A0A096MTZ6_PAPAN Loading...

Band 4.1-like protein 4A

AlphaFold DB , UniProt , Accession A0A096MTZ6, Species PAPAN (Papio anubis, Olive baboon), Gene EPB41L4A, Length 686 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
1M42Very low56.3Low236 Ų236119.3 Ų119.3100%1.16370%0.696SS**  01310-59.7179.8-16900107.8C3M1-C3 PolarHBondContact O-N 3.38Å
2G44.7Very low59Low67 Ų67116.6 Ų116.669%0.69167%0.667SS**  trans-76.2115.5170.800000109.7F4G2-F4 PolarHBondContact O-N 2.77Å
3C48.3Very low61.6Low114 Ų114107.7 Ų107.777%0.7762%0.616SS**  trans-73.598.7170.6-70.40000108.3M1 C5M1-C3 PolarHBondContact O-N 3.38Å; C3-C5 PolarHBondContact O-N 3.39Å
4F49.6Very low63.9Low209 Ų209101.9 Ų101.992%0.91758%0.581SS**  trans-64.882.7163.9-76.5-85.7000108.7G2 A6G2-F4 PolarHBondContact O-N 2.77Å; F4-A6 PolarHBondContact O-N 3Å
5C54.7Low66Low112 Ų11295.1 Ų95.176%0.75754%0.542SS*.  trans-58.1109160.1-640000105.7C3 V7C3-C5 PolarHBondContact O-N 3.39Å; C5-V7 PolarHBondContact O-N 3.35Å; C5-V7 VanDerWaalsContact O-N 3.12Å
6A51.1Low67.9Low90 Ų9090.3 Ų90.374%0.74451%0.514SS*.PPolyproline II helixtrans-54.6123.2175.800000107.6F4 P8F4-A6 PolarHBondContact O-N 3Å; A6-P8 VanDerWaalsContact O-N 3.11Å
7V51.9Low69.5Low131 Ų13185.7 Ų85.779%0.79449%0.488SS*.PPolyproline II helixtrans-50.8123.1177.2-179.60000106.6C5 E9C5-V7 PolarHBondContact O-N 3.35Å; C5-V7 VanDerWaalsContact O-N 3.12Å; V7-E9 PolarHBondContact O-N 3.22Å
8P56.9Low70.9Confident97 Ų9781.1 Ų81.163%0.6346%0.462SS*.PPolyproline II helixtrans-59.2116.4-174.123-32.8000108.1A6 E10A6-P8 VanDerWaalsContact O-N 3.11Å; P8-E10 WeakPolarHBondContact O-CG 3.39Å; P8-E10 PolarHBondContact O-N 3.22Å
9E62.6Low72Confident136 Ų13678.7 Ų78.764%0.63645%0.447SS*.  trans-69.695.3-175.1-169-174.1-146.200109V7 F11 K34V7-E9 PolarHBondContact O-N 3.22Å; E9-F11 PolarHBondContact O-N 3.11Å; E9-K34 IonicContact OE1-NZ 2.74Å; E9-K34 PolarHBondContact OE1-NZ 2.91Å; E9-K34 WeakPolarHBondContact OE2-CD 3.38Å; E9-K34 WeakPolarHBondContact OE2-CE 3.49Å; E9-K34 IonicContact OE2-NZ 3.63Å; E9-K34 PolarHBondContact OE2-NZ 3.32Å
10E74.1Confident72.9Confident118 Ų11877.7 Ų77.755%0.55144%0.439SS*.  trans-65.9116.7-172.3-59.9-153.4119.900110.5P8 Y12 Q28P8-E10 WeakPolarHBondContact O-CG 3.39Å; P8-E10 PolarHBondContact O-N 3.22Å; E10-Y12 PolarHBondContact O-N 3.06Å; E10-Q28 PolarHBondContact OE1-NE2 3Å
11F83.8Confident73.9Confident2 Ų276 Ų761%0.00943%0.432CS..  trans-85.6108.4175.5-172.8-95.4000108.6E9 C13 T26 T27 I32 K34 L77 I84 Y90E9-F11 PolarHBondContact O-N 3.11Å; F11-C13 HydrophobicContact CD1-CB 4.16Å; F11-C13 HydrophobicContact CE1-CB 3.52Å; F11-C13 HydrophobicContact CZ-CB 4.18Å; F11-T26 WeakPolarHBondContact O-CA 3.44Å; F11-T27 WeakPolarHBondContact CB-OG1 3.45Å; F11-T27 PolarHBondContact N-OG1 3.42Å; F11-T27 PolarHBondContact O-N 3.26Å; F11-I32 WeakPolarHBondContact CB-O 3.46Å; F11-I32 HydrophobicContact CD1-CB 4.32Å; F11-I32 HydrophobicContact CD1-CG2 3.69Å; F11-I32 HydrophobicContact CE1-CG2 3.75Å; F11-K34 HydrophobicContact CD2-CG 3.61Å; F11-K34 HydrophobicContact CE2-CG 3.99Å; F11-L77 HydrophobicContact CD1-CD1 4.48Å; F11-L77 HydrophobicContact CE1-CD1 3.54Å; F11-L77 HydrophobicContact CE2-CD1 4.18Å; F11-L77 HydrophobicContact CZ-CB 4.33Å; F11-L77 HydrophobicContact CZ-CD1 3.38Å; F11-L77 HydrophobicContact CZ-CG 4.42Å; F11-I84 HydrophobicContact CE2-CD1 4.43Å; F11-Y90 AromaticContact CD2-CD2 3.58Å; F11-Y90 HydrophobicContact CD2-CD2 3.58Å; F11-Y90 AromaticContact CD2-CE2 3.49Å; F11-Y90 HydrophobicContact CD2-CE2 3.49Å; F11-Y90 VanDerWaalsContact CD2-CE2 3.49Å; F11-Y90 HydrophobicContact CE1-CD2 4.33Å; F11-Y90 AromaticContact CE2-CD2 3.17Å; F11-Y90 HydrophobicContact CE2-CD2 3.17Å; F11-Y90 AromaticContact CE2-CE2 3.38Å; F11-Y90 HydrophobicContact CE2-CE2 3.38Å; F11-Y90 AromaticContact CE2-CG 3.93Å; F11-Y90 HydrophobicContact CE2-CG 3.93Å; F11-Y90 HydrophobicContact CG-CD2 4.31Å; F11-Y90 HydrophobicContact CG-CE2 4.45Å; F11-Y90 AromaticContact CZ-CD2 3.58Å; F11-Y90 HydrophobicContact CZ-CD2 3.58Å; F11-Y90 HydrophobicContact CZ-CE2 4.26Å; F11-Y90 HydrophobicContact CZ-CG 4.06Å
12Y88.8Confident76.3Confident87 Ų8768.5 Ų68.534%0.34139%0.392SS..EExtended strand (participates in β ladder)trans-108.1116.2175.6-175.9-91.7000110.3E10 E14 T24 T26 P89 Y90E10-Y12 PolarHBondContact O-N 3.06Å; Y12-E14 HydrophobicContact CD1-CG 4.46Å; Y12-E14 HydrophobicContact CE1-CG 3.56Å; Y12-E14 WeakPolarHBondContact CE1-OE1 3.29Å; Y12-E14 PolarHBondContact OH-OE1 3.01Å; Y12-T24 HydrophobicContact CE2-CG2 4.41Å; Y12-T24 WeakPolarHBondContact OH-CG2 3.45Å; Y12-T26 HydrophobicContact CD2-CG2 3.97Å; Y12-T26 HydrophobicContact CE2-CG2 4.35Å; Y12-P89 HydrophobicContact CD1-CB 3.78Å; Y12-P89 HydrophobicContact CE1-CB 3.77Å; Y12-Y90 WeakPolarHBondContact O-CD2 3.4Å; Y12-Y90 PolarHBondContact O-N 3.02Å
13C91.7Very high78.6Confident1 Ų166.3 Ų66.31%0.00737%0.365CS..EExtended strand (participates in β ladder)trans-126.8136.6-177.5172.10000109.5F11 L25 Y90F11-C13 HydrophobicContact CD1-CB 4.16Å; F11-C13 HydrophobicContact CE1-CB 3.52Å; F11-C13 HydrophobicContact CZ-CB 4.18Å; C13-L25 HydrophobicContact CB-CB 4.24Å; C13-L25 PolarHBondContact N-O 3.27Å; C13-L25 PolarHBondContact O-N 3.49Å; C13-Y90 WeakPolarHBondContact CA-O 3.47Å; C13-Y90 PolarHBondContact SG-O 3.36Å
14E94.1Very high80.7Confident26 Ų2663.2 Ų63.212%0.12134%0.343CS..EExtended strand (participates in β ladder)trans-111.7124.2172.8-60.6-165.7170.400108.6Y12 K22 T24 P89 Y90 T91 L92Y12-E14 HydrophobicContact CD1-CG 4.46Å; Y12-E14 HydrophobicContact CE1-CG 3.56Å; Y12-E14 WeakPolarHBondContact CE1-OE1 3.29Å; Y12-E14 PolarHBondContact OH-OE1 3.01Å; E14-K22 WeakPolarHBondContact OE2-CE 3.13Å; E14-K22 IonicContact OE2-NZ 2.76Å; E14-K22 PolarHBondContact OE2-NZ 3.2Å; E14-T24 HydrophobicContact CG-CG2 4.41Å; E14-P89 HydrophobicContact CG-CB 4.17Å; E14-Y90 PolarHBondContact N-O 3.17Å; E14-T91 CarbonylContact O-C 3.58Å; E14-T91 WeakPolarHBondContact O-CA 3.43Å; E14-L92 PolarHBondContact O-N 2.6Å
15V95.6Very high82.6Confident0 Ų053.4 Ų53.40%030%0.3CS..EExtended strand (participates in β ladder)trans-99.6113.4168.8-174.20000108.2L17 L23 L25 V45 L59 L92 F94V15-L17 HydrophobicContact CG1-CD2 3.89Å; V15-L23 HydrophobicContact CB-CB 4.3Å; V15-L23 PolarHBondContact N-O 3.44Å; V15-L23 PolarHBondContact O-N 3.37Å; V15-L25 HydrophobicContact CG2-CD1 3.61Å; V15-L25 HydrophobicContact CG2-CG 4.28Å; V15-V45 HydrophobicContact CB-CG2 4.34Å; V15-V45 HydrophobicContact CG1-CG1 4.49Å; V15-V45 HydrophobicContact CG1-CG2 3.94Å; V15-V45 HydrophobicContact CG2-CG2 3.94Å; V15-L59 HydrophobicContact CG1-CD2 3.54Å; V15-L92 WeakPolarHBondContact CA-O 3.43Å; V15-L92 HydrophobicContact CG2-CB 4.25Å; V15-L92 HydrophobicContact CG2-CD1 4.46Å; V15-F94 HydrophobicContact CG1-CB 4.27Å
16L95.8Very high84.2Confident19 Ų1949.3 Ų49.310%0.09927%0.271CS..EExtended strand (participates in β ladder)trans-79126.3167.3-82.8157.9000109.3K22 T91 L92 Y93 F94L16-K22 HydrophobicContact CD2-CD 4.49Å; L16-K22 HydrophobicContact CD2-CG 3.67Å; L16-K22 HydrophobicContact CG-CG 4.3Å; L16-T91 HydrophobicContact CD1-CG2 3.99Å; L16-L92 PolarHBondContact N-O 3.29Å; L16-Y93 HydrophobicContact CB-CD1 3.95Å; L16-Y93 HydrophobicContact CB-CE1 4.44Å; L16-Y93 HydrophobicContact CD1-CD1 3.84Å; L16-Y93 HydrophobicContact CD1-CE1 3.47Å; L16-Y93 VanDerWaalsContact CD1-CE1 3.47Å; L16-F94 PolarHBondContact O-N 3.35Å
17L96.1Very high85.7Confident12 Ų1246.4 Ų46.46%0.06324%0.244CC..  trans-93.2165.7-179.8-60.5-176.8000111.5V15 D19 E20 S21 L23 V45 V49 F94V15-L17 HydrophobicContact CG1-CD2 3.89Å; L17-D19 WeakPolarHBondContact CB-OD1 3.45Å; L17-D19 PolarHBondContact O-N 3.49Å; L17-E20 WeakPolarHBondContact O-CA 3.26Å; L17-E20 PolarHBondContact O-N 3.19Å; L17-S21 PolarHBondContact N-O 3.28Å; L17-L23 HydrophobicContact CD1-CB 4.4Å; L17-V45 HydrophobicContact CD2-CG1 3.96Å; L17-V49 HydrophobicContact CD1-CG2 4.06Å; L17-V49 HydrophobicContact CD2-CG2 4.22Å; L17-F94 HydrophobicContact CD2-CB 3.74Å; L17-F94 HydrophobicContact CD2-CD1 4.31Å; L17-F94 HydrophobicContact CD2-CG 4.1Å
18L94.8Very high87Confident3 Ų347.5 Ų47.52%0.01624%0.241CC..THydrogen-bonded Turntrans-68.9-17.3-177.4-74.4172.3000113.4F94 Q114 L117 Q118 Q121L18-F94 HydrophobicContact CD1-CD1 3.97Å; L18-F94 HydrophobicContact CD1-CE1 3.99Å; L18-F94 HydrophobicContact CG-CD1 3.91Å; L18-F94 HydrophobicContact CG-CE1 4.42Å; L18-Q114 HydrophobicContact CD1-CB 4.34Å; L18-Q114 WeakPolarHBondContact CD1-O 3.42Å; L18-L117 HydrophobicContact CB-CB 3.95Å; L18-L117 HydrophobicContact CB-CD1 4.28Å; L18-Q118 HydrophobicContact CD1-CB 4.03Å; L18-Q118 HydrophobicContact CD2-CB 3.98Å; L18-Q118 HydrophobicContact CD2-CG 4.47Å; L18-Q121 PolarHBondContact O-NE2 3.4Å; L18-Q121 VanDerWaalsContact O-NE2 3.11Å
19D91.6Very high88Confident36 Ų3649.3 Ų49.319%0.19324%0.241CC..THydrogen-bonded Turntrans-89.912.4172.582.3-43.2000112.5L17 S21 L117 S347L17-D19 WeakPolarHBondContact CB-OD1 3.45Å; L17-D19 PolarHBondContact O-N 3.49Å; D19-S21 PolarHBondContact O-N 3.27Å; D19-S21 VanDerWaalsContact OD1-CB 3.3Å; D19-S21 WeakPolarHBondContact OD1-CB 3.41Å; D19-S21 PolarHBondContact OD1-N 3.09Å; D19-S21 PolarHBondContact OD1-OG 3.26Å; D19-S21 PolarHBondContact OD2-OG 2.61Å; D19-L117 HydrophobicContact CB-CD1 3.81Å; D19-S347 WeakPolarHBondContact OD2-CB 3.44Å; D19-S347 PolarHBondContact OD2-OG 3.36Å
20E90.1Very high88.9Confident58 Ų5845.2 Ų45.227%0.27122%0.222SC..SBendtrans67.44.3-178.9-49.9-178.8-151.800115.3L17 K350L17-E20 WeakPolarHBondContact O-CA 3.26Å; L17-E20 PolarHBondContact O-N 3.19Å; E20-K350 WeakPolarHBondContact OE2-CD 3.16Å; E20-K350 WeakPolarHBondContact OE2-CE 3.41Å; E20-K350 IonicContact OE2-NZ 3.76Å; E20-K350 PolarHBondContact OE2-NZ 3.43Å
21S92.7Very high89.4Confident42 Ų4241.6 Ų41.629%0.29422%0.216SC..  trans-72.6163.9171.674.50000112.3L17 D19L17-S21 PolarHBondContact N-O 3.28Å; D19-S21 PolarHBondContact O-N 3.27Å; D19-S21 VanDerWaalsContact OD1-CB 3.3Å; D19-S21 WeakPolarHBondContact OD1-CB 3.41Å; D19-S21 PolarHBondContact OD1-N 3.09Å; D19-S21 PolarHBondContact OD1-OG 3.26Å; D19-S21 PolarHBondContact OD2-OG 2.61Å
22K93.1Very high89.5Confident78 Ų7841.6 Ų41.634%0.33922%0.216SC..EExtended strand (participates in β ladder)trans-117.6119.3179.6-72.5-171.4175-1630111.2E14 L16E14-K22 WeakPolarHBondContact OE2-CE 3.13Å; E14-K22 IonicContact OE2-NZ 2.76Å; E14-K22 PolarHBondContact OE2-NZ 3.2Å; L16-K22 HydrophobicContact CD2-CD 4.49Å; L16-K22 HydrophobicContact CD2-CG 3.67Å; L16-K22 HydrophobicContact CG-CG 4.3Å
23L93.3Very high89.6Confident21 Ų2142.6 Ų42.611%0.1122%0.222CC..EExtended strand (participates in β ladder)trans-94.5109.6165.117462.2000109.1V15 L17 L25 V45 H48V15-L23 HydrophobicContact CB-CB 4.3Å; V15-L23 PolarHBondContact N-O 3.44Å; V15-L23 PolarHBondContact O-N 3.37Å; L17-L23 HydrophobicContact CD1-CB 4.4Å; L23-L25 HydrophobicContact CD1-CD2 4.31Å; L23-L25 HydrophobicContact CD2-CD2 4.18Å; L23-L25 HydrophobicContact CG-CD2 4Å; L23-L25 HydrophobicContact CG-CG 4.24Å; L23-V45 HydrophobicContact CD2-CG2 4.11Å; L23-H48 HydrophobicContact CD2-CB 3.89Å
24T92.6Very high89.5Confident50 Ų5045 Ų4531%0.30723%0.233SC..EExtended strand (participates in β ladder)trans-81.2131.7173.747.10000110.4Y12 E14 Q30Y12-T24 HydrophobicContact CE2-CG2 4.41Å; Y12-T24 WeakPolarHBondContact OH-CG2 3.45Å; E14-T24 HydrophobicContact CG-CG2 4.41Å; T24-Q30 PolarHBondContact O-NE2 2.62Å
25L90.3Very high89.3Confident2 Ų247.8 Ų47.81%0.0126%0.256CS..EExtended strand (participates in β ladder)trans-123.6120.6-178.6-66-179.3000109.7C13 V15 L23 Q30 I32 V41 H44C13-L25 HydrophobicContact CB-CB 4.24Å; C13-L25 PolarHBondContact N-O 3.27Å; C13-L25 PolarHBondContact O-N 3.49Å; V15-L25 HydrophobicContact CG2-CD1 3.61Å; V15-L25 HydrophobicContact CG2-CG 4.28Å; L23-L25 HydrophobicContact CD1-CD2 4.31Å; L23-L25 HydrophobicContact CD2-CD2 4.18Å; L23-L25 HydrophobicContact CG-CD2 4Å; L23-L25 HydrophobicContact CG-CG 4.24Å; L25-Q30 HydrophobicContact CD2-CB 4.45Å; L25-Q30 HydrophobicContact CD2-CG 3.9Å; L25-I32 HydrophobicContact CB-CD1 4.08Å; L25-I32 HydrophobicContact CD1-CD1 3.96Å; L25-I32 HydrophobicContact CD2-CD1 4.33Å; L25-I32 HydrophobicContact CG-CD1 4.36Å; L25-V41 HydrophobicContact CD1-CG1 3.8Å; L25-H44 HydrophobicContact CD2-CB 4.47Å
26T86.8Confident89.1Confident26 Ų2648.8 Ų48.816%0.1626%0.261CS..EExtended strand (participates in β ladder)trans-129.5158.8-170.867.80000112.4F11 Y12 Q28 Q29 Q30 G31 I32F11-T26 WeakPolarHBondContact O-CA 3.44Å; Y12-T26 HydrophobicContact CD2-CG2 3.97Å; Y12-T26 HydrophobicContact CE2-CG2 4.35Å; T26-Q28 VanDerWaalsContact C-N 3.25Å; T26-Q28 PolarHBondContact O-N 3.07Å; T26-Q29 WeakPolarHBondContact OG1-CB 3.41Å; T26-Q29 PolarHBondContact OG1-N 3.44Å; T26-Q29 VanDerWaalsContact OG1-N 3.07Å; T26-Q30 PolarHBondContact O-N 2.8Å; T26-Q30 PolarHBondContact O-OE1 3.07Å; T26-Q30 PolarHBondContact OG1-OE1 2.82Å; T26-G31 PolarHBondContact O-N 3.45Å; T26-I32 PolarHBondContact O-N 3.1Å
27T84.2Confident89Confident30 Ų3053.1 Ų53.118%0.18428%0.279CS..THydrogen-bonded Turntrans-63-30.5171.3-54.60000113.1F11 G31 I32 K33F11-T27 WeakPolarHBondContact CB-OG1 3.45Å; F11-T27 PolarHBondContact N-OG1 3.42Å; F11-T27 PolarHBondContact O-N 3.26Å; T27-G31 VanDerWaalsContact O-CA 3.27Å; T27-G31 WeakPolarHBondContact O-CA 3.41Å; T27-G31 PolarHBondContact O-N 3.12Å; T27-I32 WeakPolarHBondContact CA-O 3.09Å; T27-I32 WeakPolarHBondContact CB-O 3.34Å; T27-I32 PolarHBondContact OG1-O 3.04Å; T27-K33 HydrophobicContact CG2-CD 4.28Å; T27-K33 VanDerWaalsContact CG2-CE 3.47Å; T27-K33 HydrophobicContact CG2-CG 3.82Å
28Q77.8Confident88.9Confident153 Ų15352.5 Ų52.572%0.71528%0.276SS*.THydrogen-bonded Turntrans-78.5-48-178.1-60.1-170.316.200112.6E10 T26E10-Q28 PolarHBondContact OE1-NE2 3Å; T26-Q28 VanDerWaalsContact C-N 3.25Å; T26-Q28 PolarHBondContact O-N 3.07Å
29Q78.4Confident88.8Confident136 Ų13654 Ų5464%0.63629%0.287SS*.THydrogen-bonded Turntrans-85.1-38.6-172.5-65.5174.4-12.600113.7T26T26-Q29 WeakPolarHBondContact OG1-CB 3.41Å; T26-Q29 PolarHBondContact OG1-N 3.44Å; T26-Q29 VanDerWaalsContact OG1-N 3.07Å
30Q82.2Confident88.9Confident49 Ų4955.7 Ų55.723%0.22930%0.295CS..SBendtrans-120.67.3-176.1-54.284.96.400113.1T24 L25 T26 I32T24-Q30 PolarHBondContact O-NE2 2.62Å; L25-Q30 HydrophobicContact CD2-CB 4.45Å; L25-Q30 HydrophobicContact CD2-CG 3.9Å; T26-Q30 PolarHBondContact O-N 2.8Å; T26-Q30 PolarHBondContact O-OE1 3.07Å; T26-Q30 PolarHBondContact OG1-OE1 2.82Å; Q30-I32 HydrophobicContact CB-CD1 4.26Å; Q30-I32 HydrophobicContact CB-CG1 3.97Å; Q30-I32 WeakPolarHBondContact O-CG1 3.24Å; Q30-I32 PolarHBondContact O-N 3.19Å; Q30-I32 VanDerWaalsContact O-N 3.14Å
31G83.3Confident89.1Confident43 Ų4353 Ų5344%0.44328%0.283SS..  trans697.9176.700000115.2T26 T27T26-G31 PolarHBondContact O-N 3.45Å; T27-G31 VanDerWaalsContact O-CA 3.27Å; T27-G31 WeakPolarHBondContact O-CA 3.41Å; T27-G31 PolarHBondContact O-N 3.12Å
