 3.44Å; V34-K38 PolarHBondContact O-N 3.43Å; V34-L54 HydrophobicContact CG1-CD1 3.92Å; V34-L61 HydrophobicContact CG1-CB 4.09Å; V34-L61 HydrophobicContact CG2-CB 4.03Å; V34-L61 HydrophobicContact CG2-CD2 3.73Å; V34-L61 HydrophobicContact CG2-CG 4.34Å; V34-K62 VanDerWaalsContact CB-O 3.28Å; V34-K62 WeakPolarHBondContact CB-O 3.24Å; V34-K62 WeakPolarHBondContact CG1-O 3.48Å; V34-D65 VanDerWaalsContact CG2-O 3.29Å; V34-D65 WeakPolarHBondContact CG2-O 3.43Å; V34-D65 PolarHBondContact N-O 2.92Å; V34-L67 HydrophobicContact CG2-CD2 4.1Å
35K80.6Confident80Confident119 Ų11958.1 Ų58.152%0.51727%0.27SS..Hα-helixtrans-62.1-48.3173.4-171.2-176.7177.6-174.90112.8S33 F37 K38 E39 D63S33-K35 PolarHBondContact O-N 2.77Å; K35-F37 VanDerWaalsContact C-N 3.31Å; K35-F37 PolarHBondContact O-N 3.09Å; K35-K38 WeakPolarHBondContact O-CB 3.41Å; K35-K38 PolarHBondContact O-N 3.17Å; K35-E39 PolarHBondContact O-N 3.32Å; K35-D63 HydrophobicContact CB-CB 4.23Å
36E83.2Confident79.8Confident105 Ų10563.1 Ų63.149%0.49129%0.291SS..Hα-helixtrans-65.3-37176.3-70.6158120.500111.2I28 A32 S33 E39 E40I28-E36 HydrophobicContact CD1-CB 4.42Å; A32-E36 HydrophobicContact CB-CB 4.3Å; S33-E36 WeakPolarHBondContact CB-OE2 3.19Å; S33-E36 PolarHBondContact N-OE2 3.16Å; S33-E36 PolarHBondContact O-N 2.79Å; S33-E36 VanDerWaalsContact O-N 3.16Å; S33-E36 WeakPolarHBondContact OG-CG 3.36Å; S33-E36 PolarHBondContact OG-N 2.65Å; S33-E36 PolarHBondContact OG-OE2 3.18Å; E36-E39 WeakPolarHBondContact O-CB 3.36Å; E36-E39 PolarHBondContact O-N 2.83Å; E36-E39 VanDerWaalsContact O-N 3.17Å; E36-E40 PolarHBondContact O-N 3.07Å
37F83.6Confident79.5Confident1 Ų163.6 Ų63.60%0.00430%0.295CS..Hα-helixtrans-64.3-43.3173.9-168.2-131.9000112.5V15 V17 I26 I28 S33 V34 K35 E39 E40 I41 L54 L67 V78V15-F37 HydrophobicContact CB-CE2 3.97Å; V15-F37 HydrophobicContact CB-CZ 3.77Å; V15-F37 HydrophobicContact CG1-CE1 4.24Å; V15-F37 HydrophobicContact CG1-CE2 4.24Å; V15-F37 HydrophobicContact CG1-CZ 3.52Å; V15-F37 HydrophobicContact CG2-CE2 4.44Å; V15-F37 HydrophobicContact CG2-CZ 4.44Å; V17-F37 HydrophobicContact CG2-CE1 4.31Å; V17-F37 HydrophobicContact CG2-CE2 4.27Å; V17-F37 HydrophobicContact CG2-CZ 3.57Å; I26-F37 HydrophobicContact CB-CE2 4.11Å; I26-F37 HydrophobicContact CG2-CD2 4.31Å; I26-F37 HydrophobicContact CG2-CE2 3.96Å; I28-F37 HydrophobicContact CB-CD2 4.36Å; I28-F37 VanDerWaalsContact CD1-CA 3.44Å; I28-F37 HydrophobicContact CD1-CB 3.72Å; I28-F37 HydrophobicContact CD1-CD2 3.77Å; I28-F37 HydrophobicContact CD1-CG 4.21Å; I28-F37 HydrophobicContact CG2-CD2 3.9Å; I28-F37 HydrophobicContact CG2-CE2 4.16Å; S33-F37 PolarHBondContact O-N 3.23Å; S33-F37 VanDerWaalsContact O-N 3.09Å; V34-F37 PolarHBondContact O-N 3.21Å; K35-F37 VanDerWaalsContact C-N 3.31Å; K35-F37 PolarHBondContact O-N 3.09Å; F37-E39 VanDerWaalsContact C-N 3.27Å; F37-E39 PolarHBondContact O-N 3.49Å; F37-E40 PolarHBondContact O-N 3.01Å; F37-I41 HydrophobicContact CD1-CD1 3.74Å; F37-I41 HydrophobicContact CD2-CD1 4.31Å; F37-I41 HydrophobicContact CE1-CD1 3.62Å; F37-I41 HydrophobicContact CE2-CD1 4.19Å; F37-I41 HydrophobicContact CG-CD1 4.1Å; F37-I41 HydrophobicContact CZ-CD1 3.85Å; F37-I41 WeakPolarHBondContact O-CB 3.19Å; F37-I41 WeakPolarHBondContact O-CG1 3.46Å; F37-I41 PolarHBondContact O-N 3.38Å; F37-L54 HydrophobicContact CD1-CD1 3.88Å; F37-L54 HydrophobicContact CD1-CD2 4.16Å; F37-L54 HydrophobicContact CE1-CD1 4.42Å; F37-L54 HydrophobicContact CE1-CD2 3.86Å; F37-L67 HydrophobicContact CB-CD1 4.16Å; F37-L67 HydrophobicContact CB-CD2 4.03Å; F37-L67 HydrophobicContact CB-CG 4.5Å; F37-L67 HydrophobicContact CD1-CD2 3.63Å; F37-L67 HydrophobicContact CD2-CD1 4.34Å; F37-L67 HydrophobicContact CE1-CD2 4.25Å; F37-L67 HydrophobicContact CG-CD1 4.15Å; F37-L67 HydrophobicContact CG-CD2 3.91Å; F37-V78 HydrophobicContact CE1-CG2 4.42Å
38K81.5Confident79Confident16 Ų1666 Ų667%0.0730%0.301CS..Hα-helixtrans-60.5-35.6170.6-83.8-177.6163.8-162.90112.4V34 K35 S42 Q49 L52 L54 D63V34-K38 HydrophobicContact CG1-CG 4.49Å; V34-K38 WeakPolarHBondContact O-CB 3.39Å; V34-K38 WeakPolarHBondContact O-CG 3.44Å; V34-K38 PolarHBondContact O-N 3.43Å; K35-K38 WeakPolarHBondContact O-CB 3.41Å; K35-K38 PolarHBondContact O-N 3.17Å; K38-S42 WeakPolarHBondContact O-CB 3.23Å; K38-S42 PolarHBondContact O-N 2.71Å; K38-S42 PolarHBondContact O-OG 3.06Å; K38-Q49 HydrophobicContact CB-CB 4.4Å; K38-Q49 HydrophobicContact CB-CG 4.33Å; K38-Q49 PolarHBondContact NZ-O 3.49Å; K38-L52 WeakPolarHBondContact CE-O 3.39Å; K38-L52 PolarHBondContact NZ-O 2.91Å; K38-L54 HydrophobicContact CG-CD1 3.64Å; K38-D63 VanDerWaalsContact CD-OD1 3.23Å; K38-D63 WeakPolarHBondContact CD-OD1 3.47Å; K38-D63 WeakPolarHBondContact CE-OD1 3.38Å; K38-D63 IonicContact NZ-OD1 3.8Å; K38-D63 PolarHBondContact NZ-OD1 2.81Å; K38-D63 IonicContact NZ-OD2 3.41Å; K38-D63 PolarHBondContact NZ-OD2 3.45Å
39E85.1Confident79Confident81 Ų8167.8 Ų67.838%0.37931%0.309SS..Hα-helixtrans-64.2-50176.1-174.4168.3158.600111.2K35 E36 F37 I41 S42 R43 Q49K35-E39 PolarHBondContact O-N 3.32Å; E36-E39 WeakPolarHBondContact O-CB 3.36Å; E36-E39 PolarHBondContact O-N 2.83Å; E36-E39 VanDerWaalsContact O-N 3.17Å; F37-E39 VanDerWaalsContact C-N 3.27Å; F37-E39 PolarHBondContact O-N 3.49Å; E39-I41 VanDerWaalsContact C-N 3.31Å; E39-I41 PolarHBondContact O-N 3.4Å; E39-S42 WeakPolarHBondContact CA-OG 3.47Å; E39-S42 PolarHBondContact O-N 3.3Å; E39-S42 VanDerWaalsContact O-N 3.11Å; E39-S42 PolarHBondContact O-OG 2.93Å; E39-R43 WeakPolarHBondContact O-CB 3.45Å; E39-R43 PolarHBondContact O-N 2.95Å; E39-R43 IonicContact OE1-NH2 2.88Å; E39-R43 PolarHBondContact OE1-NH2 2.85Å; E39-Q49 VanDerWaalsContact CB-NE2 3.31Å
40E82.2Confident79.1Confident65 Ų6571.4 Ų71.430%0.30432%0.324SS..Hα-helixtrans-63.6-39.9179.8-159.456.7-139.600111.2I26 E36 F37 R43 R44I26-E40 HydrophobicContact CG2-CB 4.12Å; I26-E40 HydrophobicContact CG2-CG 3.71Å; E36-E40 PolarHBondContact O-N 3.07Å; F37-E40 PolarHBondContact O-N 3.01Å; E40-R43 WeakPolarHBondContact O-CB 3.35Å; E40-R43 PolarHBondContact O-N 3.05Å; E40-R44 WeakPolarHBondContact O-CG 3.48Å; E40-R44 PolarHBondContact O-N 2.96Å
41I83.2Confident79.8Confident0 Ų072.1 Ų72.10%033%0.326CS..Hα-helixtrans-60.3-46.8170.5-72.9170.9000111.9V17 I26 F37 E39 R43 R44 F45 L52 L54 L80V17-I41 HydrophobicContact CG1-CD1 4.26Å; V17-I41 HydrophobicContact CG2-CD1 3.98Å; V17-I41 HydrophobicContact CG2-CG1 4.23Å; I26-I41 HydrophobicContact CD1-CB 4.23Å; I26-I41 HydrophobicContact CD1-CD1 4.42Å; I26-I41 HydrophobicContact CD1-CG1 3.31Å; F37-I41 HydrophobicContact CD1-CD1 3.74Å; F37-I41 HydrophobicContact CD2-CD1 4.31Å; F37-I41 HydrophobicContact CE1-CD1 3.62Å; F37-I41 HydrophobicContact CE2-CD1 4.19Å; F37-I41 HydrophobicContact CG-CD1 4.1Å; F37-I41 HydrophobicContact CZ-CD1 3.85Å; F37-I41 WeakPolarHBondContact O-CB 3.19Å; F37-I41 WeakPolarHBondContact O-CG1 3.46Å; F37-I41 PolarHBondContact O-N 3.38Å; E39-I41 VanDerWaalsContact C-N 3.31Å; E39-I41 PolarHBondContact O-N 3.4Å; I41-R43 PolarHBondContact O-N 2.88Å; I41-R44 PolarHBondContact O-N 2.9Å; I41-F45 HydrophobicContact CG2-CD2 3.83Å; I41-F45 HydrophobicContact CG2-CE2 4.47Å; I41-F45 WeakPolarHBondContact O-CB 3.02Å; I41-F45 PolarHBondContact O-N 3.18Å; I41-L52 HydrophobicContact CG2-CD1 3.78Å; I41-L52 HydrophobicContact CG2-CD2 3.84Å; I41-L52 HydrophobicContact CG2-CG 4.39Å; I41-L54 HydrophobicContact CD1-CD1 4.3Å; I41-L54 HydrophobicContact CD1-CD2 3.64Å; I41-L54 HydrophobicContact CD1-CG 4.43Å; I41-L80 HydrophobicContact CG2-CD1 4.25Å; I41-L80 HydrophobicContact CG2-CD2 3.33Å; I41-L80 HydrophobicContact CG2-CG 4.43Å
42S82.6Confident80.4Confident23 Ų2364.5 Ų64.516%0.16130%0.298CS..Hα-helixtrans-60.9-34.2-179.269.70000112K38 E39 K46 A47K38-S42 WeakPolarHBondContact O-CB 3.23Å; K38-S42 PolarHBondContact O-N 2.71Å; K38-S42 PolarHBondContact O-OG 3.06Å; E39-S42 WeakPolarHBondContact CA-OG 3.47Å; E39-S42 PolarHBondContact O-N 3.3Å; E39-S42 VanDerWaalsContact O-N 3.11Å; E39-S42 PolarHBondContact O-OG 2.93Å; S42-K46 VanDerWaalsContact O-CA 3.24Å; S42-K46 WeakPolarHBondContact O-CA 3.38Å; S42-K46 PolarHBondContact O-N 3.03Å; S42-A47 VanDerWaalsContact CA-O 3.24Å; S42-A47 WeakPolarHBondContact CA-O 3Å; S42-A47 WeakPolarHBondContact CB-O 3.05Å; S42-A47 PolarHBondContact O-N 3.23Å
43R83.8Confident80.8Confident159 Ų15965.3 Ų65.360%0.630%0.302SS*.Hα-helixtrans-72-40176.9-166.9176.5-63.7-153.12.9112.2E39 E40 I41E39-R43 WeakPolarHBondContact O-CB 3.45Å; E39-R43 PolarHBondContact O-N 2.95Å; E39-R43 IonicContact OE1-NH2 2.88Å; E39-R43 PolarHBondContact OE1-NH2 2.85Å; E40-R43 WeakPolarHBondContact O-CB 3.35Å; E40-R43 PolarHBondContact O-N 3.05Å; I41-R43 PolarHBondContact O-N 2.88Å
44R79.6Confident80.9Confident134 Ų13464 Ų6451%0.50629%0.292SS..Hα-helixtrans-73.8-54.1176.5-70-50.4-170.3121.3-9.3113.5E24 I26 E40 I41 K46E24-R44 VanDerWaalsContact OE1-CD 3.25Å; E24-R44 WeakPolarHBondContact OE1-CD 3.28Å; E24-R44 WeakPolarHBondContact OE1-CG 3.22Å; E24-R44 IonicContact OE1-CZ 3.52Å; E24-R44 IonicContact OE1-NE 3.7Å; E24-R44 IonicContact OE1-NH1 2.69Å; E24-R44 PolarHBondContact OE1-NH1 3.41Å; E24-R44 WeakPolarHBondContact OE2-CB 3.28Å; I26-R44 HydrophobicContact CD1-CG 4.4Å; E40-R44 WeakPolarHBondContact O-CG 3.48Å; E40-R44 PolarHBondContact O-N 2.96Å; I41-R44 PolarHBondContact O-N 2.9Å; R44-K46 VanDerWaalsContact C-N 3.34Å; R44-K46 PolarHBondContact O-N 2.74Å
45F76.1Confident81.1Confident36 Ų3666.4 Ų66.416%0.15831%0.305CS..Hα-helixtrans-85-0.6-175.8-69.5-88.4000114.3V17 T19 D22 E24 I26 I41 A47 L80V17-F45 HydrophobicContact CB-CE2 4.22Å; V17-F45 HydrophobicContact CB-CZ 4.39Å; V17-F45 HydrophobicContact CG1-CE2 3.89Å; V17-F45 HydrophobicContact CG1-CZ 4.09Å; T19-F45 HydrophobicContact CG2-CD1 3.67Å; T19-F45 HydrophobicContact CG2-CE1 3.38Å; T19-F45 HydrophobicContact CG2-CG 4.45Å; T19-F45 HydrophobicContact CG2-CZ 3.95Å; D22-F45 HydrophobicContact CB-CE1 4.26Å; E24-F45 HydrophobicContact CB-CE1 4.49Å; E24-F45 HydrophobicContact CB-CE2 3.98Å; E24-F45 HydrophobicContact CB-CZ 3.61Å; I26-F45 HydrophobicContact CD1-CE2 4.44Å; I41-F45 HydrophobicContact CG2-CD2 3.83Å; I41-F45 HydrophobicContact CG2-CE2 4.47Å; I41-F45 WeakPolarHBondContact O-CB 3.02Å; I41-F45 PolarHBondContact O-N 3.18Å; F45-A47 VanDerWaalsContact C-N 3.26Å; F45-A47 PolarHBondContact O-N 2.8Å; F45-L80 HydrophobicContact CD2-CD2 4.07Å; F45-L80 HydrophobicContact CE2-CD2 4.2Å; F45-L80 HydrophobicContact CG-CD2 4.32Å
46K78.9Confident81.1Confident193 Ų19362.2 Ų62.284%0.83929%0.287SS*.  trans53.934.8179.1-60.2180179.6174.20114.6S42 R44S42-K46 VanDerWaalsContact O-CA 3.24Å; S42-K46 WeakPolarHBondContact O-CA 3.38Å; S42-K46 PolarHBondContact O-N 3.03Å; R44-K46 VanDerWaalsContact C-N 3.34Å; R44-K46 PolarHBondContact O-N 2.74Å
47A76.1Confident80.7Confident15 Ų1561.2 Ų61.212%0.12430%0.297CS..  trans-122.3148179.300000110.4S42 F45 L52 I82S42-A47 VanDerWaalsContact CA-O 3.24Å; S42-A47 WeakPolarHBondContact CA-O 3Å; S42-A47 WeakPolarHBondContact CB-O 3.05Å; S42-A47 PolarHBondContact O-N 3.23Å; F45-A47 VanDerWaalsContact C-N 3.26Å; F45-A47 PolarHBondContact O-N 2.8Å; A47-L52 HydrophobicContact CB-CD2 4.1Å; A47-L52 HydrophobicContact CB-CG 4.36Å; A47-L52 WeakPolarHBondContact O-CD1 3.45Å; A47-I82 HydrophobicContact CB-CD1 4.07Å; A47-I82 HydrophobicContact CB-CG1 4.47Å; A47-I82 HydrophobicContact CB-CG2 4.07Å
48Q73.9Confident80.2Confident132 Ų13264.8 Ų64.862%0.61733%0.333SS*.  trans-70.1143.9-176.1-64-173.3-74.900112.6D50 Q51 L52Q48-D50 PolarHBondContact O-N 3.09Å; Q48-Q51 HydrophobicContact CB-CG 4.33Å; Q48-Q51 WeakPolarHBondContact O-CB 3.29Å; Q48-Q51 PolarHBondContact O-N 2.87Å; Q48-L52 WeakPolarHBondContact O-CG 3.31Å; Q48-L52 PolarHBondContact O-N 3.21Å
49Q79.3Confident79.9Confident56 Ų5670.7 Ų70.726%0.26236%0.359SS..THydrogen-bonded Turntrans-52.3-30.8179.1-62.3178.812.800114.2K38 E39K38-Q49 HydrophobicContact CB-CB 4.4Å; K38-Q49 HydrophobicContact CB-CG 4.33Å; K38-Q49 PolarHBondContact NZ-O 3.49Å; E39-Q49 VanDerWaalsContact CB-NE2 3.31Å
50D77.8Confident79.9Confident149 Ų14971.9 Ų71.980%0.79737%0.367SS*.THydrogen-bonded Turntrans-71.9-34.8177.5-166.4-104.7000113.1Q48 L52Q48-D50 PolarHBondContact O-N 3.09Å; D50-L52 VanDerWaalsContact C-N 3.31Å
51Q81.5Confident79.6Confident35 Ų3569 Ų6916%0.16435%0.354CS..THydrogen-bonded Turntrans-78.9-16.6177.9-62.617540.200112.4Q48 I82 K83Q48-Q51 HydrophobicContact CB-CG 4.33Å; Q48-Q51 WeakPolarHBondContact O-CB 3.29Å; Q48-Q51 PolarHBondContact O-N 2.87Å; Q51-I82 HydrophobicContact CB-CG2 4.3Å; Q51-I82 WeakPolarHBondContact O-CA 3.28Å; Q51-K83 WeakPolarHBondContact CB-O 3.47Å; Q51-K83 WeakPolarHBondContact CG-O 3.28Å; Q51-K83 PolarHBondContact O-N 3.16Å
52L82Confident79.3Confident0 Ų076 Ų760%038%0.384CS..EExtended strand (participates in β ladder)trans-86.2114.4-173.9-70.4165.9000110.9K38 I41 A47 Q48 D50 L80 I82K38-L52 WeakPolarHBondContact CE-O 3.39Å; K38-L52 PolarHBondContact NZ-O 2.91Å; I41-L52 HydrophobicContact CG2-CD1 3.78Å; I41-L52 HydrophobicContact CG2-CD2 3.84Å; I41-L52 HydrophobicContact CG2-CG 4.39Å; A47-L52 HydrophobicContact CB-CD2 4.1Å; A47-L52 HydrophobicContact CB-CG 4.36Å; A47-L52 WeakPolarHBondContact O-CD1 3.45Å; Q48-L52 WeakPolarHBondContact O-CG 3.31Å; Q48-L52 PolarHBondContact O-N 3.21Å; D50-L52 VanDerWaalsContact C-N 3.31Å; L52-L80 HydrophobicContact CB-CD1 4.12Å; L52-L80 HydrophobicContact CD2-CD1 3.68Å; L52-L80 HydrophobicContact CD2-CD2 3.81Å; L52-L80 HydrophobicContact CD2-CG 4Å; L52-I82 HydrophobicContact CD2-CG1 3.94Å
53V83.3Confident78.9Confident24 Ų2478.2 Ų78.215%0.14539%0.394CS..EExtended strand (participates in β ladder)trans-110.7113.4176.3-175.90000109.5I55 I60 V81 K83V53-I55 HydrophobicContact CG1-CG1 4.34Å; V53-I60 HydrophobicContact CG1-CD1 4.41Å; V53-I60 HydrophobicContact CG1-CG1 4.3Å; V53-I60 HydrophobicContact CG1-CG2 3.74Å; V53-V81 HydrophobicContact CB-CB 4.42Å; V53-V81 PolarHBondContact N-O 2.88Å; V53-V81 PolarHBondContact O-N 2.82Å; V53-K83 HydrophobicContact CG2-CD 3.82Å; V53-K83 HydrophobicContact CG2-CG 3.99Å
54L83.4Confident78.2Confident0 Ų074.3 Ų74.30%040%0.404CS..EExtended strand (participates in β ladder)trans-91.2128.7179.8-75.9158.3000110.4V34 F37 K38 I41 I60 L61 V78 L80V34-L54 HydrophobicContact CG1-CD1 3.92Å; F37-L54 HydrophobicContact CD1-CD1 3.88Å; F37-L54 HydrophobicContact CD1-CD2 4.16Å; F37-L54 HydrophobicContact CE1-CD1 4.42Å; F37-L54 HydrophobicContact CE1-CD2 3.86Å; K38-L54 HydrophobicContact CG-CD1 3.64Å; I41-L54 HydrophobicContact CD1-CD1 4.3Å; I41-L54 HydrophobicContact CD1-CD2 3.64Å; I41-L54 HydrophobicContact CD1-CG 4.43Å; L54-I60 CarbonylContact O-C 3.56Å; L54-I60 VanDerWaalsContact O-CA 3.32Å; L54-I60 WeakPolarHBondContact O-CA 3.43Å; L54-L61 HydrophobicContact CB-CB 4.06Å; L54-L61 PolarHBondContact O-N 2.76Å; L54-V78 HydrophobicContact CB-CG1 4.26Å; L54-V78 HydrophobicContact CD2-CG1 3.55Å; L54-L80 HydrophobicContact CD2-CD1 3.91Å; L54-L80 HydrophobicContact CG-CD1 4.06Å
55I85.9Confident77.7Confident52 Ų5270.4 Ų70.427%0.26739%0.392SS..EExtended strand (participates in β ladder)trans-125.6114.9-178.1-52.9177.3000108.8V53 K59 I60 H79 V81V53-I55 HydrophobicContact CG1-CG1 4.34Å; I55-K59 WeakPolarHBondContact CA-O 3.47Å; I55-I60 HydrophobicContact CG1-CG1 4.34Å; I55-H79 HydrophobicContact CB-CB 4.39Å; I55-H79 PolarHBondContact N-O 2.88Å; I55-H79 PolarHBondContact O-N 2.9Å; I55-V81 HydrophobicContact CD1-CG2 3.81Å
56F80.3Confident78Confident30 Ų3071.1 Ų71.113%0.13240%0.4CS..EExtended strand (participates in β ladder)trans-131.7134.6176.8-176-107.7000110G58 K59 L61 H70 I72 L76 T77 V78F56-G58 PolarHBondContact O-N 3.04Å; F56-G58 VanDerWaalsContact O-N 3.1Å; F56-K59 PolarHBondContact N-O 2.69Å; F56-K59 PolarHBondContact O-N 3.4Å; F56-L61 HydrophobicContact CB-CD1 3.58Å; F56-H70 WeakPolarHBondContact CD1-O 3.36Å; F56-H70 VanDerWaalsContact CE1-O 3.31Å; F56-H70 WeakPolarHBondContact CE1-O 3.42Å; F56-I72 HydrophobicContact CB-CD1 4.3Å; F56-I72 HydrophobicContact CB-CG1 4.41Å; F56-I72 HydrophobicContact CD1-CD1 4.29Å; F56-I72 HydrophobicContact CD1-CG1 3.55Å; F56-I72 HydrophobicContact CD2-CG1 4.18Å; F56-I72 HydrophobicContact CE1-CG1 3.78Å; F56-I72 HydrophobicContact CE2-CG1 4.39Å; F56-I72 HydrophobicContact CG-CD1 4.18Å; F56-I72 HydrophobicContact CG-CG1 3.77Å; F56-I72 HydrophobicContact CZ-CG1 4.21Å; F56-L76 HydrophobicContact CE2-CB 4.05Å; F56-L76 HydrophobicContact CE2-CD1 4.34Å; F56-L76 HydrophobicContact CZ-CB 4.23Å; F56-L76 HydrophobicContact CZ-CD1 3.69Å; F56-T77 WeakPolarHBondContact CD2-O 3.31Å; F56-V78 HydrophobicContact CB-CG1 4.21Å; F56-V78 HydrophobicContact CB-CG2 4.28Å; F56-V78 HydrophobicContact CD2-CG2 3.84Å; F56-V78 HydrophobicContact CG-CG2 4.29Å
57A74Confident77.7Confident85 Ų8562 Ų6270%0.70236%0.36SS*.THydrogen-bonded Turntrans47.239.1-177.700000114.2K59A57-K59 PolarHBondContact O-N 2.7Å
58G73.1Confident77.5Confident75 Ų7564.6 Ų64.677%0.77337%0.372SS*.THydrogen-bonded Turntrans75.8-0.1-178.600000115.8F56F56-G58 PolarHBondContact O-N 3.04Å; F56-G58 VanDerWaalsContact O-N 3.1Å
59K76.8Confident77.4Confident141 Ų14165.1 Ų65.161%0.61338%0.375SS*.EExtended strand (participates in β ladder)trans-105.9141.3178.3-63.2-178-179.2-179.10110.9I55 F56 A57I55-K59 WeakPolarHBondContact CA-O 3.47Å; F56-K59 PolarHBondContact N-O 2.69Å; F56-K59 PolarHBondContact O-N 3.4Å; A57-K59 PolarHBondContact O-N 2.7Å
60I83.4Confident76.9Confident106 Ų10664.5 Ų64.554%0.54437%0.372SS..EExtended strand (participates in β ladder)trans-81.5124.3170.7-62.6169.8000108.2V53 L54 I55V53-I60 HydrophobicContact CG1-CD1 4.41Å; V53-I60 HydrophobicContact CG1-CG1 4.3Å; V53-I60 HydrophobicContact CG1-CG2 3.74Å; L54-I60 CarbonylContact O-C 3.56Å; L54-I60 VanDerWaalsContact O-CA 3.32Å; L54-I60 WeakPolarHBondContact O-CA 3.43Å; I55-I60 HydrophobicContact CG1-CG1 4.34Å
61L76.9Confident76.5Confident5 Ų559.1 Ų59.13%0.02635%0.351CS..EExtended strand (participates in β ladder)trans-82.4132.7177.1-8476.8000110.2V34 L54 F56 L67 H70 I72V34-L61 HydrophobicContact CG1-CB 4.09Å; V34-L61 HydrophobicContact CG2-CB 4.03Å; V34-L61 HydrophobicContact CG2-CD2 3.73Å; V34-L61 HydrophobicContact CG2-CG 4.34Å; L54-L61 HydrophobicContact CB-CB 4.06Å; L54-L61 PolarHBondContact O-N 2.76Å; F56-L61 HydrophobicContact CB-CD1 3.58Å; L61-L67 HydrophobicContact CD2-CD2 4.45Å; L61-H70 HydrophobicContact CD1-CB 4.33Å; L61-H70 HydrophobicContact CD2-CB 3.88Å; L61-H70 HydrophobicContact CG-CB 4.19Å; L61-I72 HydrophobicContact CD2-CD1 3.39Å
62K77.6Confident76.1Confident147 Ų14757.4 Ų57.464%0.63934%0.343SS*.  trans-105.2153.3178.2-64.6-177.7-178.1178.20110.4V34 G64 D65V34-K62 VanDerWaalsContact CB-O 3.28Å; V34-K62 WeakPolarHBondContact CB-O 3.24Å; V34-K62 WeakPolarHBondContact CG1-O 3.48Å; K62-G64 PolarHBondContact O-N 2.77Å; K62-D65 PolarHBondContact O-N 2.95Å
63D73.9Confident75.6Confident68 Ų6864 Ų6436%0.36437%0.372SS..THydrogen-bonded Turntrans-64.4-17.8-169.7-55.12.1000114K35 K38K35-D63 HydrophobicContact CB-CB 4.23Å; K38-D63 VanDerWaalsContact CD-OD1 3.23Å; K38-D63 WeakPolarHBondContact CD-OD1 3.47Å; K38-D63 WeakPolarHBondContact CE-OD1 3.38Å; K38-D63 IonicContact NZ-OD1 3.8Å; K38-D63 PolarHBondContact NZ-OD1 2.81Å; K38-D63 IonicContact NZ-OD2 3.41Å; K38-D63 PolarHBondContact NZ-OD2 3.45Å
64G67.6Low75.3Confident78 Ų7867.3 Ų67.380%0.80439%0.389SS*.THydrogen-bonded Turntrans-88.1-11.2176.800000115.4K62K62-G64 PolarHBondContact O-N 2.77Å
65D70.6Confident74.8Confident51 Ų5169.6 Ų69.627%0.27341%0.412SS..SBendtrans-88.8159.1176.4-72.9-83.9000111.4V34 K62 H70V34-D65 VanDerWaalsContact CG2-O 3.29Å; V34-D65 WeakPolarHBondContact CG2-O 3.43Å; V34-D65 PolarHBondContact N-O 2.92Å; K62-D65 PolarHBondContact O-N 2.95Å; D65-H70 VanDerWaalsContact CB-NE2 3.31Å; D65-H70 WeakPolarHBondContact CB-NE2 3.27Å; D65-H70 IonicContact OD1-NE2 3.62Å; D65-H70 IonicContact OD2-NE2 3.73Å
66T80.8Confident74.7Confident52 Ų5270.2 Ų70.232%0.31942%0.416SS..BIsolated β-bridgetrans-97.2149.5172.759.90000111N68 Q69 H70T66-N68 VanDerWaalsContact C-N 3.28Å; T66-N68 PolarHBondContact O-N 2.81Å; T66-Q69 PolarHBondContact O-N 2.74Å; T66-Q69 VanDerWaalsContact O-N 3.16Å; T66-Q69 VanDerWaalsContact OG1-CB 3.28Å; T66-Q69 WeakPolarHBondContact OG1-CB 3.37Å; T66-H70 PolarHBondContact O-N 2.83Å
67L74.1Confident74.8Confident0 Ų071.3 Ų71.30%043%0.425CS..THydrogen-bonded Turntrans-56.6-43.5-179.8-64174.3000111.8I13 I28 V34 F37 L61 Q69 H70 G71 I72I13-L67 HydrophobicContact CD1-CD1 4.43Å; I28-L67 HydrophobicContact CD1-CD1 4.29Å; I28-L67 HydrophobicContact CG2-CD1 3.61Å; V34-L67 HydrophobicContact CG2-CD2 4.1Å; F37-L67 HydrophobicContact CB-CD1 4.16Å; F37-L67 HydrophobicContact CB-CD2 4.03Å; F37-L67 HydrophobicContact CB-CG 4.5Å; F37-L67 HydrophobicContact CD1-CD2 3.63Å; F37-L67 HydrophobicContact CD2-CD1 4.34Å; F37-L67 HydrophobicContact CE1-CD2 4.25Å; F37-L67 HydrophobicContact CG-CD1 4.15Å; F37-L67 HydrophobicContact CG-CD2 3.91Å; L61-L67 HydrophobicContact CD2-CD2 4.45Å; L67-Q69 VanDerWaalsContact C-N 3.34Å; L67-Q69 PolarHBondContact O-N 2.86Å; L67-H70 PolarHBondContact O-N 2.92Å; L67-G71 PolarHBondContact O-N 3.14Å; L67-I72 HydrophobicContact CB-CB 4.15Å; L67-I72 HydrophobicContact CB-CD1 4.48Å; L67-I72 HydrophobicContact CB-CG2 4.48Å; L67-I72 HydrophobicContact CD2-CD1 3.74Å; L67-I72 WeakPolarHBondContact O-CB 3.34Å; L67-I72 PolarHBondContact O-N 3.43Å
68N70.4Confident75.4Confident71 Ų7167.3 Ų67.338%0.3839%0.392SS..G310 helixtrans-64.5-35-179.8-163.4-33.9000112.4D30 T66 H70 G71D30-N68 VanDerWaalsContact CG-ND2 3.33Å; D30-N68 PolarHBondContact OD1-ND2 2.95Å; D30-N68 PolarHBondContact OD2-ND2 3.37Å; T66-N68 VanDerWaalsContact C-N 3.28Å; T66-N68 PolarHBondContact O-N 2.81Å; N68-H70 VanDerWaalsContact C-N 3.28Å; N68-H70 PolarHBondContact O-N 2.9Å; N68-G71 WeakPolarHBondContact O-CA 3.36Å; N68-G71 PolarHBondContact O-N 2.82Å
69Q73.5Confident76Confident142 Ų14267.9 Ų67.966%0.66437%0.374SS*.G310 helixtrans-67.3-26.5178.3-171.2156.23100113.6T66 L67 G71T66-Q69 PolarHBondContact O-N 2.74Å; T66-Q69 VanDerWaalsContact O-N 3.16Å; T66-Q69 VanDerWaalsContact OG1-CB 3.28Å; T66-Q69 WeakPolarHBondContact OG1-CB 3.37Å; L67-Q69 VanDerWaalsContact C-N 3.34Å; L67-Q69 PolarHBondContact O-N 2.86Å; Q69-G71 VanDerWaalsContact C-N 3.31Å
70H67.6Low76.3Confident44 Ų4461.2 Ų61.220%0.20435%0.345CS..G310 helixtrans-86.52.9168.9-75.9-79.7000113.9F56 L61 D65 T66 L67 N68F56-H70 WeakPolarHBondContact CD1-O 3.36Å; F56-H70 VanDerWaalsContact CE1-O 3.31Å; F56-H70 WeakPolarHBondContact CE1-O 3.42Å; L61-H70 HydrophobicContact CD1-CB 4.33Å; L61-H70 HydrophobicContact CD2-CB 3.88Å; L61-H70 HydrophobicContact CG-CB 4.19Å; D65-H70 VanDerWaalsContact CB-NE2 3.31Å; D65-H70 WeakPolarHBondContact CB-NE2 3.27Å; D65-H70 IonicContact OD1-NE2 3.62Å; D65-H70 IonicContact OD2-NE2 3.73Å; T66-H70 PolarHBondContact O-N 2.83Å; L67-H70 PolarHBondContact O-N 2.92Å; N68-H70 VanDerWaalsContact C-N 3.28Å; N68-H70 PolarHBondContact O-N 2.9Å
71G68.7Low76.2Confident35 Ų3559.3 Ų59.336%0.36134%0.338SS..THydrogen-bonded Turntrans77.116.7-178.600000114.3L67 N68 Q69 K73 L76L67-G71 PolarHBondContact O-N 3.14Å; N68-G71 WeakPolarHBondContact O-CA 3.36Å; N68-G71 PolarHBondContact O-N 2.82Å; Q69-G71 VanDerWaalsContact C-N 3.31Å; G71-K73 PolarHBondContact O-N 3.09Å; G71-L76 VanDerWaalsContact O-CD1 3.28Å; G71-L76 WeakPolarHBondContact O-CD1 3.43Å
72I74.9Confident76.5Confident0 Ų062.1 Ų62.10%035%0.353CS..  trans-71.8118174-61173000108.3I13 V15 F56 L61 L67 V78I13-I72 HydrophobicContact CD1-CG2 4.35Å; V15-I72 HydrophobicContact CB-CG2 4.47Å; V15-I72 HydrophobicContact CG1-CG2 3.89Å; V15-I72 HydrophobicContact CG2-CG2 3.66Å; F56-I72 HydrophobicContact CB-CD1 4.3Å; F56-I72 HydrophobicContact CB-CG1 4.41Å; F56-I72 HydrophobicContact CD1-CD1 4.29Å; F56-I72 HydrophobicContact CD1-CG1 3.55Å; F56-I72 HydrophobicContact CD2-CG1 4.18Å; F56-I72 HydrophobicContact CE1-CG1 3.78Å; F56-I72 HydrophobicContact CE2-CG1 4.39Å; F56-I72 HydrophobicContact CG-CD1 4.18Å; F56-I72 HydrophobicContact CG-CG1 3.77Å; F56-I72 HydrophobicContact CZ-CG1 4.21Å; L61-I72 HydrophobicContact CD2-CD1 3.39Å; L67-I72 HydrophobicContact CB-CB 4.15Å; L67-I72 HydrophobicContact CB-CD1 4.48Å; L67-I72 HydrophobicContact CB-CG2 4.48Å; L67-I72 HydrophobicContact CD2-CD1 3.74Å; L67-I72 WeakPolarHBondContact O-CB 3.34Å; L67-I72 PolarHBondContact O-N 3.43Å; I72-V78 HydrophobicContact CD1-CG2 3.72Å; I72-V78 HydrophobicContact CG1-CG2 4.23Å; I72-V78 HydrophobicContact CG2-CG2 4.47Å
73K71.1Confident76.5Confident139 Ų13961.7 Ų61.760%0.60435%0.351SS*.  trans-121.5170.6178-70.1-178.7163.4-177.70110.2G71 G75 L76G71-K73 PolarHBondContact O-N 3.09Å; K73-G75 PolarHBondContact O-N 3.27Å; K73-L76 HydrophobicContact CB-CD1 3.92Å; K73-L76 HydrophobicContact CB-CG 4.16Å; K73-L76 WeakPolarHBondContact O-CB 3.43Å; K73-L76 WeakPolarHBondContact O-CG 3.38Å; K73-L76 PolarHBondContact O-N 3.29Å; K73-L76 VanDerWaalsContact O-N 3.14Å
74D76.1Confident76Confident93 Ų9364.1 Ų64.150%0.49737%0.368SS..THydrogen-bonded Turntrans-48.9134169.2-166.6-106.3000111.9I13 R14 L76I13-D74 HydrophobicContact CB-CB 4.27Å; I13-D74 HydrophobicContact CG2-CB 4.15Å; R14-D74 WeakPolarHBondContact CB-OD2 3.32Å; R14-D74 PolarHBondContact N-OD2 3.02Å; D74-L76 VanDerWaalsContact C-N 3.29Å; D74-L76 PolarHBondContact O-N 3.31Å
75G73.6Confident75.2Confident48 Ų4864.9 Ų64.950%0.49536%0.359SS..THydrogen-bonded Turntrans79.7-6-178.500000115.9R14 K73R14-G75 PolarHBondContact O-N 3.46Å; K73-G75 PolarHBondContact O-N 3.27Å