32I87.1Confident89.1Confident1 Ų151.6 Ų51.61%0.00527%0.272CS..  trans-74136.1-171.8-53.1-166000110.6F11 L25 T26 T27 Q30 T36 V41 L77F11-I32 WeakPolarHBondContact CB-O 3.46Å; F11-I32 HydrophobicContact CD1-CB 4.32Å; F11-I32 HydrophobicContact CD1-CG2 3.69Å; F11-I32 HydrophobicContact CE1-CG2 3.75Å; L25-I32 HydrophobicContact CB-CD1 4.08Å; L25-I32 HydrophobicContact CD1-CD1 3.96Å; L25-I32 HydrophobicContact CD2-CD1 4.33Å; L25-I32 HydrophobicContact CG-CD1 4.36Å; T26-I32 PolarHBondContact O-N 3.1Å; T27-I32 WeakPolarHBondContact CA-O 3.09Å; T27-I32 WeakPolarHBondContact CB-O 3.34Å; T27-I32 PolarHBondContact OG1-O 3.04Å; Q30-I32 HydrophobicContact CB-CD1 4.26Å; Q30-I32 HydrophobicContact CB-CG1 3.97Å; Q30-I32 WeakPolarHBondContact O-CG1 3.24Å; Q30-I32 PolarHBondContact O-N 3.19Å; Q30-I32 VanDerWaalsContact O-N 3.14Å; I32-T36 HydrophobicContact CG2-CG2 4.11Å; I32-V41 HydrophobicContact CD1-CG2 4.29Å; I32-V41 HydrophobicContact CG2-CG2 4.29Å; I32-L77 HydrophobicContact CG2-CD1 3.87Å
33K90.1Very high89.2Confident108 Ų10851.2 Ų51.247%0.4727%0.274SS..  trans-139.4167.2-177.4-63.9177.1-174.5179.80109.1T27 S35 T36T27-K33 HydrophobicContact CG2-CD 4.28Å; T27-K33 VanDerWaalsContact CG2-CE 3.47Å; T27-K33 HydrophobicContact CG2-CG 3.82Å; K33-S35 PolarHBondContact O-N 2.9Å; K33-S35 VanDerWaalsContact O-N 3.08Å; K33-T36 PolarHBondContact N-OG1 2.61Å; K33-T36 WeakPolarHBondContact O-CB 3.37Å; K33-T36 PolarHBondContact O-N 2.81Å; K33-T36 PolarHBondContact O-OG1 2.69Å
34K89.4Confident89.2Confident51 Ų5153.4 Ų53.422%0.22228%0.283CS..THydrogen-bonded Turntrans-55.8-27.9173.9-62.4-179-177.8172.50113.1E9 F11 L77 A78 I84 Y90E9-K34 IonicContact OE1-NZ 2.74Å; E9-K34 PolarHBondContact OE1-NZ 2.91Å; E9-K34 WeakPolarHBondContact OE2-CD 3.38Å; E9-K34 WeakPolarHBondContact OE2-CE 3.49Å; E9-K34 IonicContact OE2-NZ 3.63Å; E9-K34 PolarHBondContact OE2-NZ 3.32Å; F11-K34 HydrophobicContact CD2-CG 3.61Å; F11-K34 HydrophobicContact CE2-CG 3.99Å; K34-L77 PolarHBondContact O-N 3.13Å; K34-A78 HydrophobicContact CB-CB 4.23Å; K34-A78 WeakPolarHBondContact O-CB 3.32Å; K34-A78 PolarHBondContact O-N 3.01Å; K34-I84 HydrophobicContact CG-CD1 4.32Å; K34-Y90 WeakPolarHBondContact CE-OH 3.41Å
35S89.6Confident89.3Confident86 Ų8651 Ų5160%0.60127%0.269SS*.THydrogen-bonded Turntrans-82.4-7.2175.352.30000115.1K33 T76K33-S35 PolarHBondContact O-N 2.9Å; K33-S35 VanDerWaalsContact O-N 3.08Å; S35-T76 VanDerWaalsContact O-CG2 3.31Å; S35-T76 WeakPolarHBondContact O-CG2 3.45Å
36T92.7Very high89.5Confident20 Ų2051.7 Ų51.712%0.12327%0.272CS..SBendtrans-66.4146174.7-59.60000110.2I32 K33 I40 V41 T76 L77I32-T36 HydrophobicContact CG2-CG2 4.11Å; K33-T36 PolarHBondContact N-OG1 2.61Å; K33-T36 WeakPolarHBondContact O-CB 3.37Å; K33-T36 PolarHBondContact O-N 2.81Å; K33-T36 PolarHBondContact O-OG1 2.69Å; T36-I40 HydrophobicContact CG2-CB 3.76Å; T36-I40 HydrophobicContact CG2-CD1 4.08Å; T36-I40 HydrophobicContact CG2-CG2 3.84Å; T36-V41 HydrophobicContact CG2-CG2 4.4Å; T36-T76 CarbonylContact O-C 3.59Å; T36-T76 VanDerWaalsContact O-CA 3.24Å; T36-T76 WeakPolarHBondContact O-CA 3.48Å; T36-L77 PolarHBondContact O-N 2.77Å
37K94.1Very high89.8Confident110 Ų11057.8 Ų57.848%0.47830%0.298SS..BIsolated β-bridgetrans-79.6147.5177-68.8-177.3-179.8177.40112.1S39 I40 V41 K75 T76K37-S39 PolarHBondContact O-N 3.38Å; K37-I40 HydrophobicContact CB-CD1 4.28Å; K37-I40 HydrophobicContact CB-CG1 4.44Å; K37-I40 PolarHBondContact O-N 3.08Å; K37-V41 PolarHBondContact O-N 3.27Å; K37-K75 CarbonylContact C-O 3.52Å; K37-K75 VanDerWaalsContact CA-O 3.25Å; K37-K75 WeakPolarHBondContact CA-O 3.48Å; K37-T76 HydrophobicContact CG-CG2 4.39Å
38G92.8Very high90.2Very high0 Ų061.7 Ų61.70%031%0.314CS..Hα-helixtrans-56.6-31.7174.100000113.2I40 V41 L42 K75G38-I40 PolarHBondContact O-N 2.89Å; G38-V41 PolarHBondContact O-N 3.25Å; G38-L42 WeakPolarHBondContact O-CG 3.38Å; G38-L42 PolarHBondContact O-N 3.34Å; G38-K75 PolarHBondContact N-O 2.82Å
39S93.1Very high90.8Very high35 Ų3555.2 Ų55.225%0.24528%0.284CS..Hα-helixtrans-58.5-45.1172.465.30000112.5K37 V41 L42 D43 P73K37-S39 PolarHBondContact O-N 3.38Å; S39-V41 VanDerWaalsContact C-N 3.32Å; S39-V41 PolarHBondContact O-N 3.39Å; S39-L42 CarbonylContact O-C 3.49Å; S39-L42 WeakPolarHBondContact O-CB 3.25Å; S39-L42 PolarHBondContact O-N 2.87Å; S39-L42 VanDerWaalsContact O-N 3.16Å; S39-D43 PolarHBondContact O-N 3.08Å; S39-D43 VanDerWaalsContact O-OD2 3.05Å; S39-P73 WeakPolarHBondContact CB-O 3.27Å; S39-P73 PolarHBondContact N-O 3.26Å; S39-P73 VanDerWaalsContact N-O 3.1Å
40I93.3Very high91.5Very high71 Ų7152.7 Ų52.736%0.36428%0.275SS..Hα-helixtrans-66.5-36.7-177.6-61.7166.2000110.6T36 K37 G38 D43 H44T36-I40 HydrophobicContact CG2-CB 3.76Å; T36-I40 HydrophobicContact CG2-CD1 4.08Å; T36-I40 HydrophobicContact CG2-CG2 3.84Å; K37-I40 HydrophobicContact CB-CD1 4.28Å; K37-I40 HydrophobicContact CB-CG1 4.44Å; K37-I40 PolarHBondContact O-N 3.08Å; G38-I40 PolarHBondContact O-N 2.89Å; I40-D43 PolarHBondContact O-N 3.5Å; I40-H44 PolarHBondContact O-CD2 3.4Å; I40-H44 PolarHBondContact O-N 2.99Å
41V93.6Very high91.9Very high1 Ų150.9 Ų50.91%0.00627%0.267CS..Hα-helixtrans-65.7-42.9174.3-170.60000111.1L25 I32 T36 K37 G38 S39 H44 V45 L59 L77 L92L25-V41 HydrophobicContact CD1-CG1 3.8Å; I32-V41 HydrophobicContact CD1-CG2 4.29Å; I32-V41 HydrophobicContact CG2-CG2 4.29Å; T36-V41 HydrophobicContact CG2-CG2 4.4Å; K37-V41 PolarHBondContact O-N 3.27Å; G38-V41 PolarHBondContact O-N 3.25Å; S39-V41 VanDerWaalsContact C-N 3.32Å; S39-V41 PolarHBondContact O-N 3.39Å; V41-H44 PolarHBondContact O-N 3.49Å; V41-V45 WeakPolarHBondContact O-CG2 3.23Å; V41-V45 PolarHBondContact O-N 3.23Å; V41-L59 HydrophobicContact CB-CD1 4.36Å; V41-L59 HydrophobicContact CG1-CD1 3.8Å; V41-L77 HydrophobicContact CG2-CD1 3.83Å; V41-L77 HydrophobicContact CG2-CD2 4.02Å; V41-L77 HydrophobicContact CG2-CG 4.32Å; V41-L92 HydrophobicContact CG1-CD1 3.87Å
42L94.6Very high92.2Very high12 Ų1250.2 Ų50.26%0.06325%0.254CS..Hα-helixtrans-60.4-45.8173.3-75.1161.6000111.3G38 S39 H44 V45 F46 L59 P73G38-L42 WeakPolarHBondContact O-CG 3.38Å; G38-L42 PolarHBondContact O-N 3.34Å; S39-L42 CarbonylContact O-C 3.49Å; S39-L42 WeakPolarHBondContact O-CB 3.25Å; S39-L42 PolarHBondContact O-N 2.87Å; S39-L42 VanDerWaalsContact O-N 3.16Å; L42-H44 PolarHBondContact O-N 2.85Å; L42-V45 PolarHBondContact O-N 3.2Å; L42-V45 VanDerWaalsContact O-N 3.12Å; L42-F46 HydrophobicContact CB-CD2 4.24Å; L42-F46 HydrophobicContact CB-CE2 3.69Å; L42-F46 HydrophobicContact CB-CZ 4.07Å; L42-F46 HydrophobicContact CD2-CE1 4.38Å; L42-F46 HydrophobicContact CD2-CE2 4.34Å; L42-F46 HydrophobicContact CD2-CZ 3.84Å; L42-F46 HydrophobicContact CG-CZ 4.5Å; L42-F46 WeakPolarHBondContact O-CD2 3.34Å; L42-F46 WeakPolarHBondContact O-CG 3.2Å; L42-F46 PolarHBondContact O-N 3.25Å; L42-L59 HydrophobicContact CD2-CB 4.16Å; L42-L59 HydrophobicContact CD2-CD1 3.73Å; L42-L59 HydrophobicContact CD2-CG 3.65Å; L42-L59 HydrophobicContact CG-CD1 3.97Å; L42-L59 HydrophobicContact CG-CG 4.41Å; L42-P73 HydrophobicContact CD1-CB 4.08Å; L42-P73 HydrophobicContact CD1-CG 3.72Å
43D93.6Very high92.3Very high70 Ų7050.5 Ų50.537%0.37426%0.256SS..Hα-helixtrans-56.7-47.4178.1-61.8-35.7000110.8S39 I40 V45 F46 H47S39-D43 PolarHBondContact O-N 3.08Å; S39-D43 VanDerWaalsContact O-OD2 3.05Å; I40-D43 PolarHBondContact O-N 3.5Å; D43-V45 VanDerWaalsContact C-N 3.34Å; D43-V45 PolarHBondContact O-N 3.41Å; D43-F46 PolarHBondContact O-N 2.79Å; D43-H47 PolarHBondContact O-N 3.49Å; D43-H47 PolarHBondContact O-ND1 3.38Å
44H93.9Very high92.3Very high68 Ų6847.3 Ų47.332%0.31524%0.244SC..Hα-helixtrans-58.8-41.5175.7-76.4-66.2000113.1L25 I40 V41 L42 H48L25-H44 HydrophobicContact CD2-CB 4.47Å; I40-H44 PolarHBondContact O-CD2 3.4Å; I40-H44 PolarHBondContact O-N 2.99Å; V41-H44 PolarHBondContact O-N 3.49Å; L42-H44 PolarHBondContact O-N 2.85Å; H44-H48 WeakPolarHBondContact O-CB 3.35Å; H44-H48 PolarHBondContact O-N 3.48Å
45V95Very high92.3Very high0 Ų046 Ų460%024%0.239CC..Hα-helixtrans-67.7-44.5177.7175.80000111.1V15 L17 L23 V41 L42 D43 H47 H48 V49 L59 F94V15-V45 HydrophobicContact CB-CG2 4.34Å; V15-V45 HydrophobicContact CG1-CG1 4.49Å; V15-V45 HydrophobicContact CG1-CG2 3.94Å; V15-V45 HydrophobicContact CG2-CG2 3.94Å; L17-V45 HydrophobicContact CD2-CG1 3.96Å; L23-V45 HydrophobicContact CD2-CG2 4.11Å; V41-V45 WeakPolarHBondContact O-CG2 3.23Å; V41-V45 PolarHBondContact O-N 3.23Å; L42-V45 PolarHBondContact O-N 3.2Å; L42-V45 VanDerWaalsContact O-N 3.12Å; D43-V45 VanDerWaalsContact C-N 3.34Å; D43-V45 PolarHBondContact O-N 3.41Å; V45-H47 PolarHBondContact O-N 2.93Å; V45-H48 PolarHBondContact O-N 2.63Å; V45-V49 HydrophobicContact CG1-CG2 4.48Å; V45-V49 WeakPolarHBondContact O-CG2 3.37Å; V45-V49 PolarHBondContact O-N 3.42Å; V45-L59 HydrophobicContact CG2-CD1 4.21Å; V45-L59 HydrophobicContact CG2-CD2 4.28Å; V45-F94 HydrophobicContact CG1-CB 4.5Å; V45-F94 HydrophobicContact CG1-CD2 3.57Å; V45-F94 HydrophobicContact CG1-CE2 3.97Å; V45-F94 HydrophobicContact CG1-CG 4.1Å
46F94.1Very high92.4Very high16 Ų1643.3 Ų43.37%0.0722%0.216CC..Hα-helixtrans-63.2-39.8178.7-61.3-37.1000112.6L42 D43 N50 L51 I54 F57 F94L42-F46 HydrophobicContact CB-CD2 4.24Å; L42-F46 HydrophobicContact CB-CE2 3.69Å; L42-F46 HydrophobicContact CB-CZ 4.07Å; L42-F46 HydrophobicContact CD2-CE1 4.38Å; L42-F46 HydrophobicContact CD2-CE2 4.34Å; L42-F46 HydrophobicContact CD2-CZ 3.84Å; L42-F46 HydrophobicContact CG-CZ 4.5Å; L42-F46 WeakPolarHBondContact O-CD2 3.34Å; L42-F46 WeakPolarHBondContact O-CG 3.2Å; L42-F46 PolarHBondContact O-N 3.25Å; D43-F46 PolarHBondContact O-N 2.79Å; F46-N50 WeakPolarHBondContact O-CA 3.46Å; F46-N50 PolarHBondContact O-N 3.06Å; F46-L51 PolarHBondContact O-N 3.05Å; F46-I54 HydrophobicContact CB-CG2 3.74Å; F46-I54 HydrophobicContact CD1-CB 4.09Å; F46-I54 HydrophobicContact CD1-CG2 3.81Å; F46-I54 HydrophobicContact CD2-CB 3.78Å; F46-I54 HydrophobicContact CD2-CD1 4Å; F46-I54 HydrophobicContact CD2-CG1 4.48Å; F46-I54 HydrophobicContact CD2-CG2 3.64Å; F46-I54 HydrophobicContact CE1-CB 4.03Å; F46-I54 HydrophobicContact CE1-CG2 4.27Å; F46-I54 HydrophobicContact CE2-CB 3.71Å; F46-I54 HydrophobicContact CE2-CD1 4Å; F46-I54 HydrophobicContact CE2-CG1 4.32Å; F46-I54 HydrophobicContact CE2-CG2 4.11Å; F46-I54 HydrophobicContact CG-CB 3.98Å; F46-I54 HydrophobicContact CG-CG2 3.47Å; F46-I54 VanDerWaalsContact CG-CG2 3.47Å; F46-I54 HydrophobicContact CZ-CB 3.83Å; F46-I54 HydrophobicContact CZ-CG2 4.41Å; F46-F57 HydrophobicContact CE1-CB 3.91Å; F46-F94 HydrophobicContact CD1-CE2 4.18Å; F46-F94 AromaticContact CE1-CE2 3.96Å; F46-F94 HydrophobicContact CE1-CE2 3.96Å
47H92.4Very high92.5Very high154 Ų15442.9 Ų42.971%0.71321%0.212SC*.Hα-helixtrans-67.4-40.2174.9-73.780.9000111.8D43 V45 N50D43-H47 PolarHBondContact O-N 3.49Å; D43-H47 PolarHBondContact O-ND1 3.38Å; V45-H47 PolarHBondContact O-N 2.93Å; H47-N50 PolarHBondContact O-N 3.17Å
48H92.4Very high92.6Very high111 Ų11137.9 Ų37.951%0.51419%0.192SC..Hα-helixtrans-64.1-40177.1-178.879.1000112.6L23 H44 V45 N50L23-H48 HydrophobicContact CD2-CB 3.89Å; H44-H48 WeakPolarHBondContact O-CB 3.35Å; H44-H48 PolarHBondContact O-N 3.48Å; V45-H48 PolarHBondContact O-N 2.63Å; H48-N50 VanDerWaalsContact C-N 3.29Å
49V92Very high92.7Very high17 Ų1738 Ų3810%0.10319%0.192CC..THydrogen-bonded Turntrans-85.70.5176.3-170.30000112.1L17 V45 L51 I110 Q114L17-V49 HydrophobicContact CD1-CG2 4.06Å; L17-V49 HydrophobicContact CD2-CG2 4.22Å; V45-V49 HydrophobicContact CG1-CG2 4.48Å; V45-V49 WeakPolarHBondContact O-CG2 3.37Å; V45-V49 PolarHBondContact O-N 3.42Å; V49-L51 VanDerWaalsContact C-N 3.29Å; V49-L51 HydrophobicContact CB-CD1 4.08Å; V49-L51 HydrophobicContact CB-CG 4.25Å; V49-L51 HydrophobicContact CG1-CD1 3.81Å; V49-L51 HydrophobicContact CG1-CG 3.95Å; V49-L51 PolarHBondContact O-N 3.19Å; V49-I110 HydrophobicContact CG1-CD1 4.32Å; V49-I110 WeakPolarHBondContact O-CG1 3.26Å; V49-Q114 HydrophobicContact CG1-CG 4.07Å
50N91.8Very high92.8Very high83 Ų8337.8 Ų37.844%0.44419%0.186SC..THydrogen-bonded Turntrans54.833.7-178.9-170.622.8000115F46 H47 H48 R339F46-N50 WeakPolarHBondContact O-CA 3.46Å; F46-N50 PolarHBondContact O-N 3.06Å; H47-N50 PolarHBondContact O-N 3.17Å; H48-N50 VanDerWaalsContact C-N 3.29Å; N50-R339 PolarHBondContact O-NH2 2.81Å; N50-R339 PolarHBondContact OD1-NH1 2.9Å
51L91.1Very high92.8Very high11 Ų1135.1 Ų35.16%0.05817%0.172CC..  trans-85.4128.7-178.7-73.5165.3000112.2F46 V49 I54 F57 F94 I110 Q114F46-L51 PolarHBondContact O-N 3.05Å; V49-L51 VanDerWaalsContact C-N 3.29Å; V49-L51 HydrophobicContact CB-CD1 4.08Å; V49-L51 HydrophobicContact CB-CG 4.25Å; V49-L51 HydrophobicContact CG1-CD1 3.81Å; V49-L51 HydrophobicContact CG1-CG 3.95Å; V49-L51 PolarHBondContact O-N 3.19Å; L51-I54 HydrophobicContact CB-CG2 4.12Å; L51-I54 WeakPolarHBondContact O-CG2 3.4Å; L51-F57 HydrophobicContact CD1-CD2 4.14Å; L51-F57 HydrophobicContact CD1-CE2 4.07Å; L51-F57 HydrophobicContact CD1-CG 4.47Å; L51-F57 HydrophobicContact CD1-CZ 4.34Å; L51-F57 HydrophobicContact CD2-CE2 4.05Å; L51-F57 HydrophobicContact CD2-CZ 4.27Å; L51-F94 HydrophobicContact CD1-CE1 4.2Å; L51-F94 HydrophobicContact CD1-CE2 4.49Å; L51-F94 HydrophobicContact CD1-CZ 3.55Å; L51-I110 HydrophobicContact CD2-CG1 3.98Å; L51-I110 HydrophobicContact CD2-CG2 4.21Å; L51-I110 HydrophobicContact CG-CG1 4.45Å; L51-Q114 HydrophobicContact CD1-CG 4.46Å; L51-Q114 HydrophobicContact CD2-CG 4.3Å
52V88.6Confident92.6Very high29 Ų2935.6 Ų35.618%0.17618%0.175CC..SBendtrans-94.5-30.8163.1166.40000112.1I54 E108 I335 L337 R339V52-I54 PolarHBondContact O-N 3.11Å; V52-E108 WeakPolarHBondContact CB-OE2 3.26Å; V52-E108 PolarHBondContact N-OE2 2.98Å; V52-E108 VanDerWaalsContact N-OE2 3.13Å; V52-I335 HydrophobicContact CG1-CD1 3.54Å; V52-I335 HydrophobicContact CG1-CG2 4.31Å; V52-I335 HydrophobicContact CG2-CD1 4.12Å; V52-L337 HydrophobicContact CB-CD2 4.38Å; V52-L337 HydrophobicContact CG1-CD1 3.98Å; V52-L337 HydrophobicContact CG1-CD2 4.1Å; V52-R339 VanDerWaalsContact CG2-CZ 3.44Å
53E89.7Confident92.1Very high7 Ų736 Ų363%0.03318%0.177CC..  trans-78.745.2-178.3-63.6-161.597.200113.1D55 Y56 F57 K107 E108 T111 M329 L337E53-D55 PolarHBondContact O-N 3.21Å; E53-Y56 HydrophobicContact CB-CD2 4.46Å; E53-F57 WeakPolarHBondContact O-CD2 3.5Å; E53-F57 WeakPolarHBondContact O-CE2 3.36Å; E53-K107 PolarHBondContact OE1-N 3.16Å; E53-K107 PolarHBondContact OE2-N 3.37Å; E53-E108 HydrophobicContact CG-CG 4.28Å; E53-E108 PolarHBondContact OE2-N 2.82Å; E53-T111 HydrophobicContact CB-CG2 3.57Å; E53-T111 WeakPolarHBondContact CB-OG1 3.45Å; E53-T111 HydrophobicContact CG-CG2 4.27Å; E53-T111 WeakPolarHBondContact OE2-CB 3.48Å; E53-T111 PolarHBondContact OE2-OG1 2.87Å; E53-T111 VanDerWaalsContact OE2-OG1 3.13Å; E53-M329 HydrophobicContact CB-CE 3.4Å; E53-M329 VanDerWaalsContact CB-CE 3.4Å; E53-M329 HydrophobicContact CG-CE 3.63Å; E53-L337 HydrophobicContact CG-CD1 4.41Å
54I90.1Very high91.7Very high42 Ų4242 Ų4222%0.21520%0.195CC..G310 helixtrans-66.4-28.4-164.462.7174.2000115.6F46 L51 V52 Y56 F57F46-I54 HydrophobicContact CB-CG2 3.74Å; F46-I54 HydrophobicContact CD1-CB 4.09Å; F46-I54 HydrophobicContact CD1-CG2 3.81Å; F46-I54 HydrophobicContact CD2-CB 3.78Å; F46-I54 HydrophobicContact CD2-CD1 4Å; F46-I54 HydrophobicContact CD2-CG1 4.48Å; F46-I54 HydrophobicContact CD2-CG2 3.64Å; F46-I54 HydrophobicContact CE1-CB 4.03Å; F46-I54 HydrophobicContact CE1-CG2 4.27Å; F46-I54 HydrophobicContact CE2-CB 3.71Å; F46-I54 HydrophobicContact CE2-CD1 4Å; F46-I54 HydrophobicContact CE2-CG1 4.32Å; F46-I54 HydrophobicContact CE2-CG2 4.11Å; F46-I54 HydrophobicContact CG-CB 3.98Å; F46-I54 HydrophobicContact CG-CG2 3.47Å; F46-I54 VanDerWaalsContact CG-CG2 3.47Å; F46-I54 HydrophobicContact CZ-CB 3.83Å; F46-I54 HydrophobicContact CZ-CG2 4.41Å; L51-I54 HydrophobicContact CB-CG2 4.12Å; L51-I54 WeakPolarHBondContact O-CG2 3.4Å; V52-I54 PolarHBondContact O-N 3.11Å; I54-Y56 PolarHBondContact O-N 3.26Å; I54-Y56 VanDerWaalsContact O-N 3.12Å; I54-F57 PolarHBondContact O-N 3.03Å
55D89.2Confident91.1Very high22 Ų2243.6 Ų43.612%0.11821%0.213CC..G310 helixtrans-68-14.9-170.5-64.3-100000113.8E53 F57 F98 F294 R324 M329E53-D55 PolarHBondContact O-N 3.21Å; D55-F57 VanDerWaalsContact C-N 3.33Å; D55-F98 WeakPolarHBondContact O-CD2 3.44Å; D55-F294 HydrophobicContact CB-CE2 4Å; D55-R324 WeakPolarHBondContact OD1-CB 3.34Å; D55-R324 PolarHBondContact OD1-N 2.82Å; D55-R324 IonicContact OD1-NE 3.54Å; D55-R324 IonicContact OD2-CZ 2.69Å; D55-R324 IonicContact OD2-NE 2.84Å; D55-R324 PolarHBondContact OD2-NE 2.92Å; D55-R324 IonicContact OD2-NH2 3.19Å; D55-R324 PolarHBondContact OD2-NH2 2.68Å; D55-M329 HydrophobicContact CB-SD 4.03Å
56Y92.7Very high90.4Very high30 Ų3047.8 Ų47.812%0.11823%0.233CC..G310 helixtrans-74.4-20.6171.8-66.6-64.7000113.7E53 I54 K97 F98 A100 L106 F115 F294 M329E53-Y56 HydrophobicContact CB-CD2 4.46Å; I54-Y56 PolarHBondContact O-N 3.26Å; I54-Y56 VanDerWaalsContact O-N 3.12Å; Y56-K97 PolarHBondContact O-N 3.25Å; Y56-F98 HydrophobicContact CD1-CB 4.45Å; Y56-F98 VanDerWaalsContact CD1-O 3.3Å; Y56-F98 WeakPolarHBondContact CD1-O 3.36Å; Y56-F98 PolarHBondContact O-N 2.81Å; Y56-A100 HydrophobicContact CE1-CB 4.32Å; Y56-L106 HydrophobicContact CD2-CD2 3.83Å; Y56-L106 HydrophobicContact CE2-CD2 3.25Å; Y56-F115 HydrophobicContact CD1-CZ 4.4Å; Y56-F115 HydrophobicContact CD2-CE2 4.45Å; Y56-F115 HydrophobicContact CG-CE2 4.2Å; Y56-F115 HydrophobicContact CG-CZ 4.28Å; Y56-F294 AromaticContact CD1-CE1 3.9Å; Y56-F294 HydrophobicContact CD1-CE1 3.9Å; Y56-F294 AromaticContact CD1-CZ 3.7Å; Y56-F294 HydrophobicContact CD1-CZ 3.7Å; Y56-F294 AromaticContact CE1-CE1 3.81Å; Y56-F294 HydrophobicContact CE1-CE1 3.81Å; Y56-F294 AromaticContact CE1-CZ 3.67Å; Y56-F294 HydrophobicContact CE1-CZ 3.67Å; Y56-M329 HydrophobicContact CD2-CE 3.8Å; Y56-M329 HydrophobicContact CD2-SD 4.43Å; Y56-M329 HydrophobicContact CE2-CE 3.35Å; Y56-M329 HydrophobicContact CE2-SD 4.08Å
57F95.3Very high89.8Confident11 Ų1150.1 Ų50.15%0.04824%0.244CC..EExtended strand (participates in β ladder)trans-106.9171.4-167.3-60.1-84.9000113F46 L51 E53 I54 D55 F94 I96 T111 Q114 F115F46-F57 HydrophobicContact CE1-CB 3.91Å; L51-F57 HydrophobicContact CD1-CD2 4.14Å; L51-F57 HydrophobicContact CD1-CE2 4.07Å; L51-F57 HydrophobicContact CD1-CG 4.47Å; L51-F57 HydrophobicContact CD1-CZ 4.34Å; L51-F57 HydrophobicContact CD2-CE2 4.05Å; L51-F57 HydrophobicContact CD2-CZ 4.27Å; E53-F57 WeakPolarHBondContact O-CD2 3.5Å; E53-F57 WeakPolarHBondContact O-CE2 3.36Å; I54-F57 PolarHBondContact O-N 3.03Å; D55-F57 VanDerWaalsContact C-N 3.33Å; F57-F94 HydrophobicContact CB-CE2 3.74Å; F57-F94 HydrophobicContact CB-CZ 3.8Å; F57-F94 AromaticContact CD1-CE1 3.9Å; F57-F94 HydrophobicContact CD1-CE1 3.9Å; F57-F94 HydrophobicContact CD1-CE2 4.21Å; F57-F94 AromaticContact CD1-CZ 3.44Å; F57-F94 HydrophobicContact CD1-CZ 3.44Å; F57-F94 VanDerWaalsContact CD1-CZ 3.44Å; F57-F94 HydrophobicContact CE1-CE1 4.3Å; F57-F94 HydrophobicContact CE1-CZ 4.14Å; F57-F94 HydrophobicContact CG-CE2 4.15Å; F57-F94 AromaticContact CG-CZ 3.67Å; F57-F94 HydrophobicContact CG-CZ 3.67Å; F57-I96 HydrophobicContact CD1-CG1 3.92Å; F57-I96 HydrophobicContact CE1-CD1 4.24Å; F57-I96 HydrophobicContact CE1-CG1 3.76Å; F57-T111 HydrophobicContact CE2-CG2 3.99Å; F57-T111 HydrophobicContact CZ-CG2 4.1Å; F57-Q114 HydrophobicContact CE1-CB 3.71Å; F57-Q114 HydrophobicContact CZ-CB 3.82Å; F57-F115 HydrophobicContact CZ-CD2 4.13Å; F57-F115 HydrophobicContact CZ-CE2 4.16Å
58G95.3Very high89.5Confident5 Ų545.4 Ų45.45%0.05223%0.226CC..EExtended strand (participates in β ladder)trans-170.1-175.7169.800000112.7G95G58-G95 PolarHBondContact N-O 3.41Å; G58-G95 PolarHBondContact O-N 2.72Å; G58-G95 VanDerWaalsContact O-N 3.09Å
59L95.9Very high89.3Confident2 Ų243.6 Ų43.61%0.0122%0.215CC..EExtended strand (participates in β ladder)trans-110.2129.2172.8-68.8164.8000109.4V15 V41 L42 V45 L71 L92 Y93 F94V15-L59 HydrophobicContact CG1-CD2 3.54Å; V41-L59 HydrophobicContact CB-CD1 4.36Å; V41-L59 HydrophobicContact CG1-CD1 3.8Å; L42-L59 HydrophobicContact CD2-CB 4.16Å; L42-L59 HydrophobicContact CD2-CD1 3.73Å; L42-L59 HydrophobicContact CD2-CG 3.65Å; L42-L59 HydrophobicContact CG-CD1 3.97Å; L42-L59 HydrophobicContact CG-CG 4.41Å; V45-L59 HydrophobicContact CG2-CD1 4.21Å; V45-L59 HydrophobicContact CG2-CD2 4.28Å; L59-L71 HydrophobicContact CB-CB 4.07Å; L59-L71 HydrophobicContact CB-CD2 4.04Å; L59-L71 HydrophobicContact CD1-CD2 3.93Å; L59-L71 WeakPolarHBondContact O-CB 3.49Å; L59-L71 PolarHBondContact O-N 3.05Å; L59-L92 HydrophobicContact CD1-CD1 3.99Å; L59-L92 HydrophobicContact CD2-CB 4.18Å; L59-Y93 CarbonylContact C-O 3.5Å; L59-Y93 WeakPolarHBondContact CA-O 3.42Å; L59-F94 HydrophobicContact CD2-CB 4.21Å; L59-F94 HydrophobicContact CD2-CD2 4.42Å
60R94.4Very high89.3Confident31 Ų3145.8 Ų45.812%0.11722%0.222CC..EExtended strand (participates in β ladder)trans-98.9161.4170.1-53.5177.6-164.3137.210.7109.8Y69 W70 L92 Y93 I96 W414R60-Y69 CarbonylContact C-O 3.5Å; R60-Y69 VanDerWaalsContact CA-O 3.23Å; R60-Y69 WeakPolarHBondContact CA-O 3.42Å; R60-W70 HydrophobicContact CG-CD2 3.99Å; R60-W70 HydrophobicContact CG-CE3 3.65Å; R60-W70 HydrophobicContact CG-CH2 3.59Å; R60-W70 HydrophobicContact CG-CZ2 3.92Å; R60-W70 HydrophobicContact CG-CZ3 3.43Å; R60-W70 VanDerWaalsContact CG-CZ3 3.43Å; R60-W70 VanDerWaalsContact NE-CZ2 3.28Å; R60-L92 CarbonylContact O-C 3.56Å; R60-L92 WeakPolarHBondContact O-CA 3.42Å; R60-Y93 PolarHBondContact N-O 2.88Å; R60-Y93 PolarHBondContact O-N 3.2Å; R60-I96 PolarHBondContact NH2-O 2.91Å; R60-W414 HydrophobicContact CB-CH2 4.02Å
61Y93.1Very high89.3Confident15 Ų1542.2 Ų42.26%0.05920%0.203CC..EExtended strand (participates in β ladder)trans-147.3163.5164.363.4-92.6000110.5T68 Y69 L71 H80 E82 L83 L92Y61-T68 WeakPolarHBondContact O-CA 3.47Å; Y61-Y69 HydrophobicContact CD2-CD2 4.27Å; Y61-Y69 AromaticContact CE2-CD2 3.75Å; Y61-Y69 HydrophobicContact CE2-CD2 3.75Å; Y61-Y69 AromaticContact CE2-CG 3.97Å; Y61-Y69 HydrophobicContact CE2-CG 3.97Å; Y61-Y69 VanDerWaalsContact CZ-CB 3.48Å; Y61-Y69 PolarHBondContact N-O 3.48Å; Y61-Y69 PolarHBondContact O-N 2.91Å; Y61-L71 HydrophobicContact CD1-CD1 4.47Å; Y61-L71 HydrophobicContact CE1-CD1 4.41Å; Y61-H80 HydrophobicContact CE1-CB 4.4Å; Y61-H80 AromaticContact CE1-ND1 3.3Å; Y61-H80 VanDerWaalsContact CE1-ND1 3.3Å; Y61-H80 WeakPolarHBondContact CE1-ND1 3.44Å; Y61-H80 AromaticContact CZ-ND1 3.42Å; Y61-H80 PolarHBondContact OH-ND1 3.17Å; Y61-E82 HydrophobicContact CE2-CB 4.16Å; Y61-L83 HydrophobicContact CD1-CB 4.48Å; Y61-L83 HydrophobicContact CD2-CB 3.9Å; Y61-L83 HydrophobicContact CE2-CB 4.11Å; Y61-L83 HydrophobicContact CG-CB 4.12Å; Y61-L83 HydrophobicContact CG-CD1 4.22Å; Y61-L92 HydrophobicContact CD1-CD2 4.41Å
62C88.9Confident89.3Confident11 Ų1143.7 Ų43.77%0.07421%0.21CC..EExtended strand (participates in β ladder)trans-104.2149.8173.4-74.80000111.5Q67 T86 P413C62-Q67 WeakPolarHBondContact CA-O 3.09Å; C62-T86 PolarHBondContact O-OG1 3.5Å; C62-P413 HydrophobicContact CB-CG 4.44Å
63D85.8Confident89.5Confident21 Ų2145 Ų4511%0.11222%0.22CC..  trans-83.4178.9155.869.118.2000111.8S65 H66 Q67 Y69 E82D63-S65 PolarHBondContact O-N 2.73Å; D63-S65 VanDerWaalsContact O-N 3.12Å; D63-S65 VanDerWaalsContact OD1-C 3.28Å; D63-S65 VanDerWaalsContact OD1-CA 3.28Å; D63-S65 WeakPolarHBondContact OD1-CA 3.42Å; D63-S65 WeakPolarHBondContact OD1-CB 3.4Å; D63-S65 PolarHBondContact OD1-N 3.22Å; D63-H66 PolarHBondContact O-N 3.37Å; D63-H66 PolarHBondContact OD1-N 3.01Å; D63-Q67 PolarHBondContact N-O 3.01Å; D63-Q67 VanDerWaalsContact N-O 3.08Å; D63-Q67 PolarHBondContact OD1-N 2.83Å; D63-Y69 HydrophobicContact CB-CE2 3.8Å; D63-Y69 VanDerWaalsContact OD2-CE2 3.31Å; D63-Y69 WeakPolarHBondContact OD2-CE2 3.45Å; D63-Y69 PolarHBondContact OD2-OH 3.24Å; D63-E82 HydrophobicContact CB-CB 3.77Å; D63-E82 HydrophobicContact CB-CG 4.29Å
64R83.3Confident89.5Confident196 Ų19647.9 Ų47.974%0.7425%0.245SC*.THydrogen-bonded Turntrans-65.1-7.5177.1-62.8-176.3178.5-163.8-1.1114.6N85R64-N85 VanDerWaalsContact CZ-O 3.22Å; R64-N85 PolarHBondContact NE-O 3.1Å; R64-N85 PolarHBondContact NH2-O 2.98Å
65S81.9Confident89.6Confident101 Ų10149.1 Ų49.171%0.70625%0.248SC*.THydrogen-bonded Turntrans-107.114.8175.7-57.50000111.7D63 Q67D63-S65 PolarHBondContact O-N 2.73Å; D63-S65 VanDerWaalsContact O-N 3.12Å; D63-S65 VanDerWaalsContact OD1-C 3.28Å; D63-S65 VanDerWaalsContact OD1-CA 3.28Å; D63-S65 WeakPolarHBondContact OD1-CA 3.42Å; D63-S65 WeakPolarHBondContact OD1-CB 3.4Å; D63-S65 PolarHBondContact OD1-N 3.22Å; S65-Q67 PolarHBondContact O-N 2.67Å; S65-Q67 VanDerWaalsContact O-N 3.09Å
66H80.3Confident89.9Confident89 Ų8949.7 Ų49.741%0.41225%0.253SS..  trans59.511.1-176.2-52.2-54.9000115.4D63 T68 P413D63-H66 PolarHBondContact O-N 3.37Å; D63-H66 PolarHBondContact OD1-N 3.01Å; H66-T68 PolarHBondContact O-N 3.17Å; H66-P413 WeakPolarHBondContact ND1-CB 3.5Å
67Q82.1Confident89.8Confident65 Ų6548.3 Ų48.330%0.30425%0.247SC..  trans-68.7128.5172.6177.164.378.500108.6C62 D63 S65 Y69C62-Q67 WeakPolarHBondContact CA-O 3.09Å; D63-Q67 PolarHBondContact N-O 3.01Å; D63-Q67 VanDerWaalsContact N-O 3.08Å; D63-Q67 PolarHBondContact OD1-N 2.83Å; S65-Q67 PolarHBondContact O-N 2.67Å; S65-Q67 VanDerWaalsContact O-N 3.09Å; Q67-Y69 HydrophobicContact CB-CE2 4.02Å; Q67-Y69 HydrophobicContact CG-CE1 4.25Å; Q67-Y69 HydrophobicContact CG-CE2 3.83Å; Q67-Y69 WeakPolarHBondContact CG-OH 3.41Å; Q67-Y69 VanDerWaalsContact O-CD2 3.26Å; Q67-Y69 WeakPolarHBondContact O-CD2 3.32Å; Q67-Y69 WeakPolarHBondContact O-CE2 3.42Å
68T85Confident89.7Confident54 Ų5450.1 Ų50.133%0.33127%0.265SS..EExtended strand (participates in β ladder)trans-84.4144.4-178.752.90000111.9Y61 H66 W414Y61-T68 WeakPolarHBondContact O-CA 3.47Å; H66-T68 PolarHBondContact O-N 3.17Å; T68-W414 HydrophobicContact CG2-CD2 4.23Å; T68-W414 HydrophobicContact CG2-CE3 3.33Å; T68-W414 HydrophobicContact CG2-CZ3 3.58Å
69Y88.4Confident89.5Confident74 Ų7455.2 Ų55.229%0.2929%0.287SS..EExtended strand (participates in β ladder)trans-139.1147.6176-56.8-89.8000110.4R60 Y61 D63 Q67R60-Y69 CarbonylContact C-O 3.5Å; R60-Y69 VanDerWaalsContact CA-O 3.23Å; R60-Y69 WeakPolarHBondContact CA-O 3.42Å; Y61-Y69 HydrophobicContact CD2-CD2 4.27Å; Y61-Y69 AromaticContact CE2-CD2 3.75Å; Y61-Y69 HydrophobicContact CE2-CD2 3.75Å; Y61-Y69 AromaticContact CE2-CG 3.97Å; Y61-Y69 HydrophobicContact CE2-CG 3.97Å; Y61-Y69 VanDerWaalsContact CZ-CB 3.48Å; Y61-Y69 PolarHBondContact N-O 3.48Å; Y61-Y69 PolarHBondContact O-N 2.91Å; D63-Y69 HydrophobicContact CB-CE2 3.8Å; D63-Y69 VanDerWaalsContact OD2-CE2 3.31Å; D63-Y69 WeakPolarHBondContact OD2-CE2 3.45Å; D63-Y69 PolarHBondContact OD2-OH 3.24Å; Q67-Y69 HydrophobicContact CB-CE2 4.02Å; Q67-Y69 HydrophobicContact CG-CE1 4.25Å; Q67-Y69 HydrophobicContact CG-CE2 3.83Å; Q67-Y69 WeakPolarHBondContact CG-OH 3.41Å; Q67-Y69 VanDerWaalsContact O-CD2 3.26Å; Q67-Y69 WeakPolarHBondContact O-CD2 3.32Å; Q67-Y69 WeakPolarHBondContact O-CE2 3.42Å
70W91.8Very high89.3Confident63 Ų6355.5 Ų55.524%0.23929%0.288CS..EExtended strand (participates in β ladder)trans-83.9138168.9-70.8103.1000111R60 I96 K97R60-W70 HydrophobicContact CG-CD2 3.99Å; R60-W70 HydrophobicContact CG-CE3 3.65Å; R60-W70 HydrophobicContact CG-CH2 3.59Å; R60-W70 HydrophobicContact CG-CZ2 3.92Å; R60-W70 HydrophobicContact CG-CZ3 3.43Å; R60-W70 VanDerWaalsContact CG-CZ3 3.43Å; R60-W70 VanDerWaalsContact NE-CZ2 3.28Å; W70-I96 VanDerWaalsContact CH2-O 3.25Å; W70-I96 WeakPolarHBondContact CH2-O 3.45Å; W70-K97 HydrophobicContact CD2-CB 4.5Å; W70-K97 HydrophobicContact CD2-CD 3.94Å; W70-K97 HydrophobicContact CD2-CG 4.02Å; W70-K97 HydrophobicContact CE3-CB 4.28Å; W70-K97 HydrophobicContact CE3-CD 4.03Å; W70-K97 HydrophobicContact CE3-CG 4.22Å; W70-K97 HydrophobicContact CG-CD 4.32Å; W70-K97 VanDerWaalsContact CH2-CA 3.49Å; W70-K97 HydrophobicContact CH2-CB 3.55Å; W70-K97 HydrophobicContact CH2-CG 4.05Å; W70-K97 HydrophobicContact CZ2-CB 3.81Å; W70-K97 HydrophobicContact CZ2-CG 3.85Å; W70-K97 HydrophobicContact CZ3-CB 3.82Å; W70-K97 HydrophobicContact CZ3-CD 4.41Å; W70-K97 HydrophobicContact CZ3-CG 4.24Å
71L93.4Very high89.1Confident8 Ų860.9 Ų60.94%0.04231%0.313CS..  trans-61.5139.6166.6-164.169.3000109.5L59 Y61 L77 L92L59-L71 HydrophobicContact CB-CB 4.07Å; L59-L71 HydrophobicContact CB-CD2 4.04Å; L59-L71 HydrophobicContact CD1-CD2 3.93Å; L59-L71 WeakPolarHBondContact O-CB 3.49Å; L59-L71 PolarHBondContact O-N 3.05Å; Y61-L71 HydrophobicContact CD1-CD1 4.47Å; Y61-L71 HydrophobicContact CE1-CD1 4.41Å; L71-L77 HydrophobicContact CD1-CD2 3.9Å; L71-L77 HydrophobicContact CD2-CD2 4.44Å; L71-L92 HydrophobicContact CD2-CD1 4.42Å
72D91.1Very high88.8Confident42 Ų4263.6 Ų63.623%0.22533%0.326CS..  trans-102.7109.9-178.3-171.9-30.8000108.5A74 K75 H80D72-A74 PolarHBondContact O-N 3.45Å; D72-A74 PolarHBondContact OD1-N 2.89Å; D72-K75 HydrophobicContact CB-CB 4.25Å; D72-K75 HydrophobicContact CB-CD 4.5Å; D72-K75 HydrophobicContact CB-CG 4.01Å; D72-K75 PolarHBondContact O-N 3.18Å; D72-K75 IonicContact OD2-NZ 2.89Å; D72-K75 PolarHBondContact OD2-NZ 3.01Å; D72-H80 WeakPolarHBondContact CB-NE2 3.47Å; D72-H80 PolarHBondContact N-CE1 2.83Å; D72-H80 PolarHBondContact N-NE2 3.4Å; D72-H80 VanDerWaalsContact N-NE2 3.13Å
73P91.3Very high88.8Confident57 Ų5763.2 Ų63.237%0.3732%0.323SS..THydrogen-bonded Turntrans-58.6-26.5-172.2-23.231.9000113.6S39 L42S39-P73 WeakPolarHBondContact CB-O 3.27Å; S39-P73 PolarHBondContact N-O 3.26Å; S39-P73 VanDerWaalsContact N-O 3.1Å; L42-P73 HydrophobicContact CD1-CB 4.08Å; L42-P73 HydrophobicContact CD1-CG 3.72Å