76L83.4Confident73.5Confident64 Ų6471.4 Ų71.434%0.33539%0.388SS..  trans-80.3154.9-178.3-59.1-169000113T16 F56 G71 K73 D74T16-L76 PolarHBondContact N-O 3.42Å; F56-L76 HydrophobicContact CE2-CB 4.05Å; F56-L76 HydrophobicContact CE2-CD1 4.34Å; F56-L76 HydrophobicContact CZ-CB 4.23Å; F56-L76 HydrophobicContact CZ-CD1 3.69Å; G71-L76 VanDerWaalsContact O-CD1 3.28Å; G71-L76 WeakPolarHBondContact O-CD1 3.43Å; K73-L76 HydrophobicContact CB-CD1 3.92Å; K73-L76 HydrophobicContact CB-CG 4.16Å; K73-L76 WeakPolarHBondContact O-CB 3.43Å; K73-L76 WeakPolarHBondContact O-CG 3.38Å; K73-L76 PolarHBondContact O-N 3.29Å; K73-L76 VanDerWaalsContact O-N 3.14Å; D74-L76 VanDerWaalsContact C-N 3.29Å; D74-L76 PolarHBondContact O-N 3.31Å
77T83Confident71.3Confident54 Ų5478 Ų7833%0.33141%0.412SS..EExtended strand (participates in β ladder)trans-111.1122.7-175.1-61.10000111.8T16 K18 F56T16-T77 HydrophobicContact CG2-CG2 3.95Å; T16-T77 CarbonylContact O-C 3.45Å; T16-T77 VanDerWaalsContact O-CA 3.27Å; T16-T77 WeakPolarHBondContact O-CA 3.47Å; K18-T77 HydrophobicContact CB-CG2 4.36Å; K18-T77 HydrophobicContact CD-CG2 3.69Å; K18-T77 HydrophobicContact CG-CG2 3.97Å; F56-T77 WeakPolarHBondContact CD2-O 3.31Å
78V86.1Confident69.6Low0 Ų082 Ų820%045%0.445CS..EExtended strand (participates in β ladder)trans-105134.9174.2-174.40000109.1V15 T16 V17 K18 F37 L54 F56 I72V15-V78 HydrophobicContact CG1-CB 4.43Å; V15-V78 HydrophobicContact CG1-CG2 3.6Å; T16-V78 PolarHBondContact O-N 2.79Å; V17-V78 WeakPolarHBondContact CA-O 3.33Å; K18-V78 PolarHBondContact N-O 2.89Å; F37-V78 HydrophobicContact CE1-CG2 4.42Å; L54-V78 HydrophobicContact CB-CG1 4.26Å; L54-V78 HydrophobicContact CD2-CG1 3.55Å; F56-V78 HydrophobicContact CB-CG1 4.21Å; F56-V78 HydrophobicContact CB-CG2 4.28Å; F56-V78 HydrophobicContact CD2-CG2 3.84Å; F56-V78 HydrophobicContact CG-CG2 4.29Å; I72-V78 HydrophobicContact CD1-CG2 3.72Å; I72-V78 HydrophobicContact CG1-CG2 4.23Å; I72-V78 HydrophobicContact CG2-CG2 4.47Å
79H85.4Confident68.1Low88 Ų8887.3 Ų87.341%0.40747%0.468SS..EExtended strand (participates in β ladder)trans-88.6136.7173.5-70.287.5000109.8K18 I55K18-H79 PolarHBondContact NZ-NE2 3.33Å; K18-H79 CarbonylContact O-C 3.5Å; K18-H79 WeakPolarHBondContact O-CA 3.24Å; I55-H79 HydrophobicContact CB-CB 4.39Å; I55-H79 PolarHBondContact N-O 2.88Å; I55-H79 PolarHBondContact O-N 2.9Å
80L82.8Confident66.5Low1 Ų187.2 Ų87.21%0.00547%0.472CS..EExtended strand (participates in β ladder)trans-121.5121.2-175.6177.966.5000110.3V17 K18 T19 P20 I41 F45 L52 L54V17-L80 HydrophobicContact CG1-CB 3.6Å; V17-L80 HydrophobicContact CG1-CD2 3.59Å; V17-L80 HydrophobicContact CG1-CG 4.22Å; K18-L80 PolarHBondContact O-N 3.42Å; T19-L80 WeakPolarHBondContact CA-O 3.41Å; T19-L80 HydrophobicContact CG2-CB 3.94Å; T19-L80 HydrophobicContact CG2-CD2 3.64Å; T19-L80 HydrophobicContact CG2-CG 3.98Å; P20-L80 WeakPolarHBondContact CD-O 3.47Å; I41-L80 HydrophobicContact CG2-CD1 4.25Å; I41-L80 HydrophobicContact CG2-CD2 3.33Å; I41-L80 HydrophobicContact CG2-CG 4.43Å; F45-L80 HydrophobicContact CD2-CD2 4.07Å; F45-L80 HydrophobicContact CE2-CD2 4.2Å; F45-L80 HydrophobicContact CG-CD2 4.32Å; L52-L80 HydrophobicContact CB-CD1 4.12Å; L52-L80 HydrophobicContact CD2-CD1 3.68Å; L52-L80 HydrophobicContact CD2-CD2 3.81Å; L52-L80 HydrophobicContact CD2-CG 4Å; L54-L80 HydrophobicContact CD2-CD1 3.91Å; L54-L80 HydrophobicContact CG-CD1 4.06Å
81V82.1Confident65.4Low66 Ų6691.3 Ų91.340%0.450%0.503SS..EExtended strand (participates in β ladder)trans-110.9123.6177-178.40000108.6V53 I55V53-V81 HydrophobicContact CB-CB 4.42Å; V53-V81 PolarHBondContact N-O 2.88Å; V53-V81 PolarHBondContact O-N 2.82Å; I55-V81 HydrophobicContact CD1-CG2 3.81Å
82I82.4Confident63.7Low64 Ų6493.7 Ų93.733%0.32852%0.519SS..EExtended strand (participates in β ladder)trans-92.7110174.5-53.6173.8000107.6A47 Q51 L52 T84A47-I82 HydrophobicContact CB-CD1 4.07Å; A47-I82 HydrophobicContact CB-CG1 4.47Å; A47-I82 HydrophobicContact CB-CG2 4.07Å; Q51-I82 HydrophobicContact CB-CG2 4.3Å; Q51-I82 WeakPolarHBondContact O-CA 3.28Å; L52-I82 HydrophobicContact CD2-CG1 3.94Å; I82-T84 PolarHBondContact O-N 2.97Å
83K77.6Confident61.9Low137 Ų13798.7 Ų98.760%0.59656%0.56SS**  trans-72.2104.5169.2-76-179168.6-179.10108.8Q51 V53Q51-K83 WeakPolarHBondContact CB-O 3.47Å; Q51-K83 WeakPolarHBondContact CG-O 3.28Å; Q51-K83 PolarHBondContact O-N 3.16Å; V53-K83 HydrophobicContact CG2-CD 3.82Å; V53-K83 HydrophobicContact CG2-CG 3.99Å
84T63.5Low60.2Low119 Ų11997.1 Ų97.173%0.7357%0.573SS**  trans-58.6128.8168.149.70000109.1I82 Q86I82-T84 PolarHBondContact O-N 2.97Å; T84-Q86 PolarHBondContact O-N 3.05Å
85P51.2Low58.2Low94 Ų9499.4 Ų99.461%0.6159%0.59SS**  trans-64.3109.1176.226-32.6000108K87P85-K87 PolarHBondContact O-N 3.41Å
86Q35.6Very low56.7Low189 Ų189101.7 Ų101.788%0.88360%0.604SS**  trans-60.7114.8170.6-174.7172.4-3600106.5T84 A88T84-Q86 PolarHBondContact O-N 3.05Å; Q86-A88 PolarHBondContact O-N 3.36Å
87K34.5Very low54.3Low189 Ų189104.2 Ų104.282%0.82263%0.628SS**  trans-51.5106.2-172.3-175.1173.7-173.7-71.10109.3P85 Q89P85-K87 PolarHBondContact O-N 3.41Å; K87-Q89 PolarHBondContact O-N 2.88Å
88A38.6Very low52.1Low84 Ų84107 Ų10769%0.69465%0.65SS**  trans-57.6124.7176.400000108Q86Q86-A88 PolarHBondContact O-N 3.36Å
89Q38.7Very low50.1Low184 Ų184112.7 Ų112.786%0.8669%0.686SS**  trans-87.8111.4169.2-175.9168.4-18.300106.3K87 P91K87-Q89 PolarHBondContact O-N 2.88Å; Q89-P91 WeakPolarHBondContact O-CD 3.31Å
90D39.1Very low47.5Very low139 Ų139114 Ų11474%0.74371%0.705SS**  trans-46.9130.7-178.3-72.6-99.8000113.7
91P44.3Very low45.5Very low131 Ų131120.5 Ų120.585%0.85175%0.745SS**  trans-11281157.234.2-21000109.6Q89Q89-P91 WeakPolarHBondContact O-CD 3.31Å
92A33.2Very low43.3Very low85 Ų85123.4 Ų123.470%0.70277%0.765SS**  trans-148.662.5-178.200000114.7
93A37.6Very low40.8Very low105 Ų105127.6 Ų127.687%0.86879%0.788SS**  trans-170.673.6154.900000113.7
94A35.3Very low39.8Very low105 Ų105126.3 Ų126.387%0.86879%0.794SS**  trans-158.2106.2157.100000110.7
95T34.9Very low38.2Very low141 Ų141125.2 Ų125.287%0.86580%0.797SS**  trans-91.6147.1177.544.30000112.4
96A41.6Very low37.3Very low96 Ų96126.2 Ų126.279%0.79381%0.806SS**  trans72.9138.117400000115.3
97S32.4Very low37.3Very low118 Ų118121.9 Ų121.983%0.82580%0.803SS**  cis-147.7155.317.7-48.90000112.7
98S36.3Very low37.7Very low113 Ų113118.2 Ų118.279%0.7980%0.798SS**  trans-78.5165.2164.9-38.50000110.9
99P44.8Very low37.4Very low119 Ų119119.2 Ų119.277%0.77380%0.8SS**  -146.2150.273.536.7-17.5000118.2
100S30.7Very low37Very low114 Ų114117.5 Ų117.580%0.79780%0.802SS**  trans41.5123.4138.3-47.40000123.2
101T40.5Very low36.6Very low138 Ų138117.2 Ų117.285%0.84781%0.806SS**  trans-80.4160.3149.247.60000112
102P37.1Very low36.6Very low127 Ų127116.8 Ų116.883%0.82580%0.803SS**  trans-129.2157.2143.735.9-24.8000113.1
103D29.4Very low36.3Very low152 Ų152117.1 Ų117.181%0.81381%0.806SS**  trans-106.4-160.4-178.4-144.1-31.7000110.4
104P56.4Low36.1Very low111 Ų111117.7 Ų117.772%0.72180%0.803SS**  -110.9166.4-124.440.5-27.8000116.2
105A29.4Very low36.4Very low95 Ų95119 Ų11979%0.78580%0.803SS**  trans159.5127.113500000117
106S31.9Very low36.2Very low115 Ų115116.9 Ų116.980%0.80480%0.8SS**  trans66104.9134.4-58.10000125.7
107A35.9Very low35.8Very low98 Ų98118.6 Ų118.681%0.8180%0.801SS**  66.6164.112700000121
108P43.2Very low36.4Very low112 Ų112118.9 Ų118.973%0.72780%0.8SS**  cis-137.7173.16.643.9-26.3000118.7
109S31.8Very low36.1Very low106 Ų106118.1 Ų118.174%0.74180%0.8SS**  trans56.9118148.1-59.30000123.6
110T30.1Very low35.6Very low147 Ų147120.1 Ų120.190%0.90280%0.799SS**  178.1151.5110.730.60000113.2
111T32Very low35.9Very low134 Ų134120.7 Ų120.782%0.82280%0.801SS**  trans-132.1174.4175.145.70000109
112P44.6Very low35.4Very low121 Ų121118.9 Ų118.979%0.78679%0.794SS**  cis-130.1167.7-30.435.1-19.6000113.6
113A27.1Very low35Very low92 Ų92119.1 Ų119.176%0.7679%0.793SS**  trans168.1135.7137.100000114.6
114S32.1Very low35Very low117 Ų117117.7 Ų117.782%0.81879%0.794SS**  trans45.4134.4151.9-55.90000122.7
115P41.9Very low33.8Very low132 Ų132115.7 Ų115.786%0.85779%0.794SS**  -130.8163.1121.438-30.6000113.4
116A30.3Very low33.8Very low97 Ų97117.2 Ų117.280%0.80280%0.799SS**  trans-116.4148.117900000113.4
117T34.2Very low33.7Very low132 Ų132116.9 Ų116.981%0.8180%0.803SS**  trans-48.6168.3171.823.20000115.8
118P45.5Very low33.6Very low125 Ų125118 Ų11881%0.81281%0.805SS**  cis-145.4-179.143.746.3-26.5000116.2
119A30.3Very low32.9Very low96 Ų96118.4 Ų118.479%0.79381%0.811SS**  cis-148.9149.1500000112.2
120Q32.6Very low32.6Very low161 Ų161120.8 Ų120.875%0.75282%0.815SS**  trans-152.8149.1159.9-174.3-173.5-36.900107.8S122Q120-S122 PolarHBondContact NE2-OG 3.49Å
121P38.8Very low32.5Very low127 Ų127118 Ų11883%0.82581%0.807SS**  trans-114.8140.6158.717.32.2000112.4
122S28.9Very low32.2Very low100 Ų100115.3 Ų115.370%0.69981%0.806SS**  trans-125.8166.1177.3-63.50000111Q120Q120-S122 PolarHBondContact NE2-OG 3.49Å
123T28.1Very low31.4Very low131 Ų131116.1 Ų116.180%0.80482%0.815SS**  trans-82.2141.2175.550.80000113.7
124S30.4Very low31.5Very low122 Ų122114.8 Ų114.885%0.85381%0.81SS**  trans173.4147.2150.2-75.50000107.7
125G30Very low31.3Very low70 Ų70113.9 Ų113.972%0.72280%0.804SS**  cis80124.548.100000109.9
126S30.3Very low30.8Very low126 Ų126118.2 Ų118.288%0.88180%0.803SS**  cis-167.2158.74.3-59.20000109.5
127A29.8Very low30.8Very low108 Ų108124.1 Ų124.189%0.89381%0.805SS**  trans-173.5144.8151.500000111.9
128S33.3Very low30.7Very low121 Ų121122.7 Ų122.785%0.84680%0.8SS**  trans-143.1119.2-171.155.30000114.3
129S29.6Very low30.2Very low122 Ų122122.8 Ų122.885%0.85380%0.803SS**  trans-179.1141.9167.849.90000105.6
130D24.6Very low30.1Very low155 Ų155121.9 Ų121.983%0.82980%0.804SS**  cis-155.6168.520.3176.3-133.7000110.3
131A27.6Very low30Very low88 Ų88118.4 Ų118.473%0.72781%0.811SS**  trans11.1138163.900000122.3
132G26.2Very low29.8Very low79 Ų79115.9 Ų115.981%0.81481%0.808SS**  trans167.282.6160.200000117.3
133S28.3Very low30.8Very low137 Ų137117.4 Ų117.496%0.95882%0.816SS**  trans-65.8139167.4173.70000112.2
134G28.4Very low31.1Very low64 Ų64116.5 Ų116.566%0.6682%0.815SS**  trans149.888.8156.300000119.8
135S28.9Very low31.9Very low99 Ų99116.5 Ų116.569%0.69281%0.812SS**  31.7138.4126.6-1240000122.6
136R29.7Very low31.9Very low223 Ų223116.7 Ų116.784%0.84281%0.814SS**  trans80.3152.7151.6-61.1156-165.7-123.20.4115.8
137R31.6Very low32.1Very low221 Ų221116 Ų11683%0.83482%0.816SS**  cis-154.1139.47.9-118.5153.8111.4-116.14.7107.4
138S31.9Very low32.1Very low102 Ų102114 Ų11471%0.71381%0.805SS**  73.6114.685-171.40000117.7
139S34.8Very low31.8Very low126 Ų126118.1 Ų118.188%0.88181%0.811SS**  trans-150.6136140.5550000107.7
140G29.1Very low31.8Very low78 Ų78115.8 Ų115.880%0.80481%0.806SS**  cis-175.2134.9-16.200000110.1
141G29Very low33.6Very low87 Ų87114.4 Ų114.490%0.89781%0.806SS**  trans143.9107.9178.800000113
142G35.6Very low34.5Very low75 Ų75116 Ų11677%0.77381%0.809SS**  trans-106.9-154.1-179.500000113.1
143P48.8Very low34.8Very low131 Ų131117.8 Ų117.885%0.85181%0.809SS**  cis-129.4173.5-0.439.8-23.2000116.1
144S34.4Very low35.1Very low113 Ų113115.2 Ų115.279%0.7980%0.796SS**  trans-82.4-172.8173.1-26.70000112.5
145P47.8Very low35.5Very low122 Ų122118.8 Ų118.879%0.79281%0.805SS**  cis-122.7-173.116.239.5-20.1000113.6
146G31Very low36Very low74 Ų74118.9 Ų118.976%0.76381%0.812SS**  cis102.1125.611.800000112
147A34.5Very low36.8Very low112 Ų112114 Ų11493%0.92681%0.812SS**  cis-140.3-156.72.700000109.7
148G29Very low37.6Very low64 Ų64111.2 Ų111.266%0.6681%0.812SS**  cis172.8179.14.800000113
149E27.5Very low38.6Very low209 Ų209114 Ų11498%0.97782%0.818SS**  trans57134.1162.5-73.816677.600123.6
150G29.1Very low39.6Very low73 Ų73112.4 Ų112.475%0.75381%0.807SS**  trans111.8120.9141.900000120.8
151P62.7Low40.3Very low125 Ų125112.9 Ų112.981%0.81281%0.811SS**  trans-87.3173.9152.837.9-32.8000110.8
152P46.4Very low41.1Very low122 Ų122118.8 Ų118.879%0.79281%0.813SS**  cis-141.8178.921.543.2-23.9000117.7
153S31.3Very low41.8Very low116 Ų116119.1 Ų119.181%0.81182%0.816SS**  trans43.7112.5148.1-178.20000121.5
154A35.5Very low41.6Very low83 Ų83116.4 Ų116.469%0.68681%0.812SS**  178.8134.3116.400000114.4
155T37.5Very low42.4Very low139 Ų139118.8 Ų118.885%0.85381%0.814SS**  trans40.7103.8145.559.80000121.3
156A39.2Very low42.7Very low102 Ų102120 Ų12084%0.84381%0.813SS**  trans-158.2123.2135.400000110.9
157S45.6Very low43.6Very low120 Ų120117 Ų11784%0.83978%0.782SS**  trans-82.1129.4-179.6-52.30000112.2
158I48.2Very low44.3Very low163 Ų163119 Ų11984%0.83678%0.777SS**  trans-132.571.2155.9-53.1-176.5000109.3S160I158-S160 PolarHBondContact O-N 2.99Å
159L53.5Low45.4Very low161 Ų161117.9 Ų117.984%0.84377%0.765SS**  trans-78.991168.2174.676.5000108.8
160S55.7Low46.4Very low92 Ų92108.9 Ų108.964%0.64373%0.725SS**  trans-15522.4178.1-68.10000115.2I158I158-S160 PolarHBondContact O-N 2.99Å
161G43.3Very low47.3Very low87 Ų87111.6 Ų111.690%0.89772%0.722SS**  trans-110.38.6-175.900000116.3
162F46.5Very low46.4Very low212 Ų212107.4 Ų107.493%0.9370%0.702SS**  trans-120.2116.8-171.2-170.3-90.8000111.3
163G49.5Very low46.6Very low81 Ų81109.2 Ų109.284%0.83570%0.704SS**  trans143.962.6174.500000115.4
164G45.6Very low47.4Very low74 Ų74105.1 Ų105.176%0.76368%0.68SS**  trans-136.6-8-179.900000116.8
165I51.1Low48Very low164 Ų164106.6 Ų106.684%0.84169%0.685SS**  trans-125.761.6-174.3-48.4180000110.2
166L54Low48.5Very low146 Ų146103.4 Ų103.476%0.76467%0.673SS**SBendtrans-133.716171-87.1174.7000113.5F378L166-F378 HydrophobicContact CB-CZ 4.31Å; L166-F378 VanDerWaalsContact O-CE2 3.28Å; L166-F378 WeakPolarHBondContact O-CE2 3.47Å; L166-F378 WeakPolarHBondContact O-CZ 3.44Å
167G49.3Very low49Very low12 Ų12104.1 Ų104.112%0.12466%0.663CS.*SBendtrans-97.6-24.9176.400000115.2G169 S170G167-G169 PolarHBondContact O-N 3.45Å; G167-S170 PolarHBondContact O-N 2.81Å
168L49.9Very low49.2Very low154 Ų154104.2 Ų104.281%0.80665%0.648SS**THydrogen-bonded Turntrans-83.637-172.7-159.265.1000113.6
169G51.5Low49.4Very low41 Ų41102.2 Ų102.242%0.42364%0.636SS.*THydrogen-bonded Turntrans-109.3-5165.300000113.3G167 M383G167-G169 PolarHBondContact O-N 3.45Å; G169-M383 VanDerWaalsContact C-CE 3.4Å
170S49.7Very low50Low20 Ų20100.4 Ų100.414%0.1462%0.624CS.*  trans-85.5-12.1-171.3-171.90000115.2G167 G172 S380 M383G167-S170 PolarHBondContact O-N 2.81Å; S170-G172 PolarHBondContact O-N 3.37Å; S170-G172 VanDerWaalsContact O-N 3.15Å; S170-S380 PolarHBondContact OG-OG 3.11Å; S170-M383 WeakPolarHBondContact CB-SD 3.1Å
171L46.9Very low50.5Low129 Ų129100.1 Ų100.168%0.67562%0.615SS**SBendtrans-78.9102.6171.2-88.2105.3000108.9L173L171-L173 PolarHBondContact O-N 3Å
172G43.9Very low50.9Low38 Ų3898.3 Ų98.339%0.39258%0.583SS.*  trans-56.697.5170.300000111.1S170 G174S170-G172 PolarHBondContact O-N 3.37Å; S170-G172 VanDerWaalsContact O-N 3.15Å; G172-G174 PolarHBondContact O-N 2.89Å
173L50.4Low51.8Low160 Ų16092.8 Ų92.884%0.83856%0.56SS**  trans-74.756.8174.6-157.789.9000109.7L171L171-L173 PolarHBondContact O-N 3Å
174G48.2Very low52.5Low30 Ų3094.9 Ų94.931%0.30955%0.548SS..SBendtrans-139.378.6-16300000113.2G172 A176G172-G174 PolarHBondContact O-N 2.89Å; G174-A176 VanDerWaalsContact C-N 3.34Å; G174-A176 PolarHBondContact O-N 3.3Å
175S48Very low53Low114 Ų11495.9 Ų95.980%0.79753%0.534SS*.SBendtrans60-12.1152.362.20000122.8
176A47.9Very low53.1Low71 Ų7190.8 Ų90.859%0.58751%0.507SS*.SBendtrans-106.4-65.7174.400000112.7G174 F178 M179G174-A176 VanDerWaalsContact C-N 3.34Å; G174-A176 PolarHBondContact O-N 3.3Å; A176-F178 VanDerWaalsContact C-N 3.26Å; A176-F178 PolarHBondContact O-N 3.1Å; A176-M179 PolarHBondContact O-N 3.16Å
177N49.9Very low53.5Low118 Ų11891.4 Ų91.463%0.63150%0.499SS*.Hα-helixtrans-69.8-14.6-176-860.2000114.7L181N177-L181 WeakPolarHBondContact O-CB 3.42Å; N177-L181 PolarHBondContact O-N 3.17Å
178F49.3Very low53.8Low122 Ų12295 Ų9554%0.53551%0.512SS..Hα-helixtrans-70.5-31.6175.4-173-99000112.4A176 Q182A176-F178 VanDerWaalsContact C-N 3.26Å; A176-F178 PolarHBondContact O-N 3.1Å; F178-Q182 VanDerWaalsContact O-CB 3.23Å; F178-Q182 WeakPolarHBondContact O-CB 3.31Å; F178-Q182 PolarHBondContact O-N 2.97Å
179M53.8Low54.1Low120 Ų12090.1 Ų90.159%0.59149%0.487SS*.Hα-helixtrans-70.2-42.5177.7-156.587.4-172.900111A176 Q182 Q183A176-M179 PolarHBondContact O-N 3.16Å; M179-Q182 PolarHBondContact O-N 3.48Å; M179-Q183 PolarHBondContact O-N 3.03Å
180E65.9Low54.2Low124 Ų12494.8 Ų94.858%0.57950%0.499SS*.Hα-helixtrans-66.2-45.5173.8-162.585.5155.800110.6Q182 Q183 Q184E180-Q182 VanDerWaalsContact C-N 3.32Å; E180-Q182 PolarHBondContact O-N 2.93Å; E180-Q183 PolarHBondContact O-N 2.74Å; E180-Q184 WeakPolarHBondContact O-CB 3.4Å; E180-Q184 PolarHBondContact O-N 3.2Å
181L65.3Low55.1Low86 Ų8697.5 Ų97.545%0.4552%0.518SS..Hα-helixtrans-64.2-33.9176.4-177.464.6000112.1N177 M185N177-L181 WeakPolarHBondContact O-CB 3.42Å; N177-L181 PolarHBondContact O-N 3.17Å; L181-M185 WeakPolarHBondContact O-CA 3.21Å; L181-M185 WeakPolarHBondContact O-CB 3.37Å; L181-M185 PolarHBondContact O-N 3.38Å
182Q52.7Low54.9Low48 Ų4894.4 Ų94.422%0.22450%0.502CS..Hα-helixtrans-66.3-42.1174.4-173.4175.229.600111F178 M179 E180 Q186F178-Q182 VanDerWaalsContact O-CB 3.23Å; F178-Q182 WeakPolarHBondContact O-CB 3.31Å; F178-Q182 PolarHBondContact O-N 2.97Å; M179-Q182 PolarHBondContact O-N 3.48Å; E180-Q182 VanDerWaalsContact C-N 3.32Å; E180-Q182 PolarHBondContact O-N 2.93Å; Q182-Q186 WeakPolarHBondContact O-CB 3.34Å; Q182-Q186 PolarHBondContact O-N 3Å
183Q64.6Low55.7Low96 Ų9697.1 Ų97.145%0.44951%0.513SS..Hα-helixtrans-70-40.6173.9-71.7-174.34000112.7M179 E180 Q186 R187M179-Q183 PolarHBondContact O-N 3.03Å; E180-Q183 PolarHBondContact O-N 2.74Å; Q183-Q186 PolarHBondContact O-N 3.19Å; Q183-R187 WeakPolarHBondContact O-CB 3.31Å; Q183-R187 VanDerWaalsContact O-CG 3.26Å; Q183-R187 WeakPolarHBondContact O-CG 3.44Å; Q183-R187 PolarHBondContact O-N 2.88Å
184Q64.9Low57Low125 Ų12596.7 Ų96.758%0.58451%0.507SS*.Hα-helixtrans-65.4-43.3176.3-176.2177-19.400110.9E180 R187 Q188E180-Q184 WeakPolarHBondContact O-CB 3.4Å; E180-Q184 PolarHBondContact O-N 3.2Å; Q184-R187 PolarHBondContact O-N 3.15Å; Q184-Q188 WeakPolarHBondContact O-CB 3.46Å; Q184-Q188 PolarHBondContact O-N 3.41Å
185M55.9Low57.8Low95 Ų9599.3 Ų99.347%0.46851%0.512SS..Hα-helixtrans-64.3-43.2173.7-176.4178.2178.400110.6L181 R187 Q188 L189 I199L181-M185 WeakPolarHBondContact O-CA 3.21Å; L181-M185 WeakPolarHBondContact O-CB 3.37Å; L181-M185 PolarHBondContact O-N 3.38Å; M185-R187 VanDerWaalsContact C-N 3.35Å; M185-R187 PolarHBondContact O-N 2.88Å; M185-Q188 PolarHBondContact O-N 3.06Å; M185-L189 WeakPolarHBondContact O-CB 3.31Å; M185-L189 PolarHBondContact O-N 2.78Å; M185-I199 HydrophobicContact CE-CD1 4.07Å
186Q52.5Low58.4Low58 Ų5897.4 Ų97.427%0.27149%0.492SS..Hα-helixtrans-62.5-39.9177-177.2169.367.500112.3Q182 Q183 M190Q182-Q186 WeakPolarHBondContact O-CB 3.34Å; Q182-Q186 PolarHBondContact O-N 3Å; Q183-Q186 PolarHBondContact O-N 3.19Å; Q186-M190 WeakPolarHBondContact O-CG 3.48Å; Q186-M190 PolarHBondContact O-N 3.42Å
187R62Low59.1Low158 Ų15897 Ų9760%0.59649%0.486SS*.Hα-helixtrans-69.6-42.2174.3-68.9176.385.1167.57.1112.1Q183 Q184 M185 M190 S191 F301Q183-R187 WeakPolarHBondContact O-CB 3.31Å; Q183-R187 VanDerWaalsContact O-CG 3.26Å; Q183-R187 WeakPolarHBondContact O-CG 3.44Å; Q183-R187 PolarHBondContact O-N 2.88Å; Q184-R187 PolarHBondContact O-N 3.15Å; M185-R187 VanDerWaalsContact C-N 3.35Å; M185-R187 PolarHBondContact O-N 2.88Å; R187-M190 PolarHBondContact O-N 2.91Å; R187-S191 WeakPolarHBondContact O-CB 3.36Å; R187-S191 PolarHBondContact O-N 2.66Å; R187-S191 PolarHBondContact O-OG 3.39Å; R187-F301 HydrophobicContact CG-CE1 3.79Å; R187-F301 HydrophobicContact CG-CZ 3.89Å
188Q56.9Low59.9Low89 Ų8997.3 Ų97.342%0.41648%0.483SS..Hα-helixtrans-69.4-35.4178.5-169.967.519.300112.4Q184 M185 S191 N192 M195Q184-Q188 WeakPolarHBondContact O-CB 3.46Å; Q184-Q188 PolarHBondContact O-N 3.41Å; M185-Q188 PolarHBondContact O-N 3.06Å; Q188-S191 WeakPolarHBondContact CA-OG 3.17Å; Q188-S191 PolarHBondContact O-N 3.44Å; Q188-S191 PolarHBondContact O-OG 2.94Å; Q188-N192 WeakPolarHBondContact O-CA 3.39Å; Q188-N192 WeakPolarHBondContact O-CB 3.48Å; Q188-N192 PolarHBondContact O-N 2.98Å; Q188-M195 HydrophobicContact CG-SD 4.41Å
189L55.5Low60.6Low50 Ų5094.1 Ų94.126%0.26247%0.471SS..Hα-helixtrans-69.9-35177.6-165.279.2000111M185 L196 I199M185-L189 WeakPolarHBondContact O-CB 3.31Å; M185-L189 PolarHBondContact O-N 2.78Å; L189-L196 HydrophobicContact CD1-CB 3.93Å; L189-L196 HydrophobicContact CD1-CD1 3.8Å; L189-L196 HydrophobicContact CD1-CG 4.47Å; L189-L196 HydrophobicContact CD2-CD1 3.97Å; L189-L196 HydrophobicContact CG-CB 4.21Å; L189-L196 HydrophobicContact CG-CD1 3.85Å; L189-I199 HydrophobicContact CD1-CD1 4.02Å
190M53.3Low61Low139 Ų13990.1 Ų90.169%0.68545%0.451SS*.Hα-helixtrans-76.3-29172.1-74.6-173.8168.200113.4Q186 R187 F301Q186-M190 WeakPolarHBondContact O-CG 3.48Å; Q186-M190 PolarHBondContact O-N 3.42Å; R187-M190 PolarHBondContact O-N 2.91Å; M190-F301 HydrophobicContact SD-CE2 4.16Å
191S69.8Low61.1Low77 Ų7790.4 Ų90.454%0.53845%0.453SS..Hα-helixtrans-88.6-18.8177.569.30000114.3R187 Q188 P193R187-S191 WeakPolarHBondContact O-CB 3.36Å; R187-S191 PolarHBondContact O-N 2.66Å; R187-S191 PolarHBondContact O-OG 3.39Å; Q188-S191 WeakPolarHBondContact CA-OG 3.17Å; Q188-S191 PolarHBondContact O-N 3.44Å; Q188-S191 PolarHBondContact O-OG 2.94Å; S191-P193 WeakPolarHBondContact O-CD 3.33Å
192N43.3Very low61.4Low64 Ų6489.9 Ų89.934%0.34245%0.45SS..  trans-125.178.1-170.8-151.753.5000111.5Q188 E194 M195 L196Q188-N192 WeakPolarHBondContact O-CA 3.39Å; Q188-N192 WeakPolarHBondContact O-CB 3.48Å; Q188-N192 PolarHBondContact O-N 2.98Å; N192-E194 PolarHBondContact O-N 2.86Å; N192-M195 HydrophobicContact CB-CB 4.32Å; N192-M195 WeakPolarHBondContact ND2-CB 3.47Å; N192-M195 PolarHBondContact O-N 3.42Å; N192-L196 PolarHBondContact O-N 3.22Å
193P60.3Low62.4Low95 Ų9592.6 Ų92.662%0.61747%0.472SS*.Hα-helixtrans-62-27.4-174.324.6-34.5000113.6S191 L196 S197S191-P193 WeakPolarHBondContact O-CD 3.33Å; P193-L196 PolarHBondContact O-N 3.31Å; P193-S197 WeakPolarHBondContact O-CB 3.35Å; P193-S197 PolarHBondContact O-N 3Å
194E76.8Confident62.9Low152 Ų15294.5 Ų94.571%0.7149%0.485SS*.Hα-helixtrans-58.7-42.3170.3-83.7-91.385.500112.5N192 S197 Q198N192-E194 PolarHBondContact O-N 2.86Å; E194-S197 WeakPolarHBondContact O-CB 3.41Å; E194-S197 PolarHBondContact O-N 3.22Å; E194-Q198 WeakPolarHBondContact O-CB 3.2Å; E194-Q198 PolarHBondContact O-N 2.96Å
195M65.4Low63.3Low84 Ų8489.7 Ų89.741%0.41446%0.464SS..Hα-helixtrans-74-35.2179.7-176.4176.1-171.700111.7Q188 N192 Q198 I199Q188-M195 HydrophobicContact CG-SD 4.41Å; N192-M195 HydrophobicContact CB-CB 4.32Å; N192-M195 WeakPolarHBondContact ND2-CB 3.47Å; N192-M195 PolarHBondContact O-N 3.42Å; M195-Q198 PolarHBondContact O-N 2.83Å; M195-I199 HydrophobicContact CE-CD1 4.3Å; M195-I199 HydrophobicContact CG-CD1 4.04Å; M195-I199 WeakPolarHBondContact O-CB 3.45Å; M195-I199 VanDerWaalsContact O-CG1 3.25Å; M195-I199 WeakPolarHBondContact O-CG1 3.47Å; M195-I199 PolarHBondContact O-N 3.19Å
196L61.1Low63.7Low74 Ų7488 Ų8839%0.38746%0.455SS..Hα-helixtrans-61.4-47.4169.217864.7000110.2L189 N192 P193 Q198 I199 M200L189-L196 HydrophobicContact CD1-CB 3.93Å; L189-L196 HydrophobicContact CD1-CD1 3.8Å; L189-L196 HydrophobicContact CD1-CG 4.47Å; L189-L196 HydrophobicContact CD2-CD1 3.97Å; L189-L196 HydrophobicContact CG-CB 4.21Å; L189-L196 HydrophobicContact CG-CD1 3.85Å; N192-L196 PolarHBondContact O-N 3.22Å; P193-L196 PolarHBondContact O-N 3.31Å; L196-Q198 PolarHBondContact O-N 2.84Å; L196-I199 PolarHBondContact O-N 3.47Å; L196-M200 VanDerWaalsContact O-CB 3.27Å; L196-M200 WeakPolarHBondContact O-CB 3.42Å; L196-M200 PolarHBondContact O-N 3.46Å
197S62.9Low64.4Low64 Ų6489.4 Ų89.445%0.44846%0.464SS..Hα-helixtrans-57.2-48.5176.3-167.90000111.5P193 E194 I199 M200 E201P193-S197 WeakPolarHBondContact O-CB 3.35Å; P193-S197 PolarHBondContact O-N 3Å; E194-S197 WeakPolarHBondContact O-CB 3.41Å; E194-S197 PolarHBondContact O-N 3.22Å; S197-I199 VanDerWaalsContact C-N 3.33Å; S197-I199 PolarHBondContact O-N 2.9Å; S197-M200 CarbonylContact O-C 3.53Å; S197-M200 PolarHBondContact O-N 2.86Å; S197-M200 VanDerWaalsContact O-N 3.1Å; S197-E201 VanDerWaalsContact O-CB 3.3Å; S197-E201 WeakPolarHBondContact O-CB 3.34Å; S197-E201 PolarHBondContact O-N 3.31Å
198Q66.3Low64.6Low124 Ų12483.9 Ų83.958%0.57945%0.446SS*.Hα-helixtrans-63.9-35.1179.5-169.3719000113.2E194 M195 L196 N202E194-Q198 WeakPolarHBondContact O-CB 3.2Å; E194-Q198 PolarHBondContact O-N 2.96Å; M195-Q198 PolarHBondContact O-N 2.83Å; L196-Q198 PolarHBondContact O-N 2.84Å; Q198-N202 PolarHBondContact O-N 3.34Å
199I64.6Low64.9Low55 Ų5580.6 Ų80.628%0.28243%0.43SS..Hα-helixtrans-70.7-39.7173.1-72.7169000110.3M185 L189 M195 L196 S197 N202 V205M185-I199 HydrophobicContact CE-CD1 4.07Å; L189-I199 HydrophobicContact CD1-CD1 4.02Å; M195-I199 HydrophobicContact CE-CD1 4.3Å; M195-I199 HydrophobicContact CG-CD1 4.04Å; M195-I199 WeakPolarHBondContact O-CB 3.45Å; M195-I199 VanDerWaalsContact O-CG1 3.25Å; M195-I199 WeakPolarHBondContact O-CG1 3.47Å; M195-I199 PolarHBondContact O-N 3.19Å; L196-I199 PolarHBondContact O-N 3.47Å; S197-I199 VanDerWaalsContact C-N 3.33Å; S197-I199 PolarHBondContact O-N 2.9Å; I199-N202 WeakPolarHBondContact O-CB 3.34Å; I199-N202 PolarHBondContact O-N 3.26Å; I199-V205 HydrophobicContact CG2-CG2 4.22Å; I199-V205 WeakPolarHBondContact O-CB 3.43Å; I199-V205 WeakPolarHBondContact O-CG1 3.3Å; I199-V205 VanDerWaalsContact O-CG2 3.26Å; I199-V205 WeakPolarHBondContact O-CG2 3.4Å
200M60.7Low65.9Low35 Ų3580.3 Ų80.317%0.17243%0.432CS..Hα-helixtrans-75.1-30.7-177.7-145173.282.100113.2L196 S197 N202 M209 M249 R253L196-M200 VanDerWaalsContact O-CB 3.27Å; L196-M200 WeakPolarHBondContact O-CB 3.42Å; L196-M200 PolarHBondContact O-N 3.46Å; S197-M200 CarbonylContact O-C 3.53Å; S197-M200 PolarHBondContact O-N 2.86Å; S197-M200 VanDerWaalsContact O-N 3.1Å; M200-N202 VanDerWaalsContact C-N 3.27Å; M200-M209 HydrophobicContact CE-CE 4.05Å; M200-M209 HydrophobicContact CG-CE 3.48Å; M200-M209 VanDerWaalsContact CG-CE 3.48Å; M200-M209 HydrophobicContact CG-SD 3.23Å; M200-M209 WeakPolarHBondContact CG-SD 3.39Å; M200-M209 HydrophobicContact SD-CE 3.69Å; M200-M209 HydrophobicContact SD-SD 4.05Å; M200-M249 HydrophobicContact SD-CE 4.21Å; M200-R253 VanDerWaalsContact CE-CA 3.45Å; M200-R253 HydrophobicContact CE-CB 3.95Å
201E67.9Low66.9Low130 Ų13076.8 Ų76.861%0.60742%0.417SS*.SBendtrans-73.7-17.6172.7-160.4-155.714300112.3S197S197-E201 VanDerWaalsContact O-CB 3.3Å; S197-E201 WeakPolarHBondContact O-CB 3.34Å; S197-E201 PolarHBondContact O-N 3.31Å
202N73.1Confident66.7Low75 Ų7574.2 Ų74.240%0.40140%0.398SS..SBendtrans-61.1126.3-179.5-169-58.3000110Q198 I199 M200 L204 V205 Q206Q198-N202 PolarHBondContact O-N 3.34Å; I199-N202 WeakPolarHBondContact O-CB 3.34Å; I199-N202 PolarHBondContact O-N 3.26Å; M200-N202 VanDerWaalsContact C-N 3.27Å; N202-L204 PolarHBondContact O-N 2.94Å; N202-L204 WeakPolarHBondContact OD1-CB 3.49Å; N202-L204 PolarHBondContact OD1-N 3.35Å; N202-L204 VanDerWaalsContact OD1-N 3.15Å; N202-V205 HydrophobicContact CB-CB 4.28Å; N202-V205 HydrophobicContact CB-CG2 4.15Å; N202-V205 CarbonylContact O-C 3.6Å; N202-V205 WeakPolarHBondContact O-CA 3.3Å; N202-V205 PolarHBondContact O-N 2.89Å; N202-Q206 PolarHBondContact O-N 2.95Å
203P71.7Confident68.4Low106 Ų10677.2 Ų77.269%0.68841%0.414SS*.Hα-helixtrans-59.9-25.6-173.821.6-33.3000114D207P203-D207 PolarHBondContact O-N 3.14Å
204L76.1Confident69.3Low135 Ų13575.3 Ų75.371%0.70740%0.399SS*.Hα-helixtrans-68.5-39172-176.371.3000112.1N202 M208N202-L204 PolarHBondContact O-N 2.94Å; N202-L204 WeakPolarHBondContact OD1-CB 3.49Å; N202-L204 PolarHBondContact OD1-N 3.35Å; N202-L204 VanDerWaalsContact OD1-N 3.15Å; L204-M208 WeakPolarHBondContact O-CB 3.37Å; L204-M208 PolarHBondContact O-N 3.04Å
205V72.8Confident68.8Low24 Ų2469.2 Ų69.215%0.14537%0.37CS..Hα-helixtrans-79.3-33.1178.1179.10000110.6I199 N202 D207 M208 M209I199-V205 HydrophobicContact CG2-CG2 4.22Å; I199-V205 WeakPolarHBondContact O-CB 3.43Å; I199-V205 WeakPolarHBondContact O-CG1 3.3Å; I199-V205 VanDerWaalsContact O-CG2 3.26Å; I199-V205 WeakPolarHBondContact O-CG2 3.4Å; N202-V205 HydrophobicContact CB-CB 4.28Å; N202-V205 HydrophobicContact CB-CG2 4.15Å; N202-V205 CarbonylContact O-C 3.6Å; N202-V205 WeakPolarHBondContact O-CA 3.3Å; N202-V205 PolarHBondContact O-N 2.89Å; V205-D207 VanDerWaalsContact C-N 3.26Å; V205-D207 PolarHBondContact O-N 3.17Å; V205-M208 HydrophobicContact CG1-CE 4.35Å; V205-M208 HydrophobicContact CG2-CE 4.31Å; V205-M208 CarbonylContact O-C 3.55Å; V205-M208 WeakPolarHBondContact O-CB 3.09Å; V205-M208 PolarHBondContact O-N 3.47Å; V205-M208 VanDerWaalsContact O-N 3.13Å; V205-M209 HydrophobicContact CG1-CG 4.23Å; V205-M209 HydrophobicContact CG1-SD 3.77Å; V205-M209 WeakPolarHBondContact O-CB 3.38Å; V205-M209 VanDerWaalsContact O-CG 3.25Å; V205-M209 WeakPolarHBondContact O-CG 3.19Å; V205-M209 PolarHBondContact O-N 3.03Å
206Q64.1Low69Low61 Ų6168.3 Ų68.329%0.28536%0.362SS..Hα-helixtrans-57.9-40169.4-163.579.8-47.200111.3N202 S210 R253N202-Q206 PolarHBondContact O-N 2.95Å; Q206-S210 VanDerWaalsContact O-CB 3.31Å; Q206-S210 WeakPolarHBondContact O-CB 3.21Å; Q206-S210 PolarHBondContact O-N 3.09Å; Q206-S210 PolarHBondContact O-OG 2.96Å; Q206-R253 VanDerWaalsContact CD-NH1 3.28Å
207D67.1Low69.6Low86 Ų8668.9 Ų68.946%0.4636%0.363SS..Hα-helixtrans-73.6-37.4172.1-167.4-102.4000112.4P203 V205 M209 S210 N211P203-D207 PolarHBondContact O-N 3.14Å; V205-D207 VanDerWaalsContact C-N 3.26Å; V205-D207 PolarHBondContact O-N 3.17Å; D207-M209 VanDerWaalsContact C-N 3.28Å; D207-M209 PolarHBondContact O-N 3.28Å; D207-S210 WeakPolarHBondContact CA-OG 3.22Å; D207-S210 PolarHBondContact O-N 3.38Å; D207-S210 PolarHBondContact O-OG 2.83Å; D207-N211 VanDerWaalsContact CG-ND2 3.34Å; D207-N211 VanDerWaalsContact O-CB 3.32Å; D207-N211 WeakPolarHBondContact O-CB 3.31Å; D207-N211 PolarHBondContact O-N 2.99Å; D207-N211 VanDerWaalsContact O-N 3.14Å; D207-N211 PolarHBondContact O-ND2 3.06Å; D207-N211 PolarHBondContact OD1-ND2 3.09Å; D207-N211 PolarHBondContact OD2-ND2 3.15Å
208M66.3Low69.8Low43 Ų4370.4 Ų70.421%0.21236%0.364CS..Hα-helixtrans-65.3-29.2174.7-169.1161.270.700113.8L204 V205 L214 M218L204-M208 WeakPolarHBondContact O-CB 3.37Å; L204-M208 PolarHBondContact O-N 3.04Å; V205-M208 HydrophobicContact CG1-CE 4.35Å; V205-M208 HydrophobicContact CG2-CE 4.31Å; V205-M208 CarbonylContact O-C 3.55Å; V205-M208 WeakPolarHBondContact O-CB 3.09Å; V205-M208 PolarHBondContact O-N 3.47Å; V205-M208 VanDerWaalsContact O-N 3.13Å; M208-L214 HydrophobicContact CB-CD2 4.2Å; M208-L214 HydrophobicContact CG-CD2 3.87Å; M208-L214 HydrophobicContact CG-CG 3.94Å; M208-M218 HydrophobicContact CE-CE 3.64Å; M208-M218 HydrophobicContact CE-SD 3.52Å; M208-M218 VanDerWaalsContact CE-SD 3.52Å; M208-M218 HydrophobicContact SD-CE 3.32Å; M208-M218 WeakPolarHBondContact SD-CE 3.45Å; M208-M218 HydrophobicContact SD-SD 3.74Å
209M64Low69.9Low19 Ų1965.2 Ų65.29%0.09434%0.34CS..Hα-helixtrans-90.3-27.4177.4-70.8170.344.900113.4M200 V205 D207 N211 M215 M249 R253M200-M209 HydrophobicContact CE-CE 4.05Å; M200-M209 HydrophobicContact CG-CE 3.48Å; M200-M209 VanDerWaalsContact CG-CE 3.48Å; M200-M209 HydrophobicContact CG-SD 3.23Å; M200-M209 WeakPolarHBondContact CG-SD 3.39Å; M200-M209 HydrophobicContact SD-CE 3.69Å; M200-M209 HydrophobicContact SD-SD 4.05Å; V205-M209 HydrophobicContact CG1-CG 4.23Å; V205-M209 HydrophobicContact CG1-SD 3.77Å; V205-M209 WeakPolarHBondContact O-CB 3.38Å; V205-M209 VanDerWaalsContact O-CG 3.25Å; V205-M209 WeakPolarHBondContact O-CG 3.19Å; V205-M209 PolarHBondContact O-N 3.03Å; D207-M209 VanDerWaalsContact C-N 3.28Å; D207-M209 PolarHBondContact O-N 3.28Å; M209-N211 VanDerWaalsContact C-N 3.31Å; M209-M215 HydrophobicContact CB-CE 4.23Å; M209-M215 HydrophobicContact CB-SD 4.41Å; M209-M215 HydrophobicContact CG-CE 3.67Å; M209-M215 HydrophobicContact CG-SD 4.41Å; M209-M249 HydrophobicContact CE-CE 3.54Å; M209-M249 HydrophobicContact CE-CG 3.65Å; M209-M249 HydrophobicContact CE-SD 4.44Å; M209-M249 HydrophobicContact CG-CE 4.19Å; M209-M249 HydrophobicContact SD-CE 3.86Å; M209-R253 HydrophobicContact CE-CB 4.48Å
210S76Confident70.3Confident44 Ų4467.9 Ų67.931%0.30835%0.352SS..Hα-helixtrans-73.5-27.4174.168.60000112.1Q206 D207 P212 R246Q206-S210 VanDerWaalsContact O-CB 3.31Å; Q206-S210 WeakPolarHBondContact O-CB 3.21Å; Q206-S210 PolarHBondContact O-N 3.09Å; Q206-S210 PolarHBondContact O-OG 2.96Å; D207-S210 WeakPolarHBondContact CA-OG 3.22Å; D207-S210 PolarHBondContact O-N 3.38Å; D207-S210 PolarHBondContact O-OG 2.83Å; S210-P212 VanDerWaalsContact O-CD 3.24Å; S210-P212 WeakPolarHBondContact O-CD 3.46Å; S210-R246 PolarHBondContact O-NH2 2.93Å
211N74.1Confident70.9Confident66 Ų6669.3 Ų69.335%0.35337%0.37SS..  trans-92.696.9178.2-73.8-53.2000111.8D207 M209 D213 L214 M215D207-N211 VanDerWaalsContact CG-ND2 3.34Å; D207-N211 VanDerWaalsContact O-CB 3.32Å; D207-N211 WeakPolarHBondContact O-CB 3.31Å; D207-N211 PolarHBondContact O-N 2.99Å; D207-N211 VanDerWaalsContact O-N 3.14Å; D207-N211 PolarHBondContact O-ND2 3.06Å; D207-N211 PolarHBondContact OD1-ND2 3.09Å; D207-N211 PolarHBondContact OD2-ND2 3.15Å; M209-N211 VanDerWaalsContact C-N 3.31Å; N211-D213 PolarHBondContact O-N 3.05Å; N211-L214 HydrophobicContact CB-CB 4.09Å; N211-L214 PolarHBondContact O-N 3.18Å; N211-M215 PolarHBondContact O-N 3.42Å
212P65.9Low70.2Confident23 Ų2365.2 Ų65.215%0.14935%0.352CS..Hα-helixtrans-63.5-28.4-175.327.9-36.1000112.8S210 M215 R216 P242S210-P212 VanDerWaalsContact O-CD 3.24Å; S210-P212 WeakPolarHBondContact O-CD 3.46Å; P212-M215 PolarHBondContact O-N 3.29Å; P212-R216 VanDerWaalsContact O-CB 3.27Å; P212-R216 WeakPolarHBondContact O-CB 3.43Å; P212-R216 VanDerWaalsContact O-CD 3.25Å; P212-R216 WeakPolarHBondContact O-CD 3.44Å; P212-R216 WeakPolarHBondContact O-CG 3.36Å; P212-R216 PolarHBondContact O-N 3.48Å; P212-P242 HydrophobicContact CB-CB 4.16Å; P212-P242 HydrophobicContact CG-CB 4.46Å
213D80.1Confident70.2Confident126 Ų12665.2 Ų65.267%0.67436%0.356SS*.Hα-helixtrans-70.5-42.2177.7-62-76.9000112.7N211 M215 H217N211-D213 PolarHBondContact O-N 3.05Å; D213-M215 VanDerWaalsContact C-N 3.3Å; D213-H217 VanDerWaalsContact O-CB 3.27Å; D213-H217 WeakPolarHBondContact O-CB 3.29Å; D213-H217 PolarHBondContact O-N 3.38Å
214L78.7Confident69.8Low56 Ų5662.4 Ų62.429%0.29333%0.334SS..Hα-helixtrans-67.8-36.4174.7-177.857.6000110.7M208 N211 H217 M218 Y405M208-L214 HydrophobicContact CB-CD2 4.2Å; M208-L214 HydrophobicContact CG-CD2 3.87Å; M208-L214 HydrophobicContact CG-CG 3.94Å; N211-L214 HydrophobicContact CB-CB 4.09Å; N211-L214 PolarHBondContact O-N 3.18Å; L214-H217 PolarHBondContact O-N 3.42Å; L214-M218 PolarHBondContact O-N 3.45Å; L214-Y405 HydrophobicContact CD1-CE2 4.38Å
215M66.3Low69.3Low23 Ų2358.4 Ų58.411%0.11331%0.312CS..Hα-helixtrans-66.5-49.4175.4-148174.2-170.200112.1M209 N211 P212 D213 H217 M218 I219 M245 M249M209-M215 HydrophobicContact CB-CE 4.23Å; M209-M215 HydrophobicContact CB-SD 4.41Å; M209-M215 HydrophobicContact CG-CE 3.67Å; M209-M215 HydrophobicContact CG-SD 4.41Å; N211-M215 PolarHBondContact O-N 3.42Å; P212-M215 PolarHBondContact O-N 3.29Å; D213-M215 VanDerWaalsContact C-N 3.3Å; M215-H217 PolarHBondContact O-N 2.91Å; M215-M218 PolarHBondContact O-N 2.82Å; M215-I219 HydrophobicContact CG-CD1 4.12Å; M215-I219 VanDerWaalsContact O-CB 3.31Å; M215-I219 WeakPolarHBondContact O-CB 3.19Å; M215-I219 WeakPolarHBondContact O-CD1 3.44Å; M215-I219 WeakPolarHBondContact O-CG1 3.45Å; M215-I219 PolarHBondContact O-N 2.76Å; M215-M245 HydrophobicContact CB-CE 3.95Å; M215-M245 HydrophobicContact CE-CE 4.19Å; M215-M245 HydrophobicContact CG-CE 3.53Å; M215-M245 HydrophobicContact SD-CE 3.39Å; M215-M245 WeakPolarHBondContact SD-CE 3.36Å; M215-M245 HydrophobicContact SD-SD 4.41Å; M215-M249 HydrophobicContact CE-CE 3.51Å; M215-M249 HydrophobicContact CE-CG 3.8Å; M215-M249 HydrophobicContact CE-SD 3.4Å; M215-M249 WeakPolarHBondContact CE-SD 3.42Å; M215-M249 HydrophobicContact SD-CG 4.42Å
216R69.3Low69.2Low66 Ų6661.8 Ų61.825%0.24933%0.326CS..Hα-helixtrans-57.6-38171.9-72.7158.793.2125.2-3.4111P212 I219 M220 L239 N240 M245P212-R216 VanDerWaalsContact O-CB 3.27Å; P212-R216 WeakPolarHBondContact O-CB 3.43Å; P212-R216 VanDerWaalsContact O-CD 3.25Å; P212-R216 WeakPolarHBondContact O-CD 3.44Å; P212-R216 WeakPolarHBondContact O-CG 3.36Å; P212-R216 PolarHBondContact O-N 3.48Å; R216-I219 PolarHBondContact O-N 3.16Å; R216-M220 WeakPolarHBondContact O-CB 3.29Å; R216-M220 WeakPolarHBondContact O-CG 3.28Å; R216-M220 PolarHBondContact O-N 3.4Å; R216-L239 PolarHBondContact NE-O 3.22Å; R216-L239 PolarHBondContact NH1-O 2.85Å; R216-L239 PolarHBondContact NH2-O 2.98Å; R216-N240 PolarHBondContact NH1-O 3.06Å; R216-N240 PolarHBondContact NH2-O 3.25Å; R216-M245 HydrophobicContact CG-SD 4.32Å
217H72.9Confident69.4Low85 Ų8563.7 Ų63.739%0.39434%0.335SS..Hα-helixtrans-66.2-46.4175.1-169.770.3000112.3D213 L214 M215 I219 M220 A221 Y405D213-H217 VanDerWaalsContact O-CB 3.27Å; D213-H217 WeakPolarHBondContact O-CB 3.29Å; D213-H217 PolarHBondContact O-N 3.38Å; L214-H217 PolarHBondContact O-N 3.42Å; M215-H217 PolarHBondContact O-N 2.91Å; H217-I219 VanDerWaalsContact C-N 3.27Å; H217-I219 PolarHBondContact O-N 3.33Å; H217-M220 PolarHBondContact O-N 3.4Å; H217-A221 WeakPolarHBondContact O-CB 3.29Å; H217-A221 PolarHBondContact O-N 2.85Å; H217-Y405 AromaticContact CD2-CD2 3.52Å; H217-Y405 AromaticContact CD2-CE2 3.74Å; H217-Y405 AromaticContact NE2-CD2 3.23Å; H217-Y405 WeakPolarHBondContact NE2-CD2 3.31Å; H217-Y405 AromaticContact NE2-CE2 3.92Å; H217-Y405 AromaticContact NE2-CG 3.79Å
218M67.2Low69.2Low96 Ų9661.7 Ų61.747%0.47333%0.325SS..Hα-helixtrans-61.4-37.3175.1175162.5-76.200112M208 L214 M215 A221 N222M208-M218 HydrophobicContact CE-CE 3.64Å; M208-M218 HydrophobicContact CE-SD 3.52Å; M208-M218 VanDerWaalsContact CE-SD 3.52Å; M208-M218 HydrophobicContact SD-CE 3.32Å; M208-M218 WeakPolarHBondContact SD-CE 3.45Å; M208-M218 HydrophobicContact SD-SD 3.74Å; L214-M218 PolarHBondContact O-N 3.45Å; M215-M218 PolarHBondContact O-N 2.82Å; M218-A221 PolarHBondContact O-N 3.35Å; M218-N222 WeakPolarHBondContact O-CB 3.46Å; M218-N222 PolarHBondContact O-N 2.99Å
219I68.8Low69.3Low15 Ų1561.2 Ų61.28%0.07732%0.322CS..Hα-helixtrans-73-41.6-179-70.2170.9000111.4M215 R216 H217 N222 M225 L239 M245M215-I219 HydrophobicContact CG-CD1 4.12Å; M215-I219 VanDerWaalsContact O-CB 3.31Å; M215-I219 WeakPolarHBondContact O-CB 3.19Å; M215-I219 WeakPolarHBondContact O-CD1 3.44Å; M215-I219 WeakPolarHBondContact O-CG1 3.45Å; M215-I219 PolarHBondContact O-N 2.76Å; R216-I219 PolarHBondContact O-N 3.16Å; H217-I219 VanDerWaalsContact C-N 3.27Å; H217-I219 PolarHBondContact O-N 3.33Å; I219-N222 PolarHBondContact O-N 2.85Å; I219-M225 HydrophobicContact CB-CE 4.31Å; I219-M225 HydrophobicContact CB-SD 4.11Å; I219-M225 HydrophobicContact CD1-CE 3.7Å; I219-M225 HydrophobicContact CD1-SD 4.31Å; I219-M225 HydrophobicContact CG1-CE 3.73Å; I219-M225 HydrophobicContact CG1-SD 3.66Å; I219-M225 HydrophobicContact CG2-CB 4.37Å; I219-M225 HydrophobicContact CG2-CE 3.71Å; I219-M225 HydrophobicContact CG2-CG 3.83Å; I219-M225 HydrophobicContact CG2-SD 3.74Å; I219-L239 HydrophobicContact CD1-CD2 3.52Å; I219-L239 HydrophobicContact CG2-CD1 3.54Å; I219-L239 HydrophobicContact CG2-CD2 3.86Å; I219-L239 HydrophobicContact CG2-CG 4.34Å; I219-M245 HydrophobicContact CD1-CE 3.27Å
220M73.5Confident69.6Low111 Ų11167.3 Ų67.355%0.54735%0.351SS..Hα-helixtrans-70.8-28.9169.9-75.7-173.8163.400112.7R216 H217 N222 Q226 M229R216-M220 WeakPolarHBondContact O-CB 3.29Å; R216-M220 WeakPolarHBondContact O-CG 3.28Å; R216-M220 PolarHBondContact O-N 3.4Å; H217-M220 PolarHBondContact O-N 3.4Å; M220-N222 VanDerWaalsContact C-N 3.31Å; M220-Q226 PolarHBondContact O-NE2 3.29Å; M220-M229 HydrophobicContact CE-CE 4.42Å
221A73.7Confident69.4Low66 Ų6672.3 Ų72.355%0.54536%0.363SS..Hα-helixtrans-76.3-18.9175.300000112.6H217 M218 P223H217-A221 WeakPolarHBondContact O-CB 3.29Å; H217-A221 PolarHBondContact O-N 2.85Å; M218-A221 PolarHBondContact O-N 3.35Å; A221-P223 VanDerWaalsContact O-CD 3.31Å; A221-P223 WeakPolarHBondContact O-CD 3.16Å
222N53.1Low68.3Low44 Ų4470.1 Ų70.124%0.23535%0.351CS..  trans-88.3108.1176.5-172.8-12.3000110.6M218 I219 M220 Q224 M225 Q226M218-N222 WeakPolarHBondContact O-CB 3.46Å; M218-N222 PolarHBondContact O-N 2.99Å; I219-N222 PolarHBondContact O-N 2.85Å; M220-N222 VanDerWaalsContact C-N 3.31Å; N222-Q224 VanDerWaalsContact C-N 3.26Å; N222-Q224 PolarHBondContact O-N 3.31Å; N222-Q224 PolarHBondContact OD1-N 3.36Å; N222-M225 HydrophobicContact CB-CB 4.07Å; N222-M225 PolarHBondContact O-N 2.7Å; N222-Q226 PolarHBondContact O-N 3.07Å
223P72.6Confident68.8Low74 Ų7472.9 Ų72.948%0.48137%0.369SS..Hα-helixtrans-64.1-28.5-175.326.5-35.3000113.3A221 M225 Q227A221-P223 VanDerWaalsContact O-CD 3.31Å; A221-P223 WeakPolarHBondContact O-CD 3.16Å; P223-M225 VanDerWaalsContact C-N 3.27Å; P223-M225 PolarHBondContact O-N 3.44Å; P223-Q227 WeakPolarHBondContact O-CG 3.35Å; P223-Q227 PolarHBondContact O-N 2.91Å
224Q64.2Low68.4Low48 Ų4872.2 Ų72.222%0.22436%0.362CS..Hα-helixtrans-68.3-29.4174-65.6-176.4-60.600112.1N222 L228N222-Q224 VanDerWaalsContact C-N 3.26Å; N222-Q224 PolarHBondContact O-N 3.31Å; N222-Q224 PolarHBondContact OD1-N 3.36Å; Q224-L228 PolarHBondContact O-N 2.77Å
225M64.2Low67.8Low51 Ų5170.8 Ų70.825%0.25135%0.354SS..Hα-helixtrans-88.5-24.1-178.3-154.8164.3167.100112.4I219 N222 P223 L228 M229I219-M225 HydrophobicContact CB-CE 4.31Å; I219-M225 HydrophobicContact CB-SD 4.11Å; I219-M225 HydrophobicContact CD1-CE 3.7Å; I219-M225 HydrophobicContact CD1-SD 4.31Å; I219-M225 HydrophobicContact CG1-CE 3.73Å; I219-M225 HydrophobicContact CG1-SD 3.66Å; I219-M225 HydrophobicContact CG2-CB 4.37Å; I219-M225 HydrophobicContact CG2-CE 3.71Å; I219-M225 HydrophobicContact CG2-CG 3.83Å; I219-M225 HydrophobicContact CG2-SD 3.74Å; N222-M225 HydrophobicContact CB-CB 4.07Å; N222-M225 PolarHBondContact O-N 2.7Å; P223-M225 VanDerWaalsContact C-N 3.27Å; P223-M225 PolarHBondContact O-N 3.44Å; M225-L228 PolarHBondContact O-N 3.02Å; M225-M229 WeakPolarHBondContact O-CB 3.42Å; M225-M229 PolarHBondContact O-N 3.23Å
226Q71.4Confident68.1Low94 Ų9471.2 Ų71.244%0.43936%0.359SS..Hα-helixtrans-57.5-51.2160.1-71.4-169.1-2.300110.9M220 N222 L228 M229 E230M220-Q226 PolarHBondContact O-NE2 3.29Å; N222-Q226 PolarHBondContact O-N 3.07Å; Q226-L228 PolarHBondContact O-N 3.2Å; Q226-L228 VanDerWaalsContact O-N 3.16Å; Q226-M229 CarbonylContact O-C 3.58Å; Q226-M229 WeakPolarHBondContact O-CA 3.32Å; Q226-M229 WeakPolarHBondContact O-CB 3.4Å; Q226-M229 PolarHBondContact O-N 2.76Å; Q226-E230 WeakPolarHBondContact O-CG 3.4Å; Q226-E230 PolarHBondContact O-N 3.21Å
227Q69.1Low68.5Low101 Ų10174.4 Ų74.447%0.47238%0.377SS..Hα-helixtrans-56.7-35.7177.3-69.8174.9-2600112.8P223 E230 R231P223-Q227 WeakPolarHBondContact O-CG 3.35Å; P223-Q227 PolarHBondContact O-N 2.91Å; Q227-E230 WeakPolarHBondContact CA-OE2 3.31Å; Q227-E230 PolarHBondContact N-OE2 3.38Å; Q227-R231 WeakPolarHBondContact O-CB 3.44Å; Q227-R231 VanDerWaalsContact O-CG 3.3Å; Q227-R231 WeakPolarHBondContact O-CG 3.18Å; Q227-R231 PolarHBondContact O-N 2.81Å
228L62.5Low68.2Low45 Ų4572.5 Ų72.524%0.23637%0.368CS..Hα-helixtrans-71.8-36.9175.3-172.663.1000112.6Q224 M225 Q226 R231 N232 I235 A296Q224-L228 PolarHBondContact O-N 2.77Å; M225-L228 PolarHBondContact O-N 3.02Å; Q226-L228 PolarHBondContact O-N 3.2Å; Q226-L228 VanDerWaalsContact O-N 3.16Å; L228-R231 PolarHBondContact O-N 3.41Å; L228-N232 PolarHBondContact O-N 2.87Å; L228-I235 HydrophobicContact CD1-CD1 3.97Å; L228-I235 HydrophobicContact CD2-CD1 3.81Å; L228-I235 HydrophobicContact CG-CD1 3.61Å; L228-A296 HydrophobicContact CD1-CB 4.28Å
229M67.5Low68.4Low32 Ų3268.1 Ų68.116%0.15835%0.347CS..Hα-helixtrans-70.9-29.6174.8-170177.4-177.200112.6M220 M225 Q226 S236 L239M220-M229 HydrophobicContact CE-CE 4.42Å; M225-M229 WeakPolarHBondContact O-CB 3.42Å; M225-M229 PolarHBondContact O-N 3.23Å; Q226-M229 CarbonylContact O-C 3.58Å; Q226-M229 WeakPolarHBondContact O-CA 3.32Å; Q226-M229 WeakPolarHBondContact O-CB 3.4Å; Q226-M229 PolarHBondContact O-N 2.76Å; M229-S236 WeakPolarHBondContact CE-OG 3.3Å; M229-L239 HydrophobicContact CB-CD1 4.32Å; M229-L239 HydrophobicContact CE-CB 4.09Å; M229-L239 HydrophobicContact CE-CD1 4.2Å; M229-L239 HydrophobicContact CG-CD1 3.96Å; M229-L239 HydrophobicContact SD-CD1 3.65Å
230E71.6Confident68.9Low148 Ų14871.9 Ų71.969%0.69237%0.367SS*.Hα-helixtrans-76.5-38.7172.1-69.1170.695.200112.1Q226 Q227Q226-E230 WeakPolarHBondContact O-CG 3.4Å; Q226-E230 PolarHBondContact O-N 3.21Å; Q227-E230 WeakPolarHBondContact CA-OE2 3.31Å; Q227-E230 PolarHBondContact N-OE2 3.38Å
231R69.9Low69Low149 Ų14970.7 Ų70.756%0.56236%0.363SS*.Hα-helixtrans-76.8-32.4177.8-75.6-174.376.881-4.4113.6Q227 L228 E299Q227-R231 WeakPolarHBondContact O-CB 3.44Å; Q227-R231 VanDerWaalsContact O-CG 3.3Å; Q227-R231 WeakPolarHBondContact O-CG 3.18Å; Q227-R231 PolarHBondContact O-N 2.81Å; L228-R231 PolarHBondContact O-N 3.41Å; R231-E299 IonicContact CZ-OE2 2.79Å; R231-E299 IonicContact NH2-OE2 3.49Å; R231-E299 PolarHBondContact NH2-OE2 2.85Å
232N52.8Low68.9Low19 Ų1969.8 Ų69.810%0.10235%0.352CS..  trans-122.2103.8-178.2-166.6-18.3000111.7L228 E234 I235 S236L228-N232 PolarHBondContact O-N 2.87Å; N232-E234 PolarHBondContact O-N 3.07Å; N232-E234 WeakPolarHBondContact OD1-CB 3.43Å; N232-E234 PolarHBondContact OD1-N 2.75Å; N232-I235 HydrophobicContact CB-CB 4.28Å; N232-I235 HydrophobicContact CB-CD1 4Å; N232-I235 HydrophobicContact CB-CG1 4.12Å; N232-I235 PolarHBondContact O-N 3.15Å; N232-I235 VanDerWaalsContact O-N 3.11Å; N232-S236 PolarHBondContact O-N 2.61Å
233P75.8Confident70.1Confident81 Ų8173.4 Ų73.453%0.52637%0.367SS..Hα-helixtrans-65.4-20.9-179.928.2-34.9000112.7S236 H237P233-S236 CarbonylContact O-C 3.48Å; P233-S236 WeakPolarHBondContact O-CB 3.5Å; P233-S236 PolarHBondContact O-N 2.66Å; P233-H237 PolarHBondContact O-N 3.03Å; P233-H237 PolarHBondContact O-ND1 3.44Å
234E72.1Confident70.3Confident113 Ų11373 Ų7353%0.52836%0.36SS..Hα-helixtrans-70.6-36.7173.7-64.5-150.8111.500112.1N232 S236 H237 M238N232-E234 PolarHBondContact O-N 3.07Å; N232-E234 WeakPolarHBondContact OD1-CB 3.43Å; N232-E234 PolarHBondContact OD1-N 2.75Å; E234-S236 VanDerWaalsContact C-N 3.26Å; E234-S236 PolarHBondContact O-N 3.5Å; E234-H237 CarbonylContact O-C 3.52Å; E234-H237 PolarHBondContact O-N 2.88Å; E234-H237 VanDerWaalsContact O-N 3.1Å; E234-M238 WeakPolarHBondContact O-CB 3.43Å; E234-M238 PolarHBondContact O-N 3.11Å
235I66.4Low70.4Confident25 Ų2571 Ų7113%0.12835%0.351CS..Hα-helixtrans-64.6-38171.4-67.2176.8000109.1L228 N232 H237 M238 L239L228-I235 HydrophobicContact CD1-CD1 3.97Å; L228-I235 HydrophobicContact CD2-CD1 3.81Å; L228-I235 HydrophobicContact CG-CD1 3.61Å; N232-I235 HydrophobicContact CB-CB 4.28Å; N232-I235 HydrophobicContact CB-CD1 4Å; N232-I235 HydrophobicContact CB-CG1 4.12Å; N232-I235 PolarHBondContact O-N 3.15Å; N232-I235 VanDerWaalsContact O-N 3.11Å; I235-H237 VanDerWaalsContact C-N 3.35Å; I235-H237 PolarHBondContact O-N 2.85Å; I235-M238 PolarHBondContact O-N 3.12Å; I235-L239 HydrophobicContact CG2-CD1 3.71Å; I235-L239 HydrophobicContact CG2-CG 4.2Å; I235-L239 VanDerWaalsContact O-CB 3.3Å; I235-L239 WeakPolarHBondContact O-CB 3.49Å; I235-L239 WeakPolarHBondContact O-CG 3.28Å; I235-L239 PolarHBondContact O-N 2.94Å
236S70.8Confident70.8Confident32 Ų3274.1 Ų74.122%0.22436%0.36CS..Hα-helixtrans-61.6-38.1170.7-166.60000113.1M229 N232 P233 E234 N240M229-S236 WeakPolarHBondContact CE-OG 3.3Å; N232-S236 PolarHBondContact O-N 2.61Å; P233-S236 CarbonylContact O-C 3.48Å; P233-S236 WeakPolarHBondContact O-CB 3.5Å; P233-S236 PolarHBondContact O-N 2.66Å; E234-S236 VanDerWaalsContact C-N 3.26Å; E234-S236 PolarHBondContact O-N 3.5Å; S236-N240 VanDerWaalsContact O-CB 3.26Å; S236-N240 WeakPolarHBondContact O-CB 3.37Å; S236-N240 PolarHBondContact O-N 2.98Å; S236-N240 PolarHBondContact O-ND2 3.31Å
237H78.1Confident70.8Confident133 Ų13375 Ų7562%0.61637%0.365SS*.Hα-helixtrans-71.6-40.1174.8-76.474.5000112.8P233 E234 I235 N240 N241P233-H237 PolarHBondContact O-N 3.03Å; P233-H237 PolarHBondContact O-ND1 3.44Å; E234-H237 CarbonylContact O-C 3.52Å; E234-H237 PolarHBondContact O-N 2.88Å; E234-H237 VanDerWaalsContact O-N 3.1Å; I235-H237 VanDerWaalsContact C-N 3.35Å; I235-H237 PolarHBondContact O-N 2.85Å; H237-N240 PolarHBondContact O-N 3.5Å; H237-N241 VanDerWaalsContact O-CB 3.26Å; H237-N241 WeakPolarHBondContact O-CB 3.23Å; H237-N241 PolarHBondContact O-N 3.33Å
238M66.8Low70.8Confident45 Ų4572.9 Ų72.922%0.22236%0.359CS..Hα-helixtrans-60.8-46.5174.5-167.7-166.193.700110.9E234 I235 N241 L244 M245 T248E234-M238 WeakPolarHBondContact O-CB 3.43Å; E234-M238 PolarHBondContact O-N 3.11Å; I235-M238 PolarHBondContact O-N 3.12Å; M238-N241 PolarHBondContact O-N 3.42Å; M238-L244 HydrophobicContact CB-CD2 4.32Å; M238-L244 HydrophobicContact CG-CD2 4.32Å; M238-L244 HydrophobicContact CG-CG 4.1Å; M238-M245 HydrophobicContact CE-CG 4.32Å; M238-T248 HydrophobicContact SD-CG2 3.88Å
239L71.5Confident70.9Confident5 Ų573.2 Ų73.23%0.02636%0.359CS..Hα-helixtrans-70.8-30.2177.1-66172.4000112.8R216 I219 M229 I235 M245R216-L239 PolarHBondContact NE-O 3.22Å; R216-L239 PolarHBondContact NH1-O 2.85Å; R216-L239 PolarHBondContact NH2-O 2.98Å; I219-L239 HydrophobicContact CD1-CD2 3.52Å; I219-L239 HydrophobicContact CG2-CD1 3.54Å; I219-L239 HydrophobicContact CG2-CD2 3.86Å; I219-L239 HydrophobicContact CG2-CG 4.34Å; M229-L239 HydrophobicContact CB-CD1 4.32Å; M229-L239 HydrophobicContact CE-CB 4.09Å; M229-L239 HydrophobicContact CE-CD1 4.2Å; M229-L239 HydrophobicContact CG-CD1 3.96Å; M229-L239 HydrophobicContact SD-CD1 3.65Å; I235-L239 HydrophobicContact CG2-CD1 3.71Å; I235-L239 HydrophobicContact CG2-CG 4.2Å; I235-L239 VanDerWaalsContact O-CB 3.3Å; I235-L239 WeakPolarHBondContact O-CB 3.49Å; I235-L239 WeakPolarHBondContact O-CG 3.28Å; I235-L239 PolarHBondContact O-N 2.94Å; L239-M245 HydrophobicContact CD2-CE 3.7Å; L239-M245 HydrophobicContact CD2-SD 4.06Å
240N78.4Confident71Confident94 Ų9477.2 Ų77.250%0.50338%0.378SS..Hα-helixtrans-72.2-32.8173.4-89.4-71.7000112.4R216 S236 H237 P242R216-N240 PolarHBondContact NH1-O 3.06Å; R216-N240 PolarHBondContact NH2-O 3.25Å; S236-N240 VanDerWaalsContact O-CB 3.26Å; S236-N240 WeakPolarHBondContact O-CB 3.37Å; S236-N240 PolarHBondContact O-N 2.98Å; S236-N240 PolarHBondContact O-ND2 3.31Å; H237-N240 PolarHBondContact O-N 3.5Å; N240-P242 WeakPolarHBondContact O-CD 3.17Å
241N76.3Confident70.8Confident85 Ų8572.1 Ų72.146%0.45536%0.355SS..  trans-100.897.2-174-165.214000111.7H237 M238 E243 L244 M245H237-N241 VanDerWaalsContact O-CB 3.26Å; H237-N241 WeakPolarHBondContact O-CB 3.23Å; H237-N241 PolarHBondContact O-N 3.33Å; M238-N241 PolarHBondContact O-N 3.42Å; N241-E243 VanDerWaalsContact C-N 3.26Å; N241-E243 PolarHBondContact O-N 2.79Å; N241-L244 HydrophobicContact CB-CB 4.12Å; N241-L244 PolarHBondContact O-N 2.9Å; N241-L244 VanDerWaalsContact O-N 3.08Å; N241-M245 PolarHBondContact O-N 3.49Å
242P71.1Confident70.5Confident48 Ų4867.3 Ų67.331%0.31235%0.347SS..Hα-helixtrans-64.5-28.1-167.528.1-35000113.5P212 N240 R246P212-P242 HydrophobicContact CB-CB 4.16Å; P212-P242 HydrophobicContact CG-CB 4.46Å; N240-P242 WeakPolarHBondContact O-CD 3.17Å; P242-R246 WeakPolarHBondContact O-CB 3.35Å; P242-R246 WeakPolarHBondContact O-CG 3.3Å; P242-R246 PolarHBondContact O-N 2.95Å