74A90Very high89.1Confident67 Ų6764 Ų6455%0.55433%0.327SS*.THydrogen-bonded Turntrans-79.4-17.3-178.900000113.8D72D72-A74 PolarHBondContact O-N 3.45Å; D72-A74 PolarHBondContact OD1-N 2.89Å
75K93.1Very high89.3Confident67 Ų6758.1 Ų58.129%0.29131%0.31SS..SBendtrans-94.7163-178.3-66.9-152.3-159.4720113.2K37 G38 D72 E79K37-K75 CarbonylContact C-O 3.52Å; K37-K75 VanDerWaalsContact CA-O 3.25Å; K37-K75 WeakPolarHBondContact CA-O 3.48Å; G38-K75 PolarHBondContact N-O 2.82Å; D72-K75 HydrophobicContact CB-CB 4.25Å; D72-K75 HydrophobicContact CB-CD 4.5Å; D72-K75 HydrophobicContact CB-CG 4.01Å; D72-K75 PolarHBondContact O-N 3.18Å; D72-K75 IonicContact OD2-NZ 2.89Å; D72-K75 PolarHBondContact OD2-NZ 3.01Å; K75-E79 HydrophobicContact CB-CB 4.29Å; K75-E79 HydrophobicContact CD-CB 3.72Å
76T94Very high89.5Confident35 Ų3556.4 Ų56.422%0.21530%0.295CS..BIsolated β-bridgetrans-83.3154.5165.461.50000111.6S35 T36 K37 A78 E79S35-T76 VanDerWaalsContact O-CG2 3.31Å; S35-T76 WeakPolarHBondContact O-CG2 3.45Å; T36-T76 CarbonylContact O-C 3.59Å; T36-T76 VanDerWaalsContact O-CA 3.24Å; T36-T76 WeakPolarHBondContact O-CA 3.48Å; K37-T76 HydrophobicContact CG-CG2 4.39Å; T76-A78 PolarHBondContact O-N 3.25Å; T76-E79 PolarHBondContact N-OE2 2.79Å; T76-E79 PolarHBondContact O-N 2.86Å; T76-E79 WeakPolarHBondContact OG1-CG 3.37Å; T76-E79 PolarHBondContact OG1-OE2 3.5Å
77L92.4Very high89.2Confident0 Ų053 Ų530%028%0.284CS..G310 helixtrans-60.3-33.2179-57.8176.4000111.8F11 I32 K34 T36 V41 L71 E79 H80 L83 I84F11-L77 HydrophobicContact CD1-CD1 4.48Å; F11-L77 HydrophobicContact CE1-CD1 3.54Å; F11-L77 HydrophobicContact CE2-CD1 4.18Å; F11-L77 HydrophobicContact CZ-CB 4.33Å; F11-L77 HydrophobicContact CZ-CD1 3.38Å; F11-L77 HydrophobicContact CZ-CG 4.42Å; I32-L77 HydrophobicContact CG2-CD1 3.87Å; K34-L77 PolarHBondContact O-N 3.13Å; T36-L77 PolarHBondContact O-N 2.77Å; V41-L77 HydrophobicContact CG2-CD1 3.83Å; V41-L77 HydrophobicContact CG2-CD2 4.02Å; V41-L77 HydrophobicContact CG2-CG 4.32Å; L71-L77 HydrophobicContact CD1-CD2 3.9Å; L71-L77 HydrophobicContact CD2-CD2 4.44Å; L77-E79 VanDerWaalsContact C-N 3.26Å; L77-E79 PolarHBondContact O-N 3.18Å; L77-H80 WeakPolarHBondContact O-CB 3.37Å; L77-H80 PolarHBondContact O-N 3.39Å; L77-H80 VanDerWaalsContact O-N 3.09Å; L77-L83 HydrophobicContact CD2-CD2 4.49Å; L77-I84 WeakPolarHBondContact O-CG1 3.25Å
78A91.8Very high89.3Confident50 Ų5054 Ų5441%0.41330%0.296SS..G310 helixtrans-59.5-29.9173.600000114.2K34 T76 H80K34-A78 HydrophobicContact CB-CB 4.23Å; K34-A78 WeakPolarHBondContact O-CB 3.32Å; K34-A78 PolarHBondContact O-N 3.01Å; T76-A78 PolarHBondContact O-N 3.25Å; A78-H80 VanDerWaalsContact C-N 3.33Å
79E92.2Very high89.3Confident111 Ų11154.4 Ų54.452%0.51930%0.3SS..G310 helixtrans-80.1-17.4177.9-67.2166.9104.500112.4K75 T76 L77 K81K75-E79 HydrophobicContact CB-CB 4.29Å; K75-E79 HydrophobicContact CD-CB 3.72Å; T76-E79 PolarHBondContact N-OE2 2.79Å; T76-E79 PolarHBondContact O-N 2.86Å; T76-E79 WeakPolarHBondContact OG1-CG 3.37Å; T76-E79 PolarHBondContact OG1-OE2 3.5Å; L77-E79 VanDerWaalsContact C-N 3.26Å; L77-E79 PolarHBondContact O-N 3.18Å; E79-K81 PolarHBondContact O-N 3.25Å
80H91.1Very high89.5Confident8 Ų851.4 Ų51.44%0.03729%0.288CS..  trans-79.866.8169.7-75.9-87000110.3Y61 D72 L77 A78 E82 L83 I84Y61-H80 HydrophobicContact CE1-CB 4.4Å; Y61-H80 AromaticContact CE1-ND1 3.3Å; Y61-H80 VanDerWaalsContact CE1-ND1 3.3Å; Y61-H80 WeakPolarHBondContact CE1-ND1 3.44Å; Y61-H80 AromaticContact CZ-ND1 3.42Å; Y61-H80 PolarHBondContact OH-ND1 3.17Å; D72-H80 WeakPolarHBondContact CB-NE2 3.47Å; D72-H80 PolarHBondContact N-CE1 2.83Å; D72-H80 PolarHBondContact N-NE2 3.4Å; D72-H80 VanDerWaalsContact N-NE2 3.13Å; L77-H80 WeakPolarHBondContact O-CB 3.37Å; L77-H80 PolarHBondContact O-N 3.39Å; L77-H80 VanDerWaalsContact O-N 3.09Å; A78-H80 VanDerWaalsContact C-N 3.33Å; H80-E82 PolarHBondContact O-N 3.33Å; H80-E82 VanDerWaalsContact O-N 3.1Å; H80-L83 HydrophobicContact CB-CB 4.07Å; H80-L83 HydrophobicContact CB-CD2 4.47Å; H80-L83 WeakPolarHBondContact O-CB 3.35Å; H80-L83 PolarHBondContact O-N 2.91Å; H80-I84 PolarHBondContact O-N 3.49Å; H80-I84 VanDerWaalsContact O-N 3.11Å
81K89.6Confident89.5Confident145 Ų14549.7 Ų49.763%0.6328%0.284SS*.Hα-helixtrans-47.1-44.2-175.8-70.2-167.3173.3-1670113.4E79 L83 I84 N85E79-K81 PolarHBondContact O-N 3.25Å; K81-L83 VanDerWaalsContact C-N 3.34Å; K81-L83 PolarHBondContact O-N 3.44Å; K81-I84 CarbonylContact O-C 3.57Å; K81-I84 PolarHBondContact O-N 3.34Å; K81-I84 VanDerWaalsContact O-N 3.14Å; K81-N85 WeakPolarHBondContact O-CB 3.5Å; K81-N85 PolarHBondContact O-N 2.73Å; K81-N85 PolarHBondContact O-ND2 3.44Å; K81-N85 PolarHBondContact O-OD1 2.88Å
82E88.4Confident89.6Confident72 Ų7249.3 Ų49.334%0.33628%0.283SS..Hα-helixtrans-68.4-29.9-178.2-46.9-40135.800114.1Y61 D63 H80 N85 T86Y61-E82 HydrophobicContact CE2-CB 4.16Å; D63-E82 HydrophobicContact CB-CB 3.77Å; D63-E82 HydrophobicContact CB-CG 4.29Å; H80-E82 PolarHBondContact O-N 3.33Å; H80-E82 VanDerWaalsContact O-N 3.1Å; E82-N85 PolarHBondContact OE2-ND2 3.01Å; E82-T86 PolarHBondContact O-N 3.27Å; E82-T86 PolarHBondContact O-OG1 3.3Å; E82-T86 VanDerWaalsContact O-OG1 3.14Å
83L88.9Confident89.8Confident2 Ų248.3 Ų48.31%0.0128%0.276CS..Hα-helixtrans-66.6-47169175.366.3000110.4Y61 L77 H80 K81 N85 T86 Y90 L92Y61-L83 HydrophobicContact CD1-CB 4.48Å; Y61-L83 HydrophobicContact CD2-CB 3.9Å; Y61-L83 HydrophobicContact CE2-CB 4.11Å; Y61-L83 HydrophobicContact CG-CB 4.12Å; Y61-L83 HydrophobicContact CG-CD1 4.22Å; L77-L83 HydrophobicContact CD2-CD2 4.49Å; H80-L83 HydrophobicContact CB-CB 4.07Å; H80-L83 HydrophobicContact CB-CD2 4.47Å; H80-L83 WeakPolarHBondContact O-CB 3.35Å; H80-L83 PolarHBondContact O-N 2.91Å; K81-L83 VanDerWaalsContact C-N 3.34Å; K81-L83 PolarHBondContact O-N 3.44Å; L83-N85 VanDerWaalsContact C-N 3.28Å; L83-N85 PolarHBondContact O-N 3.27Å; L83-T86 PolarHBondContact O-N 2.92Å; L83-Y90 HydrophobicContact CG-CD1 4.39Å; L83-Y90 WeakPolarHBondContact O-CD1 3.44Å; L83-L92 HydrophobicContact CD1-CD2 3.73Å; L83-L92 HydrophobicContact CD2-CD2 3.81Å; L83-L92 HydrophobicContact CG-CD2 4.43Å
84I90.4Very high90.1Very high38 Ų3845.9 Ų45.920%0.19526%0.259CS..Hα-helixtrans-64.1-34.7179.4-58.3-60.4000111.5F11 K34 L77 H80 K81 T86 G87 Y90F11-I84 HydrophobicContact CE2-CD1 4.43Å; K34-I84 HydrophobicContact CG-CD1 4.32Å; L77-I84 WeakPolarHBondContact O-CG1 3.25Å; H80-I84 PolarHBondContact O-N 3.49Å; H80-I84 VanDerWaalsContact O-N 3.11Å; K81-I84 CarbonylContact O-C 3.57Å; K81-I84 PolarHBondContact O-N 3.34Å; K81-I84 VanDerWaalsContact O-N 3.14Å; I84-T86 VanDerWaalsContact C-N 3.31Å; I84-T86 PolarHBondContact O-N 3.48Å; I84-G87 PolarHBondContact O-N 3.12Å; I84-Y90 HydrophobicContact CD1-CE1 4.14Å
85N87.8Confident90.4Very high73 Ų7342.7 Ų42.739%0.3923%0.233SC..Hα-helixtrans-67.5-27.5176.7-70.6-20.6000112.6R64 K81 E82 L83 G87R64-N85 VanDerWaalsContact CZ-O 3.22Å; R64-N85 PolarHBondContact NE-O 3.1Å; R64-N85 PolarHBondContact NH2-O 2.98Å; K81-N85 WeakPolarHBondContact O-CB 3.5Å; K81-N85 PolarHBondContact O-N 2.73Å; K81-N85 PolarHBondContact O-ND2 3.44Å; K81-N85 PolarHBondContact O-OD1 2.88Å; E82-N85 PolarHBondContact OE2-ND2 3.01Å; L83-N85 VanDerWaalsContact C-N 3.28Å; L83-N85 PolarHBondContact O-N 3.27Å; N85-G87 PolarHBondContact O-N 3.01Å
86T85.9Confident90.5Very high65 Ų6539.5 Ų39.540%0.39922%0.219SC..Hα-helixtrans-70.7-23.4174.1-610000111.8C62 E82 L83 I84C62-T86 PolarHBondContact O-OG1 3.5Å; E82-T86 PolarHBondContact O-N 3.27Å; E82-T86 PolarHBondContact O-OG1 3.3Å; E82-T86 VanDerWaalsContact O-OG1 3.14Å; L83-T86 PolarHBondContact O-N 2.92Å; I84-T86 VanDerWaalsContact C-N 3.31Å; I84-T86 PolarHBondContact O-N 3.48Å
87G75.6Confident90.4Very high16 Ų1639.7 Ų39.717%0.16522%0.217CC..  trans82.3174.117600000113.7I84 N85 P89 Y90I84-G87 PolarHBondContact O-N 3.12Å; N85-G87 PolarHBondContact O-N 3.01Å; G87-P89 CarbonylContact O-C 3.58Å; G87-P89 VanDerWaalsContact O-O 3.06Å; G87-Y90 VanDerWaalsContact C-CD1 3.49Å; G87-Y90 WeakPolarHBondContact O-CD1 3.49Å; G87-Y90 WeakPolarHBondContact O-CE1 3.44Å; G87-Y90 PolarHBondContact O-N 2.88Å
88P83.2Confident90.4Very high88 Ų8839.9 Ų39.957%0.57122%0.218SC*.SBendtrans-69.4134.8167.130.2-32.5000109.6Y90P88-Y90 HydrophobicContact CB-CE2 4.39Å
89P85.5Confident90.6Very high62 Ų6238 Ų3840%0.40320%0.2SC..SBendcis-72.1128.2-0.630.7-35.9000113.1Y12 E14 G87 T91Y12-P89 HydrophobicContact CD1-CB 3.78Å; Y12-P89 HydrophobicContact CE1-CB 3.77Å; E14-P89 HydrophobicContact CG-CB 4.17Å; G87-P89 CarbonylContact O-C 3.58Å; G87-P89 VanDerWaalsContact O-O 3.06Å; P89-T91 VanDerWaalsContact C-N 3.32Å; P89-T91 PolarHBondContact O-N 2.88Å; P89-T91 PolarHBondContact O-OG1 2.87Å
90Y91.4Very high90.6Very high11 Ų1132.9 Ų32.94%0.04318%0.177CC..EExtended strand (participates in β ladder)trans-75.984.4176.6-64.6-59.6000109.7F11 Y12 C13 E14 K34 L83 I84 G87 P88 L92F11-Y90 AromaticContact CD2-CD2 3.58Å; F11-Y90 HydrophobicContact CD2-CD2 3.58Å; F11-Y90 AromaticContact CD2-CE2 3.49Å; F11-Y90 HydrophobicContact CD2-CE2 3.49Å; F11-Y90 VanDerWaalsContact CD2-CE2 3.49Å; F11-Y90 HydrophobicContact CE1-CD2 4.33Å; F11-Y90 AromaticContact CE2-CD2 3.17Å; F11-Y90 HydrophobicContact CE2-CD2 3.17Å; F11-Y90 AromaticContact CE2-CE2 3.38Å; F11-Y90 HydrophobicContact CE2-CE2 3.38Å; F11-Y90 AromaticContact CE2-CG 3.93Å; F11-Y90 HydrophobicContact CE2-CG 3.93Å; F11-Y90 HydrophobicContact CG-CD2 4.31Å; F11-Y90 HydrophobicContact CG-CE2 4.45Å; F11-Y90 AromaticContact CZ-CD2 3.58Å; F11-Y90 HydrophobicContact CZ-CD2 3.58Å; F11-Y90 HydrophobicContact CZ-CE2 4.26Å; F11-Y90 HydrophobicContact CZ-CG 4.06Å; Y12-Y90 WeakPolarHBondContact O-CD2 3.4Å; Y12-Y90 PolarHBondContact O-N 3.02Å; C13-Y90 WeakPolarHBondContact CA-O 3.47Å; C13-Y90 PolarHBondContact SG-O 3.36Å; E14-Y90 PolarHBondContact N-O 3.17Å; K34-Y90 WeakPolarHBondContact CE-OH 3.41Å; L83-Y90 HydrophobicContact CG-CD1 4.39Å; L83-Y90 WeakPolarHBondContact O-CD1 3.44Å; I84-Y90 HydrophobicContact CD1-CE1 4.14Å; G87-Y90 VanDerWaalsContact C-CD1 3.49Å; G87-Y90 WeakPolarHBondContact O-CD1 3.49Å; G87-Y90 WeakPolarHBondContact O-CE1 3.44Å; G87-Y90 PolarHBondContact O-N 2.88Å; P88-Y90 HydrophobicContact CB-CE2 4.39Å; Y90-L92 PolarHBondContact O-N 3.35Å
91T92.8Very high90.5Very high27 Ų2739 Ų3917%0.16621%0.206CC..EExtended strand (participates in β ladder)trans-76.6121.1-173.6-41.60000112.2E14 L16 P89 Y93E14-T91 CarbonylContact O-C 3.58Å; E14-T91 WeakPolarHBondContact O-CA 3.43Å; L16-T91 HydrophobicContact CD1-CG2 3.99Å; P89-T91 VanDerWaalsContact C-N 3.32Å; P89-T91 PolarHBondContact O-N 2.88Å; P89-T91 PolarHBondContact O-OG1 2.87Å; T91-Y93 HydrophobicContact CG2-CE1 3.84Å; T91-Y93 HydrophobicContact CG2-CE2 4.05Å; T91-Y93 VanDerWaalsContact CG2-CZ 3.48Å; T91-Y93 VanDerWaalsContact CG2-OH 3.28Å; T91-Y93 WeakPolarHBondContact CG2-OH 3.41Å
92L95.3Very high90.6Very high0 Ų033.7 Ų33.70%018%0.184CC..EExtended strand (participates in β ladder)trans-110.3157.2169.9-57.4-178000109.4E14 V15 L16 V41 L59 R60 Y61 L71 L83 Y90E14-L92 PolarHBondContact O-N 2.6Å; V15-L92 WeakPolarHBondContact CA-O 3.43Å; V15-L92 HydrophobicContact CG2-CB 4.25Å; V15-L92 HydrophobicContact CG2-CD1 4.46Å; L16-L92 PolarHBondContact N-O 3.29Å; V41-L92 HydrophobicContact CG1-CD1 3.87Å; L59-L92 HydrophobicContact CD1-CD1 3.99Å; L59-L92 HydrophobicContact CD2-CB 4.18Å; R60-L92 CarbonylContact O-C 3.56Å; R60-L92 WeakPolarHBondContact O-CA 3.42Å; Y61-L92 HydrophobicContact CD1-CD2 4.41Å; L71-L92 HydrophobicContact CD2-CD1 4.42Å; L83-L92 HydrophobicContact CD1-CD2 3.73Å; L83-L92 HydrophobicContact CD2-CD2 3.81Å; L83-L92 HydrophobicContact CG-CD2 4.43Å; Y90-L92 PolarHBondContact O-N 3.35Å
93Y95.5Very high90.9Very high21 Ų2130.2 Ų30.28%0.08217%0.168CC..EExtended strand (participates in β ladder)trans-130.7119.1-179.2-50.2-93.5000108.8L16 L59 R60 T91 A412 P413 W414L16-Y93 HydrophobicContact CB-CD1 3.95Å; L16-Y93 HydrophobicContact CB-CE1 4.44Å; L16-Y93 HydrophobicContact CD1-CD1 3.84Å; L16-Y93 HydrophobicContact CD1-CE1 3.47Å; L16-Y93 VanDerWaalsContact CD1-CE1 3.47Å; L59-Y93 CarbonylContact C-O 3.5Å; L59-Y93 WeakPolarHBondContact CA-O 3.42Å; R60-Y93 PolarHBondContact N-O 2.88Å; R60-Y93 PolarHBondContact O-N 3.2Å; T91-Y93 HydrophobicContact CG2-CE1 3.84Å; T91-Y93 HydrophobicContact CG2-CE2 4.05Å; T91-Y93 VanDerWaalsContact CG2-CZ 3.48Å; T91-Y93 VanDerWaalsContact CG2-OH 3.28Å; T91-Y93 WeakPolarHBondContact CG2-OH 3.41Å; Y93-A412 HydrophobicContact CD1-CB 3.57Å; Y93-A412 HydrophobicContact CE1-CB 3.5Å; Y93-A412 VanDerWaalsContact CE1-CB 3.5Å; Y93-A412 HydrophobicContact CG-CB 4.48Å; Y93-P413 WeakPolarHBondContact OH-CD 3.35Å; Y93-W414 AromaticContact CD1-CH2 3.99Å; Y93-W414 HydrophobicContact CD1-CH2 3.99Å; Y93-W414 HydrophobicContact CD1-CZ2 4.21Å; Y93-W414 AromaticContact CD2-CH2 3.46Å; Y93-W414 HydrophobicContact CD2-CH2 3.46Å; Y93-W414 VanDerWaalsContact CD2-CH2 3.46Å; Y93-W414 HydrophobicContact CD2-CZ2 4.43Å; Y93-W414 AromaticContact CD2-CZ3 3.83Å; Y93-W414 HydrophobicContact CD2-CZ3 3.83Å; Y93-W414 HydrophobicContact CE2-CH2 4.2Å; Y93-W414 HydrophobicContact CE2-CZ3 4.17Å; Y93-W414 AromaticContact CG-CH2 3.36Å; Y93-W414 HydrophobicContact CG-CH2 3.36Å; Y93-W414 AromaticContact CG-CZ2 3.91Å; Y93-W414 HydrophobicContact CG-CZ2 3.91Å; Y93-W414 HydrophobicContact CG-CZ3 4.15Å
94F97.3Very high91Very high5 Ų531.8 Ų31.82%0.02218%0.179CC..EExtended strand (participates in β ladder)trans-70.9141.2172.6-175.5-112.7000110V15 L16 L17 L18 V45 F46 L51 F57 L59V15-F94 HydrophobicContact CG1-CB 4.27Å; L16-F94 PolarHBondContact O-N 3.35Å; L17-F94 HydrophobicContact CD2-CB 3.74Å; L17-F94 HydrophobicContact CD2-CD1 4.31Å; L17-F94 HydrophobicContact CD2-CG 4.1Å; L18-F94 HydrophobicContact CD1-CD1 3.97Å; L18-F94 HydrophobicContact CD1-CE1 3.99Å; L18-F94 HydrophobicContact CG-CD1 3.91Å; L18-F94 HydrophobicContact CG-CE1 4.42Å; V45-F94 HydrophobicContact CG1-CB 4.5Å; V45-F94 HydrophobicContact CG1-CD2 3.57Å; V45-F94 HydrophobicContact CG1-CE2 3.97Å; V45-F94 HydrophobicContact CG1-CG 4.1Å; F46-F94 HydrophobicContact CD1-CE2 4.18Å; F46-F94 AromaticContact CE1-CE2 3.96Å; F46-F94 HydrophobicContact CE1-CE2 3.96Å; L51-F94 HydrophobicContact CD1-CE1 4.2Å; L51-F94 HydrophobicContact CD1-CE2 4.49Å; L51-F94 HydrophobicContact CD1-CZ 3.55Å; F57-F94 HydrophobicContact CB-CE2 3.74Å; F57-F94 HydrophobicContact CB-CZ 3.8Å; F57-F94 AromaticContact CD1-CE1 3.9Å; F57-F94 HydrophobicContact CD1-CE1 3.9Å; F57-F94 HydrophobicContact CD1-CE2 4.21Å; F57-F94 AromaticContact CD1-CZ 3.44Å; F57-F94 HydrophobicContact CD1-CZ 3.44Å; F57-F94 VanDerWaalsContact CD1-CZ 3.44Å; F57-F94 HydrophobicContact CE1-CE1 4.3Å; F57-F94 HydrophobicContact CE1-CZ 4.14Å; F57-F94 HydrophobicContact CG-CE2 4.15Å; F57-F94 AromaticContact CG-CZ 3.67Å; F57-F94 HydrophobicContact CG-CZ 3.67Å; L59-F94 HydrophobicContact CD2-CB 4.21Å; L59-F94 HydrophobicContact CD2-CD2 4.42Å