243E79.1Confident71.1Confident120 Ų12072.2 Ų72.256%0.56137%0.365SS*.Hα-helixtrans-72.8-37.5175.7-73.6-64.1110.100112.3N241 R246 Q247N241-E243 VanDerWaalsContact C-N 3.26Å; N241-E243 PolarHBondContact O-N 2.79Å; E243-R246 PolarHBondContact O-N 2.82Å; E243-R246 IonicContact OE1-NH1 2.71Å; E243-R246 PolarHBondContact OE1-NH1 3.11Å; E243-Q247 VanDerWaalsContact O-CB 3.3Å; E243-Q247 WeakPolarHBondContact O-CB 3.07Å; E243-Q247 PolarHBondContact O-N 3.38Å
244L77.2Confident70.4Confident64 Ų6471.7 Ų71.734%0.33536%0.357SS..Hα-helixtrans-68.5-40.7172.6179.161.3000110.4M238 N241 R246 Q247 T248M238-L244 HydrophobicContact CB-CD2 4.32Å; M238-L244 HydrophobicContact CG-CD2 4.32Å; M238-L244 HydrophobicContact CG-CG 4.1Å; N241-L244 HydrophobicContact CB-CB 4.12Å; N241-L244 PolarHBondContact O-N 2.9Å; N241-L244 VanDerWaalsContact O-N 3.08Å; L244-R246 PolarHBondContact O-N 3.3Å; L244-Q247 PolarHBondContact O-N 2.76Å; L244-T248 WeakPolarHBondContact O-CB 3.47Å; L244-T248 PolarHBondContact O-N 3.38Å; L244-T248 PolarHBondContact O-OG1 2.92Å
245M66.8Low70.4Confident7 Ų770.1 Ų70.13%0.03436%0.357CS..Hα-helixtrans-59.4-46.3173.4-164.6-177.1-176.900111.7M215 R216 I219 M238 L239 N241 T248 M249M215-M245 HydrophobicContact CB-CE 3.95Å; M215-M245 HydrophobicContact CE-CE 4.19Å; M215-M245 HydrophobicContact CG-CE 3.53Å; M215-M245 HydrophobicContact SD-CE 3.39Å; M215-M245 WeakPolarHBondContact SD-CE 3.36Å; M215-M245 HydrophobicContact SD-SD 4.41Å; R216-M245 HydrophobicContact CG-SD 4.32Å; I219-M245 HydrophobicContact CD1-CE 3.27Å; M238-M245 HydrophobicContact CE-CG 4.32Å; L239-M245 HydrophobicContact CD2-CE 3.7Å; L239-M245 HydrophobicContact CD2-SD 4.06Å; N241-M245 PolarHBondContact O-N 3.49Å; M245-T248 PolarHBondContact O-N 2.97Å; M245-M249 VanDerWaalsContact O-CB 3.28Å; M245-M249 WeakPolarHBondContact O-CB 3.38Å; M245-M249 PolarHBondContact O-N 3.22Å
246R71.6Confident70.6Confident117 Ų11771.6 Ų71.644%0.44237%0.373SS..Hα-helixtrans-58.8-49.4173.1-85.7178.5156.7-179-6.3111.6S210 P242 E243 L244 T248 M249 E250S210-R246 PolarHBondContact O-NH2 2.93Å; P242-R246 WeakPolarHBondContact O-CB 3.35Å; P242-R246 WeakPolarHBondContact O-CG 3.3Å; P242-R246 PolarHBondContact O-N 2.95Å; E243-R246 PolarHBondContact O-N 2.82Å; E243-R246 IonicContact OE1-NH1 2.71Å; E243-R246 PolarHBondContact OE1-NH1 3.11Å; L244-R246 PolarHBondContact O-N 3.3Å; R246-T248 VanDerWaalsContact C-N 3.34Å; R246-T248 PolarHBondContact O-N 2.81Å; R246-M249 CarbonylContact O-C 3.54Å; R246-M249 PolarHBondContact O-N 2.91Å; R246-M249 VanDerWaalsContact O-N 3.14Å; R246-E250 WeakPolarHBondContact O-CA 3.45Å; R246-E250 WeakPolarHBondContact O-CB 3.31Å; R246-E250 PolarHBondContact O-N 3.45Å
247Q72Confident70.4Confident113 Ų11373.6 Ų73.653%0.52838%0.379SS..Hα-helixtrans-58.8-43178.4-174179.221.900112.2E243 L244 L251E243-Q247 VanDerWaalsContact O-CB 3.3Å; E243-Q247 WeakPolarHBondContact O-CB 3.07Å; E243-Q247 PolarHBondContact O-N 3.38Å; L244-Q247 PolarHBondContact O-N 2.76Å; Q247-L251 VanDerWaalsContact O-CB 3.3Å; Q247-L251 WeakPolarHBondContact O-CB 3.35Å; Q247-L251 PolarHBondContact O-N 3.18Å
248T68.4Low69.6Low56 Ų5672.5 Ų72.534%0.34438%0.376SS..Hα-helixtrans-67.2-39.9175.5-55.90000111.6M238 L244 M245 R246 A252M238-T248 HydrophobicContact SD-CG2 3.88Å; L244-T248 WeakPolarHBondContact O-CB 3.47Å; L244-T248 PolarHBondContact O-N 3.38Å; L244-T248 PolarHBondContact O-OG1 2.92Å; M245-T248 PolarHBondContact O-N 2.97Å; R246-T248 VanDerWaalsContact C-N 3.34Å; R246-T248 PolarHBondContact O-N 2.81Å; T248-A252 WeakPolarHBondContact O-CB 3.49Å; T248-A252 PolarHBondContact O-N 3.3Å
249M65.1Low69.9Low51 Ų5176.2 Ų76.225%0.25139%0.393SS..Hα-helixtrans-75.6-26.8179-147.672.4-165.500113M200 M209 M215 M245 R246 A252 R253M200-M249 HydrophobicContact SD-CE 4.21Å; M209-M249 HydrophobicContact CE-CE 3.54Å; M209-M249 HydrophobicContact CE-CG 3.65Å; M209-M249 HydrophobicContact CE-SD 4.44Å; M209-M249 HydrophobicContact CG-CE 4.19Å; M209-M249 HydrophobicContact SD-CE 3.86Å; M215-M249 HydrophobicContact CE-CE 3.51Å; M215-M249 HydrophobicContact CE-CG 3.8Å; M215-M249 HydrophobicContact CE-SD 3.4Å; M215-M249 WeakPolarHBondContact CE-SD 3.42Å; M215-M249 HydrophobicContact SD-CG 4.42Å; M245-M249 VanDerWaalsContact O-CB 3.28Å; M245-M249 WeakPolarHBondContact O-CB 3.38Å; M245-M249 PolarHBondContact O-N 3.22Å; R246-M249 CarbonylContact O-C 3.54Å; R246-M249 PolarHBondContact O-N 2.91Å; R246-M249 VanDerWaalsContact O-N 3.14Å; M249-A252 PolarHBondContact O-N 2.87Å; M249-R253 WeakPolarHBondContact O-CB 3.19Å; M249-R253 PolarHBondContact O-N 2.93Å
250E69.9Low69.7Low117 Ų11781.9 Ų81.955%0.54742%0.419SS..Hα-helixtrans-76-37.4173.6-173.4170.3-179.200110.6R246 A252 R253 N254R246-E250 WeakPolarHBondContact O-CA 3.45Å; R246-E250 WeakPolarHBondContact O-CB 3.31Å; R246-E250 PolarHBondContact O-N 3.45Å; E250-A252 VanDerWaalsContact C-N 3.35Å; E250-R253 PolarHBondContact O-N 3.45Å; E250-N254 WeakPolarHBondContact O-CB 3.5Å; E250-N254 PolarHBondContact O-N 3.1Å
251L67.9Low69.1Low40 Ų4082.1 Ų82.121%0.20942%0.418CS..Hα-helixtrans-62.3-40.5167.2-172.568.2000111.7Q247 N254 M257 M258 M261Q247-L251 VanDerWaalsContact O-CB 3.3Å; Q247-L251 WeakPolarHBondContact O-CB 3.35Å; Q247-L251 PolarHBondContact O-N 3.18Å; L251-N254 CarbonylContact O-C 3.57Å; L251-N254 VanDerWaalsContact O-O 3.13Å; L251-M257 HydrophobicContact CD1-CB 4.42Å; L251-M257 HydrophobicContact CD1-CE 4.34Å; L251-M257 HydrophobicContact CD1-CG 3.86Å; L251-M257 HydrophobicContact CD1-SD 4.25Å; L251-M258 HydrophobicContact CD1-CB 3.99Å; L251-M258 HydrophobicContact CD1-CG 4.44Å; L251-M258 HydrophobicContact CG-CB 4.2Å; L251-M258 HydrophobicContact CG-CG 4.39Å; L251-M261 HydrophobicContact CD1-CB 4.33Å; L251-M261 HydrophobicContact CD1-SD 3.91Å; L251-M261 HydrophobicContact CD2-SD 3.96Å
252A61.7Low68Low49 Ų4984.5 Ų84.541%0.40543%0.428SS..Hα-helixtrans-70-39.6174.900000112.8T248 M249 E250 N254T248-A252 WeakPolarHBondContact O-CB 3.49Å; T248-A252 PolarHBondContact O-N 3.3Å; M249-A252 PolarHBondContact O-N 2.87Å; E250-A252 VanDerWaalsContact C-N 3.35Å; A252-N254 VanDerWaalsContact C-N 3.35Å
253R65.9Low68.2Low122 Ų12290.9 Ų90.946%0.4645%0.446SS..Hα-helixtrans-74.8-22.7178175.7172.8143.6172.1-8.9113.5M200 Q206 M209 M249 E250 P255M200-R253 VanDerWaalsContact CE-CA 3.45Å; M200-R253 HydrophobicContact CE-CB 3.95Å; Q206-R253 VanDerWaalsContact CD-NH1 3.28Å; M209-R253 HydrophobicContact CE-CB 4.48Å; M249-R253 WeakPolarHBondContact O-CB 3.19Å; M249-R253 PolarHBondContact O-N 2.93Å; E250-R253 PolarHBondContact O-N 3.45Å; R253-P255 VanDerWaalsContact C-CD 3.46Å; R253-P255 WeakPolarHBondContact O-CD 3.43Å
254N62.2Low67.9Low69 Ų6990 Ų9037%0.36945%0.446SS..  trans-111.880.7175.2-167.9-6.7000109.4E250 L251 A252 A256 M257 M258E250-N254 WeakPolarHBondContact O-CB 3.5Å; E250-N254 PolarHBondContact O-N 3.1Å; L251-N254 CarbonylContact O-C 3.57Å; L251-N254 VanDerWaalsContact O-O 3.13Å; A252-N254 VanDerWaalsContact C-N 3.35Å; N254-A256 PolarHBondContact O-N 3.38Å; N254-A256 VanDerWaalsContact O-N 3.11Å; N254-A256 WeakPolarHBondContact OD1-CB 3.26Å; N254-A256 PolarHBondContact OD1-N 2.92Å; N254-M257 HydrophobicContact CB-CB 3.75Å; N254-M257 VanDerWaalsContact CG-CB 3.49Å; N254-M257 WeakPolarHBondContact ND2-CB 3.35Å; N254-M257 CarbonylContact O-C 3.44Å; N254-M257 WeakPolarHBondContact O-CA 3.26Å; N254-M257 WeakPolarHBondContact O-CB 3.18Å; N254-M257 PolarHBondContact O-N 2.79Å; N254-M257 PolarHBondContact OD1-N 2.93Å; N254-M258 PolarHBondContact O-N 3.37Å
255P70.6Confident67Low80 Ų8092.1 Ų92.152%0.51945%0.453SS..Hα-helixtrans-60.1-23.9177.125.8-35.1000111.9R253 M258 Q259R253-P255 VanDerWaalsContact C-CD 3.46Å; R253-P255 WeakPolarHBondContact O-CD 3.43Å; P255-M258 PolarHBondContact O-N 3.18Å; P255-Q259 VanDerWaalsContact O-CB 3.28Å; P255-Q259 WeakPolarHBondContact O-CB 3.14Å; P255-Q259 WeakPolarHBondContact O-CG 3.3Å; P255-Q259 PolarHBondContact O-N 2.98Å
256A72.1Confident67Low56 Ų5696.4 Ų96.446%0.46348%0.477SS..Hα-helixtrans-70.2-35.1170.100000112.2N254 Q259 E260N254-A256 PolarHBondContact O-N 3.38Å; N254-A256 VanDerWaalsContact O-N 3.11Å; N254-A256 WeakPolarHBondContact OD1-CB 3.26Å; N254-A256 PolarHBondContact OD1-N 2.92Å; A256-Q259 CarbonylContact O-C 3.56Å; A256-Q259 PolarHBondContact O-N 3.08Å; A256-E260 WeakPolarHBondContact O-CB 3.41Å; A256-E260 PolarHBondContact O-N 3.35Å
257M66.8Low67Low74 Ų7499.6 Ų99.637%0.36549%0.489SS..Hα-helixtrans-70.1-35.7169.4-178.3-175.9176.100112L251 N254 E260 M261L251-M257 HydrophobicContact CD1-CB 4.42Å; L251-M257 HydrophobicContact CD1-CE 4.34Å; L251-M257 HydrophobicContact CD1-CG 3.86Å; L251-M257 HydrophobicContact CD1-SD 4.25Å; N254-M257 HydrophobicContact CB-CB 3.75Å; N254-M257 VanDerWaalsContact CG-CB 3.49Å; N254-M257 WeakPolarHBondContact ND2-CB 3.35Å; N254-M257 CarbonylContact O-C 3.44Å; N254-M257 WeakPolarHBondContact O-CA 3.26Å; N254-M257 WeakPolarHBondContact O-CB 3.18Å; N254-M257 PolarHBondContact O-N 2.79Å; N254-M257 PolarHBondContact OD1-N 2.93Å; M257-E260 PolarHBondContact O-N 2.74Å; M257-M261 WeakPolarHBondContact O-CA 3.16Å; M257-M261 WeakPolarHBondContact O-CB 2.93Å; M257-M261 PolarHBondContact O-N 2.76Å
258M60.9Low66.4Low110 Ų11096.2 Ų96.254%0.54248%0.48SS..Hα-helixtrans-68.1-37.1172.3-168.8179.1179.200111.3L251 N254 P255 M262L251-M258 HydrophobicContact CD1-CB 3.99Å; L251-M258 HydrophobicContact CD1-CG 4.44Å; L251-M258 HydrophobicContact CG-CB 4.2Å; L251-M258 HydrophobicContact CG-CG 4.39Å; N254-M258 PolarHBondContact O-N 3.37Å; P255-M258 PolarHBondContact O-N 3.18Å; M258-M262 WeakPolarHBondContact O-CB 2.88Å; M258-M262 PolarHBondContact O-N 2.82Å
259Q72.1Confident65.6Low124 Ų12495.5 Ų95.558%0.57947%0.474SS*.Hα-helixtrans-71.8-33.3172.5-74.4171.10.700112.8P255 A256 M262 R263P255-Q259 VanDerWaalsContact O-CB 3.28Å; P255-Q259 WeakPolarHBondContact O-CB 3.14Å; P255-Q259 WeakPolarHBondContact O-CG 3.3Å; P255-Q259 PolarHBondContact O-N 2.98Å; A256-Q259 CarbonylContact O-C 3.56Å; A256-Q259 PolarHBondContact O-N 3.08Å; Q259-M262 CarbonylContact O-C 3.28Å; Q259-M262 PolarHBondContact O-N 2.84Å; Q259-R263 WeakPolarHBondContact O-CB 3.41Å; Q259-R263 WeakPolarHBondContact O-CD 3.34Å; Q259-R263 WeakPolarHBondContact O-CG 3.15Å; Q259-R263 PolarHBondContact O-N 3.43Å
260E68.3Low65.3Low124 Ų12496.9 Ų96.958%0.57949%0.488SS*.Hα-helixtrans-73.7-39.9174.1-163.771.9-135.800109.7A256 M257 M262 R263 N264A256-E260 WeakPolarHBondContact O-CB 3.41Å; A256-E260 PolarHBondContact O-N 3.35Å; M257-E260 PolarHBondContact O-N 2.74Å; E260-M262 VanDerWaalsContact C-N 3.34Å; E260-R263 PolarHBondContact O-N 2.7Å; E260-N264 WeakPolarHBondContact O-CA 3.47Å; E260-N264 WeakPolarHBondContact O-CB 3.39Å; E260-N264 PolarHBondContact O-N 3.09Å
261M64.7Low64.8Low99 Ų9996.5 Ų96.549%0.48849%0.49SS..Hα-helixtrans-63.7-42.2170.6-170.7178.1-146.700110L251 M257 Q265L251-M261 HydrophobicContact CD1-CB 4.33Å; L251-M261 HydrophobicContact CD1-SD 3.91Å; L251-M261 HydrophobicContact CD2-SD 3.96Å; M257-M261 WeakPolarHBondContact O-CA 3.16Å; M257-M261 WeakPolarHBondContact O-CB 2.93Å; M257-M261 PolarHBondContact O-N 2.76Å; M261-Q265 WeakPolarHBondContact O-CA 3.3Å; M261-Q265 WeakPolarHBondContact O-CB 2.96Å; M261-Q265 PolarHBondContact O-N 3.32Å
262M54.8Low64.2Low135 Ų13597.7 Ų97.767%0.66550%0.497SS*.Hα-helixtrans-69.8-34.4176-166.9174.3-176.400111.8M258 Q259 E260 D266M258-M262 WeakPolarHBondContact O-CB 2.88Å; M258-M262 PolarHBondContact O-N 2.82Å; Q259-M262 CarbonylContact O-C 3.28Å; Q259-M262 PolarHBondContact O-N 2.84Å; E260-M262 VanDerWaalsContact C-N 3.34Å; M262-D266 WeakPolarHBondContact O-CA 3.19Å; M262-D266 WeakPolarHBondContact O-CB 3.43Å; M262-D266 PolarHBondContact O-N 2.88Å
263R75Confident64Low181 Ų181101.8 Ų101.868%0.68351%0.507SS*.Hα-helixtrans-80.8-29176.3-74.6168.274.899.3-1113.9Q259 E260 R267Q259-R263 WeakPolarHBondContact O-CB 3.41Å; Q259-R263 WeakPolarHBondContact O-CD 3.34Å; Q259-R263 WeakPolarHBondContact O-CG 3.15Å; Q259-R263 PolarHBondContact O-N 3.43Å; E260-R263 PolarHBondContact O-N 2.7Å; R263-R267 WeakPolarHBondContact O-CB 3.33Å; R263-R267 PolarHBondContact O-N 3.02Å
264N72.2Confident63.9Low103 Ų103100.1 Ų100.155%0.55151%0.514SS*.Hα-helixtrans-83.5-39.6176-174.128.6000110E260 A268E260-N264 WeakPolarHBondContact O-CA 3.47Å; E260-N264 WeakPolarHBondContact O-CB 3.39Å; E260-N264 PolarHBondContact O-N 3.09Å; N264-A268 VanDerWaalsContact O-CB 3.3Å; N264-A268 WeakPolarHBondContact O-CB 3.43Å; N264-A268 PolarHBondContact O-N 3.32Å
265Q57.6Low63.7Low107 Ų107101.3 Ų101.350%0.552%0.52SS..Hα-helixtrans-59.2-53.9163.2-168.5176.210900108.4M261 R267 A268 L269M261-Q265 WeakPolarHBondContact O-CA 3.3Å; M261-Q265 WeakPolarHBondContact O-CB 2.96Å; M261-Q265 PolarHBondContact O-N 3.32Å; Q265-R267 VanDerWaalsContact C-N 3.34Å; Q265-R267 PolarHBondContact O-N 3.23Å; Q265-A268 CarbonylContact O-C 3.58Å; Q265-A268 VanDerWaalsContact O-C 3.25Å; Q265-A268 VanDerWaalsContact O-CA 3.23Å; Q265-A268 WeakPolarHBondContact O-CA 3.41Å; Q265-A268 VanDerWaalsContact O-CB 3.28Å; Q265-A268 WeakPolarHBondContact O-CB 3.42Å; Q265-A268 PolarHBondContact O-N 3.13Å; Q265-L269 HydrophobicContact CG-CD2 3.84Å; Q265-L269 HydrophobicContact CG-CG 4.17Å; Q265-L269 WeakPolarHBondContact O-CG 3.11Å; Q265-L269 PolarHBondContact O-N 3.42Å
266D66.6Low62.3Low98 Ų98103.8 Ų103.852%0.52454%0.536SS..Hα-helixtrans-58.3-37.4177.5-176-101.7000113.6M262 A268 L269 S270M262-D266 WeakPolarHBondContact O-CA 3.19Å; M262-D266 WeakPolarHBondContact O-CB 3.43Å; M262-D266 PolarHBondContact O-N 2.88Å; D266-A268 VanDerWaalsContact C-N 3.35Å; D266-A268 PolarHBondContact O-N 3.09Å; D266-L269 CarbonylContact O-C 3.6Å; D266-L269 WeakPolarHBondContact O-CA 3.36Å; D266-L269 WeakPolarHBondContact O-CB 3.45Å; D266-L269 PolarHBondContact O-N 2.78Å; D266-L269 VanDerWaalsContact O-N 3.12Å; D266-S270 WeakPolarHBondContact O-CB 3.27Å; D266-S270 PolarHBondContact O-N 3.15Å
267R73Confident61.6Low184 Ų184103.4 Ų103.469%0.69454%0.537SS*.Hα-helixtrans-64.7-38.4169.5-179.6179-76.2-123.80.1111.9R263 Q265 N271R263-R267 WeakPolarHBondContact O-CB 3.33Å; R263-R267 PolarHBondContact O-N 3.02Å; Q265-R267 VanDerWaalsContact C-N 3.34Å; Q265-R267 PolarHBondContact O-N 3.23Å; R267-N271 PolarHBondContact O-N 2.9Å; R267-N271 VanDerWaalsContact O-N 3.07Å
268A57.8Low61.2Low42 Ų42100.1 Ų100.135%0.34752%0.522SS..Hα-helixtrans-71.6-28.4170.200000112.5N264 Q265 D266 N271 L272N264-A268 VanDerWaalsContact O-CB 3.3Å; N264-A268 WeakPolarHBondContact O-CB 3.43Å; N264-A268 PolarHBondContact O-N 3.32Å; Q265-A268 CarbonylContact O-C 3.58Å; Q265-A268 VanDerWaalsContact O-C 3.25Å; Q265-A268 VanDerWaalsContact O-CA 3.23Å; Q265-A268 WeakPolarHBondContact O-CA 3.41Å; Q265-A268 VanDerWaalsContact O-CB 3.28Å; Q265-A268 WeakPolarHBondContact O-CB 3.42Å; Q265-A268 PolarHBondContact O-N 3.13Å; D266-A268 VanDerWaalsContact C-N 3.35Å; D266-A268 PolarHBondContact O-N 3.09Å; A268-N271 CarbonylContact O-C 3.53Å; A268-N271 PolarHBondContact O-N 3.16Å; A268-L272 WeakPolarHBondContact O-CB 3.28Å; A268-L272 WeakPolarHBondContact O-CD1 3.46Å; A268-L272 WeakPolarHBondContact O-CG 3.48Å; A268-L272 PolarHBondContact O-N 3.43Å
269L52Low61Low41 Ų41101.1 Ų101.122%0.21552%0.521CS..Hα-helixtrans-71-41.3174.4-57.8-165.5000109.1Q265 D266 N271 L272 E273 L282Q265-L269 HydrophobicContact CG-CD2 3.84Å; Q265-L269 HydrophobicContact CG-CG 4.17Å; Q265-L269 WeakPolarHBondContact O-CG 3.11Å; Q265-L269 PolarHBondContact O-N 3.42Å; D266-L269 CarbonylContact O-C 3.6Å; D266-L269 WeakPolarHBondContact O-CA 3.36Å; D266-L269 WeakPolarHBondContact O-CB 3.45Å; D266-L269 PolarHBondContact O-N 2.78Å; D266-L269 VanDerWaalsContact O-N 3.12Å; L269-N271 VanDerWaalsContact C-N 3.35Å; L269-L272 CarbonylContact O-C 3.25Å; L269-L272 WeakPolarHBondContact O-CA 3.25Å; L269-L272 PolarHBondContact O-N 3.5Å; L269-E273 WeakPolarHBondContact O-CB 3.3Å; L269-E273 PolarHBondContact O-N 3.16Å; L269-L282 HydrophobicContact CB-CD2 4.17Å; L269-L282 HydrophobicContact CD1-CD2 3.69Å; L269-L282 HydrophobicContact CD1-CG 4.37Å; L269-L282 HydrophobicContact CD2-CD1 3.88Å; L269-L282 HydrophobicContact CD2-CD2 3.79Å; L269-L282 HydrophobicContact CD2-CG 3.65Å; L269-L282 HydrophobicContact CG-CD2 4.03Å; L269-L282 HydrophobicContact CG-CG 4.44Å
270S59.7Low60.3Low79 Ų79100 Ų10055%0.55252%0.519SS*.Hα-helixtrans-64-39.2172.7-169.70000111.6D266 L272 S274D266-S270 WeakPolarHBondContact O-CB 3.27Å; D266-S270 PolarHBondContact O-N 3.15Å; S270-L272 VanDerWaalsContact C-N 3.32Å; S270-L272 PolarHBondContact O-N 2.95Å; S270-S274 PolarHBondContact O-N 3.25Å; S270-S274 PolarHBondContact O-OG 3.36Å
271N58.8Low60.1Low110 Ų11096.6 Ų96.659%0.58851%0.512SS*.Hα-helixtrans-71.8-17.4169.2-88-17.2000114.3R267 A268 L269 S274 I275R267-N271 PolarHBondContact O-N 2.9Å; R267-N271 VanDerWaalsContact O-N 3.07Å; A268-N271 CarbonylContact O-C 3.53Å; A268-N271 PolarHBondContact O-N 3.16Å; L269-N271 VanDerWaalsContact C-N 3.35Å; N271-S274 WeakPolarHBondContact CA-OG 3.13Å; N271-S274 PolarHBondContact O-OG 3.36Å; N271-I275 WeakPolarHBondContact O-CD1 3.12Å; N271-I275 VanDerWaalsContact O-CG1 3.31Å; N271-I275 WeakPolarHBondContact O-CG1 3.48Å
272L54.8Low59.7Low65 Ų6593.7 Ų93.734%0.3450%0.498SS..Hα-helixtrans-100.1-22177-81.4163000113A268 L269 S270 I275 G278 L282A268-L272 WeakPolarHBondContact O-CB 3.28Å; A268-L272 WeakPolarHBondContact O-CD1 3.46Å; A268-L272 WeakPolarHBondContact O-CG 3.48Å; A268-L272 PolarHBondContact O-N 3.43Å; L269-L272 CarbonylContact O-C 3.25Å; L269-L272 WeakPolarHBondContact O-CA 3.25Å; L269-L272 PolarHBondContact O-N 3.5Å; S270-L272 VanDerWaalsContact C-N 3.32Å; S270-L272 PolarHBondContact O-N 2.95Å; L272-I275 HydrophobicContact CD2-CD1 4.24Å; L272-I275 PolarHBondContact O-N 2.93Å; L272-G278 WeakPolarHBondContact O-CA 3.11Å; L272-L282 HydrophobicContact CB-CD1 4.33Å
273E57.5Low59.5Low135 Ų13594.4 Ų94.463%0.63149%0.493SS*.Hα-helixtrans-79.7-29.2175.2-171.7171.9109.800110.4L269 I275L269-E273 WeakPolarHBondContact O-CB 3.3Å; L269-E273 PolarHBondContact O-N 3.16Å; E273-I275 PolarHBondContact O-N 3.26Å
274S64.9Low58.6Low87 Ų8794.1 Ų94.161%0.60849%0.492SS*.SBendtrans-71-10.2163.149.40000113.7S270 N271S270-S274 PolarHBondContact O-N 3.25Å; S270-S274 PolarHBondContact O-OG 3.36Å; N271-S274 WeakPolarHBondContact CA-OG 3.13Å; N271-S274 PolarHBondContact O-OG 3.36Å
275I57.4Low57.6Low93 Ų9395.2 Ų95.248%0.47750%0.496SS..SBendtrans-99.7119.2174-65.2170.6000109.6N271 L272 E273 G277 G278N271-I275 WeakPolarHBondContact O-CD1 3.12Å; N271-I275 VanDerWaalsContact O-CG1 3.31Å; N271-I275 WeakPolarHBondContact O-CG1 3.48Å; L272-I275 HydrophobicContact CD2-CD1 4.24Å; L272-I275 PolarHBondContact O-N 2.93Å; E273-I275 PolarHBondContact O-N 3.26Å; I275-G277 PolarHBondContact O-N 3.01Å; I275-G278 PolarHBondContact O-N 3.22Å
276P41.5Very low57.1Low132 Ų13296.6 Ų96.686%0.85750%0.497SS*.THydrogen-bonded Turntrans-61.8109.4-178.824.4-33.3000111
277G57.2Low56.5Low48 Ų4895.3 Ų95.350%0.49549%0.493SS..THydrogen-bonded Turntrans118-15.1-178.700000115.1I275 Y279 N280I275-G277 PolarHBondContact O-N 3.01Å; G277-Y279 PolarHBondContact O-N 2.97Å; G277-Y279 VanDerWaalsContact O-N 3.15Å; G277-N280 PolarHBondContact O-N 3.4Å
278G58.4Low55.4Low5 Ų591.8 Ų91.85%0.05249%0.488CS..Hα-helixtrans-55.7-35.6-178.800000113.5L272 I275 N280 A281 L282L272-G278 WeakPolarHBondContact O-CA 3.11Å; I275-G278 PolarHBondContact O-N 3.22Å; G278-N280 PolarHBondContact O-N 3.29Å; G278-A281 WeakPolarHBondContact O-CA 3.46Å; G278-A281 WeakPolarHBondContact O-CB 3.39Å; G278-A281 PolarHBondContact O-N 3.49Å; G278-L282 WeakPolarHBondContact O-CD1 3.16Å; G278-L282 PolarHBondContact O-N 2.86Å
279Y56.3Low55.1Low132 Ų13294.7 Ų94.752%0.51850%0.497SS..Hα-helixtrans-56-25.7176.3-147.6-93.5000114.3G277 R283G277-Y279 PolarHBondContact O-N 2.97Å; G277-Y279 VanDerWaalsContact O-N 3.15Å; Y279-R283 HydrophobicContact CD1-CG 4.41Å; Y279-R283 WeakPolarHBondContact O-CB 3.36Å; Y279-R283 VanDerWaalsContact O-CG 3.32Å; Y279-R283 WeakPolarHBondContact O-CG 3.11Å; Y279-R283 PolarHBondContact O-N 2.85Å; Y279-R283 VanDerWaalsContact O-N 3.09Å
280N58.4Low54.9Low100 Ų10097.2 Ų97.254%0.53551%0.508SS..Hα-helixtrans-80.8-26.1172.6-79.1-76.3000113.2G277 G278 R284G277-N280 PolarHBondContact O-N 3.4Å; G278-N280 PolarHBondContact O-N 3.29Å; N280-R284 PolarHBondContact O-N 3.14Å; N280-R284 VanDerWaalsContact O-N 3.09Å
281A62.8Low54.3Low52 Ų5298 Ų9843%0.4350%0.502SS..Hα-helixtrans-75.7-40.5172.200000111.1G278 R284 M285G278-A281 WeakPolarHBondContact O-CA 3.46Å; G278-A281 WeakPolarHBondContact O-CB 3.39Å; G278-A281 PolarHBondContact O-N 3.49Å; A281-R284 PolarHBondContact O-N 2.97Å; A281-M285 PolarHBondContact O-N 2.99Å
282L56.3Low53.5Low38 Ų3894.7 Ų94.720%0.19949%0.487CS..Hα-helixtrans-59.5-49170.6-82.675.1000111.2L269 L272 G278 R284 M285 Y286L269-L282 HydrophobicContact CB-CD2 4.17Å; L269-L282 HydrophobicContact CD1-CD2 3.69Å; L269-L282 HydrophobicContact CD1-CG 4.37Å; L269-L282 HydrophobicContact CD2-CD1 3.88Å; L269-L282 HydrophobicContact CD2-CD2 3.79Å; L269-L282 HydrophobicContact CD2-CG 3.65Å; L269-L282 HydrophobicContact CG-CD2 4.03Å; L269-L282 HydrophobicContact CG-CG 4.44Å; L272-L282 HydrophobicContact CB-CD1 4.33Å; G278-L282 WeakPolarHBondContact O-CD1 3.16Å; G278-L282 PolarHBondContact O-N 2.86Å; L282-R284 VanDerWaalsContact C-N 3.3Å; L282-R284 PolarHBondContact O-N 3.39Å; L282-M285 PolarHBondContact O-N 2.73Å; L282-M285 VanDerWaalsContact O-N 3.15Å; L282-Y286 WeakPolarHBondContact O-CB 3.5Å; L282-Y286 PolarHBondContact O-N 3.34Å
283R52.2Low53.3Low150 Ų15098 Ų9857%0.56650%0.503SS*.Hα-helixtrans-59.5-39.4176.1-79.8-179.4174.6-176.40.4112.1Y279 Y286 T287Y279-R283 HydrophobicContact CD1-CG 4.41Å; Y279-R283 WeakPolarHBondContact O-CB 3.36Å; Y279-R283 VanDerWaalsContact O-CG 3.32Å; Y279-R283 WeakPolarHBondContact O-CG 3.11Å; Y279-R283 PolarHBondContact O-N 2.85Å; Y279-R283 VanDerWaalsContact O-N 3.09Å; R283-Y286 PolarHBondContact O-N 2.86Å; R283-T287 WeakPolarHBondContact O-CB 3.25Å; R283-T287 PolarHBondContact O-N 2.91Å; R283-T287 PolarHBondContact O-OG1 2.69Å; R283-T287 VanDerWaalsContact O-OG1 3.07Å
284R54.4Low53Low175 Ų17598.6 Ų98.666%0.6650%0.503SS*.Hα-helixtrans-63-45.1171.7-85.1-172.1171.3102.4-1.4113.1N280 A281 L282 Y286 T287 D288N280-R284 PolarHBondContact O-N 3.14Å; N280-R284 VanDerWaalsContact O-N 3.09Å; A281-R284 PolarHBondContact O-N 2.97Å; L282-R284 VanDerWaalsContact C-N 3.3Å; L282-R284 PolarHBondContact O-N 3.39Å; R284-Y286 VanDerWaalsContact C-N 3.3Å; R284-Y286 PolarHBondContact O-N 2.76Å; R284-T287 PolarHBondContact O-N 3.49Å; R284-D288 VanDerWaalsContact O-CB 3.31Å; R284-D288 WeakPolarHBondContact O-CB 3.27Å; R284-D288 PolarHBondContact O-N 2.72Å
285M52Low52.4Low127 Ų12797.1 Ų97.163%0.62649%0.493SS*.Hα-helixtrans-62.1-38.8176.1-72.8-66.6-172.300112.4A281 L282 I289A281-M285 PolarHBondContact O-N 2.99Å; L282-M285 PolarHBondContact O-N 2.73Å; L282-M285 VanDerWaalsContact O-N 3.15Å; M285-I289 WeakPolarHBondContact O-CB 3.41Å; M285-I289 PolarHBondContact O-N 3.43Å; M285-I289 HydrophobicContact SD-CD1 3.66Å
286Y46Very low52Low136 Ų13693.1 Ų93.153%0.53347%0.474SS..Iπ-helixtrans-66.7-40.9174.8-156.1-91.2000111.7L282 R283 R284 Q290 E291L282-Y286 WeakPolarHBondContact O-CB 3.5Å; L282-Y286 PolarHBondContact O-N 3.34Å; R283-Y286 PolarHBondContact O-N 2.86Å; R284-Y286 VanDerWaalsContact C-N 3.3Å; R284-Y286 PolarHBondContact O-N 2.76Å; Y286-Q290 VanDerWaalsContact CD2-OE1 3.25Å; Y286-Q290 VanDerWaalsContact CE2-CD 3.48Å; Y286-Q290 HydrophobicContact CE2-CG 4.49Å; Y286-Q290 WeakPolarHBondContact O-CA 3.12Å; Y286-Q290 WeakPolarHBondContact O-CB 3.31Å; Y286-Q290 PolarHBondContact O-N 2.72Å; Y286-E291 PolarHBondContact O-N 3.33Å
287T54.8Low52.2Low71 Ų7189 Ų8944%0.43645%0.451SS..Iπ-helixtrans-83-34-175.2-66.30000114.4R283 R284 E291R283-T287 WeakPolarHBondContact O-CB 3.25Å; R283-T287 PolarHBondContact O-N 2.91Å; R283-T287 PolarHBondContact O-OG1 2.69Å; R283-T287 VanDerWaalsContact O-OG1 3.07Å; R284-T287 PolarHBondContact O-N 3.49Å; T287-E291 VanDerWaalsContact CA-OE2 3.28Å; T287-E291 WeakPolarHBondContact CA-OE2 3.18Å; T287-E291 VanDerWaalsContact CB-OE2 3.29Å; T287-E291 WeakPolarHBondContact CB-OE2 3.39Å; T287-E291 WeakPolarHBondContact CG2-OE2 3.37Å; T287-E291 VanDerWaalsContact O-CB 3.29Å; T287-E291 WeakPolarHBondContact O-CB 3.37Å; T287-E291 PolarHBondContact OG1-OE2 2.95Å
288D50.5Low52Low109 Ų10995.7 Ų95.758%0.58346%0.461SS*.Iπ-helixtrans-81.4-34.4177-82.8-100.3000112.5R284 P292R284-D288 VanDerWaalsContact O-CB 3.31Å; R284-D288 WeakPolarHBondContact O-CB 3.27Å; R284-D288 PolarHBondContact O-N 2.72Å; D288-P292 WeakPolarHBondContact O-CD 3.28Å; D288-P292 VanDerWaalsContact O-CG 3.31Å; D288-P292 WeakPolarHBondContact O-CG 3.08Å
289I51.8Low51.8Low103 Ų103100.7 Ų100.753%0.52848%0.483SS..Iπ-helixtrans-111.5-42.1-169.4-55.9174.4000113M285 P292M285-I289 WeakPolarHBondContact O-CB 3.41Å; M285-I289 PolarHBondContact O-N 3.43Å; M285-I289 HydrophobicContact SD-CD1 3.66Å; I289-P292 WeakPolarHBondContact O-CG 3.19Å
290Q47.7Very low51.3Low95 Ų9598.5 Ų98.544%0.44448%0.478SS..Iπ-helixtrans-89.7-36.2-175.7-173.1169.2-8.700112.5Y286 M293 F294Y286-Q290 VanDerWaalsContact CD2-OE1 3.25Å; Y286-Q290 VanDerWaalsContact CE2-CD 3.48Å; Y286-Q290 HydrophobicContact CE2-CG 4.49Å; Y286-Q290 WeakPolarHBondContact O-CA 3.12Å; Y286-Q290 WeakPolarHBondContact O-CB 3.31Å; Y286-Q290 PolarHBondContact O-N 2.72Å; Q290-M293 PolarHBondContact O-N 2.87Å; Q290-F294 PolarHBondContact O-N 3.49Å