95G95.8Very high90.9Very high0 Ų037.7 Ų37.70%020%0.203CC..EExtended strand (participates in β ladder)trans-179.2171.7178.200000113.9G58G58-G95 PolarHBondContact N-O 3.41Å; G58-G95 PolarHBondContact O-N 2.72Å; G58-G95 VanDerWaalsContact O-N 3.09Å
96I95.6Very high91.1Very high1 Ų134.5 Ų34.51%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-77.9130.3-177.4-58.2-176.8000109.5F57 R60 W70 F98 Y99 F115 Q118F57-I96 HydrophobicContact CD1-CG1 3.92Å; F57-I96 HydrophobicContact CE1-CD1 4.24Å; F57-I96 HydrophobicContact CE1-CG1 3.76Å; R60-I96 PolarHBondContact NH2-O 2.91Å; W70-I96 VanDerWaalsContact CH2-O 3.25Å; W70-I96 WeakPolarHBondContact CH2-O 3.45Å; I96-F98 VanDerWaalsContact CG2-O 3.28Å; I96-F98 WeakPolarHBondContact CG2-O 3.41Å; I96-Y99 HydrophobicContact CB-CE2 4.19Å; I96-Y99 HydrophobicContact CG2-CD1 4.36Å; I96-Y99 HydrophobicContact CG2-CD2 3.82Å; I96-Y99 HydrophobicContact CG2-CE1 4.48Å; I96-Y99 HydrophobicContact CG2-CE2 3.89Å; I96-Y99 HydrophobicContact CG2-CG 4.01Å; I96-F115 HydrophobicContact CD1-CB 4.22Å; I96-F115 HydrophobicContact CD1-CD1 3.62Å; I96-F115 HydrophobicContact CD1-CD2 3.59Å; I96-F115 HydrophobicContact CD1-CE1 3.77Å; I96-F115 HydrophobicContact CD1-CE2 3.76Å; I96-F115 HydrophobicContact CD1-CG 3.54Å; I96-F115 HydrophobicContact CD1-CZ 3.85Å; I96-F115 HydrophobicContact CG2-CE1 4.27Å; I96-F115 HydrophobicContact CG2-CZ 3.96Å; I96-Q118 HydrophobicContact CB-CG 4Å; I96-Q118 HydrophobicContact CD1-CB 3.58Å; I96-Q118 HydrophobicContact CD1-CG 3.85Å; I96-Q118 HydrophobicContact CG1-CB 3.86Å; I96-Q118 HydrophobicContact CG1-CG 3.84Å; I96-Q118 VanDerWaalsContact N-OE1 3.11Å
97K92.5Very high91.2Very high38 Ų3834.9 Ų34.917%0.16518%0.182CC..SBendtrans-101.1-38.2177.7-174.3172.2178.8-176.60111.9Y56 W70 E290Y56-K97 PolarHBondContact O-N 3.25Å; W70-K97 HydrophobicContact CD2-CB 4.5Å; W70-K97 HydrophobicContact CD2-CD 3.94Å; W70-K97 HydrophobicContact CD2-CG 4.02Å; W70-K97 HydrophobicContact CE3-CB 4.28Å; W70-K97 HydrophobicContact CE3-CD 4.03Å; W70-K97 HydrophobicContact CE3-CG 4.22Å; W70-K97 HydrophobicContact CG-CD 4.32Å; W70-K97 VanDerWaalsContact CH2-CA 3.49Å; W70-K97 HydrophobicContact CH2-CB 3.55Å; W70-K97 HydrophobicContact CH2-CG 4.05Å; W70-K97 HydrophobicContact CZ2-CB 3.81Å; W70-K97 HydrophobicContact CZ2-CG 3.85Å; W70-K97 HydrophobicContact CZ3-CB 3.82Å; W70-K97 HydrophobicContact CZ3-CD 4.41Å; W70-K97 HydrophobicContact CZ3-CG 4.24Å; K97-E290 WeakPolarHBondContact CE-OE2 3.45Å; K97-E290 IonicContact NZ-OE2 3.68Å; K97-E290 PolarHBondContact NZ-OE2 2.84Å
98F92.8Very high91.9Very high4 Ų434.1 Ų34.12%0.01817%0.174CC..SBendtrans-126.8116.9174.5-54.1-71.4000108.1D55 Y56 I96 E290 H291 F294 F295 Y321D55-F98 WeakPolarHBondContact O-CD2 3.44Å; Y56-F98 HydrophobicContact CD1-CB 4.45Å; Y56-F98 VanDerWaalsContact CD1-O 3.3Å; Y56-F98 WeakPolarHBondContact CD1-O 3.36Å; Y56-F98 PolarHBondContact O-N 2.81Å; I96-F98 VanDerWaalsContact CG2-O 3.28Å; I96-F98 WeakPolarHBondContact CG2-O 3.41Å; F98-E290 HydrophobicContact CE1-CB 4.16Å; F98-E290 HydrophobicContact CZ-CB 4.1Å; F98-H291 AromaticContact CD1-NE2 3.93Å; F98-H291 AromaticContact CE1-ND1 3.84Å; F98-F294 HydrophobicContact CB-CD1 3.7Å; F98-F294 HydrophobicContact CB-CE1 3.48Å; F98-F294 VanDerWaalsContact CB-CE1 3.48Å; F98-F294 HydrophobicContact CB-CZ 4.21Å; F98-F294 HydrophobicContact CD1-CB 4.47Å; F98-F294 HydrophobicContact CD1-CD1 4.08Å; F98-F294 HydrophobicContact CD1-CG 4.4Å; F98-F294 HydrophobicContact CD2-CD1 4.13Å; F98-F294 HydrophobicContact CD2-CD2 4.38Å; F98-F294 HydrophobicContact CD2-CE1 4.24Å; F98-F294 HydrophobicContact CD2-CE2 4.48Å; F98-F294 HydrophobicContact CD2-CG 4.2Å; F98-F294 HydrophobicContact CD2-CZ 4.4Å; F98-F294 HydrophobicContact CE1-CB 4.44Å; F98-F294 AromaticContact CG-CD1 3.7Å; F98-F294 HydrophobicContact CG-CD1 3.7Å; F98-F294 AromaticContact CG-CE1 3.92Å; F98-F294 HydrophobicContact CG-CE1 3.92Å; F98-F294 HydrophobicContact CG-CG 4.13Å; F98-F295 HydrophobicContact CB-CE2 4.32Å; F98-F295 HydrophobicContact CB-CZ 3.93Å; F98-F295 HydrophobicContact CD1-CE2 4.25Å; F98-Y321 HydrophobicContact CE2-CE2 4.08Å; F98-Y321 AromaticContact CZ-CE2 3.87Å; F98-Y321 HydrophobicContact CZ-CE2 3.87Å
99Y94.4Very high92.3Very high10 Ų1031.9 Ų31.94%0.03916%0.156CC..  trans-75.8142.6176-68.6-113.1000108.5I96 F115 Q118 V119 D122 R127 Y206 P227 F295I96-Y99 HydrophobicContact CB-CE2 4.19Å; I96-Y99 HydrophobicContact CG2-CD1 4.36Å; I96-Y99 HydrophobicContact CG2-CD2 3.82Å; I96-Y99 HydrophobicContact CG2-CE1 4.48Å; I96-Y99 HydrophobicContact CG2-CE2 3.89Å; I96-Y99 HydrophobicContact CG2-CG 4.01Å; Y99-F115 HydrophobicContact CD1-CE1 4.43Å; Y99-Q118 HydrophobicContact CE1-CG 4.25Å; Y99-Q118 WeakPolarHBondContact OH-CG 3.47Å; Y99-V119 HydrophobicContact CE1-CG2 4.41Å; Y99-D122 PolarHBondContact OH-OD2 3.47Å; Y99-R127 PolarHBondContact OH-NH1 3.16Å; Y99-Y206 HydrophobicContact CD1-CE2 4.29Å; Y99-P227 WeakPolarHBondContact O-CB 3.43Å; Y99-P227 WeakPolarHBondContact O-CG 3.46Å; Y99-F295 WeakPolarHBondContact O-CE1 3.36Å; Y99-F295 VanDerWaalsContact O-CZ 3.23Å; Y99-F295 WeakPolarHBondContact O-CZ 3.4Å
100A92Very high92.7Very high5 Ų529.8 Ų29.84%0.04114%0.141CC..  trans-67.9143168.900000109.8Y56 D102 L106 F115 Y206Y56-A100 HydrophobicContact CE1-CB 4.32Å; A100-D102 PolarHBondContact O-N 3.33Å; A100-L106 HydrophobicContact CB-CD1 4.47Å; A100-L106 HydrophobicContact CB-CD2 4.08Å; A100-L106 HydrophobicContact CB-CG 4.31Å; A100-F115 HydrophobicContact CB-CE1 4.14Å; A100-F115 HydrophobicContact CB-CZ 4.13Å; A100-Y206 WeakPolarHBondContact O-CE1 3.44Å
101E90.3Very high92.8Very high137 Ų13729.3 Ų29.364%0.6414%0.139SC*.SBendtrans-59.7-34.3169.6176.5178.6-160.700111.2P227 V228E101-P227 HydrophobicContact CB-CB 4.09Å; E101-V228 HydrophobicContact CB-CG2 4.39Å; E101-V228 HydrophobicContact CG-CG2 3.73Å; E101-V228 WeakPolarHBondContact OE1-CG2 3.47Å
102D91.4Very high92.9Very high32 Ų3230.6 Ų30.617%0.17114%0.141CC..  trans-135.898.8172-166.1-20.4000110.2A100 C104 K105 K201A100-D102 PolarHBondContact O-N 3.33Å; D102-C104 PolarHBondContact O-N 2.94Å; D102-C104 VanDerWaalsContact O-N 3.17Å; D102-C104 WeakPolarHBondContact OD1-CB 3.3Å; D102-C104 PolarHBondContact OD1-N 3.07Å; D102-K105 HydrophobicContact CB-CB 4.47Å; D102-K105 HydrophobicContact CB-CD 3.84Å; D102-K105 HydrophobicContact CB-CG 3.99Å; D102-K105 PolarHBondContact O-N 2.98Å; D102-K105 VanDerWaalsContact OD2-CE 3.23Å; D102-K105 WeakPolarHBondContact OD2-CE 3.17Å; D102-K105 IonicContact OD2-NZ 3.37Å; D102-K201 IonicContact OD1-NZ 2.64Å; D102-K201 PolarHBondContact OD1-NZ 3.13Å; D102-K201 IonicContact OD2-NZ 3.98Å; D102-K201 PolarHBondContact OD2-NZ 3.3Å
103P93.5Very high93Very high0 Ų030.8 Ų30.80%014%0.142CC..G310 helixtrans-63-18.417827.5-37.5000113.2K105 L106 F115 L197 K201 Y206P103-K105 PolarHBondContact O-N 3.07Å; P103-L106 HydrophobicContact CB-CD1 4.06Å; P103-L106 WeakPolarHBondContact O-CD1 3.49Å; P103-L106 WeakPolarHBondContact O-CG 3.18Å; P103-L106 PolarHBondContact O-N 2.98Å; P103-F115 HydrophobicContact CB-CD1 3.91Å; P103-F115 HydrophobicContact CB-CE1 4.5Å; P103-F115 HydrophobicContact CB-CG 4.39Å; P103-L197 HydrophobicContact CB-CB 4.43Å; P103-L197 HydrophobicContact CB-CD1 4.34Å; P103-L197 HydrophobicContact CB-CD2 4.11Å; P103-L197 HydrophobicContact CG-CB 4.05Å; P103-L197 HydrophobicContact CG-CD2 4.1Å; P103-K201 HydrophobicContact CG-CB 4.37Å; P103-K201 HydrophobicContact CG-CD 4.5Å; P103-Y206 WeakPolarHBondContact CG-OH 3.39Å
104C91.5Very high93Very high35 Ų3530.2 Ų30.224%0.23614%0.14CC..G310 helixtrans-70.2-11174-51.70000113D102 L194D102-C104 PolarHBondContact O-N 2.94Å; D102-C104 VanDerWaalsContact O-N 3.17Å; D102-C104 WeakPolarHBondContact OD1-CB 3.3Å; D102-C104 PolarHBondContact OD1-N 3.07Å; C104-L194 HydrophobicContact CB-CD1 3.86Å
105K89.8Confident93Very high162 Ų16230 Ų3070%0.70414%0.139SC*.G310 helixtrans-100.60.7179.2-60.9179.2-171.4156.60113.9D102 P103D102-K105 HydrophobicContact CB-CB 4.47Å; D102-K105 HydrophobicContact CB-CD 3.84Å; D102-K105 HydrophobicContact CB-CG 3.99Å; D102-K105 PolarHBondContact O-N 2.98Å; D102-K105 VanDerWaalsContact OD2-CE 3.23Å; D102-K105 WeakPolarHBondContact OD2-CE 3.17Å; D102-K105 IonicContact OD2-NZ 3.37Å; P103-K105 PolarHBondContact O-N 3.07Å
106L90.6Very high93.1Very high5 Ų530 Ų303%0.02614%0.139CC..  trans-64.9139.1170.8-63.7166.6000109.4Y56 A100 P103 T111 R112 F115Y56-L106 HydrophobicContact CD2-CD2 3.83Å; Y56-L106 HydrophobicContact CE2-CD2 3.25Å; A100-L106 HydrophobicContact CB-CD1 4.47Å; A100-L106 HydrophobicContact CB-CD2 4.08Å; A100-L106 HydrophobicContact CB-CG 4.31Å; P103-L106 HydrophobicContact CB-CD1 4.06Å; P103-L106 WeakPolarHBondContact O-CD1 3.49Å; P103-L106 WeakPolarHBondContact O-CG 3.18Å; P103-L106 PolarHBondContact O-N 2.98Å; L106-T111 HydrophobicContact CB-CG2 4.25Å; L106-T111 HydrophobicContact CD1-CG2 4.07Å; L106-T111 HydrophobicContact CD2-CG2 4.08Å; L106-T111 HydrophobicContact CG-CG2 4.36Å; L106-R112 HydrophobicContact CB-CG 3.86Å; L106-R112 HydrophobicContact CD1-CG 4.46Å; L106-R112 PolarHBondContact O-NH1 3.13Å; L106-F115 HydrophobicContact CD1-CB 4.23Å; L106-F115 HydrophobicContact CD1-CD1 4.15Å; L106-F115 HydrophobicContact CD1-CD2 3.36Å; L106-F115 HydrophobicContact CD1-CE1 4.38Å; L106-F115 HydrophobicContact CD1-CE2 3.63Å; L106-F115 HydrophobicContact CD1-CG 3.64Å; L106-F115 HydrophobicContact CD1-CZ 4.14Å; L106-F115 HydrophobicContact CD2-CE2 4.4Å
107K89.1Confident93.2Very high73 Ų7330.1 Ų30.132%0.31714%0.139SC..SBendtrans-78.5-46.7-166.9-60-174.6-174.2175.80112.4E53 R112 S330 L337E53-K107 PolarHBondContact OE1-N 3.16Å; E53-K107 PolarHBondContact OE2-N 3.37Å; K107-R112 VanDerWaalsContact C-NH1 3.34Å; K107-R112 PolarHBondContact O-NH1 3.46Å; K107-S330 PolarHBondContact NZ-O 3.06Å; K107-L337 HydrophobicContact CB-CB 3.92Å; K107-L337 HydrophobicContact CB-CD1 4.49Å; K107-L337 HydrophobicContact CD-CB 3.5Å; K107-L337 HydrophobicContact CD-CD1 3.94Å; K107-L337 HydrophobicContact CD-CG 4.38Å; K107-L337 HydrophobicContact CG-CB 4.36Å
108E89.9Confident93.4Very high1 Ų128.3 Ų28.31%0.00513%0.132CC..SBendtrans-88148.1-177-47.8-163.7118.700112.6V52 E53 I110 T111 R112 L337 R339V52-E108 WeakPolarHBondContact CB-OE2 3.26Å; V52-E108 PolarHBondContact N-OE2 2.98Å; V52-E108 VanDerWaalsContact N-OE2 3.13Å; E53-E108 HydrophobicContact CG-CG 4.28Å; E53-E108 PolarHBondContact OE2-N 2.82Å; E108-I110 HydrophobicContact CB-CG2 3.83Å; E108-T111 PolarHBondContact O-N 3.37Å; E108-R112 PolarHBondContact O-N 3.02Å; E108-R112 PolarHBondContact O-NH1 3.06Å; E108-L337 HydrophobicContact CG-CD2 3.85Å; E108-L337 VanDerWaalsContact OE1-CD2 3.25Å; E108-L337 WeakPolarHBondContact OE1-CD2 3.25Å; E108-R339 VanDerWaalsContact CD-NH2 3.26Å; E108-R339 IonicContact OE1-CZ 3.42Å; E108-R339 IonicContact OE1-NE 3.35Å; E108-R339 PolarHBondContact OE1-NE 2.58Å; E108-R339 IonicContact OE1-NH2 2.71Å; E108-R339 PolarHBondContact OE1-NH2 3.19Å; E108-R339 IonicContact OE2-CZ 2.83Å; E108-R339 IonicContact OE2-NH2 2.67Å; E108-R339 PolarHBondContact OE2-NH2 3.23Å
109E91.7Very high93.6Very high41 Ų4128.1 Ų28.119%0.19213%0.131CC..Hα-helixtrans-65.8-40.9173.8-170.1179.8123.400111.5T111 R112 Y113 W190 V344 R346E109-T111 PolarHBondContact O-N 2.84Å; E109-R112 CarbonylContact O-C 3.58Å; E109-R112 WeakPolarHBondContact O-CA 3.42Å; E109-R112 WeakPolarHBondContact O-CB 3.3Å; E109-R112 PolarHBondContact O-N 2.86Å; E109-Y113 PolarHBondContact O-N 3.41Å; E109-W190 HydrophobicContact CG-CB 4.34Å; E109-V344 HydrophobicContact CB-CG2 3.82Å; E109-V344 HydrophobicContact CG-CG2 3.76Å; E109-R346 IonicContact OE1-CZ 3.95Å; E109-R346 IonicContact OE1-NH1 2.94Å; E109-R346 PolarHBondContact OE1-NH1 2.69Å; E109-R346 IonicContact OE1-NH2 3.42Å; E109-R346 PolarHBondContact OE1-NH2 3.36Å
110I92.8Very high93.6Very high18 Ų1828.6 Ų28.69%0.09213%0.133CC..Hα-helixtrans-57.4-38.3177.5-177.359.9000111.6V49 L51 E108 Y113 Q114 V344V49-I110 HydrophobicContact CG1-CD1 4.32Å; V49-I110 WeakPolarHBondContact O-CG1 3.26Å; L51-I110 HydrophobicContact CD2-CG1 3.98Å; L51-I110 HydrophobicContact CD2-CG2 4.21Å; L51-I110 HydrophobicContact CG-CG1 4.45Å; E108-I110 HydrophobicContact CB-CG2 3.83Å; I110-Y113 PolarHBondContact O-N 3.24Å; I110-Q114 HydrophobicContact CD1-CG 4.36Å; I110-Q114 VanDerWaalsContact O-CG 3.29Å; I110-Q114 WeakPolarHBondContact O-CG 3.42Å; I110-Q114 PolarHBondContact O-N 3.34Å; I110-V344 HydrophobicContact CB-CG2 4.03Å; I110-V344 HydrophobicContact CD1-CG1 4.11Å
111T94.6Very high93.8Very high0 Ų029.5 Ų29.50%014%0.137CC..Hα-helixtrans-65.8-44.5175.5-46.30000111.4E53 F57 L106 E108 E109 Q114 F115E53-T111 HydrophobicContact CB-CG2 3.57Å; E53-T111 WeakPolarHBondContact CB-OG1 3.45Å; E53-T111 HydrophobicContact CG-CG2 4.27Å; E53-T111 WeakPolarHBondContact OE2-CB 3.48Å; E53-T111 PolarHBondContact OE2-OG1 2.87Å; E53-T111 VanDerWaalsContact OE2-OG1 3.13Å; F57-T111 HydrophobicContact CE2-CG2 3.99Å; F57-T111 HydrophobicContact CZ-CG2 4.1Å; L106-T111 HydrophobicContact CB-CG2 4.25Å; L106-T111 HydrophobicContact CD1-CG2 4.07Å; L106-T111 HydrophobicContact CD2-CG2 4.08Å; L106-T111 HydrophobicContact CG-CG2 4.36Å; E108-T111 PolarHBondContact O-N 3.37Å; E109-T111 PolarHBondContact O-N 2.84Å; T111-Q114 PolarHBondContact O-N 3.17Å; T111-F115 HydrophobicContact CG2-CD2 4.38Å; T111-F115 WeakPolarHBondContact O-CD2 3.32Å; T111-F115 PolarHBondContact O-N 3.06Å
112R95.4Very high94Very high55 Ų5523.3 Ų23.321%0.20811%0.108CC..Hα-helixtrans-62.5-41.3174.8-65.9-174.9-61.4-93.11.5111.7L106 K107 E108 E109 F115 F116 L197L106-R112 HydrophobicContact CB-CG 3.86Å; L106-R112 HydrophobicContact CD1-CG 4.46Å; L106-R112 PolarHBondContact O-NH1 3.13Å; K107-R112 VanDerWaalsContact C-NH1 3.34Å; K107-R112 PolarHBondContact O-NH1 3.46Å; E108-R112 PolarHBondContact O-N 3.02Å; E108-R112 PolarHBondContact O-NH1 3.06Å; E109-R112 CarbonylContact O-C 3.58Å; E109-R112 WeakPolarHBondContact O-CA 3.42Å; E109-R112 WeakPolarHBondContact O-CB 3.3Å; E109-R112 PolarHBondContact O-N 2.86Å; R112-F115 CarbonylContact O-C 3.56Å; R112-F115 WeakPolarHBondContact O-CA 3.44Å; R112-F115 WeakPolarHBondContact O-CB 3.48Å; R112-F115 PolarHBondContact O-N 2.84Å; R112-F115 VanDerWaalsContact O-N 3.17Å; R112-F116 PolarHBondContact O-N 3.27Å; R112-L197 HydrophobicContact CB-CD1 4.34Å; R112-L197 WeakPolarHBondContact O-CD1 3.43Å
113Y95.9Very high94.3Very high3 Ų322 Ų221%0.01210%0.101CC..Hα-helixtrans-64-44.1177.3-177.4-118.4000112.5E109 I110 F115 F116 L117 E193 V344 R346 S347E109-Y113 PolarHBondContact O-N 3.41Å; I110-Y113 PolarHBondContact O-N 3.24Å; Y113-F115 VanDerWaalsContact C-N 3.27Å; Y113-F115 PolarHBondContact O-N 3.47Å; Y113-F116 AromaticContact CD2-CD1 3.88Å; Y113-F116 HydrophobicContact CD2-CD1 3.88Å; Y113-F116 HydrophobicContact CD2-CE1 4.5Å; Y113-F116 AromaticContact CE2-CD1 3.85Å; Y113-F116 HydrophobicContact CE2-CD1 3.85Å; Y113-F116 HydrophobicContact CE2-CE1 4.06Å; Y113-F116 WeakPolarHBondContact O-CB 3.44Å; Y113-F116 PolarHBondContact O-N 2.81Å; Y113-F116 VanDerWaalsContact O-N 3.11Å; Y113-L117 HydrophobicContact CD1-CD1 4.03Å; Y113-L117 HydrophobicContact CE1-CD1 3.62Å; Y113-L117 HydrophobicContact CE1-CG 4.26Å; Y113-L117 HydrophobicContact CE2-CD2 4.34Å; Y113-L117 HydrophobicContact CE2-CG 4.29Å; Y113-L117 WeakPolarHBondContact O-CG 3.47Å; Y113-L117 PolarHBondContact O-N 3.39Å; Y113-E193 HydrophobicContact CD2-CG 4.34Å; Y113-E193 WeakPolarHBondContact CD2-OE2 3.42Å; Y113-V344 HydrophobicContact CD1-CG1 3.5Å; Y113-V344 HydrophobicContact CE1-CG1 4.17Å; Y113-V344 HydrophobicContact CG-CG1 3.73Å; Y113-R346 HydrophobicContact CE2-CG 3.94Å; Y113-R346 WeakPolarHBondContact OH-CA 3.26Å; Y113-S347 PolarHBondContact OH-N 3.36Å; Y113-S347 PolarHBondContact OH-O 3.39Å
114Q96.8Very high94.3Very high10 Ų1024.8 Ų24.85%0.04712%0.115CC..Hα-helixtrans-63.7-33173.4-64.4-64.8-40.900112L18 V49 L51 F57 I110 T111 Q118L18-Q114 HydrophobicContact CD1-CB 4.34Å; L18-Q114 WeakPolarHBondContact CD1-O 3.42Å; V49-Q114 HydrophobicContact CG1-CG 4.07Å; L51-Q114 HydrophobicContact CD1-CG 4.46Å; L51-Q114 HydrophobicContact CD2-CG 4.3Å; F57-Q114 HydrophobicContact CE1-CB 3.71Å; F57-Q114 HydrophobicContact CZ-CB 3.82Å; I110-Q114 HydrophobicContact CD1-CG 4.36Å; I110-Q114 VanDerWaalsContact O-CG 3.29Å; I110-Q114 WeakPolarHBondContact O-CG 3.42Å; I110-Q114 PolarHBondContact O-N 3.34Å; T111-Q114 PolarHBondContact O-N 3.17Å; Q114-Q118 PolarHBondContact O-N 2.75Å; Q114-Q118 VanDerWaalsContact O-N 3.11Å
115F97.3Very high94.3Very high0 Ų026 Ų260%012%0.118CC..Hα-helixtrans-64.9-43.4168.9-97-98.8000113.1Y56 F57 I96 Y99 A100 P103 L106 T111 R112 Y113 V119 L197Y56-F115 HydrophobicContact CD1-CZ 4.4Å; Y56-F115 HydrophobicContact CD2-CE2 4.45Å; Y56-F115 HydrophobicContact CG-CE2 4.2Å; Y56-F115 HydrophobicContact CG-CZ 4.28Å; F57-F115 HydrophobicContact CZ-CD2 4.13Å; F57-F115 HydrophobicContact CZ-CE2 4.16Å; I96-F115 HydrophobicContact CD1-CB 4.22Å; I96-F115 HydrophobicContact CD1-CD1 3.62Å; I96-F115 HydrophobicContact CD1-CD2 3.59Å; I96-F115 HydrophobicContact CD1-CE1 3.77Å; I96-F115 HydrophobicContact CD1-CE2 3.76Å; I96-F115 HydrophobicContact CD1-CG 3.54Å; I96-F115 HydrophobicContact CD1-CZ 3.85Å; I96-F115 HydrophobicContact CG2-CE1 4.27Å; I96-F115 HydrophobicContact CG2-CZ 3.96Å; Y99-F115 HydrophobicContact CD1-CE1 4.43Å; A100-F115 HydrophobicContact CB-CE1 4.14Å; A100-F115 HydrophobicContact CB-CZ 4.13Å; P103-F115 HydrophobicContact CB-CD1 3.91Å; P103-F115 HydrophobicContact CB-CE1 4.5Å; P103-F115 HydrophobicContact CB-CG 4.39Å; L106-F115 HydrophobicContact CD1-CB 4.23Å; L106-F115 HydrophobicContact CD1-CD1 4.15Å; L106-F115 HydrophobicContact CD1-CD2 3.36Å; L106-F115 HydrophobicContact CD1-CE1 4.38Å; L106-F115 HydrophobicContact CD1-CE2 3.63Å; L106-F115 HydrophobicContact CD1-CG 3.64Å; L106-F115 HydrophobicContact CD1-CZ 4.14Å; L106-F115 HydrophobicContact CD2-CE2 4.4Å; T111-F115 HydrophobicContact CG2-CD2 4.38Å; T111-F115 WeakPolarHBondContact O-CD2 3.32Å; T111-F115 PolarHBondContact O-N 3.06Å; R112-F115 CarbonylContact O-C 3.56Å; R112-F115 WeakPolarHBondContact O-CA 3.44Å; R112-F115 WeakPolarHBondContact O-CB 3.48Å; R112-F115 PolarHBondContact O-N 2.84Å; R112-F115 VanDerWaalsContact O-N 3.17Å; Y113-F115 VanDerWaalsContact C-N 3.27Å; Y113-F115 PolarHBondContact O-N 3.47Å; F115-V119 WeakPolarHBondContact O-CB 2.95Å; F115-V119 WeakPolarHBondContact O-CG2 3.39Å; F115-V119 PolarHBondContact O-N 3.4Å; F115-V119 VanDerWaalsContact O-N 3.11Å; F115-L197 HydrophobicContact CB-CD1 4.25Å; F115-L197 HydrophobicContact CB-CD2 4.08Å
116F97.4Very high94.4Very high0 Ų019.6 Ų19.60%010%0.097CC..Hα-helixtrans-58.9-47.9174.2158.5-101.7000111.4R112 Y113 V119 K120 A142 E193 Y196 L197R112-F116 PolarHBondContact O-N 3.27Å; Y113-F116 AromaticContact CD2-CD1 3.88Å; Y113-F116 HydrophobicContact CD2-CD1 3.88Å; Y113-F116 HydrophobicContact CD2-CE1 4.5Å; Y113-F116 AromaticContact CE2-CD1 3.85Å; Y113-F116 HydrophobicContact CE2-CD1 3.85Å; Y113-F116 HydrophobicContact CE2-CE1 4.06Å; Y113-F116 WeakPolarHBondContact O-CB 3.44Å; Y113-F116 PolarHBondContact O-N 2.81Å; Y113-F116 VanDerWaalsContact O-N 3.11Å; F116-V119 PolarHBondContact O-N 2.84Å; F116-K120 HydrophobicContact CZ-CD 4.22Å; F116-K120 WeakPolarHBondContact O-CB 3.33Å; F116-K120 PolarHBondContact O-N 2.78Å; F116-A142 HydrophobicContact CE2-CB 4.27Å; F116-A142 HydrophobicContact CZ-CB 4.18Å; F116-E193 HydrophobicContact CB-CB 4.3Å; F116-E193 HydrophobicContact CB-CG 4.37Å; F116-E193 HydrophobicContact CD1-CG 3.85Å; F116-E193 HydrophobicContact CD2-CB 4.36Å; F116-E193 HydrophobicContact CD2-CG 4.12Å; F116-E193 HydrophobicContact CE1-CG 4.09Å; F116-E193 HydrophobicContact CE2-CG 4.36Å; F116-E193 HydrophobicContact CG-CB 4.2Å; F116-E193 HydrophobicContact CG-CG 3.85Å; F116-E193 HydrophobicContact CZ-CG 4.34Å; F116-Y196 AromaticContact CD2-CD1 3.79Å; F116-Y196 HydrophobicContact CD2-CD1 3.79Å; F116-Y196 HydrophobicContact CD2-CD2 4.05Å; F116-Y196 HydrophobicContact CD2-CE1 4.35Å; F116-Y196 AromaticContact CD2-CG 3.67Å; F116-Y196 HydrophobicContact CD2-CG 3.67Å; F116-Y196 HydrophobicContact CE2-CD1 4.25Å; F116-Y196 AromaticContact CE2-CD2 3.68Å; F116-Y196 HydrophobicContact CE2-CD2 3.68Å; F116-Y196 HydrophobicContact CE2-CE2 4.11Å; F116-Y196 AromaticContact CE2-CG 3.79Å; F116-Y196 HydrophobicContact CE2-CG 3.79Å; F116-L197 HydrophobicContact CB-CD1 4.3Å; F116-L197 HydrophobicContact CB-CG 4.36Å
117L96.8Very high94.4Very high3 Ų323.4 Ų23.42%0.01611%0.111CC..Hα-helixtrans-60.5-47.7179.4-69.3173.6000112.8L18 D19 Y113 V119 K120 Q121L18-L117 HydrophobicContact CB-CB 3.95Å; L18-L117 HydrophobicContact CB-CD1 4.28Å; D19-L117 HydrophobicContact CB-CD1 3.81Å; Y113-L117 HydrophobicContact CD1-CD1 4.03Å; Y113-L117 HydrophobicContact CE1-CD1 3.62Å; Y113-L117 HydrophobicContact CE1-CG 4.26Å; Y113-L117 HydrophobicContact CE2-CD2 4.34Å; Y113-L117 HydrophobicContact CE2-CG 4.29Å; Y113-L117 WeakPolarHBondContact O-CG 3.47Å; Y113-L117 PolarHBondContact O-N 3.39Å; L117-V119 VanDerWaalsContact C-N 3.34Å; L117-V119 PolarHBondContact O-N 3.17Å; L117-K120 PolarHBondContact O-N 3.02Å; L117-Q121 WeakPolarHBondContact O-CG 3.19Å; L117-Q121 PolarHBondContact O-N 3.04Å
118Q96.8Very high94.7Very high1 Ų120.2 Ų20.21%0.00510%0.098CC..Hα-helixtrans-61.7-41.6177.8178.268.310200112.1L18 I96 Y99 Q114 Q121 D122L18-Q118 HydrophobicContact CD1-CB 4.03Å; L18-Q118 HydrophobicContact CD2-CB 3.98Å; L18-Q118 HydrophobicContact CD2-CG 4.47Å; I96-Q118 HydrophobicContact CB-CG 4Å; I96-Q118 HydrophobicContact CD1-CB 3.58Å; I96-Q118 HydrophobicContact CD1-CG 3.85Å; I96-Q118 HydrophobicContact CG1-CB 3.86Å; I96-Q118 HydrophobicContact CG1-CG 3.84Å; I96-Q118 VanDerWaalsContact N-OE1 3.11Å; Y99-Q118 HydrophobicContact CE1-CG 4.25Å; Y99-Q118 WeakPolarHBondContact OH-CG 3.47Å; Q114-Q118 PolarHBondContact O-N 2.75Å; Q114-Q118 VanDerWaalsContact O-N 3.11Å; Q118-Q121 WeakPolarHBondContact O-CB 3.24Å; Q118-Q121 PolarHBondContact O-N 3.36Å; Q118-D122 PolarHBondContact O-N 3.29Å
119V96.9Very high94.8Very high0 Ų022.6 Ų22.60%011%0.113CC..Hα-helixtrans-73.2-33.8-178.2-178.30000110.7Y99 F115 F116 L117 Q121 D122 V123 L128 Y196 L197 A200 Y206Y99-V119 HydrophobicContact CE1-CG2 4.41Å; F115-V119 WeakPolarHBondContact O-CB 2.95Å; F115-V119 WeakPolarHBondContact O-CG2 3.39Å; F115-V119 PolarHBondContact O-N 3.4Å; F115-V119 VanDerWaalsContact O-N 3.11Å; F116-V119 PolarHBondContact O-N 2.84Å; L117-V119 VanDerWaalsContact C-N 3.34Å; L117-V119 PolarHBondContact O-N 3.17Å; V119-Q121 VanDerWaalsContact C-N 3.33Å; V119-Q121 PolarHBondContact O-N 2.64Å; V119-D122 PolarHBondContact O-N 3.15Å; V119-D122 VanDerWaalsContact O-N 3.17Å; V119-V123 WeakPolarHBondContact O-CG2 3.33Å; V119-V123 PolarHBondContact O-N 3.07Å; V119-L128 HydrophobicContact CG1-CD2 3.7Å; V119-Y196 HydrophobicContact CB-CE1 4.3Å; V119-Y196 HydrophobicContact CG1-CE1 3.94Å; V119-L197 HydrophobicContact CG2-CD2 4.23Å; V119-A200 HydrophobicContact CG1-CB 3.7Å; V119-Y206 HydrophobicContact CG1-CE2 4.46Å; V119-Y206 HydrophobicContact CG2-CE2 3.8Å
120K96.2Very high94.8Very high20 Ų2022.1 Ų22.19%0.08711%0.114CC..Hα-helixtrans-58.2-44.1169.4-173.4178.161.7164.70111.4F116 L117 V123 L124 A142 E146 Y196 S349F116-K120 HydrophobicContact CZ-CD 4.22Å; F116-K120 WeakPolarHBondContact O-CB 3.33Å; F116-K120 PolarHBondContact O-N 2.78Å; L117-K120 PolarHBondContact O-N 3.02Å; K120-V123 PolarHBondContact O-N 3.24Å; K120-L124 WeakPolarHBondContact O-CB 3.26Å; K120-L124 PolarHBondContact O-N 3.08Å; K120-A142 HydrophobicContact CD-CB 4.39Å; K120-E146 IonicContact NZ-OE1 2.81Å; K120-E146 PolarHBondContact NZ-OE1 2.94Å; K120-E146 IonicContact NZ-OE2 2.63Å; K120-Y196 WeakPolarHBondContact CA-OH 3.45Å; K120-S349 PolarHBondContact NZ-OG 3.07Å
121Q95.1Very high94.9Very high24 Ų2425 Ų2511%0.11213%0.134CC..Hα-helixtrans-62.6-44.3171.7-68.6177.9-3.600112.3L18 L117 Q118 V119 V123 L124 Q125L18-Q121 PolarHBondContact O-NE2 3.4Å; L18-Q121 VanDerWaalsContact O-NE2 3.11Å; L117-Q121 WeakPolarHBondContact O-CG 3.19Å; L117-Q121 PolarHBondContact O-N 3.04Å; Q118-Q121 WeakPolarHBondContact O-CB 3.24Å; Q118-Q121 PolarHBondContact O-N 3.36Å; V119-Q121 VanDerWaalsContact C-N 3.33Å; V119-Q121 PolarHBondContact O-N 2.64Å; Q121-V123 VanDerWaalsContact C-N 3.3Å; Q121-V123 PolarHBondContact O-N 3.01Å; Q121-L124 PolarHBondContact O-N 3.06Å; Q121-Q125 VanDerWaalsContact O-CB 3.31Å; Q121-Q125 WeakPolarHBondContact O-CB 3.37Å; Q121-Q125 VanDerWaalsContact O-CG 3.26Å; Q121-Q125 WeakPolarHBondContact O-CG 3.5Å; Q121-Q125 PolarHBondContact O-N 2.96Å
122D95.3Very high94.9Very high6 Ų629.3 Ų29.33%0.03216%0.16CC..Hα-helixtrans-61.1-36.1179.9-71.3-40.8000112.5Y99 Q118 V119 G126 R127 L128Y99-D122 PolarHBondContact OH-OD2 3.47Å; Q118-D122 PolarHBondContact O-N 3.29Å; V119-D122 PolarHBondContact O-N 3.15Å; V119-D122 VanDerWaalsContact O-N 3.17Å; D122-G126 PolarHBondContact O-N 2.86Å; D122-R127 HydrophobicContact CB-CB 4.44Å; D122-R127 WeakPolarHBondContact O-CA 3.46Å; D122-R127 WeakPolarHBondContact O-CB 3.49Å; D122-R127 PolarHBondContact O-N 2.97Å; D122-R127 WeakPolarHBondContact OD1-CD 3.4Å; D122-R127 IonicContact OD1-CZ 3.53Å; D122-R127 IonicContact OD1-NE 3.7Å; D122-R127 IonicContact OD1-NH1 2.75Å; D122-R127 PolarHBondContact OD1-NH1 3.27Å; D122-R127 IonicContact OD2-NH1 3.5Å; D122-L128 HydrophobicContact CB-CB 4.01Å; D122-L128 PolarHBondContact O-N 3.24Å
123V96.3Very high94.9Very high5 Ų532.9 Ų32.93%0.0318%0.183CC..Hα-helixtrans-73.1-46.2175.2179.70000111.1V119 K120 Q121 Q125 G126 L128 C130 L138 F165 V166V119-V123 WeakPolarHBondContact O-CG2 3.33Å; V119-V123 PolarHBondContact O-N 3.07Å; K120-V123 PolarHBondContact O-N 3.24Å; Q121-V123 VanDerWaalsContact C-N 3.3Å; Q121-V123 PolarHBondContact O-N 3.01Å; V123-Q125 VanDerWaalsContact C-N 3.31Å; V123-Q125 PolarHBondContact O-N 3.07Å; V123-G126 PolarHBondContact O-N 3.18Å; V123-L128 HydrophobicContact CG2-CB 4.01Å; V123-L128 HydrophobicContact CG2-CD2 3.86Å; V123-L128 HydrophobicContact CG2-CG 4.01Å; V123-C130 HydrophobicContact CG1-CB 4.46Å; V123-L138 HydrophobicContact CG2-CD1 4.29Å; V123-F165 WeakPolarHBondContact CG1-O 3.28Å; V123-V166 HydrophobicContact CG1-CG1 4.15Å
124L94.8Very high95Very high58 Ų5834.7 Ų34.730%0.30419%0.193SC..Hα-helixtrans-62.5-35.7178.9176.557.8000112.8K120 Q121 G126 R164 P167K120-L124 WeakPolarHBondContact O-CB 3.26Å; K120-L124 PolarHBondContact O-N 3.08Å; Q121-L124 PolarHBondContact O-N 3.06Å; L124-G126 PolarHBondContact O-N 3.13Å; L124-R164 HydrophobicContact CD1-CB 3.78Å; L124-P167 VanDerWaalsContact O-CD 3.28Å; L124-P167 WeakPolarHBondContact O-CD 3.43Å
125Q91.2Very high95Very high62 Ų6234.4 Ų34.429%0.2919%0.192SC..THydrogen-bonded Turntrans-80.2-1.9175.4-65.9168.315.700112.9Q121 V123 R127 E415Q121-Q125 VanDerWaalsContact O-CB 3.31Å; Q121-Q125 WeakPolarHBondContact O-CB 3.37Å; Q121-Q125 VanDerWaalsContact O-CG 3.26Å; Q121-Q125 WeakPolarHBondContact O-CG 3.5Å; Q121-Q125 PolarHBondContact O-N 2.96Å; V123-Q125 VanDerWaalsContact C-N 3.31Å; V123-Q125 PolarHBondContact O-N 3.07Å; Q125-R127 PolarHBondContact O-N 2.86Å; Q125-E415 PolarHBondContact NE2-OE1 3.04Å
126G91.3Very high95Very high26 Ų2634.5 Ų34.527%0.26819%0.193SC..THydrogen-bonded Turntrans69.69.1-177.500000114.8D122 V123 L124 L128D122-G126 PolarHBondContact O-N 2.86Å; V123-G126 PolarHBondContact O-N 3.18Å; L124-G126 PolarHBondContact O-N 3.13Å; G126-L128 VanDerWaalsContact C-N 3.3Å
127R91.8Very high95Very high86 Ų8638 Ų3833%0.32521%0.209SC..SBendtrans-69-30.1175177.1172.8171.8-125.6-5.2111.8Y99 D122 Q125 P129 V208Y99-R127 PolarHBondContact OH-NH1 3.16Å; D122-R127 HydrophobicContact CB-CB 4.44Å; D122-R127 WeakPolarHBondContact O-CA 3.46Å; D122-R127 WeakPolarHBondContact O-CB 3.49Å; D122-R127 PolarHBondContact O-N 2.97Å; D122-R127 WeakPolarHBondContact OD1-CD 3.4Å; D122-R127 IonicContact OD1-CZ 3.53Å; D122-R127 IonicContact OD1-NE 3.7Å; D122-R127 IonicContact OD1-NH1 2.75Å; D122-R127 PolarHBondContact OD1-NH1 3.27Å; D122-R127 IonicContact OD2-NH1 3.5Å; Q125-R127 PolarHBondContact O-N 2.86Å; R127-P129 WeakPolarHBondContact O-CD 3.48Å; R127-V208 PolarHBondContact NH2-O 2.89Å
128L94.3Very high95.1Very high5 Ų538 Ų383%0.02621%0.209CC..SBendtrans-111.791172.3-177.652.6000109.5V119 D122 V123 G126 C130 A200 L203 M205 Y206V119-L128 HydrophobicContact CG1-CD2 3.7Å; D122-L128 HydrophobicContact CB-CB 4.01Å; D122-L128 PolarHBondContact O-N 3.24Å; V123-L128 HydrophobicContact CG2-CB 4.01Å; V123-L128 HydrophobicContact CG2-CD2 3.86Å; V123-L128 HydrophobicContact CG2-CG 4.01Å; G126-L128 VanDerWaalsContact C-N 3.3Å; L128-C130 PolarHBondContact O-N 3.3Å; L128-A200 HydrophobicContact CD2-CB 4.5Å; L128-L203 HydrophobicContact CD1-CB 3.74Å; L128-L203 HydrophobicContact CD1-CD1 3.93Å; L128-L203 HydrophobicContact CD2-CD1 4.11Å; L128-L203 HydrophobicContact CG-CD1 3.85Å; L128-M205 HydrophobicContact CD1-CB 3.78Å; L128-Y206 HydrophobicContact CD2-CD2 4.38Å
129P92.3Very high95.1Very high51 Ų5138 Ų3833%0.33121%0.21SC..  trans-66125.2-178.5-21.134.2000111.5R127 M205 Y424R127-P129 WeakPolarHBondContact O-CD 3.48Å; P129-M205 HydrophobicContact CG-CG 4.41Å; P129-Y424 HydrophobicContact CB-CD2 4.46Å; P129-Y424 HydrophobicContact CG-CD2 4.05Å
130C92.6Very high95.1Very high31 Ų3138 Ų3821%0.20921%0.21CC..  trans-111.8130.5-179.9-680000110.7V123 L128 A135 L203V123-C130 HydrophobicContact CG1-CB 4.46Å; L128-C130 PolarHBondContact O-N 3.3Å; C130-A135 HydrophobicContact CB-CB 3.97Å; C130-L203 WeakPolarHBondContact SG-CD1 3.49Å