291E45.7Very low50.8Low94 Ų9498.4 Ų98.444%0.43947%0.473SS..Hα-helixtrans-63.3-38.3177.6-135.5166.9129.500114.8Y286 T287 M293 F294 S295Y286-E291 PolarHBondContact O-N 3.33Å; T287-E291 VanDerWaalsContact CA-OE2 3.28Å; T287-E291 WeakPolarHBondContact CA-OE2 3.18Å; T287-E291 VanDerWaalsContact CB-OE2 3.29Å; T287-E291 WeakPolarHBondContact CB-OE2 3.39Å; T287-E291 WeakPolarHBondContact CG2-OE2 3.37Å; T287-E291 VanDerWaalsContact O-CB 3.29Å; T287-E291 WeakPolarHBondContact O-CB 3.37Å; T287-E291 PolarHBondContact OG1-OE2 2.95Å; E291-M293 VanDerWaalsContact C-N 3.3Å; E291-M293 PolarHBondContact O-N 3.45Å; E291-F294 PolarHBondContact O-N 3.32Å; E291-S295 WeakPolarHBondContact O-CA 3.24Å; E291-S295 WeakPolarHBondContact O-CB 3.49Å; E291-S295 PolarHBondContact O-N 3.45Å
292P43.3Very low49.7Very low42 Ų4298.1 Ų98.127%0.27348%0.475SS..Hα-helixtrans-64.4-32.2173.524.3-34.8000113.1D288 I289 A296D288-P292 WeakPolarHBondContact O-CD 3.28Å; D288-P292 VanDerWaalsContact O-CG 3.31Å; D288-P292 WeakPolarHBondContact O-CG 3.08Å; I289-P292 WeakPolarHBondContact O-CG 3.19Å; P292-A296 WeakPolarHBondContact O-CB 3.4Å; P292-A296 PolarHBondContact O-N 2.94Å; P292-A296 VanDerWaalsContact O-N 3.16Å
293M50Low49.2Very low135 Ų135103.3 Ų103.367%0.66550%0.503SS*.Hα-helixtrans-74.4-44.4174.7-163.7-163-68.900111.5Q290 E291 A297Q290-M293 PolarHBondContact O-N 2.87Å; E291-M293 VanDerWaalsContact C-N 3.3Å; E291-M293 PolarHBondContact O-N 3.45Å; M293-A297 WeakPolarHBondContact O-CB 3.37Å; M293-A297 PolarHBondContact O-N 3.22Å
294F51.2Low48.8Very low147 Ų147101.3 Ų101.365%0.64550%0.503SS*.Hα-helixtrans-74.5-32-177.7-156-97.7000112.8Q290 E291 R298Q290-F294 PolarHBondContact O-N 3.49Å; E291-F294 PolarHBondContact O-N 3.32Å; F294-R298 WeakPolarHBondContact O-CB 3.43Å; F294-R298 PolarHBondContact O-N 3.23Å
295S53.1Low48.7Very low55 Ų5598.2 Ų98.239%0.38551%0.506SS..Hα-helixtrans-71.1-44.2172.5-162.60000110.9E291 A297 R298 E299E291-S295 WeakPolarHBondContact O-CA 3.24Å; E291-S295 WeakPolarHBondContact O-CB 3.49Å; E291-S295 PolarHBondContact O-N 3.45Å; S295-A297 VanDerWaalsContact C-N 3.31Å; S295-A297 PolarHBondContact O-N 3.07Å; S295-R298 CarbonylContact O-C 3.49Å; S295-R298 PolarHBondContact O-N 2.74Å; S295-R298 VanDerWaalsContact O-N 3.15Å; S295-E299 WeakPolarHBondContact O-CB 3.16Å; S295-E299 WeakPolarHBondContact O-CG 3.31Å; S295-E299 PolarHBondContact O-N 2.76Å
296A48.4Very low48Very low10 Ų10100.2 Ų100.28%0.08351%0.512CS..Hα-helixtrans-58.9-41.9173.100000112.3L228 P292 Q300L228-A296 HydrophobicContact CD1-CB 4.28Å; P292-A296 WeakPolarHBondContact O-CB 3.4Å; P292-A296 PolarHBondContact O-N 2.94Å; P292-A296 VanDerWaalsContact O-N 3.16Å; A296-Q300 PolarHBondContact O-N 3.42Å; A296-Q300 VanDerWaalsContact O-N 3.09Å
297A46Very low47.9Very low46 Ų4697.7 Ų97.738%0.3851%0.514SS..Hα-helixtrans-62.9-46.2173.300000112M293 S295 E299 Q300 F301M293-A297 WeakPolarHBondContact O-CB 3.37Å; M293-A297 PolarHBondContact O-N 3.22Å; S295-A297 VanDerWaalsContact C-N 3.31Å; S295-A297 PolarHBondContact O-N 3.07Å; A297-E299 PolarHBondContact O-N 3.42Å; A297-Q300 PolarHBondContact O-N 3.38Å; A297-F301 WeakPolarHBondContact O-CB 3.06Å; A297-F301 PolarHBondContact O-N 3.44Å
298R52Low47.5Very low188 Ų18899.4 Ų99.471%0.70953%0.529SS*.Hα-helixtrans-70.6-27.5-179.5-177.4175.5166.494.30.2113.6F294 S295 G302F294-R298 WeakPolarHBondContact O-CB 3.43Å; F294-R298 PolarHBondContact O-N 3.23Å; S295-R298 CarbonylContact O-C 3.49Å; S295-R298 PolarHBondContact O-N 2.74Å; S295-R298 VanDerWaalsContact O-N 3.15Å; R298-G302 WeakPolarHBondContact O-CA 3.37Å; R298-G302 PolarHBondContact O-N 3.38Å
299E54.8Low47.5Very low109 Ų109101.5 Ų101.551%0.50954%0.539SS..Hα-helixtrans-78-35.2174-73-173.7149.200112.1R231 S295 A297R231-E299 IonicContact CZ-OE2 2.79Å; R231-E299 IonicContact NH2-OE2 3.49Å; R231-E299 PolarHBondContact NH2-OE2 2.85Å; S295-E299 WeakPolarHBondContact O-CB 3.16Å; S295-E299 WeakPolarHBondContact O-CG 3.31Å; S295-E299 PolarHBondContact O-N 2.76Å; A297-E299 PolarHBondContact O-N 3.42Å
300Q46.8Very low47.5Very low86 Ų86100.4 Ų100.440%0.40255%0.545SS..Hα-helixtrans-80-32.2174.3-70.1-165.7-102.900113.5A296 A297A296-Q300 PolarHBondContact O-N 3.42Å; A296-Q300 VanDerWaalsContact O-N 3.09Å; A297-Q300 PolarHBondContact O-N 3.38Å
301F46.4Very low46.9Very low98 Ų9899 Ų9943%0.4356%0.557SS.*Hα-helixtrans-90.4-6.5173-91-86.2000114.5R187 M190 A297R187-F301 HydrophobicContact CG-CE1 3.79Å; R187-F301 HydrophobicContact CG-CZ 3.89Å; M190-F301 HydrophobicContact SD-CE2 4.16Å; A297-F301 WeakPolarHBondContact O-CB 3.06Å; A297-F301 PolarHBondContact O-N 3.44Å
302G41.1Very low46.9Very low47 Ų47102.6 Ų102.649%0.48558%0.579SS.*  trans-78-20.7-177.900000114.8R298 N304R298-G302 WeakPolarHBondContact O-CA 3.37Å; R298-G302 PolarHBondContact O-N 3.38Å; G302-N304 VanDerWaalsContact C-N 3.29Å; G302-N304 PolarHBondContact O-N 2.89Å
303N44.8Very low46.5Very low147 Ų147106.1 Ų106.179%0.78660%0.604SS**  trans-77.877.7174.5-94.323.1000111P305N303-P305 VanDerWaalsContact O-CD 3.25Å; N303-P305 WeakPolarHBondContact O-CD 3.46Å
304N43.7Very low45.6Very low107 Ų107106.8 Ų106.857%0.57261%0.611SS**  trans-61.2115.1166.6-85.3-32.5000109.9G302 F306 S307G302-N304 VanDerWaalsContact C-N 3.29Å; G302-N304 PolarHBondContact O-N 2.89Å; N304-F306 PolarHBondContact O-N 3.35Å; N304-S307 PolarHBondContact O-N 2.86Å
305P52.6Low44.8Very low110 Ų110104 Ų10471%0.71461%0.61SS**THydrogen-bonded Turntrans-70.5-2.517930.9-36.3000113.2N303 S308N303-P305 VanDerWaalsContact O-CD 3.25Å; N303-P305 WeakPolarHBondContact O-CD 3.46Å; P305-S308 PolarHBondContact O-OG 3.19Å
306F37.3Very low43.8Very low169 Ų169106.1 Ų106.174%0.74162%0.624SS**THydrogen-bonded Turntrans-83.2-20.6170.1-119.2-95.9000113.1N304 S308 L309N304-F306 PolarHBondContact O-N 3.35Å; F306-S308 VanDerWaalsContact C-N 3.31Å; F306-S308 PolarHBondContact O-N 3.33Å; F306-L309 PolarHBondContact O-N 2.81Å
307S43.2Very low43.5Very low83 Ų83111 Ų11158%0.5866%0.658SS**G310 helixtrans-71.9-23.3178.7-72.10000113.1N304 L309 A310N304-S307 PolarHBondContact O-N 2.86Å; S307-L309 PolarHBondContact O-N 3.5Å; S307-A310 PolarHBondContact O-N 3.05Å
308S47.2Very low43Very low107 Ų107114.7 Ų114.775%0.74868%0.681SS**G310 helixtrans-71.5-7.5172.442.70000113.8P305 F306P305-S308 PolarHBondContact O-OG 3.19Å; F306-S308 VanDerWaalsContact C-N 3.31Å; F306-S308 PolarHBondContact O-N 3.33Å
309L51.5Low42.7Very low154 Ų154114.6 Ų114.681%0.80669%0.688SS**G310 helixtrans-101-8.1172.6-138.376.7000113.4F306 S307F306-L309 PolarHBondContact O-N 2.81Å; S307-L309 PolarHBondContact O-N 3.5Å
310A51.6Low42.1Very low79 Ų79115.6 Ų115.665%0.65371%0.705SS**SBendtrans-122.686.3-172.900000111.9S307S307-A310 PolarHBondContact O-N 3.05Å
311G34.8Very low41.8Very low67 Ų67118.7 Ų118.769%0.69172%0.723SS**  trans11273160.500000116.4S313G311-S313 VanDerWaalsContact C-N 3.3Å; G311-S313 PolarHBondContact O-N 3.23Å; G311-S313 VanDerWaalsContact O-N 3.09Å
312N46.1Very low42Very low169 Ų169124.6 Ų124.690%0.90474%0.742SS**  trans-74.485.7154.118095.9000108.9
313S34.5Very low42.4Very low115 Ų115127.8 Ų127.880%0.80475%0.753SS**  trans-146.4138.9174-73.60000112.6G311G311-S313 VanDerWaalsContact C-N 3.3Å; G311-S313 PolarHBondContact O-N 3.23Å; G311-S313 VanDerWaalsContact O-N 3.09Å
314D31.3Very low42.5Very low149 Ų149127.8 Ų127.880%0.79775%0.748SS**  trans-61.6145.4-170-160-103.4000116.9
315S34.1Very low42.5Very low89 Ų89129.1 Ų129.162%0.62276%0.755SS**  trans42152.115276.40000125
316S31.9Very low42.3Very low99 Ų99134.8 Ų134.869%0.69276%0.762SS**  trans85.4103.6150.9-49.40000120.8
317S42.3Very low43Very low113 Ų113134.4 Ų134.479%0.7976%0.763SS**  trans37.3107.114260.80000121.3
318S35.8Very low43.5Very low123 Ų123136.3 Ų136.386%0.8677%0.773SS**  trans-172.9155.4135.631.10000112.5
319Q44.7Very low44.4Very low186 Ų186138.8 Ų138.887%0.86978%0.777SS**PPolyproline II helixtrans-71.3147.6179.2-62.3172.1-60.900112.3L321Q319-L321 PolarHBondContact O-N 2.8Å
320P42.4Very low44.4Very low131 Ų131137.2 Ų137.285%0.85178%0.776SS**PPolyproline II helixtrans-73.8122.5160.930.3-31000110.5
321L41.2Very low44.2Very low151 Ų151138.7 Ų138.779%0.79177%0.773SS**PPolyproline II helixtrans-50.6128.4-177.5-161.668.4000113.7Q319 T323Q319-L321 PolarHBondContact O-N 2.8Å; L321-T323 PolarHBondContact O-N 3.4Å
322R51Low45.2Very low221 Ų221141 Ų14183%0.83478%0.776SS**  trans-70.4105.5157-81.2-174.6172.6-164.70.1108.6
323T48.1Very low45.5Very low114 Ų114144 Ų14470%0.69978%0.775SS**  trans-99.195.1160.1-560000107.9L321 N325L321-T323 PolarHBondContact O-N 3.4Å; T323-N325 PolarHBondContact O-N 3.48Å
324E46.7Very low45.9Very low148 Ų148142.4 Ų142.469%0.69276%0.763SS**  trans-62.9121.1168.3-109.9165.170.300108.8R326E324-R326 PolarHBondContact O-N 2.81Å; E324-R326 VanDerWaalsContact O-N 3.13Å
325N45.2Very low46.6Very low134 Ų134141.3 Ų141.372%0.71777%0.765SS**  trans-67.4111.9176.7-172.111.4000108.8T323T323-N325 PolarHBondContact O-N 3.48Å
326R48.4Very low47.1Very low230 Ų230142.4 Ų142.487%0.86877%0.773SS**  trans-113.39.4-167.6-141.1176.4-177.6179.10.5114E324E324-R326 PolarHBondContact O-N 2.81Å; E324-R326 VanDerWaalsContact O-N 3.13Å
327E51Low47.5Very low161 Ų161143.3 Ų143.375%0.75278%0.776SS**SBendtrans-95.4122.5170.3-74.5172.180.400109.4L329E327-L329 PolarHBondContact O-N 3.44Å
328P53Low47.8Very low123 Ų123143.8 Ų143.880%0.79978%0.776SS**PPolyproline II helixtrans-67.1131.9174.428.4-32.8000109.5
329L67.4Low47.6Very low158 Ų158144.4 Ų144.483%0.82778%0.775SS**PPolyproline II helixtrans-57.4141176.4-70.1117.2000110.7E327 N331E327-L329 PolarHBondContact O-N 3.44Å; L329-N331 PolarHBondContact O-N 3.43Å
330P50.4Low47.3Very low122 Ų122140.8 Ų140.879%0.79277%0.77SS**PPolyproline II helixtrans-63.2130.1179.525.9-33.9000110.8P332P330-P332 WeakPolarHBondContact O-CD 3.31Å
331N48.4Very low46.9Very low109 Ų109143.9 Ų143.958%0.58377%0.773SS**PPolyproline II helixtrans-72.2118.4-179.3-179.50.8000110.5L329 W333 S334L329-N331 PolarHBondContact O-N 3.43Å; N331-W333 PolarHBondContact O-N 2.95Å; N331-W333 VanDerWaalsContact O-N 3.08Å; N331-W333 PolarHBondContact OD1-N 3.14Å; N331-S334 PolarHBondContact O-OG 3.2Å
332P54.7Low46.7Very low116 Ų116141.1 Ų141.175%0.75377%0.772SS**THydrogen-bonded Turntrans-70.1-4.7-174.929.2-36.8000114.7P330P330-P332 WeakPolarHBondContact O-CD 3.31Å
333W52.7Low46.4Very low232 Ų232136.6 Ų136.688%0.87977%0.772SS**THydrogen-bonded Turntrans-107.613-177.3-68.5-3.6000114.8N331N331-W333 PolarHBondContact O-N 2.95Å; N331-W333 VanDerWaalsContact O-N 3.08Å; N331-W333 PolarHBondContact OD1-N 3.14Å
334S43.4Very low45.6Very low81 Ų81134.6 Ų134.657%0.56677%0.774SS**SBendtrans-75.8125.1167.4590000111N331 S336N331-S334 PolarHBondContact O-OG 3.2Å; S334-S336 PolarHBondContact O-N 3.45Å
335P46.4Very low44.8Very low126 Ų126133.8 Ų133.882%0.81879%0.785SS**PPolyproline II helixtrans-70.2125.9175.228.2-33.3000111.2
336S43.9Very low44.2Very low113 Ų113131.3 Ų131.379%0.7979%0.791SS**PPolyproline II helixtrans-69.1135.6-177.2-49.10000113.1S334S334-S336 PolarHBondContact O-N 3.45Å
337P40.4Very low43.3Very low117 Ų117123.8 Ų123.876%0.7679%0.785SS**PPolyproline II helixtrans-79.6152.316733.1-33.6000111.7
338P48Very low42.2Very low123 Ų123126 Ų12680%0.79980%0.795SS**PPolyproline II helixtrans-101129.1-177.135.5-30.8000114
339T32Very low41.1Very low137 Ų137123.4 Ų123.484%0.8479%0.791SS**  trans-152.6107.6161.1-17.70000115.4
340S38.2Very low39.2Very low110 Ų110123.4 Ų123.477%0.76980%0.797SS**  trans17131.3141.4-45.10000124.5
341Q35.3Very low38.2Very low195 Ų195121.2 Ų121.291%0.91180%0.797SS**  trans12.6148.2132.8-64.1178.4-10.600120
342A36.1Very low37.2Very low93 Ų93120 Ų12077%0.76981%0.81SS**  cis-161.9-147.337.400000113.2
343P44.5Very low36.1Very low127 Ų127120.7 Ų120.783%0.82582%0.818SS**  -135.6167.6-96.142.4-24.1000119.1
344G31.6Very low34.9Very low72 Ų72112.8 Ų112.874%0.74281%0.808SS**  102.6118.8127.600000123.6
345S30.6Very low34.2Very low131 Ų131115.9 Ų115.992%0.91682%0.824SS**  trans-179.1167.6151-76.20000109.1
346G31Very low33.3Very low82 Ų82115.1 Ų115.185%0.84582%0.821SS**  cis123.4122.8-2.900000112.6
347G30Very low32.7Very low72 Ų72118.3 Ų118.374%0.74282%0.824SS**  cis-173-168.5-3.300000113
348E28.1Very low32.1Very low207 Ų207118.3 Ų118.397%0.96782%0.822SS**  trans65.3140.5174-63.9173.967.500119.2
349G30.3Very low31.3Very low69 Ų69120.8 Ų120.871%0.71182%0.822SS**  cis170.6137.7-13.700000115.3
350T27.3Very low31.6Very low157 Ų157119.7 Ų119.796%0.96382%0.817SS**  trans66.6142.9155.4-40.70000119.5
351G28.4Very low31.5Very low76 Ų76120 Ų12078%0.78482%0.815SS**  cis157.9147.6-8.400000112.6
352G27.7Very low31.5Very low83 Ų83117.8 Ų117.886%0.85681%0.814SS**  trans133144.1165.300000118.4
353S31.8Very low31.5Very low132 Ų132118 Ų11892%0.92381%0.81SS**  trans-133141.8-173-61.10000115.4
354G28.8Very low31.3Very low66 Ų66118.6 Ų118.668%0.6881%0.806SS**  trans102.3123.4141.600000120.6
355T27.6Very low31.9Very low146 Ų146120.6 Ų120.690%0.89681%0.806SS**  166.7135.9116.3380000115.5
356S27.8Very low32.7Very low109 Ų109121.1 Ų121.176%0.76279%0.792SS**  trans18.1129.1151.5-46.70000125.5
357Q30.8Very low33.5Very low180 Ų180121.6 Ų121.684%0.84180%0.797SS**  142.291.6103.2-157.4164.6-1700118.9
358V28.2Very low34.6Very low117 Ų117124.4 Ų124.471%0.70979%0.794SS**  trans41.2122.3137.7-1540000123.9
359H31.3Very low35.2Very low176 Ų176121.4 Ų121.482%0.81578%0.784SS**  158.9153.1118.3-97.8-92.5000112
360P37.4Very low36.2Very low113 Ų113122.8 Ų122.873%0.73479%0.789SS**  cis-125.3165.2-25.539.5-25.3000114.1
361T36.1Very low37Very low118 Ų118120 Ų12072%0.72478%0.782SS**  trans-87.8140.8171.2-610000111.7
362V35.1Very low38.1Very low148 Ų148121.2 Ų121.290%0.89778%0.779SS**  trans-107118.3149.7172.60000107.6
363S36.5Very low39.1Very low98 Ų98123.9 Ų123.969%0.68577%0.773SS**  trans-83.7134.3-174.9-60.30000111.5P365S363-P365 WeakPolarHBondContact O-CD 3.16Å
364N41Very low39.8Very low138 Ų138121.3 Ų121.374%0.73877%0.767SS**  trans-84.3118.1171.5-160.369.1000109.9F366N364-F366 VanDerWaalsContact C-N 3.34Å; N364-F366 PolarHBondContact O-N 3.06Å
365P44.4Very low40.9Very low115 Ų115124.4 Ų124.475%0.74778%0.778SS**SBendtrans-84.85.6-165.433-36.6000115.7S363S363-P365 WeakPolarHBondContact O-CD 3.16Å
366F46.6Very low41.9Very low141 Ų141121.1 Ų121.162%0.61877%0.774SS**SBendtrans-116.8111.3171.8-83.8-96000109.8N364 I368N364-F366 VanDerWaalsContact C-N 3.34Å; N364-F366 PolarHBondContact O-N 3.06Å; F366-I368 VanDerWaalsContact C-N 3.33Å; F366-I368 PolarHBondContact O-N 3.36Å
367G47.5Very low43.3Very low92 Ų92120.9 Ų120.995%0.94876%0.762SS**  trans-74.875.1-175.800000113.4
368I54.1Low44.1Very low132 Ų132120 Ų12068%0.67776%0.755SS**  trans-108.1133.7172.6-57.3178.9000108.9F366 A370F366-I368 VanDerWaalsContact C-N 3.33Å; F366-I368 PolarHBondContact O-N 3.36Å; I368-A370 PolarHBondContact O-N 3.11Å
369N40.6Very low45.2Very low143 Ų143121.9 Ų121.977%0.76576%0.762SS**  trans-69.3128.3-172.2-118.1-64.8000112.6A371N369-A371 PolarHBondContact O-N 2.82Å
370A50.4Low46.4Very low98 Ų98115.2 Ų115.281%0.8174%0.735SS**THydrogen-bonded Turntrans-77.333.4-17600000114.6I368I368-A370 PolarHBondContact O-N 3.11Å
371A45.2Very low47.2Very low99 Ų99115 Ų11582%0.81873%0.734SS**THydrogen-bonded Turntrans-105.2-2.8169.400000112.8N369N369-A371 PolarHBondContact O-N 2.82Å
372S50.5Low48Very low102 Ų102115.9 Ų115.971%0.71373%0.729SS**SBendtrans-117.1-11.5-168.6-160.40000115.4
373L49.5Very low49.3Very low138 Ų138112.3 Ų112.372%0.72370%0.704SS**SBendtrans-137.3122.3-176.7-83.9161.4000111.1S375L373-S375 PolarHBondContact O-N 2.8Å
374G46.2Very low50.6Low79 Ų79114.9 Ų114.981%0.81471%0.705SS**  trans-78.3103.8-17500000113.4G376G374-G376 PolarHBondContact O-N 3.16Å
375S52.1Low51.6Low130 Ų130111.2 Ų111.291%0.90969%0.694SS**THydrogen-bonded Turntrans-75.548.8-178-52.50000114.8L373L373-S375 PolarHBondContact O-N 2.8Å
376G47.7Very low52.5Low78 Ų78107.6 Ų107.680%0.80467%0.668SS**THydrogen-bonded Turntrans-113.4-8.1-173.800000117.1G374G374-G376 PolarHBondContact O-N 3.16Å
377M58.5Low52.9Low103 Ų103107.5 Ų107.551%0.50767%0.673SS.*SBendtrans-127.46.9-152.7-145.4170.581.900117.1
378F47.3Very low53.7Low161 Ų161109.4 Ų109.471%0.70666%0.657SS**SBendtrans-119.614.6-169-129-82.3000116.1L166L166-F378 HydrophobicContact CB-CZ 4.31Å; L166-F378 VanDerWaalsContact O-CE2 3.28Å; L166-F378 WeakPolarHBondContact O-CE2 3.47Å; L166-F378 WeakPolarHBondContact O-CZ 3.44Å
379N51.4Low53.7Low157 Ų157108.4 Ų108.484%0.8465%0.65SS**  trans-148.553.9176.6-161.230.3000112.5
380S55.4Low54.4Low37 Ų37107.7 Ų107.726%0.25965%0.645SS.*  trans-97.2120.2176.240.60000110.6S170 E382 M383S170-S380 PolarHBondContact OG-OG 3.11Å; S380-E382 PolarHBondContact O-N 2.82Å; S380-E382 VanDerWaalsContact O-N 3.13Å; S380-M383 PolarHBondContact O-N 3.22Å
381P54.5Low54.5Low108 Ų108107 Ų10770%0.70163%0.634SS**THydrogen-bonded Turntrans-64.7-15.2179.718.4-26.7000114.8M383P381-M383 VanDerWaalsContact C-N 3.3Å; P381-M383 PolarHBondContact O-N 3.19Å
382E54.5Low55.2Low136 Ų136109.5 Ų109.564%0.63663%0.629SS**Hα-helixtrans-63.8-31.2172.3-71.9-165.698.500113.7S380 Q384 A385 L386S380-E382 PolarHBondContact O-N 2.82Å; S380-E382 VanDerWaalsContact O-N 3.13Å; E382-Q384 VanDerWaalsContact C-N 3.27Å; E382-Q384 PolarHBondContact O-N 2.8Å; E382-A385 PolarHBondContact O-N 3.25Å; E382-L386 PolarHBondContact O-N 3Å
383M62.4Low54.9Low74 Ų74107.7 Ų107.737%0.36561%0.611SS.*Hα-helixtrans-69.6-25.9-173.4-169.6168.1-175.100112.9G169 S170 S380 P381G169-M383 VanDerWaalsContact C-CE 3.4Å; S170-M383 WeakPolarHBondContact CB-SD 3.1Å; S380-M383 PolarHBondContact O-N 3.22Å; P381-M383 VanDerWaalsContact C-N 3.3Å; P381-M383 PolarHBondContact O-N 3.19Å
384Q62Low55.4Low152 Ų152105.5 Ų105.571%0.7161%0.605SS**Hα-helixtrans-82.1-30.5177.9-71.1167.1-8.900112E382E382-Q384 VanDerWaalsContact C-N 3.27Å; E382-Q384 PolarHBondContact O-N 2.8Å
385A62.5Low55.8Low60 Ų60108.8 Ų108.850%0.49660%0.599SS.*Hα-helixtrans-68.8-38.6175.700000112.5E382 L387 Q388 Q389E382-A385 PolarHBondContact O-N 3.25Å; A385-L387 VanDerWaalsContact C-N 3.33Å; A385-L387 PolarHBondContact O-N 3.28Å; A385-Q388 WeakPolarHBondContact O-CB 3.36Å; A385-Q388 PolarHBondContact O-N 3.45Å; A385-Q389 PolarHBondContact O-N 3.45Å; A385-Q389 VanDerWaalsContact O-N 3.15Å
386L64.6Low56.4Low40 Ų40107.6 Ų107.621%0.20958%0.582CS.*Hα-helixtrans-61.9-38.8-179.4-165.178.4000112.9E382 Q388 Q389 I390E382-L386 PolarHBondContact O-N 3Å; L386-Q388 VanDerWaalsContact C-N 3.28Å; L386-Q388 PolarHBondContact O-N 3.01Å; L386-Q389 PolarHBondContact O-N 3.36Å; L386-I390 PolarHBondContact O-N 2.95Å; L386-I390 VanDerWaalsContact O-N 3.16Å
387L54.9Low56.7Low138 Ų138109.2 Ų109.272%0.72357%0.57SS**Hα-helixtrans-69.5-27.3-178.9-156.776.5000112.2A385A385-L387 VanDerWaalsContact C-N 3.33Å; A385-L387 PolarHBondContact O-N 3.28Å
388Q63.5Low56.3Low132 Ų132106.5 Ų106.562%0.61756%0.556SS**Hα-helixtrans-72.4-50.7172.4-148.799.38600110.2A385 L386 I390 S391 E392A385-Q388 WeakPolarHBondContact O-CB 3.36Å; A385-Q388 PolarHBondContact O-N 3.45Å; L386-Q388 VanDerWaalsContact C-N 3.28Å; L386-Q388 PolarHBondContact O-N 3.01Å; Q388-I390 VanDerWaalsContact C-N 3.32Å; Q388-I390 PolarHBondContact O-N 3.05Å; Q388-S391 PolarHBondContact O-N 3.22Å; Q388-S391 PolarHBondContact O-OG 3.24Å; Q388-E392 PolarHBondContact O-N 3.19Å
389Q53.6Low56.6Low111 Ų111104.3 Ų104.352%0.51955%0.552SS.*Hα-helixtrans-64.6-30.2-174.3-167.1170.9-61.600114.2A385 L386 S391A385-Q389 PolarHBondContact O-N 3.45Å; A385-Q389 VanDerWaalsContact O-N 3.15Å; L386-Q389 PolarHBondContact O-N 3.36Å; Q389-S391 VanDerWaalsContact C-N 3.32Å
390I54.8Low56.8Low128 Ų128100.8 Ų100.866%0.65654%0.536SS*.Hα-helixtrans-68.2-29.9173.2-93.1171.5000112.5L386 Q388L386-I390 PolarHBondContact O-N 2.95Å; L386-I390 VanDerWaalsContact O-N 3.16Å; Q388-I390 VanDerWaalsContact C-N 3.32Å; Q388-I390 PolarHBondContact O-N 3.05Å
391S52.6Low56.8Low85 Ų85101.1 Ų101.159%0.59453%0.534SS*.Hα-helixtrans-79.8-24.7178.170.10000113.7Q388 Q389Q388-S391 PolarHBondContact O-N 3.22Å; Q388-S391 PolarHBondContact O-OG 3.24Å; Q389-S391 VanDerWaalsContact C-N 3.32Å
392E61.7Low56.9Low150 Ų15098.8 Ų98.870%0.70152%0.521SS*.Hα-helixtrans-84.5-20.4-177.9-69.8-17499.500114.2Q388 P394Q388-E392 PolarHBondContact O-N 3.19Å; E392-P394 VanDerWaalsContact C-CD 3.47Å; E392-P394 VanDerWaalsContact O-CD 3.25Å; E392-P394 WeakPolarHBondContact O-CD 3.49Å
393N43.9Very low57Low65 Ų6593.6 Ų93.635%0.34850%0.501SS..  trans-121.272.9-175.2-161.2-14.5000114.3Q395 L396N393-Q395 PolarHBondContact O-N 2.81Å; N393-Q395 PolarHBondContact OD1-N 2.9Å; N393-L396 HydrophobicContact CB-CD1 4.03Å; N393-L396 HydrophobicContact CB-CG 4.33Å; N393-L396 WeakPolarHBondContact ND2-CD1 3.23Å; N393-L396 PolarHBondContact O-N 2.9Å; N393-L396 PolarHBondContact OD1-N 3Å
394P60.1Low56.4Low92 Ų9295.4 Ų95.460%0.59752%0.518SS*.Hα-helixtrans-65.6-16.3177.928-35.5000113.6E392 L396 M397 Q398E392-P394 VanDerWaalsContact C-CD 3.47Å; E392-P394 VanDerWaalsContact O-CD 3.25Å; E392-P394 WeakPolarHBondContact O-CD 3.49Å; P394-L396 VanDerWaalsContact C-N 3.33Å; P394-M397 PolarHBondContact O-N 2.84Å; P394-Q398 PolarHBondContact O-N 2.84Å
395Q54.8Low56Low148 Ų14893.4 Ų93.469%0.69251%0.505SS*.Hα-helixtrans-71.6-26.1176.5-67-177.3-56.300112.7N393 Q398 N399N393-Q395 PolarHBondContact O-N 2.81Å; N393-Q395 PolarHBondContact OD1-N 2.9Å; Q395-Q398 PolarHBondContact O-N 3.43Å; Q395-N399 WeakPolarHBondContact O-CB 3.4Å; Q395-N399 PolarHBondContact O-N 3.33Å
396L63.9Low55.7Low104 Ų10494 Ų9455%0.54550%0.499SS..Hα-helixtrans-66.1-44.2171-71.2173000111.1N393 P394 Q398 N399 V400N393-L396 HydrophobicContact CB-CD1 4.03Å; N393-L396 HydrophobicContact CB-CG 4.33Å; N393-L396 WeakPolarHBondContact ND2-CD1 3.23Å; N393-L396 PolarHBondContact O-N 2.9Å; N393-L396 PolarHBondContact OD1-N 3Å; P394-L396 VanDerWaalsContact C-N 3.33Å; L396-Q398 VanDerWaalsContact C-N 3.33Å; L396-Q398 PolarHBondContact O-N 2.8Å; L396-N399 PolarHBondContact O-N 3.09Å; L396-V400 WeakPolarHBondContact O-CG2 3.32Å; L396-V400 PolarHBondContact O-N 3.42Å
397M53.7Low55.3Low113 Ų11398.6 Ų98.656%0.55751%0.513SS*.Hα-helixtrans-65.9-36.4175.1-174166.8158.300111.5P394 V400 I401P394-M397 PolarHBondContact O-N 2.84Å; M397-V400 PolarHBondContact O-N 3.36Å; M397-I401 HydrophobicContact CE-CD1 4.01Å; M397-I401 HydrophobicContact CG-CD1 3.91Å; M397-I401 WeakPolarHBondContact O-CB 3.05Å; M397-I401 VanDerWaalsContact O-CG1 3.31Å; M397-I401 WeakPolarHBondContact O-CG1 3.46Å; M397-I401 PolarHBondContact O-N 3.36Å
398Q49.8Very low55.7Low46 Ų4695.3 Ų95.322%0.21550%0.502CS..Hα-helixtrans-62.3-45.8172.5-159.584.18800111.9P394 Q395 L396 V400 I401 S402P394-Q398 PolarHBondContact O-N 2.84Å; Q395-Q398 PolarHBondContact O-N 3.43Å; L396-Q398 VanDerWaalsContact C-N 3.33Å; L396-Q398 PolarHBondContact O-N 2.8Å; Q398-V400 PolarHBondContact O-N 3.06Å; Q398-I401 PolarHBondContact O-N 3.41Å; Q398-S402 VanDerWaalsContact O-CB 3.31Å; Q398-S402 WeakPolarHBondContact O-CB 3.41Å; Q398-S402 PolarHBondContact O-N 3.13Å; Q398-S402 PolarHBondContact O-OG 2.88Å; Q398-S402 VanDerWaalsContact O-OG 3.06Å
399N53.3Low55.4Low114 Ų11492.6 Ų92.661%0.6149%0.49SS*.Hα-helixtrans-66.4-34177.8-89.84.2000113.3Q395 L396 S402 A403Q395-N399 WeakPolarHBondContact O-CB 3.4Å; Q395-N399 PolarHBondContact O-N 3.33Å; L396-N399 PolarHBondContact O-N 3.09Å; N399-S402 WeakPolarHBondContact CA-OG 3.5Å; N399-S402 PolarHBondContact O-OG 3.02Å; N399-A403 PolarHBondContact O-N 2.77Å
400V55.6Low55.4Low83 Ų8389.5 Ų89.550%0.50348%0.476SS..Hα-helixtrans-68.1-45173.5166.60000110.6L396 M397 Q398 A403 M406L396-V400 WeakPolarHBondContact O-CG2 3.32Å; L396-V400 PolarHBondContact O-N 3.42Å; M397-V400 PolarHBondContact O-N 3.36Å; Q398-V400 PolarHBondContact O-N 3.06Å; V400-A403 VanDerWaalsContact O-CB 3.23Å; V400-A403 WeakPolarHBondContact O-CB 3.23Å; V400-A403 PolarHBondContact O-N 3.39Å; V400-M406 HydrophobicContact CG1-CE 3.5Å; V400-M406 HydrophobicContact CG1-SD 4.49Å; V400-M406 WeakPolarHBondContact O-CE 3.39Å
401I56.3Low55.6Low44 Ų4488.4 Ų88.423%0.22647%0.468CS..Hα-helixtrans-68.7-37.4177.7-71.6170000112.1M397 Q398 A403 M406 L460M397-I401 HydrophobicContact CE-CD1 4.01Å; M397-I401 HydrophobicContact CG-CD1 3.91Å; M397-I401 WeakPolarHBondContact O-CB 3.05Å; M397-I401 VanDerWaalsContact O-CG1 3.31Å; M397-I401 WeakPolarHBondContact O-CG1 3.46Å; M397-I401 PolarHBondContact O-N 3.36Å; Q398-I401 PolarHBondContact O-N 3.41Å; I401-A403 PolarHBondContact O-N 2.98Å; I401-M406 HydrophobicContact CG1-SD 4.36Å; I401-L460 HydrophobicContact CD1-CD2 4.3Å; I401-L460 HydrophobicContact CG2-CD2 4.22Å
402S57.6Low55.9Low60 Ų6087 Ų8742%0.4246%0.456SS..THydrogen-bonded Turntrans-80.90.8177.272.20000113.7Q398 N399Q398-S402 VanDerWaalsContact O-CB 3.31Å; Q398-S402 WeakPolarHBondContact O-CB 3.41Å; Q398-S402 PolarHBondContact O-N 3.13Å; Q398-S402 PolarHBondContact O-OG 2.88Å; Q398-S402 VanDerWaalsContact O-OG 3.06Å; N399-S402 WeakPolarHBondContact CA-OG 3.5Å; N399-S402 PolarHBondContact O-OG 3.02Å
403A55.8Low55.7Low27 Ų2782.4 Ų82.422%0.22344%0.436CS..  trans-60.7134.5179.800000110.3N399 V400 I401 Y405 M406 R407N399-A403 PolarHBondContact O-N 2.77Å; V400-A403 VanDerWaalsContact O-CB 3.23Å; V400-A403 WeakPolarHBondContact O-CB 3.23Å; V400-A403 PolarHBondContact O-N 3.39Å; I401-A403 PolarHBondContact O-N 2.98Å; A403-Y405 PolarHBondContact O-N 3.02Å; A403-M406 HydrophobicContact CB-CB 4.22Å; A403-M406 WeakPolarHBondContact O-CA 3.25Å; A403-M406 PolarHBondContact O-N 3.3Å; A403-R407 PolarHBondContact O-N 3.42Å
404P49.4Very low56.7Low112 Ų11280.6 Ų80.673%0.72743%0.43SS*.Hα-helixtrans-61.9-29.2178.925-33.7000111.8S408P404-S408 WeakPolarHBondContact O-CB 3.32Å; P404-S408 PolarHBondContact O-N 2.86Å
405Y54.7Low56.8Low109 Ų10982.2 Ų82.243%0.42743%0.429SS..Hα-helixtrans-62.8-40.7170-176.8-102.2000112.6L214 H217 A403 S408 M409L214-Y405 HydrophobicContact CD1-CE2 4.38Å; H217-Y405 AromaticContact CD2-CD2 3.52Å; H217-Y405 AromaticContact CD2-CE2 3.74Å; H217-Y405 AromaticContact NE2-CD2 3.23Å; H217-Y405 WeakPolarHBondContact NE2-CD2 3.31Å; H217-Y405 AromaticContact NE2-CE2 3.92Å; H217-Y405 AromaticContact NE2-CG 3.79Å; A403-Y405 PolarHBondContact O-N 3.02Å; Y405-S408 WeakPolarHBondContact O-CB 3.38Å; Y405-S408 PolarHBondContact O-N 3.21Å; Y405-M409 HydrophobicContact CE1-SD 4.48Å; Y405-M409 WeakPolarHBondContact O-CB 3.34Å; Y405-M409 PolarHBondContact O-N 2.78Å
406M55.2Low56.7Low74 Ų7479.4 Ų79.437%0.36542%0.419SS..Hα-helixtrans-74.3-36178.5-165.5165.4-61.500111.9V400 I401 A403 S408 M409 M410V400-M406 HydrophobicContact CG1-CE 3.5Å; V400-M406 HydrophobicContact CG1-SD 4.49Å; V400-M406 WeakPolarHBondContact O-CE 3.39Å; I401-M406 HydrophobicContact CG1-SD 4.36Å; A403-M406 HydrophobicContact CB-CB 4.22Å; A403-M406 WeakPolarHBondContact O-CA 3.25Å; A403-M406 PolarHBondContact O-N 3.3Å; M406-S408 VanDerWaalsContact C-N 3.34Å; M406-M409 PolarHBondContact O-N 3.46Å; M406-M410 WeakPolarHBondContact O-CB 3.31Å; M406-M410 PolarHBondContact O-N 2.87Å
407R55.8Low56.6Low136 Ų13678 Ų7851%0.51342%0.416SS..Hα-helixtrans-61.8-41.9167.5-76.8-158.875160.64.8111.8A403 Q411A403-R407 PolarHBondContact O-N 3.42Å; R407-Q411 WeakPolarHBondContact O-CB 3.19Å; R407-Q411 PolarHBondContact O-N 3.29Å
408S64.4Low57.2Low69 Ų6978.8 Ų78.848%0.48342%0.423SS..Hα-helixtrans-60.6-52.3174.3-170.90000110.9P404 Y405 M406 M410 Q411 T412P404-S408 WeakPolarHBondContact O-CB 3.32Å; P404-S408 PolarHBondContact O-N 2.86Å; Y405-S408 WeakPolarHBondContact O-CB 3.38Å; Y405-S408 PolarHBondContact O-N 3.21Å; M406-S408 VanDerWaalsContact C-N 3.34Å; S408-M410 PolarHBondContact O-N 2.74Å; S408-Q411 CarbonylContact O-C 3.55Å; S408-Q411 PolarHBondContact O-N 3.46Å; S408-T412 PolarHBondContact O-N 2.81Å; S408-T412 PolarHBondContact O-OG1 3.19Å; S408-T412 VanDerWaalsContact O-OG1 3.09Å
409M56.3Low58.1Low75 Ų7582 Ų8237%0.36944%0.436SS..Hα-helixtrans-59.6-43.7179.5-166.6172.9-162.200112.2Y405 M406 Q411 T412 L413 M423Y405-M409 HydrophobicContact CE1-SD 4.48Å; Y405-M409 WeakPolarHBondContact O-CB 3.34Å; Y405-M409 PolarHBondContact O-N 2.78Å; M406-M409 PolarHBondContact O-N 3.46Å; M409-Q411 VanDerWaalsContact C-N 3.34Å; M409-T412 PolarHBondContact O-N 3.47Å; M409-L413 VanDerWaalsContact O-CB 3.25Å; M409-L413 WeakPolarHBondContact O-CB 3.03Å; M409-L413 PolarHBondContact O-N 3.29Å; M409-M423 HydrophobicContact CE-CE 3.88Å; M409-M423 HydrophobicContact CE-SD 4.11Å
410M53.8Low58.5Low45 Ų4576.8 Ų76.822%0.22241%0.409CS..Hα-helixtrans-68.3-29.8175.9-179.6177.3156.400112.8M406 S408 L413 A414 M451 L457M406-M410 WeakPolarHBondContact O-CB 3.31Å; M406-M410 PolarHBondContact O-N 2.87Å; S408-M410 PolarHBondContact O-N 2.74Å; M410-L413 WeakPolarHBondContact O-CB 3.22Å; M410-A414 VanDerWaalsContact O-CB 3.26Å; M410-A414 WeakPolarHBondContact O-CB 3.38Å; M410-A414 PolarHBondContact O-N 3.22Å; M410-M451 HydrophobicContact CE-CB 3.87Å; M410-M451 HydrophobicContact CE-CE 3.56Å; M410-M451 HydrophobicContact CE-CG 4.3Å; M410-M451 HydrophobicContact CE-SD 3.47Å; M410-M451 WeakPolarHBondContact CE-SD 3.45Å; M410-M451 HydrophobicContact CG-CE 4.16Å; M410-M451 HydrophobicContact SD-CE 3.87Å; M410-M451 HydrophobicContact SD-SD 4.32Å; M410-L457 HydrophobicContact CE-CD1 3.99Å; M410-L457 HydrophobicContact CE-CD2 3.9Å; M410-L457 HydrophobicContact CE-CG 3.89Å; M410-L457 HydrophobicContact SD-CD2 4.45Å
411Q58.4Low58.6Low105 Ų10574.5 Ų74.549%0.49140%0.399SS..Hα-helixtrans-79.3-34.8175.4-174165-35.600111.6R407 S408 M409 A414 Q415R407-Q411 WeakPolarHBondContact O-CB 3.19Å; R407-Q411 PolarHBondContact O-N 3.29Å; S408-Q411 CarbonylContact O-C 3.55Å; S408-Q411 PolarHBondContact O-N 3.46Å; M409-Q411 VanDerWaalsContact C-N 3.34Å; Q411-A414 CarbonylContact O-C 3.42Å; Q411-A414 PolarHBondContact O-N 2.91Å; Q411-Q415 WeakPolarHBondContact O-CB 3.38Å; Q411-Q415 WeakPolarHBondContact O-CG 3.47Å; Q411-Q415 PolarHBondContact O-N 3.3Å
412T60.3Low58.7Low56 Ų5677.4 Ų77.434%0.34441%0.412SS..Hα-helixtrans-67.1-39.3167.4-56.70000111S408 M409 A414 Q415 N416S408-T412 PolarHBondContact O-N 2.81Å; S408-T412 PolarHBondContact O-OG1 3.19Å; S408-T412 VanDerWaalsContact O-OG1 3.09Å; M409-T412 PolarHBondContact O-N 3.47Å; T412-A414 VanDerWaalsContact C-N 3.27Å; T412-A414 PolarHBondContact O-N 2.77Å; T412-Q415 PolarHBondContact O-N 3.37Å; T412-N416 WeakPolarHBondContact O-CB 3.34Å; T412-N416 PolarHBondContact O-N 2.9Å
413L57.3Low58.8Low54 Ų5479 Ų7928%0.28341%0.413SS..Hα-helixtrans-60.4-38.4170.6-155.176.2000111.3M409 M410 N416 A420M409-L413 VanDerWaalsContact O-CB 3.25Å; M409-L413 WeakPolarHBondContact O-CB 3.03Å; M409-L413 PolarHBondContact O-N 3.29Å; M410-L413 WeakPolarHBondContact O-CB 3.22Å; L413-N416 CarbonylContact O-C 3.56Å; L413-A420 VanDerWaalsContact CD1-CA 3.46Å; L413-A420 HydrophobicContact CD1-CB 3.31Å; L413-A420 HydrophobicContact CD2-CB 4.42Å; L413-A420 HydrophobicContact CG-CB 3.51Å
414A63.3Low58.7Low26 Ų2681.2 Ų81.222%0.21542%0.42CS..Hα-helixtrans-77.8-25178.300000114.1M410 Q411 T412 L448M410-A414 VanDerWaalsContact O-CB 3.26Å; M410-A414 WeakPolarHBondContact O-CB 3.38Å; M410-A414 PolarHBondContact O-N 3.22Å; Q411-A414 CarbonylContact O-C 3.42Å; Q411-A414 PolarHBondContact O-N 2.91Å; T412-A414 VanDerWaalsContact C-N 3.27Å; T412-A414 PolarHBondContact O-N 2.77Å; A414-L448 HydrophobicContact CB-CD2 3.82Å; A414-L448 HydrophobicContact CB-CG 4.31Å
415Q63.5Low59.2Low126 Ų12679 Ų7959%0.58940%0.404SS*.Hα-helixtrans-87-30.7175-73.1171.710.200112.3Q411 T412 P417Q411-Q415 WeakPolarHBondContact O-CB 3.38Å; Q411-Q415 WeakPolarHBondContact O-CG 3.47Å; Q411-Q415 PolarHBondContact O-N 3.3Å; T412-Q415 PolarHBondContact O-N 3.37Å; Q415-P417 WeakPolarHBondContact O-CD 3.26Å
416N53.1Low59.3Low90 Ų9079.4 Ų79.448%0.48141%0.414SS..  trans-12279.7177.8-73.7-53.3000110.8T412 L413 D418 F419 A420T412-N416 WeakPolarHBondContact O-CB 3.34Å; T412-N416 PolarHBondContact O-N 2.9Å; L413-N416 CarbonylContact O-C 3.56Å; N416-D418 PolarHBondContact O-N 3.21Å; N416-F419 HydrophobicContact CB-CB 3.87Å; N416-F419 WeakPolarHBondContact O-CB 3.38Å; N416-F419 PolarHBondContact O-N 3.41Å; N416-F419 VanDerWaalsContact O-N 3.12Å; N416-A420 PolarHBondContact O-N 3.42Å
417P60.7Low59.3Low74 Ų7478.2 Ų78.248%0.48141%0.411SS..Hα-helixtrans-62.5-24.7176.826.7-35.3000112.7Q415 A420 A421 L448Q415-P417 WeakPolarHBondContact O-CD 3.26Å; P417-A420 WeakPolarHBondContact O-CB 3.42Å; P417-A420 PolarHBondContact O-N 2.87Å; P417-A421 PolarHBondContact O-N 3.25Å; P417-L448 HydrophobicContact CB-CD1 4.43Å
418D66.9Low59.2Low129 Ų12977.2 Ų77.269%0.6942%0.422SS*.Hα-helixtrans-67.1-41.4174.1-126.1-91.5000111.7N416 A420 A421 Q422N416-D418 PolarHBondContact O-N 3.21Å; D418-A420 VanDerWaalsContact C-N 3.3Å; D418-A420 PolarHBondContact O-N 2.74Å; D418-A421 PolarHBondContact O-N 3.37Å; D418-Q422 VanDerWaalsContact O-CB 3.31Å; D418-Q422 WeakPolarHBondContact O-CB 3.34Å; D418-Q422 PolarHBondContact O-N 3.31Å
419F68.8Low58.8Low114 Ų11481.3 Ų81.350%0.544%0.437SS..Hα-helixtrans-65.5-34.6173.8-173.8-100000111.7N416 Q422 M423N416-F419 HydrophobicContact CB-CB 3.87Å; N416-F419 WeakPolarHBondContact O-CB 3.38Å; N416-F419 PolarHBondContact O-N 3.41Å; N416-F419 VanDerWaalsContact O-N 3.12Å; F419-Q422 PolarHBondContact O-N 2.91Å; F419-M423 WeakPolarHBondContact O-CB 3.23Å; F419-M423 PolarHBondContact O-N 2.82Å
420A60.9Low58.7Low5 Ų581.6 Ų81.64%0.04144%0.437CS..Hα-helixtrans-64.1-46.9173.100000112.3L413 N416 P417 D418 M423 M424 L444L413-A420 VanDerWaalsContact CD1-CA 3.46Å; L413-A420 HydrophobicContact CD1-CB 3.31Å; L413-A420 HydrophobicContact CD2-CB 4.42Å; L413-A420 HydrophobicContact CG-CB 3.51Å; N416-A420 PolarHBondContact O-N 3.42Å; P417-A420 WeakPolarHBondContact O-CB 3.42Å; P417-A420 PolarHBondContact O-N 2.87Å; D418-A420 VanDerWaalsContact C-N 3.3Å; D418-A420 PolarHBondContact O-N 2.74Å; A420-M423 PolarHBondContact O-N 2.74Å; A420-M424 PolarHBondContact O-N 2.83Å; A420-L444 HydrophobicContact CB-CD2 4.46Å
421A58.6Low58.8Low35 Ų3582 Ų8229%0.28945%0.448SS..Hα-helixtrans-61.9-45.4174.500000110.9P417 D418 M423 M424 V425P417-A421 PolarHBondContact O-N 3.25Å; D418-A421 PolarHBondContact O-N 3.37Å; A421-M423 PolarHBondContact O-N 2.98Å; A421-M424 PolarHBondContact O-N 3.08Å; A421-V425 WeakPolarHBondContact O-CB 3.05Å; A421-V425 WeakPolarHBondContact O-CG2 3.46Å; A421-V425 PolarHBondContact O-N 3.46Å
422Q58.8Low58.7Low105 Ų10580 Ų8049%0.49145%0.454SS..Hα-helixtrans-59.9-43.4177.3-1657067.300111.9D418 F419 V425 N426D418-Q422 VanDerWaalsContact O-CB 3.31Å; D418-Q422 WeakPolarHBondContact O-CB 3.34Å; D418-Q422 PolarHBondContact O-N 3.31Å; F419-Q422 PolarHBondContact O-N 2.91Å; Q422-V425 PolarHBondContact O-N 3.46Å; Q422-N426 WeakPolarHBondContact O-CB 3.47Å; Q422-N426 PolarHBondContact O-N 2.81Å; Q422-N426 PolarHBondContact O-OD1 3.24Å
423M58.3Low58.5Low93 Ų9381.8 Ų81.846%0.45846%0.462SS..Hα-helixtrans-63.4-46.3176.5-166.1178.5-170.900111M409 F419 A420 A421 N426 V427M409-M423 HydrophobicContact CE-CE 3.88Å; M409-M423 HydrophobicContact CE-SD 4.11Å; F419-M423 WeakPolarHBondContact O-CB 3.23Å; F419-M423 PolarHBondContact O-N 2.82Å; A420-M423 PolarHBondContact O-N 2.74Å; A421-M423 PolarHBondContact O-N 2.98Å; M423-N426 CarbonylContact O-C 3.46Å; M423-N426 PolarHBondContact O-N 3.44Å; M423-V427 WeakPolarHBondContact O-CG2 3.44Å; M423-V427 PolarHBondContact O-N 3.42Å; M423-V427 VanDerWaalsContact O-N 3.08Å
424M54.7Low58.9Low73 Ų7382.7 Ų82.736%0.3647%0.471SS..Hα-helixtrans-67.2-33.2176.7-81.2-177.716200114.1A420 A421 N426 V427 L440 L444A420-M424 PolarHBondContact O-N 2.83Å; A421-M424 PolarHBondContact O-N 3.08Å; M424-N426 VanDerWaalsContact C-N 3.29Å; M424-V427 PolarHBondContact O-N 3.06Å; M424-L440 HydrophobicContact CE-CD2 3.58Å; M424-L440 HydrophobicContact SD-CD2 3.5Å; M424-L440 VanDerWaalsContact SD-CD2 3.5Å; M424-L444 HydrophobicContact SD-CD1 4.05Å
425V59.9Low59.1Low66 Ų6689.5 Ų89.540%0.450%0.498SS..Hα-helixtrans-66.1-34.2171.9167.60000110.9A421 Q422A421-V425 WeakPolarHBondContact O-CB 3.05Å; A421-V425 WeakPolarHBondContact O-CG2 3.46Å; A421-V425 PolarHBondContact O-N 3.46Å; Q422-V425 PolarHBondContact O-N 3.46Å
426N56.6Low59.2Low117 Ų11786.9 Ų86.963%0.62649%0.488SS*.Hα-helixtrans-84.6-7.9176.7-85.752000114.8Q422 M423 M424 P428Q422-N426 WeakPolarHBondContact O-CB 3.47Å; Q422-N426 PolarHBondContact O-N 2.81Å; Q422-N426 PolarHBondContact O-OD1 3.24Å; M423-N426 CarbonylContact O-C 3.46Å; M423-N426 PolarHBondContact O-N 3.44Å; M424-N426 VanDerWaalsContact C-N 3.29Å; N426-P428 VanDerWaalsContact O-CD 3.3Å; N426-P428 WeakPolarHBondContact O-CD 3.05Å
427V55.3Low59.7Low49 Ų4985.2 Ų85.230%0.29748%0.478SS..  trans-76.7117.7173.2178.20000109.6M423 M424 L429 F430 A431M423-V427 WeakPolarHBondContact O-CG2 3.44Å; M423-V427 PolarHBondContact O-N 3.42Å; M423-V427 VanDerWaalsContact O-N 3.08Å; M424-V427 PolarHBondContact O-N 3.06Å; V427-L429 HydrophobicContact CG1-CB 4.06Å; V427-L429 PolarHBondContact O-N 3.5Å; V427-L429 VanDerWaalsContact O-N 3.08Å; V427-F430 HydrophobicContact CB-CD2 4.07Å; V427-F430 HydrophobicContact CG1-CD2 3.74Å; V427-F430 HydrophobicContact CG1-CE2 4.4Å; V427-F430 PolarHBondContact O-N 3.44Å; V427-A431 PolarHBondContact O-N 2.96Å
428P53Low60Low116 Ų11686.4 Ų86.475%0.75348%0.477SS*.Hα-helixtrans-61.2-25.6-175.1-24.935.5000114.6N426 F430N426-P428 VanDerWaalsContact O-CD 3.3Å; N426-P428 WeakPolarHBondContact O-CD 3.05Å; P428-F430 VanDerWaalsContact C-N 3.34Å
429L55.8Low59.7Low154 Ų15486.5 Ų86.581%0.80647%0.473SS*.Hα-helixtrans-70.2-24.6175.4-76.7162.4000113.9V427V427-L429 HydrophobicContact CG1-CB 4.06Å; V427-L429 PolarHBondContact O-N 3.5Å; V427-L429 VanDerWaalsContact O-N 3.08Å
430F55.3Low59.2Low81 Ų8183.6 Ų83.636%0.35546%0.462SS..Hα-helixtrans-105.7-30.3-179.5-69.8-82.1000112.5V427 P428 G432 N433 L436V427-F430 HydrophobicContact CB-CD2 4.07Å; V427-F430 HydrophobicContact CG1-CD2 3.74Å; V427-F430 HydrophobicContact CG1-CE2 4.4Å; V427-F430 PolarHBondContact O-N 3.44Å; P428-F430 VanDerWaalsContact C-N 3.34Å; F430-G432 PolarHBondContact O-N 3.19Å; F430-N433 PolarHBondContact O-N 3.3Å; F430-L436 HydrophobicContact CD1-CD2 3.72Å; F430-L436 HydrophobicContact CE1-CD2 3.74Å
431A56.5Low59.4Low55 Ų5591.4 Ų91.446%0.45549%0.491SS..Hα-helixtrans-57.3-27.3173.900000113.7V427 N433V427-A431 PolarHBondContact O-N 2.96Å; A431-N433 VanDerWaalsContact C-N 3.32Å; A431-N433 PolarHBondContact O-N 2.8Å
432G56.4Low59.8Low61 Ų6196.1 Ų96.163%0.62951%0.51SS*.THydrogen-bonded Turntrans-76.6-9.6175.500000115.4F430F430-G432 PolarHBondContact O-N 3.19Å
433N54.1Low59.6Low94 Ų9496.3 Ų96.350%0.50351%0.512SS..  trans-130.772.2-166.8-127.150.7000112.4F430 A431 Q435 L436 Q437F430-N433 PolarHBondContact O-N 3.3Å; A431-N433 VanDerWaalsContact C-N 3.32Å; A431-N433 PolarHBondContact O-N 2.8Å; N433-Q435 PolarHBondContact O-N 3.33Å; N433-L436 HydrophobicContact CB-CB 4.44Å; N433-L436 PolarHBondContact O-N 3.2Å; N433-L436 VanDerWaalsContact O-N 3.09Å; N433-Q437 PolarHBondContact O-N 2.82Å; N433-Q437 VanDerWaalsContact O-N 3.14Å
434P67.4Low59.8Low74 Ų7493.2 Ų93.248%0.48150%0.497SS..Hα-helixtrans-59.4-40.9-170.221.9-33.3000113.6L436 Q437 E438P434-L436 VanDerWaalsContact C-N 3.26Å; P434-L436 PolarHBondContact O-N 3.29Å; P434-Q437 CarbonylContact O-C 3.49Å; P434-Q437 WeakPolarHBondContact O-CA 3.41Å; P434-Q437 VanDerWaalsContact O-CB 3.31Å; P434-Q437 WeakPolarHBondContact O-CB 3.46Å; P434-Q437 PolarHBondContact O-N 3.44Å; P434-E438 PolarHBondContact O-N 2.8Å; P434-E438 VanDerWaalsContact O-OE2 3.13Å
435Q66.4Low60.3Low168 Ų16893.7 Ų93.779%0.78551%0.505SS*.Hα-helixtrans-58.3-36.4177.5-73.8-177.4-15.800113.5N433 Q439N433-Q435 PolarHBondContact O-N 3.33Å; Q435-Q439 WeakPolarHBondContact O-CB 3.15Å; Q435-Q439 PolarHBondContact O-N 2.97Å
436L66.1Low60.7Low72 Ų7295.2 Ų95.238%0.37751%0.514SS..Hα-helixtrans-74.9-33.7176.4-165.9144.7000110.6F430 N433 P434 L440F430-L436 HydrophobicContact CD1-CD2 3.72Å; F430-L436 HydrophobicContact CE1-CD2 3.74Å; N433-L436 HydrophobicContact CB-CB 4.44Å; N433-L436 PolarHBondContact O-N 3.2Å; N433-L436 VanDerWaalsContact O-N 3.09Å; P434-L436 VanDerWaalsContact C-N 3.26Å; P434-L436 PolarHBondContact O-N 3.29Å; L436-L440 WeakPolarHBondContact O-CB 3.43Å; L436-L440 PolarHBondContact O-N 3.32Å
437Q62.6Low61Low54 Ų5494.5 Ų94.525%0.25251%0.506SS..Hα-helixtrans-65-41.4171.8-169.8170.870.500112.2N433 P434 R441N433-Q437 PolarHBondContact O-N 2.82Å; N433-Q437 VanDerWaalsContact O-N 3.14Å; P434-Q437 CarbonylContact O-C 3.49Å; P434-Q437 WeakPolarHBondContact O-CA 3.41Å; P434-Q437 VanDerWaalsContact O-CB 3.31Å; P434-Q437 WeakPolarHBondContact O-CB 3.46Å; P434-Q437 PolarHBondContact O-N 3.44Å; Q437-R441 WeakPolarHBondContact O-CB 3.07Å; Q437-R441 PolarHBondContact O-N 3.46Å
438E68.9Low61.4Low99 Ų9993.7 Ų93.746%0.46350%0.5SS..Hα-helixtrans-62.7-49.4172.1-107.784.5-137.600112.1P434 L440 R441 L442P434-E438 PolarHBondContact O-N 2.8Å; P434-E438 VanDerWaalsContact O-OE2 3.13Å; E438-L440 VanDerWaalsContact C-N 3.35Å; E438-L440 PolarHBondContact O-N 3.26Å; E438-R441 PolarHBondContact O-N 3.4Å; E438-L442 WeakPolarHBondContact O-CG 3.28Å; E438-L442 PolarHBondContact O-N 2.98Å
439Q59.5Low61.9Low131 Ų13193.5 Ų93.561%0.61249%0.489SS*.Hα-helixtrans-62.8-43179.6-179.4175.3-43.400111.2Q435 L442 Q443Q435-Q439 WeakPolarHBondContact O-CB 3.15Å; Q435-Q439 PolarHBondContact O-N 2.97Å; Q439-L442 PolarHBondContact O-N 2.67Å; Q439-Q443 WeakPolarHBondContact O-CB 3.46Å; Q439-Q443 PolarHBondContact O-N 3.39Å
440L58.6Low61.8Low53 Ų5391.7 Ų91.728%0.27748%0.476SS..Hα-helixtrans-70.8-34.1177.5-15880.1000111.3M424 L436 E438 Q443 L444M424-L440 HydrophobicContact CE-CD2 3.58Å; M424-L440 HydrophobicContact SD-CD2 3.5Å; M424-L440 VanDerWaalsContact SD-CD2 3.5Å; L436-L440 WeakPolarHBondContact O-CB 3.43Å; L436-L440 PolarHBondContact O-N 3.32Å; E438-L440 VanDerWaalsContact C-N 3.35Å; E438-L440 PolarHBondContact O-N 3.26Å; L440-Q443 CarbonylContact O-C 3.48Å; L440-Q443 PolarHBondContact O-N 2.83Å; L440-L444 HydrophobicContact CD2-CD1 4.15Å; L440-L444 HydrophobicContact CG-CD1 3.9Å; L440-L444 WeakPolarHBondContact O-CA 3.31Å; L440-L444 VanDerWaalsContact O-CB 3.23Å; L440-L444 WeakPolarHBondContact O-CB 2.93Å; L440-L444 WeakPolarHBondContact O-CD1 3.47Å; L440-L444 PolarHBondContact O-N 3.5Å
441R64.5Low61.5Low169 Ų16989.7 Ų89.764%0.63847%0.468SS*.Hα-helixtrans-65.6-36.1173.2-169.8178.477.9123.90.3112.3Q437 E438 P445Q437-R441 WeakPolarHBondContact O-CB 3.07Å; Q437-R441 PolarHBondContact O-N 3.46Å; E438-R441 PolarHBondContact O-N 3.4Å; R441-P445 VanDerWaalsContact O-CD 3.22Å; R441-P445 WeakPolarHBondContact O-CD 3.43Å
442L67.7Low61.7Low134 Ų13492 Ų9270%0.70247%0.47SS*.Hα-helixtrans-72-34173.5-76165.7000112.5E438 Q439E438-L442 WeakPolarHBondContact O-CG 3.28Å; E438-L442 PolarHBondContact O-N 2.98Å; Q439-L442 PolarHBondContact O-N 2.67Å
443Q53.5Low61.5Low110 Ų11093.1 Ų93.151%0.51446%0.461SS..Hα-helixtrans-85.6-21.8177.5-165.6164.791.400113.1Q439 L440 V446 F447Q439-Q443 WeakPolarHBondContact O-CB 3.46Å; Q439-Q443 PolarHBondContact O-N 3.39Å; L440-Q443 CarbonylContact O-C 3.48Å; L440-Q443 PolarHBondContact O-N 2.83Å; Q443-V446 PolarHBondContact O-N 3.07Å; Q443-V446 VanDerWaalsContact O-N 3.11Å; Q443-F447 WeakPolarHBondContact O-CB 3.11Å; Q443-F447 PolarHBondContact O-N 3.31Å
444L62.5Low62Low28 Ų2893.3 Ų93.315%0.14747%0.467CS..Hα-helixtrans-52.7-51-178.4-131.882.8000113A420 M424 L440 V446 F447 L448A420-L444 HydrophobicContact CB-CD2 4.46Å; M424-L444 HydrophobicContact SD-CD1 4.05Å; L440-L444 HydrophobicContact CD2-CD1 4.15Å; L440-L444 HydrophobicContact CG-CD1 3.9Å; L440-L444 WeakPolarHBondContact O-CA 3.31Å; L440-L444 VanDerWaalsContact O-CB 3.23Å; L440-L444 WeakPolarHBondContact O-CB 2.93Å; L440-L444 WeakPolarHBondContact O-CD1 3.47Å; L440-L444 PolarHBondContact O-N 3.5Å; L444-V446 VanDerWaalsContact C-N 3.29Å; L444-V446 PolarHBondContact O-N 2.85Å; L444-F447 PolarHBondContact O-N 3.35Å; L444-L448 WeakPolarHBondContact O-CB 3.23Å; L444-L448 PolarHBondContact O-N 3.43Å
445P64.8Low61.8Low83 Ų8396.4 Ų96.454%0.53948%0.476SS..Hα-helixtrans-63.4-35.4-18023.2-33.1000112.1R441 Q449R441-P445 VanDerWaalsContact O-CD 3.22Å; R441-P445 WeakPolarHBondContact O-CD 3.43Å; P445-Q449 WeakPolarHBondContact O-CB 3.41Å; P445-Q449 PolarHBondContact O-N 3.42Å
446V70.3Confident61.6Low98 Ų9889.3 Ų89.359%0.59445%0.445SS*.Hα-helixtrans-71.1-44.2176.4179.40000111.1Q443 L444 Q450Q443-V446 PolarHBondContact O-N 3.07Å; Q443-V446 VanDerWaalsContact O-N 3.11Å; L444-V446 VanDerWaalsContact C-N 3.29Å; L444-V446 PolarHBondContact O-N 2.85Å; V446-Q450 WeakPolarHBondContact O-CB 3.39Å; V446-Q450 PolarHBondContact O-N 3.29Å
447F61.1Low61.3Low102 Ų10287.3 Ų87.345%0.44743%0.434SS..Hα-helixtrans-68.8-37.6179.2177.4-107.4000112.5Q443 L444 Q450 M451Q443-F447 WeakPolarHBondContact O-CB 3.11Å; Q443-F447 PolarHBondContact O-N 3.31Å; L444-F447 PolarHBondContact O-N 3.35Å; F447-Q450 PolarHBondContact O-N 2.83Å; F447-M451 HydrophobicContact CD1-CG 4.28Å; F447-M451 HydrophobicContact CD2-CG 4.4Å; F447-M451 HydrophobicContact CE1-CE 3.83Å; F447-M451 HydrophobicContact CE1-CG 3.9Å; F447-M451 HydrophobicContact CE1-SD 4.22Å; F447-M451 HydrophobicContact CE2-CG 4.02Å; F447-M451 HydrophobicContact CZ-CE 4.03Å; F447-M451 HydrophobicContact CZ-CG 3.75Å; F447-M451 HydrophobicContact CZ-SD 3.89Å; F447-M451 VanDerWaalsContact O-CB 3.23Å; F447-M451 WeakPolarHBondContact O-CB 3.27Å; F447-M451 VanDerWaalsContact O-CG 3.24Å; F447-M451 WeakPolarHBondContact O-CG 3.25Å; F447-M451 PolarHBondContact O-N 3.21Å
448L64.3Low61.3Low32 Ų3287.8 Ų87.817%0.16844%0.443CS..Hα-helixtrans-75.2-40.5178.3-170.6165.1000110.4A414 P417 L444 Q450 M451 Q452A414-L448 HydrophobicContact CB-CD2 3.82Å; A414-L448 HydrophobicContact CB-CG 4.31Å; P417-L448 HydrophobicContact CB-CD1 4.43Å; L444-L448 WeakPolarHBondContact O-CB 3.23Å; L444-L448 PolarHBondContact O-N 3.43Å; L448-Q450 VanDerWaalsContact C-N 3.28Å; L448-Q450 PolarHBondContact O-N 3.5Å; L448-M451 PolarHBondContact O-N 2.83Å; L448-Q452 WeakPolarHBondContact O-CB 3.4Å; L448-Q452 PolarHBondContact O-N 2.95Å
449Q63.4Low61.1Low112 Ų11286.8 Ų86.852%0.52344%0.441SS..Hα-helixtrans-61.6-38.3167.9-167.476.887.500111.2P445 Q452 N453P445-Q449 WeakPolarHBondContact O-CB 3.41Å; P445-Q449 PolarHBondContact O-N 3.42Å; Q449-Q452 PolarHBondContact O-N 2.84Å; Q449-N453 PolarHBondContact O-N 3.44Å; Q449-N453 PolarHBondContact O-ND2 3.26Å
450Q54.1Low61Low116 Ų11683.8 Ų83.854%0.54243%0.428SS..Hα-helixtrans-64-55.7174.8-171.3151.842.600110.4V446 F447 L448 Q452 N453 S456V446-Q450 WeakPolarHBondContact O-CB 3.39Å; V446-Q450 PolarHBondContact O-N 3.29Å; F447-Q450 PolarHBondContact O-N 2.83Å; L448-Q450 VanDerWaalsContact C-N 3.28Å; L448-Q450 PolarHBondContact O-N 3.5Å; Q450-Q452 PolarHBondContact O-N 3.32Å; Q450-N453 WeakPolarHBondContact O-CA 3.36Å; Q450-N453 WeakPolarHBondContact O-CB 3.47Å; Q450-N453 PolarHBondContact O-N 2.79Å; Q450-N453 PolarHBondContact O-ND2 3.1Å; Q450-S456 VanDerWaalsContact C-OG 3.28Å; Q450-S456 WeakPolarHBondContact O-CB 3.08Å; Q450-S456 PolarHBondContact O-OG 3.18Å
451M48.2Very low61.4Low38 Ų3884.2 Ų84.219%0.18743%0.433CS..Hα-helixtrans-56.4-25.7175.6-79.9-108.5-78.500114.7M410 F447 L448 N453 S456 L457 L460M410-M451 HydrophobicContact CE-CB 3.87Å; M410-M451 HydrophobicContact CE-CE 3.56Å; M410-M451 HydrophobicContact CE-CG 4.3Å; M410-M451 HydrophobicContact CE-SD 3.47Å; M410-M451 WeakPolarHBondContact CE-SD 3.45Å; M410-M451 HydrophobicContact CG-CE 4.16Å; M410-M451 HydrophobicContact SD-CE 3.87Å; M410-M451 HydrophobicContact SD-SD 4.32Å; F447-M451 HydrophobicContact CD1-CG 4.28Å; F447-M451 HydrophobicContact CD2-CG 4.4Å; F447-M451 HydrophobicContact CE1-CE 3.83Å; F447-M451 HydrophobicContact CE1-CG 3.9Å; F447-M451 HydrophobicContact CE1-SD 4.22Å; F447-M451 HydrophobicContact CE2-CG 4.02Å; F447-M451 HydrophobicContact CZ-CE 4.03Å; F447-M451 HydrophobicContact CZ-CG 3.75Å; F447-M451 HydrophobicContact CZ-SD 3.89Å; F447-M451 VanDerWaalsContact O-CB 3.23Å; F447-M451 WeakPolarHBondContact O-CB 3.27Å; F447-M451 VanDerWaalsContact O-CG 3.24Å; F447-M451 WeakPolarHBondContact O-CG 3.25Å; F447-M451 PolarHBondContact O-N 3.21Å; L448-M451 PolarHBondContact O-N 2.83Å; M451-N453 VanDerWaalsContact C-N 3.33Å; M451-S456 VanDerWaalsContact CA-OG 3.3Å; M451-S456 WeakPolarHBondContact CA-OG 3.26Å; M451-L457 WeakPolarHBondContact O-CD1 3.14Å; M451-L460 HydrophobicContact SD-CD1 4.09Å
452Q61.5Low61Low105 Ų10579.8 Ų79.849%0.49142%0.422SS..Hα-helixtrans-77.8-16.9173.5-169.3173.190.200112.4L448 Q449 Q450L448-Q452 WeakPolarHBondContact O-CB 3.4Å; L448-Q452 PolarHBondContact O-N 2.95Å; Q449-Q452 PolarHBondContact O-N 2.84Å; Q450-Q452 PolarHBondContact O-N 3.32Å
453N52.2Low60.9Low84 Ų8476.8 Ų76.845%0.44941%0.411SS..SBendtrans-73.1130.1170.4-67.5-64.9000110.5Q449 Q450 M451 E455 S456 L457Q449-N453 PolarHBondContact O-N 3.44Å; Q449-N453 PolarHBondContact O-ND2 3.26Å; Q450-N453 WeakPolarHBondContact O-CA 3.36Å; Q450-N453 WeakPolarHBondContact O-CB 3.47Å; Q450-N453 PolarHBondContact O-N 2.79Å; Q450-N453 PolarHBondContact O-ND2 3.1Å; M451-N453 VanDerWaalsContact C-N 3.33Å; N453-E455 PolarHBondContact O-N 2.84Å; N453-S456 PolarHBondContact O-N 3.41Å; N453-S456 VanDerWaalsContact O-N 3.1Å; N453-S456 PolarHBondContact O-OG 3.1Å; N453-L457 PolarHBondContact O-N 3.48Å
454P63.8Low62Low97 Ų9781.1 Ų81.163%0.6342%0.422SS*.Hα-helixtrans-61.6-31.8-179.425-33.8000112.4S456 L457 S458P454-S456 PolarHBondContact O-N 2.87Å; P454-L457 PolarHBondContact O-N 2.93Å; P454-S458 WeakPolarHBondContact O-CB 3.44Å; P454-S458 PolarHBondContact O-N 3.05Å; P454-S458 PolarHBondContact O-OG 3.43Å; P454-S458 VanDerWaalsContact O-OG 3.07Å
455E63.8Low62.2Low139 Ų13980.8 Ų80.865%0.6542%0.424SS*.Hα-helixtrans-63.9-36175.4-81.8-75.996.800113.5N453 S458 I459N453-E455 PolarHBondContact O-N 2.84Å; E455-S458 CarbonylContact O-C 3.43Å; E455-S458 WeakPolarHBondContact O-CB 3.19Å; E455-S458 PolarHBondContact O-N 2.97Å; E455-I459 WeakPolarHBondContact O-CG1 3.47Å; E455-I459 PolarHBondContact O-N 3.21Å
456S61.8Low62Low20 Ų2081.6 Ų81.614%0.1442%0.422CS..Hα-helixtrans-76.2-37.3177.884.60000111.2Q450 M451 N453 P454 S458 I459 L460Q450-S456 VanDerWaalsContact C-OG 3.28Å; Q450-S456 WeakPolarHBondContact O-CB 3.08Å; Q450-S456 PolarHBondContact O-OG 3.18Å; M451-S456 VanDerWaalsContact CA-OG 3.3Å; M451-S456 WeakPolarHBondContact CA-OG 3.26Å; N453-S456 PolarHBondContact O-N 3.41Å; N453-S456 VanDerWaalsContact O-N 3.1Å; N453-S456 PolarHBondContact O-OG 3.1Å; P454-S456 PolarHBondContact O-N 2.87Å; S456-S458 PolarHBondContact O-N 3.29Å; S456-I459 PolarHBondContact O-N 3.23Å; S456-I459 VanDerWaalsContact O-N 3.14Å; S456-L460 WeakPolarHBondContact O-CB 3.22Å; S456-L460 PolarHBondContact O-N 3.12Å
457L59.5Low62.1Low29 Ų2983.3 Ų83.315%0.15242%0.423CS..Hα-helixtrans-58.9-38.4168.7-103.8163.5000110.1M410 M451 N453 P454 L460 T461M410-L457 HydrophobicContact CE-CD1 3.99Å; M410-L457 HydrophobicContact CE-CD2 3.9Å; M410-L457 HydrophobicContact CE-CG 3.89Å; M410-L457 HydrophobicContact SD-CD2 4.45Å; M451-L457 WeakPolarHBondContact O-CD1 3.14Å; N453-L457 PolarHBondContact O-N 3.48Å; P454-L457 PolarHBondContact O-N 2.93Å; L457-L460 PolarHBondContact O-N 2.79Å; L457-T461 WeakPolarHBondContact O-CB 3.42Å; L457-T461 PolarHBondContact O-N 3.07Å; L457-T461 PolarHBondContact O-OG1 2.81Å
458S63.8Low62.5Low64 Ų6480.4 Ų80.445%0.44842%0.418SS..Hα-helixtrans-68.5-34.9172.1-67.40000113.2P454 E455 S456 N462P454-S458 WeakPolarHBondContact O-CB 3.44Å; P454-S458 PolarHBondContact O-N 3.05Å; P454-S458 PolarHBondContact O-OG 3.43Å; P454-S458 VanDerWaalsContact O-OG 3.07Å; E455-S458 CarbonylContact O-C 3.43Å; E455-S458 WeakPolarHBondContact O-CB 3.19Å; E455-S458 PolarHBondContact O-N 2.97Å; S456-S458 PolarHBondContact O-N 3.29Å; S458-N462 WeakPolarHBondContact O-CA 3.26Å; S458-N462 WeakPolarHBondContact O-CB 3.3Å; S458-N462 PolarHBondContact O-N 2.8Å