131P94.3Very high95.2Very high78 Ų7838.8 Ų38.851%0.50621%0.212SC..  trans-57.5146.2162.4-21.632.9000110.5N133 I134 A135P131-N133 VanDerWaalsContact C-N 3.27Å; P131-N133 PolarHBondContact O-N 2.89Å; P131-N133 VanDerWaalsContact O-N 3.13Å; P131-I134 HydrophobicContact CB-CG1 4.31Å; P131-I134 HydrophobicContact CG-CG1 4.3Å; P131-I134 WeakPolarHBondContact O-CA 3.29Å; P131-I134 WeakPolarHBondContact O-CB 3.49Å; P131-I134 PolarHBondContact O-N 3.26Å; P131-A135 PolarHBondContact O-N 2.66Å
132V94.3Very high95.3Very high91 Ų9137.7 Ų37.755%0.55221%0.207SC*.Hα-helixtrans-52.2-43-172.8-177.40000112.6I134 A135 A136 L173V132-I134 VanDerWaalsContact C-N 3.3Å; V132-I134 PolarHBondContact O-N 2.96Å; V132-A135 PolarHBondContact O-N 3.18Å; V132-A136 PolarHBondContact O-N 2.99Å; V132-L173 HydrophobicContact CG1-CD1 4.29Å
133N95.6Very high95.4Very high131 Ų13137.6 Ų37.670%0.70121%0.207SC*.Hα-helixtrans-62.4-35.9178.6-59.25000112.7P131 Q137P131-N133 VanDerWaalsContact C-N 3.27Å; P131-N133 PolarHBondContact O-N 2.89Å; P131-N133 VanDerWaalsContact O-N 3.13Å; N133-Q137 WeakPolarHBondContact O-CG 3.46Å; N133-Q137 PolarHBondContact O-N 3.14Å
134I97.1Very high95.4Very high40 Ų4037.4 Ų37.421%0.20521%0.206CC..Hα-helixtrans-76.6-41.1176.6-56.9-59.1000110.2P131 V132 A136 Q137 L138 T199 L203P131-I134 HydrophobicContact CB-CG1 4.31Å; P131-I134 HydrophobicContact CG-CG1 4.3Å; P131-I134 WeakPolarHBondContact O-CA 3.29Å; P131-I134 WeakPolarHBondContact O-CB 3.49Å; P131-I134 PolarHBondContact O-N 3.26Å; V132-I134 VanDerWaalsContact C-N 3.3Å; V132-I134 PolarHBondContact O-N 2.96Å; I134-A136 PolarHBondContact O-N 3.18Å; I134-Q137 PolarHBondContact O-N 3.14Å; I134-L138 HydrophobicContact CG2-CD1 3.97Å; I134-L138 HydrophobicContact CG2-CG 4.16Å; I134-L138 WeakPolarHBondContact O-CB 3.49Å; I134-L138 VanDerWaalsContact O-CG 3.3Å; I134-L138 WeakPolarHBondContact O-CG 3.38Å; I134-L138 PolarHBondContact O-N 3.16Å; I134-T199 HydrophobicContact CG2-CG2 3.75Å; I134-L203 HydrophobicContact CG2-CD1 4.44Å; I134-L203 HydrophobicContact CG2-CD2 4.26Å
135A97.1Very high95.5Very high4 Ų434.9 Ų34.93%0.03319%0.193CC..Hα-helixtrans-57.9-36.6173.200000111.8C130 P131 V132 G139 V166 L173C130-A135 HydrophobicContact CB-CB 3.97Å; P131-A135 PolarHBondContact O-N 2.66Å; V132-A135 PolarHBondContact O-N 3.18Å; A135-G139 PolarHBondContact O-N 3.4Å; A135-V166 HydrophobicContact CB-CG1 4Å; A135-L173 HydrophobicContact CB-CD1 4.05Å; A135-L173 HydrophobicContact CB-CD2 4.32Å
136A97.7Very high95.6Very high3 Ų332.6 Ų32.63%0.02518%0.182CC..Hα-helixtrans-66.9-43.4176.100000112.7V132 I134 A140 L173 A176 I177 I180V132-A136 PolarHBondContact O-N 2.99Å; I134-A136 PolarHBondContact O-N 3.18Å; A136-A140 WeakPolarHBondContact O-CB 3.4Å; A136-A140 PolarHBondContact O-N 2.93Å; A136-L173 HydrophobicContact CB-CD1 3.75Å; A136-A176 HydrophobicContact CB-CB 3.77Å; A136-I177 HydrophobicContact CB-CG1 4.38Å; A136-I177 WeakPolarHBondContact O-CG1 3.41Å; A136-I180 HydrophobicContact CB-CD1 3.8Å
137Q97.9Very high95.6Very high73 Ų7333 Ų3334%0.34118%0.178SC..Hα-helixtrans-63.1-47.3174.1-71.2175.2-15.400111.7N133 I134 G139 A140 Y141 I180N133-Q137 WeakPolarHBondContact O-CG 3.46Å; N133-Q137 PolarHBondContact O-N 3.14Å; I134-Q137 PolarHBondContact O-N 3.14Å; Q137-G139 PolarHBondContact O-N 3.46Å; Q137-A140 PolarHBondContact O-N 2.67Å; Q137-Y141 HydrophobicContact CB-CE2 4.23Å; Q137-Y141 WeakPolarHBondContact O-CD2 3.29Å; Q137-Y141 PolarHBondContact O-N 3.48Å; Q137-I180 HydrophobicContact CG-CD1 4.11Å
138L98.1Very high95.7Very high3 Ų330 Ų302%0.01617%0.173CC..Hα-helixtrans-62-43.1178.3-68.7179.7000111.7V123 I134 Y141 A142 Y196 T199 A200V123-L138 HydrophobicContact CG2-CD1 4.29Å; I134-L138 HydrophobicContact CG2-CD1 3.97Å; I134-L138 HydrophobicContact CG2-CG 4.16Å; I134-L138 WeakPolarHBondContact O-CB 3.49Å; I134-L138 VanDerWaalsContact O-CG 3.3Å; I134-L138 WeakPolarHBondContact O-CG 3.38Å; I134-L138 PolarHBondContact O-N 3.16Å; L138-Y141 PolarHBondContact O-N 2.91Å; L138-A142 WeakPolarHBondContact O-CB 3.5Å; L138-A142 PolarHBondContact O-N 3.23Å; L138-Y196 HydrophobicContact CB-CD2 4.03Å; L138-Y196 HydrophobicContact CB-CE2 3.58Å; L138-Y196 HydrophobicContact CD2-CD1 3.9Å; L138-Y196 HydrophobicContact CD2-CD2 3.8Å; L138-Y196 HydrophobicContact CD2-CE1 3.98Å; L138-Y196 HydrophobicContact CD2-CE2 3.92Å; L138-Y196 HydrophobicContact CD2-CG 3.76Å; L138-Y196 WeakPolarHBondContact CD2-O 3.28Å; L138-Y196 HydrophobicContact CG-CE2 4.25Å; L138-Y196 WeakPolarHBondContact O-CD2 3.18Å; L138-Y196 WeakPolarHBondContact O-CE2 3.49Å; L138-T199 HydrophobicContact CD2-CG2 3.95Å; L138-T199 HydrophobicContact CG-CG2 4.34Å; L138-A200 HydrophobicContact CD2-CB 4.22Å
139G97.3Very high95.8Very high1 Ų133.1 Ų33.11%0.0119%0.19CC..Hα-helixtrans-61-44.3174.500000112.7A135 Q137 A142 I143A135-G139 PolarHBondContact O-N 3.4Å; Q137-G139 PolarHBondContact O-N 3.46Å; G139-A142 PolarHBondContact O-N 3.43Å; G139-I143 WeakPolarHBondContact O-CG1 3.3Å; G139-I143 PolarHBondContact O-N 3.33Å
140A97.8Very high95.9Very high0 Ų032.2 Ų32.20%018%0.18CC..Hα-helixtrans-64.4-41.4177.800000112.9A136 Q137 A142 I143 Q144 I177 I180 H181 L184A136-A140 WeakPolarHBondContact O-CB 3.4Å; A136-A140 PolarHBondContact O-N 2.93Å; Q137-A140 PolarHBondContact O-N 2.67Å; A140-A142 VanDerWaalsContact C-N 3.34Å; A140-A142 PolarHBondContact O-N 2.92Å; A140-I143 PolarHBondContact O-N 3.46Å; A140-Q144 WeakPolarHBondContact O-CB 3.49Å; A140-Q144 PolarHBondContact O-N 3.35Å; A140-I177 HydrophobicContact CB-CG2 4.41Å; A140-I180 HydrophobicContact CB-CB 3.68Å; A140-I180 HydrophobicContact CB-CG2 3.47Å; A140-I180 VanDerWaalsContact CB-CG2 3.47Å; A140-H181 HydrophobicContact CB-CB 4.46Å; A140-L184 HydrophobicContact CB-CD1 4.02Å
141Y98.3Very high96Very high36 Ų3632.7 Ų32.714%0.14118%0.181CC..Hα-helixtrans-64.6-36.1173.6-66.5-47.9000112.7Q137 L138 S145 L184 N195Q137-Y141 HydrophobicContact CB-CE2 4.23Å; Q137-Y141 WeakPolarHBondContact O-CD2 3.29Å; Q137-Y141 PolarHBondContact O-N 3.48Å; L138-Y141 PolarHBondContact O-N 2.91Å; Y141-S145 WeakPolarHBondContact O-CB 3.48Å; Y141-S145 PolarHBondContact O-N 3.09Å; Y141-L184 HydrophobicContact CD1-CD1 3.67Å; Y141-L184 HydrophobicContact CD1-CD2 4.29Å; Y141-L184 HydrophobicContact CE1-CD1 3.99Å; Y141-L184 HydrophobicContact CE1-CD2 3.77Å; Y141-N195 HydrophobicContact CD1-CB 3.89Å; Y141-N195 HydrophobicContact CD2-CB 4.21Å; Y141-N195 HydrophobicContact CE1-CB 3.65Å; Y141-N195 HydrophobicContact CE2-CB 3.96Å; Y141-N195 HydrophobicContact CG-CB 4.2Å
142A97.3Very high95.8Very high1 Ų133 Ų331%0.00818%0.182CC..Hα-helixtrans-67.1-39.8175.300000112F116 K120 L138 G139 A140 S145 E146 F165 Y196F116-A142 HydrophobicContact CE2-CB 4.27Å; F116-A142 HydrophobicContact CZ-CB 4.18Å; K120-A142 HydrophobicContact CD-CB 4.39Å; L138-A142 WeakPolarHBondContact O-CB 3.5Å; L138-A142 PolarHBondContact O-N 3.23Å; G139-A142 PolarHBondContact O-N 3.43Å; A140-A142 VanDerWaalsContact C-N 3.34Å; A140-A142 PolarHBondContact O-N 2.92Å; A142-S145 PolarHBondContact O-N 2.74Å; A142-E146 WeakPolarHBondContact O-CG 3.49Å; A142-E146 PolarHBondContact O-N 3.42Å; A142-E146 VanDerWaalsContact O-N 3.15Å; A142-F165 HydrophobicContact CB-CD1 4.25Å; A142-F165 HydrophobicContact CB-CE1 3.98Å; A142-Y196 HydrophobicContact CB-CD2 4.41Å; A142-Y196 HydrophobicContact CB-CE2 4.24Å
143I96.2Very high95.6Very high4 Ų438.8 Ų38.82%0.02120%0.196CC..Hα-helixtrans-64.7-47.7173.1-67.2-173.7000111.4G139 A140 S145 E146 L147 Y159 V160 F165 I177 H181G139-I143 WeakPolarHBondContact O-CG1 3.3Å; G139-I143 PolarHBondContact O-N 3.33Å; A140-I143 PolarHBondContact O-N 3.46Å; I143-S145 PolarHBondContact O-N 3.24Å; I143-E146 PolarHBondContact O-N 3.39Å; I143-E146 VanDerWaalsContact O-N 3.07Å; I143-L147 HydrophobicContact CG2-CB 4.24Å; I143-L147 HydrophobicContact CG2-CD1 3.9Å; I143-L147 HydrophobicContact CG2-CG 4.16Å; I143-L147 PolarHBondContact O-N 2.79Å; I143-Y159 HydrophobicContact CD1-CE2 4.17Å; I143-Y159 HydrophobicContact CG2-CE2 4.13Å; I143-V160 HydrophobicContact CD1-CB 4.3Å; I143-V160 HydrophobicContact CD1-CG1 4.01Å; I143-V160 HydrophobicContact CD1-CG2 3.87Å; I143-F165 HydrophobicContact CD1-CE2 4.31Å; I143-F165 HydrophobicContact CD1-CZ 3.74Å; I143-F165 HydrophobicContact CG1-CE1 4.06Å; I143-F165 HydrophobicContact CG1-CZ 3.56Å; I143-I177 HydrophobicContact CD1-CG2 3.54Å; I143-I177 HydrophobicContact CG1-CG2 4.39Å; I143-H181 VanDerWaalsContact CG2-CE1 3.42Å; I143-H181 WeakPolarHBondContact CG2-CE1 3.5Å
144Q96.8Very high95.3Very high1 Ų139.7 Ų39.71%0.00519%0.194CC..Hα-helixtrans-59.1-36178.5-175.168.932.100111.5A140 G148 D149 H181 L184 Q187 A192A140-Q144 WeakPolarHBondContact O-CB 3.49Å; A140-Q144 PolarHBondContact O-N 3.35Å; Q144-G148 WeakPolarHBondContact O-CA 3.22Å; Q144-G148 PolarHBondContact O-N 3.03Å; Q144-D149 PolarHBondContact NE2-OD1 3.09Å; Q144-H181 PolarHBondContact OE1-CD2 3.19Å; Q144-H181 VanDerWaalsContact OE1-CD2 3.26Å; Q144-H181 PolarHBondContact OE1-NE2 3.2Å; Q144-L184 HydrophobicContact CB-CB 4.37Å; Q144-L184 HydrophobicContact CB-CD1 3.95Å; Q144-L184 HydrophobicContact CG-CB 4Å; Q144-L184 HydrophobicContact CG-CD1 4.37Å; Q144-L184 PolarHBondContact NE2-O 2.77Å; Q144-Q187 HydrophobicContact CG-CB 4.19Å; Q144-Q187 PolarHBondContact NE2-O 2.98Å; Q144-A192 HydrophobicContact CB-CB 3.97Å; Q144-A192 HydrophobicContact CG-CB 3.92Å
145S95.9Very high95Very high5 Ų538.4 Ų38.44%0.03519%0.187CC..Hα-helixtrans-62.7-45.7173169.20000112.8Y141 A142 I143 S189 E193Y141-S145 WeakPolarHBondContact O-CB 3.48Å; Y141-S145 PolarHBondContact O-N 3.09Å; A142-S145 PolarHBondContact O-N 2.74Å; I143-S145 PolarHBondContact O-N 3.24Å; S145-S189 WeakPolarHBondContact O-CB 3.37Å; S145-S189 PolarHBondContact O-OG 3.18Å; S145-E193 WeakPolarHBondContact OG-CG 3.22Å; S145-E193 PolarHBondContact OG-OE1 2.81Å
146E93.3Very high94.6Very high14 Ų1441.5 Ų41.57%0.06521%0.206CC..Hα-helixtrans-94.1-29.8-167.2-68.3176.1-147.800114.5K120 A142 I143 R348 S349K120-E146 IonicContact NZ-OE1 2.81Å; K120-E146 PolarHBondContact NZ-OE1 2.94Å; K120-E146 IonicContact NZ-OE2 2.63Å; A142-E146 WeakPolarHBondContact O-CG 3.49Å; A142-E146 PolarHBondContact O-N 3.42Å; A142-E146 VanDerWaalsContact O-N 3.15Å; I143-E146 PolarHBondContact O-N 3.39Å; I143-E146 VanDerWaalsContact O-N 3.07Å; E146-R348 HydrophobicContact CB-CG 4.38Å; E146-R348 VanDerWaalsContact O-CZ 3.32Å; E146-R348 PolarHBondContact O-NE 3.14Å; E146-R348 PolarHBondContact O-NH2 2.87Å; E146-S349 VanDerWaalsContact CD-OG 3.22Å; E146-S349 PolarHBondContact OE1-OG 3.41Å; E146-S349 WeakPolarHBondContact OE2-CB 3.48Å; E146-S349 PolarHBondContact OE2-N 2.82Å; E146-S349 PolarHBondContact OE2-OG 3.01Å
147L92.8Very high94Very high36 Ų3647.6 Ų47.619%0.18824%0.242CC..Hα-helixtrans-104.1-26.1178.9-61.3-168.2000113.6I143 H155 Y159 Y163I143-L147 HydrophobicContact CG2-CB 4.24Å; I143-L147 HydrophobicContact CG2-CD1 3.9Å; I143-L147 HydrophobicContact CG2-CG 4.16Å; I143-L147 PolarHBondContact O-N 2.79Å; L147-H155 WeakPolarHBondContact CD1-NE2 3.43Å; L147-Y159 HydrophobicContact CD1-CD2 4.13Å; L147-Y159 HydrophobicContact CD1-CE2 4.34Å; L147-Y163 HydrophobicContact CD1-CE2 4.26Å
148G93.9Very high93.5Very high21 Ų2145.3 Ų45.322%0.21624%0.238CC..  trans73-167.6-165.200000111.8Q144 H181Q144-G148 WeakPolarHBondContact O-CA 3.22Å; Q144-G148 PolarHBondContact O-N 3.03Å; G148-H181 PolarHBondContact O-NE2 3.04Å; G148-H181 VanDerWaalsContact O-NE2 3.12Å
149D95.4Very high93.3Very high72 Ų7245.3 Ų45.339%0.38524%0.238SC..SBendtrans-51.5146.9-171.2-69.5-19.7000115.6Q144 D151 H155 M185 G186Q144-D149 PolarHBondContact NE2-OD1 3.09Å; D149-D151 PolarHBondContact O-N 3.13Å; D149-H155 PolarHBondContact O-CE1 2.92Å; D149-M185 HydrophobicContact CB-CG 4.45Å; D149-M185 WeakPolarHBondContact OD1-CA 3.17Å; D149-G186 VanDerWaalsContact CG-N 3.26Å; D149-G186 PolarHBondContact OD1-N 2.71Å; D149-G186 PolarHBondContact OD2-N 3.27Å
150Y95.3Very high93.1Very high32 Ų3245.3 Ų45.313%0.12524%0.238CC..  trans-62.696.1175.1-178-95.9000112.8P152 H155 Y159 H181 K182 M185Y150-P152 HydrophobicContact CD1-CG 4.44Å; Y150-P152 HydrophobicContact CE1-CB 4.29Å; Y150-P152 HydrophobicContact CE1-CG 3.91Å; Y150-H155 HydrophobicContact CD2-CB 3.71Å; Y150-H155 AromaticContact CD2-CG 3.97Å; Y150-H155 AromaticContact CD2-ND1 3.81Å; Y150-H155 HydrophobicContact CE2-CB 3.32Å; Y150-H155 PolarHBondContact OH-O 2.95Å; Y150-Y159 HydrophobicContact CE2-CE1 4.07Å; Y150-H181 AromaticContact CD2-ND1 3.9Å; Y150-K182 HydrophobicContact CD1-CD 4.43Å; Y150-K182 HydrophobicContact CD1-CG 3.64Å; Y150-K182 HydrophobicContact CD2-CG 3.96Å; Y150-K182 HydrophobicContact CE1-CD 4.24Å; Y150-K182 HydrophobicContact CE1-CG 3.94Å; Y150-K182 HydrophobicContact CE2-CG 4.23Å; Y150-K182 HydrophobicContact CG-CG 3.67Å; Y150-K182 WeakPolarHBondContact OH-CE 3.23Å; Y150-M185 WeakPolarHBondContact O-CE 3.29Å
151D93.4Very high92.9Very high40 Ų4045.5 Ų45.521%0.21424%0.239CC..  trans-87.6118165.2-177.8-23.4000111.4D149 Y153 K154 H155D149-D151 PolarHBondContact O-N 3.13Å; D151-Y153 VanDerWaalsContact C-N 3.26Å; D151-Y153 PolarHBondContact O-N 3.14Å; D151-Y153 WeakPolarHBondContact OD1-CA 3.5Å; D151-Y153 WeakPolarHBondContact OD1-CB 3.49Å; D151-Y153 WeakPolarHBondContact OD1-CD2 3.44Å; D151-Y153 PolarHBondContact OD1-N 3.25Å; D151-K154 HydrophobicContact CB-CB 4.17Å; D151-K154 HydrophobicContact CB-CD 4.27Å; D151-K154 HydrophobicContact CB-CG 4.15Å; D151-K154 PolarHBondContact O-N 3.12Å; D151-K154 PolarHBondContact OD1-N 3.44Å; D151-K154 IonicContact OD2-NZ 2.61Å; D151-K154 PolarHBondContact OD2-NZ 2.98Å; D151-H155 PolarHBondContact N-ND1 2.98Å; D151-H155 WeakPolarHBondContact O-CB 3.17Å; D151-H155 PolarHBondContact O-N 3.04Å; D151-H155 PolarHBondContact O-ND1 3.34Å; D151-H155 VanDerWaalsContact O-ND1 3.08Å
152P90.9Very high92.6Very high84 Ų8446.1 Ų46.155%0.54524%0.244SC..THydrogen-bonded Turntrans-60-27.9177.9-22.432.2000115.3Y150Y150-P152 HydrophobicContact CD1-CG 4.44Å; Y150-P152 HydrophobicContact CE1-CB 4.29Å; Y150-P152 HydrophobicContact CE1-CG 3.91Å
153Y89.8Confident92.4Very high214 Ų21447 Ų4784%0.83925%0.247SC*.THydrogen-bonded Turntrans-81.7-23.5-178.7-58.6-79.9000112.5D151D151-Y153 VanDerWaalsContact C-N 3.26Å; D151-Y153 PolarHBondContact O-N 3.14Å; D151-Y153 WeakPolarHBondContact OD1-CA 3.5Å; D151-Y153 WeakPolarHBondContact OD1-CB 3.49Å; D151-Y153 WeakPolarHBondContact OD1-CD2 3.44Å; D151-Y153 PolarHBondContact OD1-N 3.25Å
154K89.8Confident92.3Very high150 Ų15052 Ų5265%0.65227%0.265SS*.THydrogen-bonded Turntrans-92.8-41.4174.3-60.6-175-176.386.30111.9D151 T156D151-K154 HydrophobicContact CB-CB 4.17Å; D151-K154 HydrophobicContact CB-CD 4.27Å; D151-K154 HydrophobicContact CB-CG 4.15Å; D151-K154 PolarHBondContact O-N 3.12Å; D151-K154 PolarHBondContact OD1-N 3.44Å; D151-K154 IonicContact OD2-NZ 2.61Å; D151-K154 PolarHBondContact OD2-NZ 2.98Å; K154-T156 PolarHBondContact O-N 3.01Å