459I64.4Low62.6Low79 Ų7983.3 Ų83.341%0.40543%0.433SS..Hα-helixtrans-68.7-35.6173.1-73.9163.5000111.9E455 S456 A465 L469E455-I459 WeakPolarHBondContact O-CG1 3.47Å; E455-I459 PolarHBondContact O-N 3.21Å; S456-I459 PolarHBondContact O-N 3.23Å; S456-I459 VanDerWaalsContact O-N 3.14Å; I459-A465 HydrophobicContact CB-CB 4.33Å; I459-A465 HydrophobicContact CG1-CB 4.39Å; I459-A465 HydrophobicContact CG2-CB 4.06Å; I459-L469 HydrophobicContact CG2-CD1 4.36Å
460L58Low62.8Low67 Ų6783.2 Ų83.235%0.35144%0.436SS..Hα-helixtrans-79.9-30178.5-147158.3000111.7I401 M451 S456 L457I401-L460 HydrophobicContact CD1-CD2 4.3Å; I401-L460 HydrophobicContact CG2-CD2 4.22Å; M451-L460 HydrophobicContact SD-CD1 4.09Å; S456-L460 WeakPolarHBondContact O-CB 3.22Å; S456-L460 PolarHBondContact O-N 3.12Å; L457-L460 PolarHBondContact O-N 2.79Å
461T65.9Low63.8Low62 Ų6284.7 Ų84.738%0.3844%0.443SS..Hα-helixtrans-87.4-13.4174.8-510000112.7L457 P463L457-T461 WeakPolarHBondContact O-CB 3.42Å; L457-T461 PolarHBondContact O-N 3.07Å; L457-T461 PolarHBondContact O-OG1 2.81Å; T461-P463 VanDerWaalsContact O-CD 3.28Å; T461-P463 WeakPolarHBondContact O-CD 3.47Å
462N57.3Low65Low76 Ų7687.8 Ų87.841%0.40646%0.459SS..  trans-93.2105.4175-179.3-15000109.4S458 R464 A465 M466S458-N462 WeakPolarHBondContact O-CA 3.26Å; S458-N462 WeakPolarHBondContact O-CB 3.3Å; S458-N462 PolarHBondContact O-N 2.8Å; N462-R464 PolarHBondContact O-N 2.72Å; N462-R464 VanDerWaalsContact O-N 3.12Å; N462-R464 WeakPolarHBondContact OD1-CB 3.25Å; N462-R464 PolarHBondContact OD1-N 3.38Å; N462-R464 VanDerWaalsContact OD1-N 3.09Å; N462-A465 HydrophobicContact CB-CB 3.88Å; N462-A465 WeakPolarHBondContact O-CB 3.45Å; N462-A465 PolarHBondContact O-N 2.95Å; N462-A465 PolarHBondContact OD1-N 3.39Å; N462-M466 PolarHBondContact O-N 3.19Å; N462-M466 VanDerWaalsContact O-N 3.12Å
463P64.9Low64.6Low71 Ų7188.3 Ų88.346%0.46146%0.461SS..Hα-helixtrans-63.3-25.2-174.324.8-34.3000113T461 Q467T461-P463 VanDerWaalsContact O-CD 3.28Å; T461-P463 WeakPolarHBondContact O-CD 3.47Å; P463-Q467 WeakPolarHBondContact O-CB 3.49Å; P463-Q467 WeakPolarHBondContact O-CG 3.47Å; P463-Q467 PolarHBondContact O-N 2.78Å
464R75.8Confident65.3Low201 Ų20191.2 Ų91.276%0.75847%0.472SS*.Hα-helixtrans-74.4-32.5173.8-60.8-172.4-168.6-163.23.2112.4N462 A468N462-R464 PolarHBondContact O-N 2.72Å; N462-R464 VanDerWaalsContact O-N 3.12Å; N462-R464 WeakPolarHBondContact OD1-CB 3.25Å; N462-R464 PolarHBondContact OD1-N 3.38Å; N462-R464 VanDerWaalsContact OD1-N 3.09Å; R464-A468 VanDerWaalsContact O-CB 3.24Å; R464-A468 WeakPolarHBondContact O-CB 3.45Å; R464-A468 PolarHBondContact O-N 3.24Å
465A67.2Low65.4Low22 Ų2288 Ų8818%0.18246%0.456CS..Hα-helixtrans-71.5-38.6176.200000110.7I459 N462 A468 L469I459-A465 HydrophobicContact CB-CB 4.33Å; I459-A465 HydrophobicContact CG1-CB 4.39Å; I459-A465 HydrophobicContact CG2-CB 4.06Å; N462-A465 HydrophobicContact CB-CB 3.88Å; N462-A465 WeakPolarHBondContact O-CB 3.45Å; N462-A465 PolarHBondContact O-N 2.95Å; N462-A465 PolarHBondContact OD1-N 3.39Å; A465-A468 PolarHBondContact O-N 2.97Å; A465-L469 VanDerWaalsContact O-CB 3.22Å; A465-L469 WeakPolarHBondContact O-CB 3.21Å; A465-L469 PolarHBondContact O-N 3.24Å
466M59.8Low65.6Low99 Ų9985 Ų8549%0.48845%0.445SS..Hα-helixtrans-67.9-39.1171.9-165.9-179.9178.600112.7N462 L469 L470N462-M466 PolarHBondContact O-N 3.19Å; N462-M466 VanDerWaalsContact O-N 3.12Å; M466-L469 PolarHBondContact O-N 3Å; M466-L470 PolarHBondContact O-N 3.41Å
467Q73.1Confident65.6Low135 Ų13589.3 Ų89.363%0.63146%0.462SS*.Hα-helixtrans-62.3-45.2171.8-80.9176.9-13.400112.3P463 L469 L470 Q471P463-Q467 WeakPolarHBondContact O-CB 3.49Å; P463-Q467 WeakPolarHBondContact O-CG 3.47Å; P463-Q467 PolarHBondContact O-N 2.78Å; Q467-L469 VanDerWaalsContact C-N 3.3Å; Q467-L469 PolarHBondContact O-N 2.97Å; Q467-L470 PolarHBondContact O-N 2.82Å; Q467-Q471 WeakPolarHBondContact O-CB 3.31Å; Q467-Q471 PolarHBondContact O-N 3.41Å
468A70.3Confident65.9Low41 Ų4191 Ų9134%0.33947%0.474SS..Hα-helixtrans-62.4-37.5174.200000111.6R464 A465 Q471 I472R464-A468 VanDerWaalsContact O-CB 3.24Å; R464-A468 WeakPolarHBondContact O-CB 3.45Å; R464-A468 PolarHBondContact O-N 3.24Å; A465-A468 PolarHBondContact O-N 2.97Å; A468-Q471 CarbonylContact O-C 3.54Å; A468-Q471 PolarHBondContact O-N 2.87Å; A468-I472 VanDerWaalsContact O-CB 3.31Å; A468-I472 WeakPolarHBondContact O-CB 3.42Å; A468-I472 WeakPolarHBondContact O-CD1 3.09Å; A468-I472 WeakPolarHBondContact O-CG1 3.48Å; A468-I472 PolarHBondContact O-N 3.21Å
469L66.2Low65.7Low92 Ų9292 Ų9248%0.48247%0.474SS..Hα-helixtrans-71.1-35.1178.1-163.1150.4000112.1I459 A465 M466 Q467 I472 Q473I459-L469 HydrophobicContact CG2-CD1 4.36Å; A465-L469 VanDerWaalsContact O-CB 3.22Å; A465-L469 WeakPolarHBondContact O-CB 3.21Å; A465-L469 PolarHBondContact O-N 3.24Å; M466-L469 PolarHBondContact O-N 3Å; Q467-L469 VanDerWaalsContact C-N 3.3Å; Q467-L469 PolarHBondContact O-N 2.97Å; L469-I472 PolarHBondContact O-N 2.84Å; L469-Q473 WeakPolarHBondContact O-CB 3.46Å; L469-Q473 PolarHBondContact O-N 3.21Å
470L66.3Low65.3Low110 Ų11093.2 Ų93.258%0.57648%0.478SS*.Hα-helixtrans-66.1-41.9170.7-160.781.5000111.2M466 Q467 I472 Q473 Q474M466-L470 PolarHBondContact O-N 3.41Å; Q467-L470 PolarHBondContact O-N 2.82Å; L470-I472 VanDerWaalsContact C-N 3.33Å; L470-Q473 PolarHBondContact O-N 3.17Å; L470-Q474 WeakPolarHBondContact O-CB 3.16Å; L470-Q474 PolarHBondContact O-N 3.48Å
471Q75.6Confident65.4Low148 Ų14895.7 Ų95.769%0.69250%0.496SS*.Hα-helixtrans-65.8-34.5174.6-168172.62000112.1Q467 A468 G475Q467-Q471 WeakPolarHBondContact O-CB 3.31Å; Q467-Q471 PolarHBondContact O-N 3.41Å; A468-Q471 CarbonylContact O-C 3.54Å; A468-Q471 PolarHBondContact O-N 2.87Å; Q471-G475 PolarHBondContact O-N 2.93Å
472I72.9Confident64.6Low103 Ų10399.9 Ų99.953%0.52851%0.511SS..Hα-helixtrans-73.5-37172.9-73.7161.7000111.3A468 L469 L470 G475 L476A468-I472 VanDerWaalsContact O-CB 3.31Å; A468-I472 WeakPolarHBondContact O-CB 3.42Å; A468-I472 WeakPolarHBondContact O-CD1 3.09Å; A468-I472 WeakPolarHBondContact O-CG1 3.48Å; A468-I472 PolarHBondContact O-N 3.21Å; L469-I472 PolarHBondContact O-N 2.84Å; L470-I472 VanDerWaalsContact C-N 3.33Å; I472-G475 CarbonylContact O-C 3.17Å; I472-G475 PolarHBondContact O-N 3.09Å; I472-L476 HydrophobicContact CG2-CD1 4.15Å; I472-L476 VanDerWaalsContact O-CB 3.29Å; I472-L476 WeakPolarHBondContact O-CB 3.14Å; I472-L476 PolarHBondContact O-N 3.49Å
473Q53.7Low64.3Low116 Ų11698 Ų9854%0.54251%0.507SS..Hα-helixtrans-64.7-46.7175.2-174.1-175.7101.800110.3L469 L470 L476 Q477L469-Q473 WeakPolarHBondContact O-CB 3.46Å; L469-Q473 PolarHBondContact O-N 3.21Å; L470-Q473 PolarHBondContact O-N 3.17Å; Q473-L476 PolarHBondContact O-N 2.95Å; Q473-Q477 PolarHBondContact O-N 2.97Å
474Q68.3Low63.5Low144 Ų14499.8 Ų99.867%0.67352%0.518SS*.Hα-helixtrans-63-42.8173.8-165.1167.596.300111L470 L476 Q477 T478L470-Q474 WeakPolarHBondContact O-CB 3.16Å; L470-Q474 PolarHBondContact O-N 3.48Å; Q474-L476 PolarHBondContact O-N 2.88Å; Q474-Q477 WeakPolarHBondContact O-CB 3.49Å; Q474-Q477 PolarHBondContact O-N 3.37Å; Q474-T478 PolarHBondContact O-N 3.42Å; Q474-T478 PolarHBondContact O-OG1 3.4Å; Q474-T478 VanDerWaalsContact O-OG1 3.1Å
475G65.5Low62.7Low29 Ų2993 Ų9330%0.29951%0.511SS..Hα-helixtrans-63.2-33.9174.500000114.3Q471 I472 T478 L479Q471-G475 PolarHBondContact O-N 2.93Å; I472-G475 CarbonylContact O-C 3.17Å; I472-G475 PolarHBondContact O-N 3.09Å; G475-T478 PolarHBondContact O-N 3.12Å; G475-L479 WeakPolarHBondContact O-CB 3.46Å; G475-L479 PolarHBondContact O-N 3.12Å
476L66.9Low62.2Low77 Ų7798 Ų9840%0.40353%0.534SS..Hα-helixtrans-76.2-31.9173.3-99.9164.2000112I472 Q473 Q474 T478 L479 Q480 V487I472-L476 HydrophobicContact CG2-CD1 4.15Å; I472-L476 VanDerWaalsContact O-CB 3.29Å; I472-L476 WeakPolarHBondContact O-CB 3.14Å; I472-L476 PolarHBondContact O-N 3.49Å; Q473-L476 PolarHBondContact O-N 2.95Å; Q474-L476 PolarHBondContact O-N 2.88Å; L476-T478 VanDerWaalsContact C-N 3.34Å; L476-L479 PolarHBondContact O-N 2.72Å; L476-Q480 VanDerWaalsContact O-CB 3.27Å; L476-Q480 WeakPolarHBondContact O-CB 3.49Å; L476-Q480 WeakPolarHBondContact O-CG 3.46Å; L476-Q480 PolarHBondContact O-N 2.77Å; L476-V487 HydrophobicContact CD2-CG1 3.81Å
477Q63.3Low62.2Low110 Ų11097.1 Ų97.151%0.51453%0.534SS..Hα-helixtrans-64.1-43.3169.2-14384.872.800109.9Q473 Q474 T481Q473-Q477 PolarHBondContact O-N 2.97Å; Q474-Q477 WeakPolarHBondContact O-CB 3.49Å; Q474-Q477 PolarHBondContact O-N 3.37Å; Q477-T481 WeakPolarHBondContact O-CB 3.31Å; Q477-T481 PolarHBondContact O-N 3.14Å; Q477-T481 PolarHBondContact O-OG1 2.85Å
478T66Low61.4Low64 Ų6496 Ų9639%0.39354%0.538SS..Hα-helixtrans-63.7-46.9172.9-55.60000111.5Q474 G475 L476 Q480 T481 E482Q474-T478 PolarHBondContact O-N 3.42Å; Q474-T478 PolarHBondContact O-OG1 3.4Å; Q474-T478 VanDerWaalsContact O-OG1 3.1Å; G475-T478 PolarHBondContact O-N 3.12Å; L476-T478 VanDerWaalsContact C-N 3.34Å; T478-Q480 PolarHBondContact O-N 3.38Å; T478-T481 CarbonylContact O-C 3.59Å; T478-T481 WeakPolarHBondContact O-CA 3.39Å; T478-T481 WeakPolarHBondContact O-CB 3.34Å; T478-T481 PolarHBondContact O-N 2.86Å; T478-E482 HydrophobicContact CG2-CG 4.19Å; T478-E482 WeakPolarHBondContact O-CB 3.41Å; T478-E482 WeakPolarHBondContact O-CG 3.4Å; T478-E482 PolarHBondContact O-N 3.15Å
479L58.1Low60.6Low86 Ų8698.8 Ų98.845%0.4556%0.555SS.*Hα-helixtrans-67.3-32.1177.3-93.7147.9000113.9G475 L476 T481 A483G475-L479 WeakPolarHBondContact O-CB 3.46Å; G475-L479 PolarHBondContact O-N 3.12Å; L476-L479 PolarHBondContact O-N 2.72Å; L479-T481 VanDerWaalsContact C-N 3.26Å; L479-A483 HydrophobicContact CD2-CB 4.34Å; L479-A483 CarbonylContact O-C 3.59Å; L479-A483 WeakPolarHBondContact O-CA 3.4Å; L479-A483 PolarHBondContact O-N 3.36Å
480Q56Low60.2Low105 Ų105100.7 Ų100.749%0.49157%0.565SS.*Hα-helixtrans-67.9-28.6168.4-81.3-176.3-27.200112.1L476 T478L476-Q480 VanDerWaalsContact O-CB 3.27Å; L476-Q480 WeakPolarHBondContact O-CB 3.49Å; L476-Q480 WeakPolarHBondContact O-CG 3.46Å; L476-Q480 PolarHBondContact O-N 2.77Å; T478-Q480 PolarHBondContact O-N 3.38Å
481T59.9Low59.5Low119 Ų11999.4 Ų99.473%0.7358%0.578SS**Hα-helixtrans-81.7-35.3177.1-53.40000112.1Q477 T478 L479Q477-T481 WeakPolarHBondContact O-CB 3.31Å; Q477-T481 PolarHBondContact O-N 3.14Å; Q477-T481 PolarHBondContact O-OG1 2.85Å; T478-T481 CarbonylContact O-C 3.59Å; T478-T481 WeakPolarHBondContact O-CA 3.39Å; T478-T481 WeakPolarHBondContact O-CB 3.34Å; T478-T481 PolarHBondContact O-N 2.86Å; L479-T481 VanDerWaalsContact C-N 3.26Å
482E49.8Very low58.5Low149 Ų14997.4 Ų97.470%0.69658%0.581SS**Hα-helixtrans-96.6-31.6-175.4-68.2-174.2145.800114.3T478T478-E482 HydrophobicContact CG2-CG 4.19Å; T478-E482 WeakPolarHBondContact O-CB 3.41Å; T478-E482 WeakPolarHBondContact O-CG 3.4Å; T478-E482 PolarHBondContact O-N 3.15Å
483A51.3Low57.4Low38 Ų38101.6 Ų101.631%0.31460%0.595SS.*  trans-149.270.8-173.300000113.3L479 G485L479-A483 HydrophobicContact CD2-CB 4.34Å; L479-A483 CarbonylContact O-C 3.59Å; L479-A483 WeakPolarHBondContact O-CA 3.4Å; L479-A483 PolarHBondContact O-N 3.36Å; A483-G485 PolarHBondContact O-N 3.43Å
484P47.7Very low57Low107 Ų10799.8 Ų99.870%0.69561%0.608SS**THydrogen-bonded Turntrans-66.815.3-174.527.2-36.2000116.6
485G58.8Low55.9Low59 Ų59101.3 Ų101.361%0.60862%0.617SS**THydrogen-bonded Turntrans-105.7-13.9-174.500000117.2A483A483-G485 PolarHBondContact O-N 3.43Å
486L56.9Low54.5Low128 Ų128104.8 Ų104.867%0.6764%0.637SS**SBendtrans-99.7-14.7-165.4-61.2179000115.5
487V59.3Low53.2Low79 Ų79112.8 Ų112.848%0.47966%0.662SS.*THydrogen-bonded Turntrans-70.6-19.3-174.8-72.10000117.7L476 S489L476-V487 HydrophobicContact CD2-CG1 3.81Å; V487-S489 VanDerWaalsContact C-N 3.28Å; V487-S489 PolarHBondContact O-N 3.37Å
488P57Low52.2Low112 Ų112113.6 Ų113.673%0.72767%0.674SS**THydrogen-bonded Turntrans-69.2-22.7175.7-18.832.1000114.2
489S53.6Low51Low99 Ų99116.6 Ų116.669%0.69270%0.695SS**THydrogen-bonded Turntrans-92.4-16.1-166.4-167.80000115.1V487V487-S489 VanDerWaalsContact C-N 3.28Å; V487-S489 PolarHBondContact O-N 3.37Å
490L57.1Low49.9Very low133 Ų133116.8 Ų116.870%0.69671%0.709SS**THydrogen-bonded Turntrans-102.3-13.9-171.6-16258.4000114.2S492 F493L490-S492 PolarHBondContact O-N 3.45Å; L490-F493 PolarHBondContact O-N 2.82Å
491G50.8Low49Very low82 Ų82117.9 Ų117.985%0.84573%0.725SS**THydrogen-bonded Turntrans-69.13173.500000115.3
492S55.7Low48Very low107 Ų107118 Ų11875%0.74873%0.73SS**THydrogen-bonded Turntrans-105.2-1-177.9-155.30000114L490L490-S492 PolarHBondContact O-N 3.45Å
493F49.3Very low47.1Very low190 Ų190116.1 Ų116.183%0.83374%0.741SS**SBendtrans-96.794.4174-105.8-94.9000110.3L490L490-F493 PolarHBondContact O-N 2.82Å
494G46.6Very low46Very low78 Ų78118.2 Ų118.280%0.80477%0.766SS**SBendtrans170.9-21.8174.700000117.9
495M43.3Very low45.4Very low177 Ų177118.6 Ų118.687%0.87277%0.771SS**SBendtrans-95.3122.5177.9-157.868.1-178.200111.3R497M495-R497 PolarHBondContact O-N 2.76Å
496S36.3Very low44.1Very low102 Ų102123.4 Ų123.471%0.71378%0.783SS**  trans-59.8114.1178.251.60000111.9T498S496-T498 PolarHBondContact O-N 2.92Å
497R39.9Very low42.8Very low244 Ų244122 Ų12292%0.92179%0.79SS**PPolyproline II helixtrans-67.9121165.6-72.8-175.4175.9-151.2-0.8109.5M495M495-R497 PolarHBondContact O-N 2.76Å
498T42.5Very low41.3Very low128 Ų128121.7 Ų121.779%0.78580%0.803SS**PPolyproline II helixtrans-71.2143.4161.644.10000109.8S496S496-T498 PolarHBondContact O-N 2.92Å
499P40.7Very low40.1Very low126 Ų126121.6 Ų121.682%0.81881%0.805SS**PPolyproline II helixtrans-78.3146.1-178.931.4-34.3000111.9
500A35.5Very low39Very low90 Ų90123.5 Ų123.574%0.74481%0.812SS**PPolyproline II helixtrans-82146.6174.900000112
501P37.6Very low38.9Very low129 Ų129122.6 Ų122.684%0.83882%0.815SS**PPolyproline II helixtrans-90.4130.2156.633.3-27.9000110.5
502S38.1Very low37.7Very low120 Ų120128.1 Ų128.184%0.83982%0.818SS**PPolyproline II helixtrans-97.8127.6176.1-54.10000111.2
503A30.5Very low36.7Very low110 Ų110126.9 Ų126.991%0.90981%0.814SS**  trans-174.714515200000111.7
504G29.7Very low36.7Very low82 Ų82122.9 Ų122.985%0.84581%0.808SS**  trans11975.7160.800000116.5
505S33.2Very low36.1Very low115 Ų115125 Ų12580%0.80481%0.805SS**  trans-81140.2170.3-50.20000112.3
506N32.6Very low35.4Very low160 Ų160122.4 Ų122.486%0.85680%0.804SS**  trans178.6110.3145.9-88.1-22.4000106.9
507A28.8Very low35.3Very low100 Ų100123.2 Ų123.283%0.82681%0.81SS**  73.910865.300000113.9
508G28.3Very low35.8Very low72 Ų72117.5 Ų117.574%0.74280%0.804SS**  trans150.496.4164.800000118.3
509S31.6Very low35Very low110 Ų110116.2 Ų116.277%0.76981%0.807SS**  trans60.298.5137-45.30000122.9
510T32Very low34.6Very low138 Ų138116.7 Ų116.785%0.84781%0.807SS**  49.2160.3111.155.90000122.8
511P53.7Low34.9Very low115 Ų115118.1 Ų118.175%0.74781%0.809SS**  trans-121.7174.9-138.943.4-32.9000116
512E26.5Very low34.5Very low198 Ų198116.3 Ų116.393%0.92581%0.805SS**  trans-174.7162.8143.1-113.5177.485.300114.9
513A34Very low34.1Very low80 Ų80117.7 Ų117.766%0.66181%0.809SS**  trans-142.4170.6163.300000106.4
514P49.9Very low34.2Very low107 Ų107118 Ų11870%0.69580%0.804SS**  cis-143.3-174.113.539.2-16.7000116.5
515T32.9Very low34.4Very low123 Ų123119.6 Ų119.676%0.75580%0.802SS**  trans48.5120.7150.5530000122.2
516S29.5Very low34.8Very low122 Ų122119.5 Ų119.585%0.85380%0.799SS**  168.7135.1113-73.80000114
517S33.2Very low34.8Very low118 Ų118118.6 Ų118.683%0.82580%0.799SS**  trans-92.2175160.1-61.60000109.4
518P50.4Low35.5Very low124 Ų124117.9 Ų117.981%0.80580%0.802SS**  cis-140.1168.912.942.5-24.9000117.1
519A26.9Very low36.2Very low101 Ų101118.9 Ų118.984%0.83580%0.803SS**  trans-178.4134.4139.800000112.6
520T32.1Very low36.9Very low136 Ų136116.7 Ų116.783%0.83479%0.788SS**  trans-107167.7160.248.20000107.9
521P41.8Very low37.8Very low121 Ų121114.5 Ų114.579%0.78678%0.778SS**  cis-142.7-172.422.843.2-23.5000117.5
522A28.7Very low37.8Very low90 Ų90112.8 Ų112.874%0.74477%0.773SS**SBendtrans97.8115.6157.100000118.7
523T29.9Very low39Very low150 Ų150110.2 Ų110.292%0.9276%0.762SS**  trans8569.9161.1-26.70000117.2
524S32.5Very low40Very low115 Ų115112.1 Ų112.180%0.80476%0.757SS**  trans-118.2128.6159.353.90000111.1
525S34.3Very low40.4Very low116 Ų116114.3 Ų114.381%0.81176%0.758SS**  trans-74.3133.1166.635.50000110.1
526P40.3Very low41.7Very low114 Ų114113.9 Ų113.974%0.7475%0.75SS**  trans-94.5125.7174.933.9-29.6000111
527T33.3Very low43.1Very low140 Ų140113.6 Ų113.686%0.85974%0.737SS**  trans169.491.8130.731.50000111.3
528G43Very low44.3Very low86 Ų86114.4 Ų114.489%0.88773%0.727SS**  trans-103.386.3162.900000110.2
529A43.9Very low44.7Very low92 Ų92114.7 Ų114.776%0.7672%0.718SS**  trans-163.364.217800000112.6
530S45.8Very low46Very low65 Ų65115.3 Ų115.346%0.45571%0.705SS.*  trans-156.95.4-179.146.60000117.1Q534S530-Q534 WeakPolarHBondContact O-CB 3.3Å; S530-Q534 VanDerWaalsContact O-CG 3.31Å; S530-Q534 WeakPolarHBondContact O-CG 3.44Å; S530-Q534 PolarHBondContact O-N 2.96Å
531S51.6Low47.5Very low92 Ų92113.2 Ų113.264%0.64369%0.688SS**Hα-helixtrans-72.2-43.1178.9490000113.7Q533 Q534 Q535S531-Q533 VanDerWaalsContact C-N 3.32Å; S531-Q533 PolarHBondContact O-N 3.35Å; S531-Q534 PolarHBondContact O-N 3.29Å; S531-Q535 PolarHBondContact O-N 3.36Å
532A53.2Low48.2Very low78 Ų78113.6 Ų113.665%0.64568%0.679SS**Hα-helixtrans-63.6-38.1176.100000112.2Q535 L536A532-Q535 PolarHBondContact O-N 3.31Å; A532-L536 WeakPolarHBondContact O-CB 3.41Å; A532-L536 PolarHBondContact O-N 3.43Å
533Q52.4Low49.4Very low145 Ų145114.9 Ų114.968%0.67867%0.673SS**Hα-helixtrans-72.4-31.6176.4-168.7169.6-36.400112S531 M537S531-Q533 VanDerWaalsContact C-N 3.32Å; S531-Q533 PolarHBondContact O-N 3.35Å; Q533-M537 WeakPolarHBondContact O-CB 3.22Å; Q533-M537 PolarHBondContact O-N 2.88Å
534Q55Low50.3Low120 Ų120112.4 Ų112.456%0.56165%0.653SS**Hα-helixtrans-69.4-35.6171.1-79.4174.5-5.800112.6S530 S531 M537 Q538S530-Q534 WeakPolarHBondContact O-CB 3.3Å; S530-Q534 VanDerWaalsContact O-CG 3.31Å; S530-Q534 WeakPolarHBondContact O-CG 3.44Å; S530-Q534 PolarHBondContact O-N 2.96Å; S531-Q534 PolarHBondContact O-N 3.29Å; Q534-M537 CarbonylContact O-C 3.57Å; Q534-M537 PolarHBondContact O-N 3.46Å; Q534-Q538 PolarHBondContact O-N 3.4Å
535Q58Low51Low152 Ų152110.3 Ų110.371%0.7164%0.643SS**Hα-helixtrans-74-36.4177-151.5157.6-3600112S531 A532 M537 Q538 Q539S531-Q535 PolarHBondContact O-N 3.36Å; A532-Q535 PolarHBondContact O-N 3.31Å; Q535-M537 VanDerWaalsContact C-N 3.33Å; Q535-Q538 PolarHBondContact O-N 3.43Å; Q535-Q539 WeakPolarHBondContact O-CB 3.24Å; Q535-Q539 PolarHBondContact O-N 3.16Å
536L59.1Low51.7Low114 Ų114107.6 Ų107.660%0.59763%0.634SS**Hα-helixtrans-63.1-38.2165.6-168.498.6000111.5A532 Q539 M540A532-L536 WeakPolarHBondContact O-CB 3.41Å; A532-L536 PolarHBondContact O-N 3.43Å; L536-Q539 CarbonylContact O-C 3.54Å; L536-Q539 PolarHBondContact O-N 2.8Å; L536-M540 WeakPolarHBondContact O-CB 3.23Å; L536-M540 PolarHBondContact O-N 2.88Å
537M59.1Low52.1Low117 Ų117107.5 Ų107.558%0.57664%0.636SS**Hα-helixtrans-71.9-31177.6-170.8168.2176.900112.2Q533 Q534 Q535 I541Q533-M537 WeakPolarHBondContact O-CB 3.22Å; Q533-M537 PolarHBondContact O-N 2.88Å; Q534-M537 CarbonylContact O-C 3.57Å; Q534-M537 PolarHBondContact O-N 3.46Å; Q535-M537 VanDerWaalsContact C-N 3.33Å; M537-I541 HydrophobicContact CG-CD1 4.34Å; M537-I541 WeakPolarHBondContact O-CB 3.02Å; M537-I541 WeakPolarHBondContact O-CD1 3.38Å; M537-I541 PolarHBondContact O-N 2.87Å
538Q58.8Low52.5Low134 Ų134102.6 Ų102.663%0.62661%0.613SS**Hα-helixtrans-69.7-42.8169.9-129.883.293.100111.2Q534 Q535 M540 I541 Q542Q534-Q538 PolarHBondContact O-N 3.4Å; Q535-Q538 PolarHBondContact O-N 3.43Å; Q538-M540 VanDerWaalsContact C-N 3.35Å; Q538-I541 PolarHBondContact O-N 3.33Å; Q538-Q542 PolarHBondContact O-N 3.46Å
539Q58.4Low52.3Low131 Ų131103.5 Ų103.561%0.61260%0.598SS**Hα-helixtrans-70.8-30.4175.8-170129.249.600112.3Q535 L536 Q542 L543Q535-Q539 WeakPolarHBondContact O-CB 3.24Å; Q535-Q539 PolarHBondContact O-N 3.16Å; L536-Q539 CarbonylContact O-C 3.54Å; L536-Q539 PolarHBondContact O-N 2.8Å; Q539-Q542 CarbonylContact O-C 3.59Å; Q539-Q542 PolarHBondContact O-N 3Å; Q539-L543 HydrophobicContact CG-CD1 4.15Å; Q539-L543 WeakPolarHBondContact O-CB 3.31Å; Q539-L543 PolarHBondContact O-N 3.29Å
540M55Low52.1Low114 Ų114104.4 Ų104.456%0.56260%0.598SS**Hα-helixtrans-75.3-32.3171.2-172.4174.6-75.500111.5L536 Q538 Q542 L543 L544L536-M540 WeakPolarHBondContact O-CB 3.23Å; L536-M540 PolarHBondContact O-N 2.88Å; Q538-M540 VanDerWaalsContact C-N 3.35Å; M540-Q542 PolarHBondContact O-N 2.83Å; M540-L543 PolarHBondContact O-N 2.88Å; M540-L544 WeakPolarHBondContact O-CA 3.38Å; M540-L544 WeakPolarHBondContact O-CB 3.08Å; M540-L544 PolarHBondContact O-N 3.08Å
541I62.3Low51.9Low91 Ų91108.5 Ų108.547%0.46761%0.61SS.*Hα-helixtrans-62-36164.4-101.865000110.3M537 Q538 A545M537-I541 HydrophobicContact CG-CD1 4.34Å; M537-I541 WeakPolarHBondContact O-CB 3.02Å; M537-I541 WeakPolarHBondContact O-CD1 3.38Å; M537-I541 PolarHBondContact O-N 2.87Å; Q538-I541 PolarHBondContact O-N 3.33Å; I541-A545 WeakPolarHBondContact O-CB 3.25Å; I541-A545 PolarHBondContact O-N 3.19Å
542Q57.3Low51.5Low130 Ų130109.8 Ų109.861%0.60761%0.614SS**Hα-helixtrans-77.4-29.8178.6-168.256.780.500114Q538 Q539 M540 A545 G546Q538-Q542 PolarHBondContact O-N 3.46Å; Q539-Q542 CarbonylContact O-C 3.59Å; Q539-Q542 PolarHBondContact O-N 3Å; M540-Q542 PolarHBondContact O-N 2.83Å; Q542-A545 CarbonylContact O-C 3.58Å; Q542-G546 PolarHBondContact O-N 3.5Å; Q542-G546 VanDerWaalsContact O-N 3.16Å
543L53.6Low51Low116 Ų116110.4 Ų110.461%0.60760%0.604SS**Hα-helixtrans-86.6-23.9174.1-88.3155.8000112.9Q539 M540 G546 S547Q539-L543 HydrophobicContact CG-CD1 4.15Å; Q539-L543 WeakPolarHBondContact O-CB 3.31Å; Q539-L543 PolarHBondContact O-N 3.29Å; M540-L543 PolarHBondContact O-N 2.88Å; L543-G546 VanDerWaalsContact C-N 3.34Å; L543-G546 CarbonylContact O-C 3.53Å; L543-G546 VanDerWaalsContact O-C 3.28Å; L543-G546 VanDerWaalsContact O-CA 3.31Å; L543-G546 WeakPolarHBondContact O-CA 3.24Å; L543-G546 PolarHBondContact O-N 2.8Å; L543-G546 VanDerWaalsContact O-N 3.11Å; L543-S547 WeakPolarHBondContact O-CB 3.38Å; L543-S547 PolarHBondContact O-N 2.68Å
544L48.7Very low50.8Low98 Ų98107.7 Ų107.751%0.51360%0.597SS.*Hα-helixtrans-80.1-34.3167.7-166.870.7000110.7M540 G546 S547 G548M540-L544 WeakPolarHBondContact O-CA 3.38Å; M540-L544 WeakPolarHBondContact O-CB 3.08Å; M540-L544 PolarHBondContact O-N 3.08Å; L544-G546 PolarHBondContact O-N 3.11Å; L544-S547 PolarHBondContact O-N 3.03Å; L544-G548 CarbonylContact O-C 3.51Å; L544-G548 WeakPolarHBondContact O-CA 3.48Å; L544-G548 PolarHBondContact O-N 3.42Å
545A47.9Very low50.9Low71 Ų71104.3 Ų104.359%0.58759%0.586SS**THydrogen-bonded Turntrans-65.9-5.8158.600000113.1I541 Q542I541-A545 WeakPolarHBondContact O-CB 3.25Å; I541-A545 PolarHBondContact O-N 3.19Å; Q542-A545 CarbonylContact O-C 3.58Å
546G48.9Very low51.1Low60 Ų60102.1 Ų102.162%0.61958%0.575SS**THydrogen-bonded Turntrans-105.5-13.8169.900000115.2Q542 L543 L544Q542-G546 PolarHBondContact O-N 3.5Å; Q542-G546 VanDerWaalsContact O-N 3.16Å; L543-G546 VanDerWaalsContact C-N 3.34Å; L543-G546 CarbonylContact O-C 3.53Å; L543-G546 VanDerWaalsContact O-C 3.28Å; L543-G546 VanDerWaalsContact O-CA 3.31Å; L543-G546 WeakPolarHBondContact O-CA 3.24Å; L543-G546 PolarHBondContact O-N 2.8Å; L543-G546 VanDerWaalsContact O-N 3.11Å; L544-G546 PolarHBondContact O-N 3.11Å
547S49.3Very low51.4Low111 Ų111100.7 Ų100.778%0.77657%0.571SS**THydrogen-bonded Turntrans-157.814.8-170.6-165.10000116.2L543 L544L543-S547 WeakPolarHBondContact O-CB 3.38Å; L543-S547 PolarHBondContact O-N 2.68Å; L544-S547 PolarHBondContact O-N 3.03Å
548G40.7Very low51.9Low38 Ų38101.3 Ų101.339%0.39257%0.567SS.*  trans-16059.5-18000000114.1L544L544-G548 CarbonylContact O-C 3.51Å; L544-G548 WeakPolarHBondContact O-CA 3.48Å; L544-G548 PolarHBondContact O-N 3.42Å
549N38.7Very low52.5Low105 Ų10596.1 Ų96.156%0.56154%0.543SS*.  trans-122.565.3172.9-168.231.5000111.8Q551 V552N549-Q551 PolarHBondContact O-N 2.8Å; N549-V552 PolarHBondContact OD1-N 3.41Å
550S40.1Very low53.5Low110 Ų11094.7 Ų94.777%0.76954%0.536SS*.  trans-72.1109.8160.4-66.20000108.2
551Q42.8Very low54.6Low151 Ų15196.8 Ų96.871%0.70654%0.544SS*.SBendtrans65.794.9-176.5-49.8157.9-91.700111.9N549N549-Q551 PolarHBondContact O-N 2.8Å
552V42.8Very low55.3Low119 Ų11994.7 Ų94.772%0.72153%0.532SS*.  cis-132.1104.949.3-177.50000110.7N549N549-V552 PolarHBondContact OD1-N 3.41Å
553Q42.5Very low56.2Low92 Ų9289 Ų8943%0.4351%0.506SS..  trans-68.6137.2160.4-70.3167-66.300107.9R558Q553-R558 HydrophobicContact CB-CG 4.03Å
554T48.4Very low57.4Low88 Ų8890 Ų9054%0.5451%0.507SS..  trans-54.6129.4165.740.80000107.8E556 V557 R558T554-E556 PolarHBondContact O-N 3.44Å; T554-V557 PolarHBondContact O-N 2.97Å; T554-V557 WeakPolarHBondContact OG1-CG2 3.43Å; T554-R558 PolarHBondContact O-N 3.26Å
555P57.2Low58.8Low49 Ų4989.9 Ų89.932%0.31851%0.505SS..Hα-helixtrans-60.5-25.6-172.622.2-32.6000112.2V557 R558 F559 L578 I582P555-V557 PolarHBondContact O-N 2.81Å; P555-R558 PolarHBondContact O-N 2.65Å; P555-F559 HydrophobicContact CB-CD2 4.25Å; P555-F559 HydrophobicContact CB-CE2 4.26Å; P555-F559 WeakPolarHBondContact O-CD2 3.22Å; P555-F559 PolarHBondContact O-N 2.99Å; P555-L578 HydrophobicContact CB-CD1 4.11Å; P555-L578 HydrophobicContact CG-CD1 4.38Å; P555-I582 HydrophobicContact CB-CD1 3.61Å; P555-I582 HydrophobicContact CB-CG1 3.56Å; P555-I582 HydrophobicContact CG-CD1 3.59Å; P555-I582 HydrophobicContact CG-CG1 4.13Å
556E62.5Low60.2Low105 Ų10586.5 Ų86.549%0.49148%0.477SS..Hα-helixtrans-64.4-34.6175.7-160.3175128.600113.7T554 Q560 L563 L578T554-E556 PolarHBondContact O-N 3.44Å; E556-Q560 WeakPolarHBondContact O-CA 3.41Å; E556-Q560 PolarHBondContact O-N 3.43Å; E556-Q560 VanDerWaalsContact O-N 3.11Å; E556-L563 HydrophobicContact CG-CD1 4.01Å; E556-L578 HydrophobicContact CB-CD1 3.98Å; E556-L578 HydrophobicContact CB-CD2 4.39Å; E556-L578 HydrophobicContact CG-CD1 4.41Å
557V65.4Low61.6Low85 Ų8586.2 Ų86.252%0.51546%0.461SS..Hα-helixtrans-79.7-34.6174.8176.50000110.8T554 P555T554-V557 PolarHBondContact O-N 2.97Å; T554-V557 WeakPolarHBondContact OG1-CG2 3.43Å; P555-V557 PolarHBondContact O-N 2.81Å
558R68.6Low63Low129 Ų12985.7 Ų85.749%0.48746%0.457SS..Hα-helixtrans-62.9-43175-113.5-173.4-167.6-174.73112.8Q553 T554 P555Q553-R558 HydrophobicContact CB-CG 4.03Å; T554-R558 PolarHBondContact O-N 3.26Å; P555-R558 PolarHBondContact O-N 2.65Å
559F72.5Confident64.6Low26 Ų2688.3 Ų88.311%0.11446%0.46CS..THydrogen-bonded Turntrans-105.120.3-175.4-51.8-54.8000112.5P555 Q561 Q562 L563 L581 I582P555-F559 HydrophobicContact CB-CD2 4.25Å; P555-F559 HydrophobicContact CB-CE2 4.26Å; P555-F559 WeakPolarHBondContact O-CD2 3.22Å; P555-F559 PolarHBondContact O-N 2.99Å; F559-Q561 VanDerWaalsContact C-N 3.29Å; F559-Q561 PolarHBondContact O-N 3.15Å; F559-Q562 HydrophobicContact CB-CB 4.41Å; F559-Q562 CarbonylContact O-C 3.59Å; F559-Q562 PolarHBondContact O-N 3.37Å; F559-Q562 VanDerWaalsContact O-N 3.16Å; F559-L563 VanDerWaalsContact O-CB 3.31Å; F559-L563 WeakPolarHBondContact O-CB 3.3Å; F559-L563 VanDerWaalsContact O-CG 3.29Å; F559-L563 WeakPolarHBondContact O-CG 3.38Å; F559-L563 PolarHBondContact O-N 3.23Å; F559-L581 HydrophobicContact CB-CB 4.26Å; F559-L581 HydrophobicContact CB-CD1 4.01Å; F559-L581 HydrophobicContact CD2-CB 4.05Å; F559-L581 HydrophobicContact CG-CB 4.11Å; F559-I582 HydrophobicContact CD2-CG1 4.38Å; F559-I582 HydrophobicContact CE2-CG1 4.08Å
560Q78.9Confident66.2Low101 Ų10185.6 Ų85.647%0.47246%0.458SS..Hα-helixtrans-54.4-45.6-179.9-167.8101.783.500111.5E556 L563 E564E556-Q560 WeakPolarHBondContact O-CA 3.41Å; E556-Q560 PolarHBondContact O-N 3.43Å; E556-Q560 VanDerWaalsContact O-N 3.11Å; Q560-L563 PolarHBondContact O-N 3.27Å; Q560-E564 WeakPolarHBondContact O-CB 3.23Å; Q560-E564 PolarHBondContact O-N 3.32Å
561Q76.9Confident67.8Low157 Ų15781.7 Ų81.773%0.73443%0.427SS*.Hα-helixtrans-65.3-43.6177.9-114.4172.5-7.300112F559 E564 Q565F559-Q561 VanDerWaalsContact C-N 3.29Å; F559-Q561 PolarHBondContact O-N 3.15Å; Q561-E564 PolarHBondContact O-N 3.29Å; Q561-Q565 WeakPolarHBondContact O-CB 3.37Å; Q561-Q565 PolarHBondContact O-N 3.31Å
562Q78.1Confident69.4Low47 Ų4780.8 Ų80.822%0.2243%0.425CS..Hα-helixtrans-69.5-33.4177.5-67.875.513.300112.4F559 Q565 L566 L581 I588F559-Q562 HydrophobicContact CB-CB 4.41Å; F559-Q562 CarbonylContact O-C 3.59Å; F559-Q562 PolarHBondContact O-N 3.37Å; F559-Q562 VanDerWaalsContact O-N 3.16Å; Q562-Q565 PolarHBondContact O-N 3.15Å; Q562-L566 WeakPolarHBondContact O-CB 3.42Å; Q562-L566 WeakPolarHBondContact O-CG 3.47Å; Q562-L566 PolarHBondContact O-N 3.45Å; Q562-L581 HydrophobicContact CB-CD1 3.77Å; Q562-L581 HydrophobicContact CB-CD2 3.63Å; Q562-L581 HydrophobicContact CB-CG 4.37Å; Q562-L581 HydrophobicContact CG-CD2 4.15Å; Q562-I588 HydrophobicContact CB-CD1 4.31Å; Q562-I588 HydrophobicContact CB-CG1 4.11Å; Q562-I588 HydrophobicContact CG-CD1 3.74Å; Q562-I588 HydrophobicContact CG-CG1 3.59Å
563L75.6Confident71.2Confident12 Ų1280.8 Ų80.86%0.06342%0.421CS..Hα-helixtrans-65.8-43172.9-80167.2000111.4E556 F559 Q560 Q565 L566 N567 R574 N577 L578 L581E556-L563 HydrophobicContact CG-CD1 4.01Å; F559-L563 VanDerWaalsContact O-CB 3.31Å; F559-L563 WeakPolarHBondContact O-CB 3.3Å; F559-L563 VanDerWaalsContact O-CG 3.29Å; F559-L563 WeakPolarHBondContact O-CG 3.38Å; F559-L563 PolarHBondContact O-N 3.23Å; Q560-L563 PolarHBondContact O-N 3.27Å; L563-Q565 VanDerWaalsContact C-N 3.33Å; L563-L566 PolarHBondContact O-N 3.43Å; L563-N567 WeakPolarHBondContact O-CB 3.39Å; L563-N567 PolarHBondContact O-N 3.38Å; L563-R574 WeakPolarHBondContact CD2-O 3.35Å; L563-N577 HydrophobicContact CD2-CB 3.55Å; L563-L578 HydrophobicContact CD1-CD1 4.11Å; L563-L578 HydrophobicContact CD2-CB 4.22Å; L563-L581 HydrophobicContact CD2-CD1 4.07Å; L563-L581 HydrophobicContact CG-CD1 3.97Å
564E79.6Confident72.8Confident135 Ų13584.2 Ų84.263%0.63143%0.43SS*.Hα-helixtrans-69.8-33.1176.9-158.815295.100111.4Q560 Q561 S568Q560-E564 WeakPolarHBondContact O-CB 3.23Å; Q560-E564 PolarHBondContact O-N 3.32Å; Q561-E564 PolarHBondContact O-N 3.29Å; E564-S568 WeakPolarHBondContact O-CB 3.16Å; E564-S568 PolarHBondContact O-N 3.44Å; E564-S568 PolarHBondContact O-OG 3.3Å
565Q77.3Confident74.3Confident97 Ų9787.9 Ų87.945%0.45344%0.441SS..Hα-helixtrans-67.9-44.5170.6-165.5166.9-1.300112.6Q561 Q562 L563 S568 M569 I588Q561-Q565 WeakPolarHBondContact O-CB 3.37Å; Q561-Q565 PolarHBondContact O-N 3.31Å; Q562-Q565 PolarHBondContact O-N 3.15Å; L563-Q565 VanDerWaalsContact C-N 3.33Å; Q565-S568 WeakPolarHBondContact CA-OG 3.31Å; Q565-S568 PolarHBondContact O-N 3.34Å; Q565-S568 PolarHBondContact O-OG 2.79Å; Q565-M569 HydrophobicContact CG-CE 4.13Å; Q565-M569 WeakPolarHBondContact O-CE 3.34Å; Q565-M569 WeakPolarHBondContact O-CG 3.19Å; Q565-M569 PolarHBondContact O-N 2.77Å; Q565-I588 HydrophobicContact CG-CD1 4.43Å
566L76.5Confident75.3Confident0 Ų087.8 Ų87.80%045%0.445CS..Hα-helixtrans-64.2-40.5173.9-77.9166.1000112.2Q562 L563 M569 G570 F571 N577 L581 I588 I592 L595Q562-L566 WeakPolarHBondContact O-CB 3.42Å; Q562-L566 WeakPolarHBondContact O-CG 3.47Å; Q562-L566 PolarHBondContact O-N 3.45Å; L563-L566 PolarHBondContact O-N 3.43Å; L566-M569 HydrophobicContact CD2-CE 3.95Å; L566-M569 HydrophobicContact CG-CE 4.36Å; L566-M569 CarbonylContact O-C 3.51Å; L566-M569 PolarHBondContact O-N 3.39Å; L566-G570 PolarHBondContact O-N 2.96Å; L566-F571 HydrophobicContact CB-CB 4.34Å; L566-F571 HydrophobicContact CD2-CD2 4.03Å; L566-F571 WeakPolarHBondContact O-CB 3.22Å; L566-F571 PolarHBondContact O-N 2.96Å; L566-N577 HydrophobicContact CB-CB 4.49Å; L566-N577 HydrophobicContact CD1-CB 3.85Å; L566-L581 HydrophobicContact CD1-CD1 3.48Å; L566-L581 VanDerWaalsContact CD1-CD1 3.48Å; L566-L581 HydrophobicContact CD1-CD2 4.29Å; L566-L581 HydrophobicContact CD1-CG 3.83Å; L566-I588 HydrophobicContact CD2-CG2 4.2Å; L566-I588 HydrophobicContact CG-CG2 4.27Å; L566-I592 HydrophobicContact CD2-CD1 4.4Å; L566-I592 HydrophobicContact CD2-CG1 3.56Å; L566-L595 HydrophobicContact CD1-CD1 4.22Å; L566-L595 HydrophobicContact CD2-CD1 3.96Å
567N78.8Confident76.1Confident54 Ų5482.9 Ų82.929%0.28942%0.422SS..Hα-helixtrans-66.1-40.2177.1-170.923000111.5L563 M569 G570 F571L563-N567 WeakPolarHBondContact O-CB 3.39Å; L563-N567 PolarHBondContact O-N 3.38Å; N567-M569 VanDerWaalsContact C-N 3.31Å; N567-M569 PolarHBondContact O-N 2.94Å; N567-G570 PolarHBondContact O-N 3.35Å; N567-F571 WeakPolarHBondContact CA-O 3.37Å
568S78.6Confident76.9Confident100 Ų10079.9 Ų79.970%0.69940%0.403SS*.Hα-helixtrans-70.9-23.5172.953.10000113.7E564 Q565 G570E564-S568 WeakPolarHBondContact O-CB 3.16Å; E564-S568 PolarHBondContact O-N 3.44Å; E564-S568 PolarHBondContact O-OG 3.3Å; Q565-S568 WeakPolarHBondContact CA-OG 3.31Å; Q565-S568 PolarHBondContact O-N 3.34Å; Q565-S568 PolarHBondContact O-OG 2.79Å; S568-G570 VanDerWaalsContact C-N 3.26Å
569M75.7Confident77.5Confident92 Ų9280.7 Ų80.745%0.45341%0.412SS..THydrogen-bonded Turntrans-79.6-0.6166.4-69.6-174.8-61.800114Q565 L566 N567 F571 I588 I592Q565-M569 HydrophobicContact CG-CE 4.13Å; Q565-M569 WeakPolarHBondContact O-CE 3.34Å; Q565-M569 WeakPolarHBondContact O-CG 3.19Å; Q565-M569 PolarHBondContact O-N 2.77Å; L566-M569 HydrophobicContact CD2-CE 3.95Å; L566-M569 HydrophobicContact CG-CE 4.36Å; L566-M569 CarbonylContact O-C 3.51Å; L566-M569 PolarHBondContact O-N 3.39Å; N567-M569 VanDerWaalsContact C-N 3.31Å; N567-M569 PolarHBondContact O-N 2.94Å; M569-F571 HydrophobicContact CB-CD2 4.49Å; M569-I588 HydrophobicContact CE-CG2 3.84Å; M569-I592 HydrophobicContact CE-CD1 3.7Å; M569-I592 HydrophobicContact CE-CG1 4.34Å; M569-I592 HydrophobicContact SD-CD1 4.16Å
570G71.9Confident77.7Confident49 Ų4979.8 Ų79.851%0.50541%0.41SS..THydrogen-bonded Turntrans100.30.3173.300000115.7L566 N567 S568 I572L566-G570 PolarHBondContact O-N 2.96Å; N567-G570 PolarHBondContact O-N 3.35Å; S568-G570 VanDerWaalsContact C-N 3.26Å; G570-I572 PolarHBondContact O-N 2.99Å; G570-I572 VanDerWaalsContact O-N 3.16Å
571F73Confident77.8Confident27 Ų2775 Ų7512%0.11839%0.387CS..  trans-82.390172.4-64.8-86.2000109.8L566 N567 M569 N577 I592 L595 L596L566-F571 HydrophobicContact CB-CB 4.34Å; L566-F571 HydrophobicContact CD2-CD2 4.03Å; L566-F571 WeakPolarHBondContact O-CB 3.22Å; L566-F571 PolarHBondContact O-N 2.96Å; N567-F571 WeakPolarHBondContact CA-O 3.37Å; M569-F571 HydrophobicContact CB-CD2 4.49Å; F571-N577 WeakPolarHBondContact CB-OD1 3.37Å; F571-N577 PolarHBondContact O-ND2 3.08Å; F571-I592 HydrophobicContact CE2-CG1 4.25Å; F571-I592 HydrophobicContact CE2-CG2 4.13Å; F571-I592 HydrophobicContact CZ-CG2 4.03Å; F571-L595 HydrophobicContact CD1-CB 4Å; F571-L595 HydrophobicContact CD1-CD1 4.03Å; F571-L595 HydrophobicContact CD1-CG 4.5Å; F571-L595 HydrophobicContact CE1-CB 3.77Å; F571-L595 HydrophobicContact CE1-CD1 4.44Å; F571-L595 HydrophobicContact CG-CD1 4.18Å; F571-L595 HydrophobicContact CZ-CB 4.47Å; F571-L596 HydrophobicContact CE1-CD1 4.48Å; F571-L596 HydrophobicContact CZ-CD1 4.21Å
572I77Confident77.9Confident132 Ų13271.4 Ų71.468%0.67737%0.372SS*.  trans-76.6-23.7-171.1-59.5151.2000112.7G570 R574G570-I572 PolarHBondContact O-N 2.99Å; G570-I572 VanDerWaalsContact O-N 3.16Å; I572-R574 PolarHBondContact O-N 3.41Å
573N80.4Confident77.9Confident120 Ų12071.5 Ų71.564%0.64238%0.381SS*.  trans-74.789-178.7-89.2-39.5000112.3E575 A576 N577N573-E575 VanDerWaalsContact C-N 3.29Å; N573-E575 PolarHBondContact O-N 3.06Å; N573-A576 HydrophobicContact CB-CB 4.02Å; N573-A576 PolarHBondContact O-N 2.81Å; N573-N577 PolarHBondContact O-N 3.49Å; N573-N577 PolarHBondContact O-OD1 3.43Å
574R76.6Confident78.1Confident163 Ų16372.5 Ų72.562%0.61539%0.387SS*.Hα-helixtrans-53.4-41-179.5-65.9-178.1-178.6-180-1.9113.5L563 I572 N577 L578L563-R574 WeakPolarHBondContact CD2-O 3.35Å; I572-R574 PolarHBondContact O-N 3.41Å; R574-N577 PolarHBondContact O-N 3.4Å; R574-L578 WeakPolarHBondContact O-CB 3.49Å; R574-L578 PolarHBondContact O-N 3.17Å
575E79Confident77.9Confident166 Ų16669 Ų6978%0.77639%0.388SS*.Hα-helixtrans-67-44.6179.3-70.8175.485.200112.7N573 N577 L578 Q579N573-E575 VanDerWaalsContact C-N 3.29Å; N573-E575 PolarHBondContact O-N 3.06Å; E575-N577 VanDerWaalsContact C-N 3.33Å; E575-N577 PolarHBondContact O-N 2.96Å; E575-L578 WeakPolarHBondContact O-CB 3.41Å; E575-L578 PolarHBondContact O-N 3.13Å; E575-Q579 WeakPolarHBondContact O-CB 3.38Å; E575-Q579 PolarHBondContact O-N 3.28Å
576A78.9Confident77.6Confident47 Ų4765.2 Ų65.239%0.38838%0.375SS..Hα-helixtrans-63.7-41.8176.100000111.2N573 Q579 A580 L595N573-A576 HydrophobicContact CB-CB 4.02Å; N573-A576 PolarHBondContact O-N 2.81Å; A576-Q579 WeakPolarHBondContact O-CB 3.11Å; A576-Q579 PolarHBondContact O-N 3.3Å; A576-A580 WeakPolarHBondContact O-CB 3.42Å; A576-A580 PolarHBondContact O-N 2.84Å; A576-L595 HydrophobicContact CB-CD2 3.91Å
577N79.5Confident77.8Confident1 Ų169.8 Ų69.81%0.00540%0.399CS..Hα-helixtrans-63.5-42.4176.3-63.5-2000111.7L563 L566 F571 N573 R574 E575 A580 L581 L595L563-N577 HydrophobicContact CD2-CB 3.55Å; L566-N577 HydrophobicContact CB-CB 4.49Å; L566-N577 HydrophobicContact CD1-CB 3.85Å; F571-N577 WeakPolarHBondContact CB-OD1 3.37Å; F571-N577 PolarHBondContact O-ND2 3.08Å; N573-N577 PolarHBondContact O-N 3.49Å; N573-N577 PolarHBondContact O-OD1 3.43Å; R574-N577 PolarHBondContact O-N 3.4Å; E575-N577 VanDerWaalsContact C-N 3.33Å; E575-N577 PolarHBondContact O-N 2.96Å; N577-A580 PolarHBondContact O-N 2.95Å; N577-L581 WeakPolarHBondContact O-CB 3.13Å; N577-L581 WeakPolarHBondContact O-CD1 3.33Å; N577-L581 WeakPolarHBondContact O-CG 3.31Å; N577-L581 PolarHBondContact O-N 3.3Å; N577-L595 HydrophobicContact CB-CD1 4.4Å; N577-L595 VanDerWaalsContact OD1-CD1 3.31Å; N577-L595 WeakPolarHBondContact OD1-CD1 3.45Å
578L82.4Confident77.6Confident23 Ų2368.5 Ų68.512%0.1239%0.392CS..Hα-helixtrans-60.5-48.2175.7179.972.5000110.2P555 E556 L563 R574 E575 A580 L581 I582P555-L578 HydrophobicContact CB-CD1 4.11Å; P555-L578 HydrophobicContact CG-CD1 4.38Å; E556-L578 HydrophobicContact CB-CD1 3.98Å; E556-L578 HydrophobicContact CB-CD2 4.39Å; E556-L578 HydrophobicContact CG-CD1 4.41Å; L563-L578 HydrophobicContact CD1-CD1 4.11Å; L563-L578 HydrophobicContact CD2-CB 4.22Å; R574-L578 WeakPolarHBondContact O-CB 3.49Å; R574-L578 PolarHBondContact O-N 3.17Å; E575-L578 WeakPolarHBondContact O-CB 3.41Å; E575-L578 PolarHBondContact O-N 3.13Å; L578-A580 VanDerWaalsContact C-N 3.31Å; L578-A580 PolarHBondContact O-N 2.81Å; L578-L581 PolarHBondContact O-N 2.72Å; L578-I582 HydrophobicContact CD1-CD1 4.2Å; L578-I582 HydrophobicContact CD2-CD1 4.43Å; L578-I582 HydrophobicContact CG-CD1 3.8Å; L578-I582 HydrophobicContact CG-CG1 4.49Å; L578-I582 WeakPolarHBondContact O-CB 3.5Å; L578-I582 WeakPolarHBondContact O-CD1 3.42Å; L578-I582 WeakPolarHBondContact O-CG1 3.32Å; L578-I582 PolarHBondContact O-N 2.95Å
579Q79.6Confident77.7Confident145 Ų14569.2 Ų69.268%0.67839%0.388SS*.Hα-helixtrans-58.3-43177.2-158.493.1-3.200111.5E575 A576 A583E575-Q579 WeakPolarHBondContact O-CB 3.38Å; E575-Q579 PolarHBondContact O-N 3.28Å; A576-Q579 WeakPolarHBondContact O-CB 3.11Å; A576-Q579 PolarHBondContact O-N 3.3Å; Q579-A583 VanDerWaalsContact O-CB 3.3Å; Q579-A583 WeakPolarHBondContact O-CB 3.29Å; Q579-A583 PolarHBondContact O-N 2.8Å
580A77.3Confident77.8Confident8 Ų866.4 Ų66.47%0.06638%0.38CS..Hα-helixtrans-66.5-46.3177.400000112A576 N577 L578 A583 T584 A591 R594 L595A576-A580 WeakPolarHBondContact O-CB 3.42Å; A576-A580 PolarHBondContact O-N 2.84Å; N577-A580 PolarHBondContact O-N 2.95Å; L578-A580 VanDerWaalsContact C-N 3.31Å; L578-A580 PolarHBondContact O-N 2.81Å; A580-A583 CarbonylContact O-C 3.56Å; A580-A583 PolarHBondContact O-N 3.49Å; A580-A583 VanDerWaalsContact O-N 3.14Å; A580-T584 WeakPolarHBondContact O-CG2 3.28Å; A580-T584 PolarHBondContact O-N 3.44Å; A580-T584 PolarHBondContact O-OG1 2.89Å; A580-A591 HydrophobicContact CB-CB 3.96Å; A580-R594 HydrophobicContact CB-CB 4.48Å; A580-L595 HydrophobicContact CB-CD1 4.26Å; A580-L595 HydrophobicContact CB-CD2 4.14Å; A580-L595 HydrophobicContact CB-CG 3.81Å
581L80.4Confident78.2Confident0 Ų064.1 Ų64.10%036%0.356CS..Hα-helixtrans-64.5-37.7177.5-77.8161.8000112.9F559 Q562 L563 L566 N577 L578 A583 T584 G585 G586 A591F559-L581 HydrophobicContact CB-CB 4.26Å; F559-L581 HydrophobicContact CB-CD1 4.01Å; F559-L581 HydrophobicContact CD2-CB 4.05Å; F559-L581 HydrophobicContact CG-CB 4.11Å; Q562-L581 HydrophobicContact CB-CD1 3.77Å; Q562-L581 HydrophobicContact CB-CD2 3.63Å; Q562-L581 HydrophobicContact CB-CG 4.37Å; Q562-L581 HydrophobicContact CG-CD2 4.15Å; L563-L581 HydrophobicContact CD2-CD1 4.07Å; L563-L581 HydrophobicContact CG-CD1 3.97Å; L566-L581 HydrophobicContact CD1-CD1 3.48Å; L566-L581 VanDerWaalsContact CD1-CD1 3.48Å; L566-L581 HydrophobicContact CD1-CD2 4.29Å; L566-L581 HydrophobicContact CD1-CG 3.83Å; N577-L581 WeakPolarHBondContact O-CB 3.13Å; N577-L581 WeakPolarHBondContact O-CD1 3.33Å; N577-L581 WeakPolarHBondContact O-CG 3.31Å; N577-L581 PolarHBondContact O-N 3.3Å; L578-L581 PolarHBondContact O-N 2.72Å; L581-A583 VanDerWaalsContact C-N 3.35Å; L581-T584 PolarHBondContact O-N 3.36Å; L581-G585 CarbonylContact O-C 3.57Å; L581-G585 PolarHBondContact O-N 2.84Å; L581-G586 PolarHBondContact O-N 3.36Å; L581-A591 HydrophobicContact CD2-CB 4.02Å; L581-A591 HydrophobicContact CG-CB 4.09Å
582I79.4Confident78.5Confident82 Ų8264.6 Ų64.642%0.42136%0.359SS..Hα-helixtrans-62.5-45.3170.9-67.8163000109.9P555 F559 L578 T584 G585P555-I582 HydrophobicContact CB-CD1 3.61Å; P555-I582 HydrophobicContact CB-CG1 3.56Å; P555-I582 HydrophobicContact CG-CD1 3.59Å; P555-I582 HydrophobicContact CG-CG1 4.13Å; F559-I582 HydrophobicContact CD2-CG1 4.38Å; F559-I582 HydrophobicContact CE2-CG1 4.08Å; L578-I582 HydrophobicContact CD1-CD1 4.2Å; L578-I582 HydrophobicContact CD2-CD1 4.43Å; L578-I582 HydrophobicContact CG-CD1 3.8Å; L578-I582 HydrophobicContact CG-CG1 4.49Å; L578-I582 WeakPolarHBondContact O-CB 3.5Å; L578-I582 WeakPolarHBondContact O-CD1 3.42Å; L578-I582 WeakPolarHBondContact O-CG1 3.32Å; L578-I582 PolarHBondContact O-N 2.95Å; I582-T584 VanDerWaalsContact C-N 3.27Å; I582-T584 PolarHBondContact O-N 3.1Å; I582-G585 PolarHBondContact O-N 2.88Å
583A77.9Confident78.6Confident48 Ų4865.2 Ų65.240%0.39736%0.359SS..Hα-helixtrans-69.8-20.2-178.600000114.2Q579 A580 L581Q579-A583 VanDerWaalsContact O-CB 3.3Å; Q579-A583 WeakPolarHBondContact O-CB 3.29Å; Q579-A583 PolarHBondContact O-N 2.8Å; A580-A583 CarbonylContact O-C 3.56Å; A580-A583 PolarHBondContact O-N 3.49Å; A580-A583 VanDerWaalsContact O-N 3.14Å; L581-A583 VanDerWaalsContact C-N 3.35Å
584T80.1Confident78.3Confident33 Ų3366.4 Ų66.420%0.20236%0.355CS..THydrogen-bonded Turntrans-106.44175.663.50000113.6A580 L581 I582 G586 D587 A590 A591A580-T584 WeakPolarHBondContact O-CG2 3.28Å; A580-T584 PolarHBondContact O-N 3.44Å; A580-T584 PolarHBondContact O-OG1 2.89Å; L581-T584 PolarHBondContact O-N 3.36Å; I582-T584 VanDerWaalsContact C-N 3.27Å; I582-T584 PolarHBondContact O-N 3.1Å; T584-G586 VanDerWaalsContact C-N 3.26Å; T584-G586 PolarHBondContact O-N 3.03Å; T584-D587 PolarHBondContact O-N 3.14Å; T584-D587 PolarHBondContact OG1-N 3.21Å; T584-D587 PolarHBondContact OG1-O 2.96Å; T584-A590 HydrophobicContact CG2-CB 3.61Å; T584-A591 HydrophobicContact CG2-CB 4.47Å
585G76Confident78.2Confident63 Ų6359.1 Ų59.165%0.64933%0.328SS*.THydrogen-bonded Turntrans69.917.2179.100000115.1L581 I582L581-G585 CarbonylContact O-C 3.57Å; L581-G585 PolarHBondContact O-N 2.84Å; I582-G585 PolarHBondContact O-N 2.88Å
586G70.9Confident78.1Confident16 Ų1655.9 Ų55.917%0.16532%0.315CS..THydrogen-bonded Turntrans105.1-1.6-176.700000114.8L581 T584 I588L581-G586 PolarHBondContact O-N 3.36Å; T584-G586 VanDerWaalsContact C-N 3.26Å; T584-G586 PolarHBondContact O-N 3.03Å; G586-I588 PolarHBondContact O-N 3.09Å
587D79.3Confident77.6Confident96 Ų9655.7 Ų55.751%0.51332%0.318SS..  trans-77113.9-178.7-137.2-53.4000111.5T584 A590 A591T584-D587 PolarHBondContact O-N 3.14Å; T584-D587 PolarHBondContact OG1-N 3.21Å; T584-D587 PolarHBondContact OG1-O 2.96Å; D587-A590 HydrophobicContact CB-CB 4.39Å; D587-A591 VanDerWaalsContact O-CB 3.3Å; D587-A591 WeakPolarHBondContact O-CB 3.45Å; D587-A591 PolarHBondContact O-N 3Å
588I75.6Confident76.9Confident28 Ų2859.8 Ų59.814%0.14435%0.347CS..Hα-helixtrans-69.4-43-169.3-49.4179.6000111Q562 Q565 L566 M569 G586 A591 I592Q562-I588 HydrophobicContact CB-CD1 4.31Å; Q562-I588 HydrophobicContact CB-CG1 4.11Å; Q562-I588 HydrophobicContact CG-CD1 3.74Å; Q562-I588 HydrophobicContact CG-CG1 3.59Å; Q565-I588 HydrophobicContact CG-CD1 4.43Å; L566-I588 HydrophobicContact CD2-CG2 4.2Å; L566-I588 HydrophobicContact CG-CG2 4.27Å; M569-I588 HydrophobicContact CE-CG2 3.84Å; G586-I588 PolarHBondContact O-N 3.09Å; I588-A591 WeakPolarHBondContact O-CB 3.46Å; I588-A591 PolarHBondContact O-N 3.21Å; I588-I592 HydrophobicContact CG2-CD1 4.18Å; I588-I592 VanDerWaalsContact O-CG1 3.31Å; I588-I592 WeakPolarHBondContact O-CG1 3.4Å; I588-I592 PolarHBondContact O-N 3.17Å
589N79.6Confident75.7Confident114 Ų11465.3 Ų65.361%0.6137%0.372SS*.Hα-helixtrans-66.6-45.6-175.9-64.4-63.4000111.3A591 I592 E593N589-A591 VanDerWaalsContact C-N 3.27Å; N589-A591 PolarHBondContact O-N 3.3Å; N589-I592 WeakPolarHBondContact O-CB 3.37Å; N589-I592 PolarHBondContact O-N 2.79Å; N589-E593 PolarHBondContact O-N 3.49Å
590A79.7Confident74.4Confident34 Ų3465.5 Ų65.528%0.28138%0.377SS..Hα-helixtrans-65-31.7173.900000112.3T584 D587 E593 R594T584-A590 HydrophobicContact CG2-CB 3.61Å; D587-A590 HydrophobicContact CB-CB 4.39Å; A590-E593 PolarHBondContact O-N 2.89Å; A590-R594 PolarHBondContact O-N 3.3Å
591A79.1Confident72.8Confident0 Ų073.3 Ų73.30%043%0.431CS..Hα-helixtrans-68.1-40.2174.700000111.1A580 L581 T584 D587 I588 N589 R594 L595A580-A591 HydrophobicContact CB-CB 3.96Å; L581-A591 HydrophobicContact CD2-CB 4.02Å; L581-A591 HydrophobicContact CG-CB 4.09Å; T584-A591 HydrophobicContact CG2-CB 4.47Å; D587-A591 VanDerWaalsContact O-CB 3.3Å; D587-A591 WeakPolarHBondContact O-CB 3.45Å; D587-A591 PolarHBondContact O-N 3Å; I588-A591 WeakPolarHBondContact O-CB 3.46Å; I588-A591 PolarHBondContact O-N 3.21Å; N589-A591 VanDerWaalsContact C-N 3.27Å; N589-A591 PolarHBondContact O-N 3.3Å; A591-R594 PolarHBondContact O-N 2.78Å; A591-L595 WeakPolarHBondContact O-CB 3.27Å; A591-L595 WeakPolarHBondContact O-CD1 3.34Å; A591-L595 WeakPolarHBondContact O-CG 3.42Å; A591-L595 PolarHBondContact O-N 2.82Å
592I78.9Confident72.4Confident38 Ų3877 Ų7720%0.19545%0.452CS..Hα-helixtrans-59.4-47.9171.6-65.4163.8000110.2L566 M569 F571 I588 N589 R594 L595 L596L566-I592 HydrophobicContact CD2-CD1 4.4Å; L566-I592 HydrophobicContact CD2-CG1 3.56Å; M569-I592 HydrophobicContact CE-CD1 3.7Å; M569-I592 HydrophobicContact CE-CG1 4.34Å; M569-I592 HydrophobicContact SD-CD1 4.16Å; F571-I592 HydrophobicContact CE2-CG1 4.25Å; F571-I592 HydrophobicContact CE2-CG2 4.13Å; F571-I592 HydrophobicContact CZ-CG2 4.03Å; I588-I592 HydrophobicContact CG2-CD1 4.18Å; I588-I592 VanDerWaalsContact O-CG1 3.31Å; I588-I592 WeakPolarHBondContact O-CG1 3.4Å; I588-I592 PolarHBondContact O-N 3.17Å; N589-I592 WeakPolarHBondContact O-CB 3.37Å; N589-I592 PolarHBondContact O-N 2.79Å; I592-R594 VanDerWaalsContact C-N 3.34Å; I592-R594 PolarHBondContact O-N 3Å; I592-L595 PolarHBondContact O-N 3.48Å; I592-L595 VanDerWaalsContact O-N 3.15Å; I592-L596 VanDerWaalsContact O-CB 3.31Å; I592-L596 WeakPolarHBondContact O-CB 3.49Å; I592-L596 PolarHBondContact O-N 2.78Å
593E78.9Confident72Confident145 Ų14576.7 Ų76.768%0.67845%0.454SS*.Hα-helixtrans-59.9-42179.6-71.2-177.8105.300112.2N589 A590 G597N589-E593 PolarHBondContact O-N 3.49Å; A590-E593 PolarHBondContact O-N 2.89Å; E593-G597 PolarHBondContact O-N 2.71Å
594R76Confident71.7Confident145 Ų14578.3 Ų78.355%0.54746%0.457SS..Hα-helixtrans-64.3-44.1171.9-81.9-162.7-178.6-141.57.8113A580 A590 A591 I592 L596 G597 S598A580-R594 HydrophobicContact CB-CB 4.48Å; A590-R594 PolarHBondContact O-N 3.3Å; A591-R594 PolarHBondContact O-N 2.78Å; I592-R594 VanDerWaalsContact C-N 3.34Å; I592-R594 PolarHBondContact O-N 3Å; R594-L596 VanDerWaalsContact C-N 3.33Å; R594-G597 PolarHBondContact O-N 3.05Å; R594-S598 VanDerWaalsContact O-CB 3.31Å; R594-S598 WeakPolarHBondContact O-CB 3.37Å; R594-S598 PolarHBondContact O-N 2.79Å; R594-S598 PolarHBondContact O-OG 3.47Å
595L74.6Confident71.2Confident9 Ų980.9 Ų80.95%0.04747%0.472CS..Hα-helixtrans-64-39.1179.3-75.7165.4000112L566 F571 A576 N577 A580 A591 I592 S598 Q599L566-L595 HydrophobicContact CD1-CD1 4.22Å; L566-L595 HydrophobicContact CD2-CD1 3.96Å; F571-L595 HydrophobicContact CD1-CB 4Å; F571-L595 HydrophobicContact CD1-CD1 4.03Å; F571-L595 HydrophobicContact CD1-CG 4.5Å; F571-L595 HydrophobicContact CE1-CB 3.77Å; F571-L595 HydrophobicContact CE1-CD1 4.44Å; F571-L595 HydrophobicContact CG-CD1 4.18Å; F571-L595 HydrophobicContact CZ-CB 4.47Å; A576-L595 HydrophobicContact CB-CD2 3.91Å; N577-L595 HydrophobicContact CB-CD1 4.4Å; N577-L595 VanDerWaalsContact OD1-CD1 3.31Å; N577-L595 WeakPolarHBondContact OD1-CD1 3.45Å; A580-L595 HydrophobicContact CB-CD1 4.26Å; A580-L595 HydrophobicContact CB-CD2 4.14Å; A580-L595 HydrophobicContact CB-CG 3.81Å; A591-L595 WeakPolarHBondContact O-CB 3.27Å; A591-L595 WeakPolarHBondContact O-CD1 3.34Å; A591-L595 WeakPolarHBondContact O-CG 3.42Å; A591-L595 PolarHBondContact O-N 2.82Å; I592-L595 PolarHBondContact O-N 3.48Å; I592-L595 VanDerWaalsContact O-N 3.15Å; L595-S598 PolarHBondContact O-N 2.89Å; L595-Q599 PolarHBondContact O-N 3.3Å
596L75.1Confident70.9Confident98 Ų9882.1 Ų82.151%0.51346%0.461SS..Hα-helixtrans-70.7-41.2178.7-150.174.3000111.1F571 I592 R594 S598 Q599F571-L596 HydrophobicContact CE1-CD1 4.48Å; F571-L596 HydrophobicContact CZ-CD1 4.21Å; I592-L596 VanDerWaalsContact O-CB 3.31Å; I592-L596 WeakPolarHBondContact O-CB 3.49Å; I592-L596 PolarHBondContact O-N 2.78Å; R594-L596 VanDerWaalsContact C-N 3.33Å; L596-S598 VanDerWaalsContact C-N 3.32Å; L596-S598 PolarHBondContact O-N 3.49Å; L596-Q599 PolarHBondContact O-N 2.92Å
597G70.3Confident70.9Confident43 Ų4386.5 Ų86.544%0.44348%0.481SS..Hα-helixtrans-63.9-34.8170.600000113.4E593 R594 L600E593-G597 PolarHBondContact O-N 2.71Å; R594-G597 PolarHBondContact O-N 3.05Å; G597-L600 PolarHBondContact O-N 3.31Å
598S63.6Low70.3Confident87 Ų8785.8 Ų85.861%0.60848%0.478SS*.Hα-helixtrans-77.7-18.2179-52.60000114R594 L595 L596 L600R594-S598 VanDerWaalsContact O-CB 3.31Å; R594-S598 WeakPolarHBondContact O-CB 3.37Å; R594-S598 PolarHBondContact O-N 2.79Å; R594-S598 PolarHBondContact O-OG 3.47Å; L595-S598 PolarHBondContact O-N 2.89Å; L596-S598 VanDerWaalsContact C-N 3.32Å; L596-S598 PolarHBondContact O-N 3.49Å; S598-L600 VanDerWaalsContact C-N 3.31Å
599Q58.5Low69.9Low140 Ų14090.2 Ų90.265%0.65450%0.504SS*.THydrogen-bonded Turntrans-82.7-7.6172.3-80.9-168.724.600113.6L595 L596L595-Q599 PolarHBondContact O-N 3.3Å; L596-Q599 PolarHBondContact O-N 2.92Å
600L50.4Low69.1Low149 Ų14988.3 Ų88.378%0.7850%0.495SS*.  trans-10410-174.9-100.9148.5000113.6G597 S598G597-L600 PolarHBondContact O-N 3.31Å; S598-L600 VanDerWaalsContact C-N 3.31Å
601S43.8Very low68.1Low171 Ų17193.2 Ų93.2100%1.19652%0.515SS*.  trans-117.30175.9-59.80000112.2

Retrieved 601 of 601 residues in 2815.7 ms (Link to these results)

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