155H91.1Very high92.2Very high13 Ų1352.6 Ų52.66%0.0627%0.268CS..SBendtrans-9465.1-172-58.4120.1000112.3L147 D149 Y150 D151 Y159L147-H155 WeakPolarHBondContact CD1-NE2 3.43Å; D149-H155 PolarHBondContact O-CE1 2.92Å; Y150-H155 HydrophobicContact CD2-CB 3.71Å; Y150-H155 AromaticContact CD2-CG 3.97Å; Y150-H155 AromaticContact CD2-ND1 3.81Å; Y150-H155 HydrophobicContact CE2-CB 3.32Å; Y150-H155 PolarHBondContact OH-O 2.95Å; D151-H155 PolarHBondContact N-ND1 2.98Å; D151-H155 WeakPolarHBondContact O-CB 3.17Å; D151-H155 PolarHBondContact O-N 3.04Å; D151-H155 PolarHBondContact O-ND1 3.34Å; D151-H155 VanDerWaalsContact O-ND1 3.08Å; H155-Y159 HydrophobicContact CB-CD1 3.83Å; H155-Y159 HydrophobicContact CB-CD2 4.22Å; H155-Y159 HydrophobicContact CB-CE1 3.82Å; H155-Y159 HydrophobicContact CB-CE2 4.2Å; H155-Y159 HydrophobicContact CB-CG 4.04Å; H155-Y159 AromaticContact CD2-CD2 3.56Å; H155-Y159 AromaticContact CD2-CE2 3.69Å
156T87.5Confident92.1Very high69 Ų6953.4 Ų53.442%0.42327%0.272SS..  trans-53.6145.2170.163.60000111.2K154 G158 Y159 K354K154-T156 PolarHBondContact O-N 3.01Å; T156-G158 PolarHBondContact O-N 3.37Å; T156-Y159 WeakPolarHBondContact O-CB 3.37Å; T156-Y159 WeakPolarHBondContact O-CD1 3.22Å; T156-Y159 PolarHBondContact O-N 2.68Å; T156-K354 PolarHBondContact OG1-NZ 3.01Å
157T85.6Confident91.9Very high130 Ų13056 Ų5680%0.79829%0.291SS*.THydrogen-bonded Turntrans-38.1128.2175.7-45.30000113
158G86.8Confident91.7Very high25 Ų2559.9 Ų59.926%0.25831%0.312SS..THydrogen-bonded Turntrans80.97.4177.800000115.9T156 V160 S161T156-G158 PolarHBondContact O-N 3.37Å; G158-V160 PolarHBondContact O-N 3.11Å; G158-S161 WeakPolarHBondContact O-CB 3.41Å; G158-S161 PolarHBondContact O-N 3.11Å; G158-S161 PolarHBondContact O-OG 2.95Å
159Y93.4Very high91.6Very high4 Ų459.9 Ų59.92%0.01631%0.306CS..G310 helixtrans-53.7-31.7170.973-76.1000113I143 L147 Y150 H155 T156 S161 E162 Y163 E178 H181I143-Y159 HydrophobicContact CD1-CE2 4.17Å; I143-Y159 HydrophobicContact CG2-CE2 4.13Å; L147-Y159 HydrophobicContact CD1-CD2 4.13Å; L147-Y159 HydrophobicContact CD1-CE2 4.34Å; Y150-Y159 HydrophobicContact CE2-CE1 4.07Å; H155-Y159 HydrophobicContact CB-CD1 3.83Å; H155-Y159 HydrophobicContact CB-CD2 4.22Å; H155-Y159 HydrophobicContact CB-CE1 3.82Å; H155-Y159 HydrophobicContact CB-CE2 4.2Å; H155-Y159 HydrophobicContact CB-CG 4.04Å; H155-Y159 AromaticContact CD2-CD2 3.56Å; H155-Y159 AromaticContact CD2-CE2 3.69Å; T156-Y159 WeakPolarHBondContact O-CB 3.37Å; T156-Y159 WeakPolarHBondContact O-CD1 3.22Å; T156-Y159 PolarHBondContact O-N 2.68Å; Y159-S161 PolarHBondContact O-N 3.12Å; Y159-E162 WeakPolarHBondContact CA-OE2 3.45Å; Y159-E162 VanDerWaalsContact O-CB 3.32Å; Y159-E162 WeakPolarHBondContact O-CB 3.41Å; Y159-E162 WeakPolarHBondContact O-CG 3.49Å; Y159-E162 PolarHBondContact O-N 3.23Å; Y159-E162 VanDerWaalsContact O-N 3.16Å; Y159-Y163 WeakPolarHBondContact O-CD2 3.36Å; Y159-E178 HydrophobicContact CE1-CB 4.33Å; Y159-E178 HydrophobicContact CE1-CG 3.79Å; Y159-E178 WeakPolarHBondContact CE1-OE2 3.31Å; Y159-H181 AromaticContact CE2-ND1 3.92Å; Y159-H181 AromaticContact CZ-ND1 3.76Å; Y159-H181 PolarHBondContact OH-ND1 3.49Å
160V93.7Very high91.5Very high1 Ų162.3 Ų62.31%0.00631%0.313CS..G310 helixtrans-58.8-33.1174.8-176.80000112.3I143 G158 E162 Y163 F165 E174 I177 E178I143-V160 HydrophobicContact CD1-CB 4.3Å; I143-V160 HydrophobicContact CD1-CG1 4.01Å; I143-V160 HydrophobicContact CD1-CG2 3.87Å; G158-V160 PolarHBondContact O-N 3.11Å; V160-E162 PolarHBondContact O-N 3.11Å; V160-Y163 PolarHBondContact O-N 2.92Å; V160-Y163 VanDerWaalsContact O-N 3.07Å; V160-F165 HydrophobicContact CG1-CE2 3.87Å; V160-E174 HydrophobicContact CB-CB 4.13Å; V160-E174 HydrophobicContact CG1-CB 3.79Å; V160-E174 HydrophobicContact CG1-CG 3.91Å; V160-I177 HydrophobicContact CG1-CB 3.86Å; V160-I177 HydrophobicContact CG1-CD1 4.18Å; V160-I177 HydrophobicContact CG1-CG2 3.58Å; V160-I177 HydrophobicContact CG2-CG2 4.15Å; V160-E178 HydrophobicContact CG2-CB 3.87Å
161S93.2Very high91.4Very high3 Ų364.9 Ų64.92%0.02133%0.326CS..G310 helixtrans-68.8-14.8-179.475.90000114G158 Y159 Y163 E174 K354 R355G158-S161 WeakPolarHBondContact O-CB 3.41Å; G158-S161 PolarHBondContact O-N 3.11Å; G158-S161 PolarHBondContact O-OG 2.95Å; Y159-S161 PolarHBondContact O-N 3.12Å; S161-Y163 PolarHBondContact O-N 2.94Å; S161-E174 WeakPolarHBondContact CB-OE2 3.44Å; S161-K354 WeakPolarHBondContact OG-CA 3.44Å; S161-R355 PolarHBondContact OG-N 2.81Å
162E92.6Very high91.5Very high50 Ų5069.1 Ų69.123%0.23435%0.345CS..G310 helixtrans-70.4-20.5172.8-55.3-178.4102.400111.5Y159 V160 T351 Y352 K354Y159-E162 WeakPolarHBondContact CA-OE2 3.45Å; Y159-E162 VanDerWaalsContact O-CB 3.32Å; Y159-E162 WeakPolarHBondContact O-CB 3.41Å; Y159-E162 WeakPolarHBondContact O-CG 3.49Å; Y159-E162 PolarHBondContact O-N 3.23Å; Y159-E162 VanDerWaalsContact O-N 3.16Å; V160-E162 PolarHBondContact O-N 3.11Å; E162-T351 HydrophobicContact CB-CG2 4.44Å; E162-T351 CarbonylContact O-C 3.57Å; E162-T351 VanDerWaalsContact O-CA 3.31Å; E162-T351 WeakPolarHBondContact O-CA 3.42Å; E162-Y352 WeakPolarHBondContact CA-O 3.42Å; E162-Y352 PolarHBondContact O-N 3.37Å; E162-K354 HydrophobicContact CG-CD 4.26Å; E162-K354 HydrophobicContact CG-CG 3.38Å; E162-K354 WeakPolarHBondContact OE1-CE 3.34Å; E162-K354 WeakPolarHBondContact OE2-CE 3.38Å; E162-K354 IonicContact OE2-NZ 2.71Å
163Y93.4Very high91.7Very high20 Ų2065.7 Ų65.78%0.07832%0.322CS..SBendtrans-107.9157.7-176.8-60.7-87.9000111.2L147 Y159 V160 S161 F165 Q169 T351L147-Y163 HydrophobicContact CD1-CE2 4.26Å; Y159-Y163 WeakPolarHBondContact O-CD2 3.36Å; V160-Y163 PolarHBondContact O-N 2.92Å; V160-Y163 VanDerWaalsContact O-N 3.07Å; S161-Y163 PolarHBondContact O-N 2.94Å; Y163-F165 HydrophobicContact CG-CZ 4.15Å; Y163-Q169 PolarHBondContact O-NE2 3.36Å; Y163-T351 HydrophobicContact CD1-CG2 4.47Å; Y163-T351 HydrophobicContact CE1-CG2 3.73Å; Y163-T351 HydrophobicContact CE2-CG2 4.37Å
164R94.3Very high92Very high108 Ų10856 Ų5641%0.40828%0.284SS..  trans-126.2119.6178.6-59-62.2170.391.51.9110.9L124 Y352L124-R164 HydrophobicContact CD1-CB 3.78Å; R164-Y352 HydrophobicContact CG-CD2 3.79Å; R164-Y352 HydrophobicContact CG-CE2 3.8Å
165F93.8Very high92.3Very high14 Ų1454.1 Ų54.16%0.06128%0.278CS..SBendtrans-112.6-26.2-176.2-51.6-74.7000112.8V123 A142 I143 V160 Y163 Q169 I177V123-F165 WeakPolarHBondContact CG1-O 3.28Å; A142-F165 HydrophobicContact CB-CD1 4.25Å; A142-F165 HydrophobicContact CB-CE1 3.98Å; I143-F165 HydrophobicContact CD1-CE2 4.31Å; I143-F165 HydrophobicContact CD1-CZ 3.74Å; I143-F165 HydrophobicContact CG1-CE1 4.06Å; I143-F165 HydrophobicContact CG1-CZ 3.56Å; V160-F165 HydrophobicContact CG1-CE2 3.87Å; Y163-F165 HydrophobicContact CG-CZ 4.15Å; F165-Q169 VanDerWaalsContact CD2-OE1 3.31Å; F165-I177 HydrophobicContact CD2-CD1 3.56Å; F165-I177 HydrophobicContact CE2-CD1 3.94Å; F165-I177 HydrophobicContact CG-CD1 4.19Å
166V94.4Very high92.6Very high21 Ų2154.3 Ų54.313%0.12728%0.281CS..SBendtrans-141.8156.5-179.3-63.80000109.2V123 A135 Q169 L173V123-V166 HydrophobicContact CG1-CG1 4.15Å; A135-V166 HydrophobicContact CB-CG1 4Å; V166-Q169 HydrophobicContact CG2-CB 3.84Å; V166-Q169 HydrophobicContact CG2-CG 4.1Å; V166-L173 HydrophobicContact CG1-CD2 4.32Å; V166-L173 HydrophobicContact CG2-CD2 3.48Å; V166-L173 VanDerWaalsContact CG2-CD2 3.48Å
167P88.8Confident93.1Very high70 Ų7051 Ų5146%0.45526%0.261SS..THydrogen-bonded Turntrans-67-41.9-174.323.8-31.6000112.8L124L124-P167 VanDerWaalsContact O-CD 3.28Å; L124-P167 WeakPolarHBondContact O-CD 3.43Å
168D87.9Confident93.6Very high116 Ų11646.2 Ų46.262%0.6223%0.23SC*.THydrogen-bonded Turntrans-103.658.6-178.9-61.7-63.8000111.5K170D168-K170 PolarHBondContact O-N 3.05Å
169Q92.3Very high94Very high22 Ų2252 Ų5210%0.10324%0.244CC..  trans-70.5124.1-172.2-165.4172.3-7100113.5Y163 F165 V166 L173 E174 R355Y163-Q169 PolarHBondContact O-NE2 3.36Å; F165-Q169 VanDerWaalsContact CD2-OE1 3.31Å; V166-Q169 HydrophobicContact CG2-CB 3.84Å; V166-Q169 HydrophobicContact CG2-CG 4.1Å; Q169-L173 HydrophobicContact CG-CD2 4.38Å; Q169-E174 HydrophobicContact CG-CG 4.05Å; Q169-E174 WeakPolarHBondContact CG-OE1 3.38Å; Q169-E174 PolarHBondContact NE2-OE1 2.99Å; Q169-R355 PolarHBondContact O-NH2 3.01Å; Q169-R355 VanDerWaalsContact O-NH2 3.11Å
170K93.1Very high94.2Very high122 Ų12253.9 Ų53.953%0.5325%0.254SS..  trans-105.3157.2-179.7-60.7-174.7-179.3-175.80112.8D168 E172 L173 E174D168-K170 PolarHBondContact O-N 3.05Å; K170-E172 WeakPolarHBondContact CD-OE2 3.33Å; K170-E172 IonicContact NZ-OE2 3.64Å; K170-E172 PolarHBondContact O-N 3.39Å; K170-L173 WeakPolarHBondContact O-CB 3.11Å; K170-L173 PolarHBondContact O-N 3.19Å; K170-L173 VanDerWaalsContact O-N 3.14Å; K170-E174 WeakPolarHBondContact O-CG 3.48Å; K170-E174 PolarHBondContact O-N 3.35Å
171E93.6Very high94.4Very high86 Ų8653.9 Ų53.940%0.40225%0.253SS..Hα-helixtrans-58.6-43174.1-163.4156.7-150.900112.5L173 E174 E175E171-L173 PolarHBondContact O-N 2.68Å; E171-L173 VanDerWaalsContact O-N 3.14Å; E171-E174 PolarHBondContact O-N 2.86Å; E171-E175 PolarHBondContact O-N 3.05Å
172E94.8Very high94.6Very high130 Ų13057.8 Ų57.861%0.60727%0.27SS*.Hα-helixtrans-50.3-38.9172.8-58.6168156.500113.5K170 A176K170-E172 WeakPolarHBondContact CD-OE2 3.33Å; K170-E172 IonicContact NZ-OE2 3.64Å; K170-E172 PolarHBondContact O-N 3.39Å; E172-A176 WeakPolarHBondContact O-CB 3.49Å; E172-A176 PolarHBondContact O-N 2.62Å
173L95.6Very high94.8Very high11 Ų1160.6 Ų60.66%0.05829%0.291CS..Hα-helixtrans-78.6-35.9-179.9172.460.2000111V132 A135 A136 V166 Q169 K170 E171 A176 I177V132-L173 HydrophobicContact CG1-CD1 4.29Å; A135-L173 HydrophobicContact CB-CD1 4.05Å; A135-L173 HydrophobicContact CB-CD2 4.32Å; A136-L173 HydrophobicContact CB-CD1 3.75Å; V166-L173 HydrophobicContact CG1-CD2 4.32Å; V166-L173 HydrophobicContact CG2-CD2 3.48Å; V166-L173 VanDerWaalsContact CG2-CD2 3.48Å; Q169-L173 HydrophobicContact CG-CD2 4.38Å; K170-L173 WeakPolarHBondContact O-CB 3.11Å; K170-L173 PolarHBondContact O-N 3.19Å; K170-L173 VanDerWaalsContact O-N 3.14Å; E171-L173 PolarHBondContact O-N 2.68Å; E171-L173 VanDerWaalsContact O-N 3.14Å; L173-A176 PolarHBondContact O-N 3.28Å; L173-I177 HydrophobicContact CD1-CD1 4.06Å; L173-I177 HydrophobicContact CD1-CG1 4.24Å; L173-I177 HydrophobicContact CG-CD1 3.95Å; L173-I177 VanDerWaalsContact O-CG1 3.24Å; L173-I177 WeakPolarHBondContact O-CG1 3.2Å; L173-I177 PolarHBondContact O-N 3.03Å
174E96.3Very high94.9Very high12 Ų1260.6 Ų60.66%0.05629%0.292CS..Hα-helixtrans-70.1-40.2179.2-67.2168.4-167.500111.8V160 S161 Q169 K170 E171 A176 I177 E178 R355V160-E174 HydrophobicContact CB-CB 4.13Å; V160-E174 HydrophobicContact CG1-CB 3.79Å; V160-E174 HydrophobicContact CG1-CG 3.91Å; S161-E174 WeakPolarHBondContact CB-OE2 3.44Å; Q169-E174 HydrophobicContact CG-CG 4.05Å; Q169-E174 WeakPolarHBondContact CG-OE1 3.38Å; Q169-E174 PolarHBondContact NE2-OE1 2.99Å; K170-E174 WeakPolarHBondContact O-CG 3.48Å; K170-E174 PolarHBondContact O-N 3.35Å; E171-E174 PolarHBondContact O-N 2.86Å; E174-A176 VanDerWaalsContact C-N 3.31Å; E174-A176 PolarHBondContact O-N 3.17Å; E174-I177 PolarHBondContact O-N 2.8Å; E174-E178 PolarHBondContact O-N 2.78Å; E174-R355 VanDerWaalsContact CD-NH1 3.26Å; E174-R355 IonicContact OE1-CZ 3.83Å; E174-R355 IonicContact OE1-NH1 3.33Å; E174-R355 PolarHBondContact OE1-NH1 3.47Å; E174-R355 IonicContact OE1-NH2 3.72Å; E174-R355 PolarHBondContact OE1-NH2 3.42Å; E174-R355 IonicContact OE2-CZ 2.81Å; E174-R355 IonicContact OE2-NH1 3.54Å; E174-R355 PolarHBondContact OE2-NH1 3.31Å; E174-R355 IonicContact OE2-NH2 3.73Å
175E95.7Very high95Very high110 Ų11060.6 Ų60.651%0.51430%0.298SS..Hα-helixtrans-59.7-41.2168.3-70.3-174.5-167.900112.2E171 E178 R179E171-E175 PolarHBondContact O-N 3.05Å; E175-E178 PolarHBondContact O-N 2.64Å; E175-R179 VanDerWaalsContact O-CB 3.25Å; E175-R179 WeakPolarHBondContact O-CB 3.11Å; E175-R179 PolarHBondContact O-N 3.31Å; E175-R179 IonicContact OE2-NH2 2.63Å; E175-R179 PolarHBondContact OE2-NH2 3.5Å
176A97.2Very high95Very high16 Ų1663 Ų6313%0.13233%0.327CS..Hα-helixtrans-66.3-39.5178.700000112A136 E172 L173 E174 R179 I180A136-A176 HydrophobicContact CB-CB 3.77Å; E172-A176 WeakPolarHBondContact O-CB 3.49Å; E172-A176 PolarHBondContact O-N 2.62Å; L173-A176 PolarHBondContact O-N 3.28Å; E174-A176 VanDerWaalsContact C-N 3.31Å; E174-A176 PolarHBondContact O-N 3.17Å; A176-R179 PolarHBondContact O-N 3.47Å; A176-I180 WeakPolarHBondContact O-CD1 3.39Å; A176-I180 VanDerWaalsContact O-CG1 3.27Å; A176-I180 WeakPolarHBondContact O-CG1 3.42Å; A176-I180 PolarHBondContact O-N 2.84Å
177I97.7Very high95.1Very high0 Ų063.2 Ų63.20%033%0.327CS..Hα-helixtrans-62.8-48.6172.6-71.5164.4000110.5A136 A140 I143 V160 F165 L173 E174 R179 I180 H181A136-I177 HydrophobicContact CB-CG1 4.38Å; A136-I177 WeakPolarHBondContact O-CG1 3.41Å; A140-I177 HydrophobicContact CB-CG2 4.41Å; I143-I177 HydrophobicContact CD1-CG2 3.54Å; I143-I177 HydrophobicContact CG1-CG2 4.39Å; V160-I177 HydrophobicContact CG1-CB 3.86Å; V160-I177 HydrophobicContact CG1-CD1 4.18Å; V160-I177 HydrophobicContact CG1-CG2 3.58Å; V160-I177 HydrophobicContact CG2-CG2 4.15Å; F165-I177 HydrophobicContact CD2-CD1 3.56Å; F165-I177 HydrophobicContact CE2-CD1 3.94Å; F165-I177 HydrophobicContact CG-CD1 4.19Å; L173-I177 HydrophobicContact CD1-CD1 4.06Å; L173-I177 HydrophobicContact CD1-CG1 4.24Å; L173-I177 HydrophobicContact CG-CD1 3.95Å; L173-I177 VanDerWaalsContact O-CG1 3.24Å; L173-I177 WeakPolarHBondContact O-CG1 3.2Å; L173-I177 PolarHBondContact O-N 3.03Å; E174-I177 PolarHBondContact O-N 2.8Å; I177-R179 VanDerWaalsContact C-N 3.31Å; I177-R179 PolarHBondContact O-N 2.9Å; I177-I180 PolarHBondContact O-N 2.79Å; I177-H181 WeakPolarHBondContact O-CB 3.44Å; I177-H181 PolarHBondContact O-N 3.28Å
178E96.4Very high95.4Very high30 Ų3061.9 Ų61.914%0.1432%0.322CS..Hα-helixtrans-59-43.1177.8179.1173.3144.100111.7Y159 V160 E174 E175 I180 H181 K182Y159-E178 HydrophobicContact CE1-CB 4.33Å; Y159-E178 HydrophobicContact CE1-CG 3.79Å; Y159-E178 WeakPolarHBondContact CE1-OE2 3.31Å; V160-E178 HydrophobicContact CG2-CB 3.87Å; E174-E178 PolarHBondContact O-N 2.78Å; E175-E178 PolarHBondContact O-N 2.64Å; E178-I180 VanDerWaalsContact C-N 3.35Å; E178-I180 PolarHBondContact O-N 3.18Å; E178-H181 PolarHBondContact O-N 3.34Å; E178-K182 HydrophobicContact CG-CD 4.42Å; E178-K182 WeakPolarHBondContact O-CG 3.5Å; E178-K182 PolarHBondContact O-N 2.85Å; E178-K182 WeakPolarHBondContact OE1-CE 3.34Å; E178-K182 IonicContact OE1-NZ 2.61Å; E178-K182 PolarHBondContact OE1-NZ 3.44Å
179R96.6Very high95.7Very high147 Ų14758 Ų5856%0.55530%0.304SS*.Hα-helixtrans-64.1-37.9179.6-166.1-176.5-54.3111.56112.4E175 A176 I177E175-R179 VanDerWaalsContact O-CB 3.25Å; E175-R179 WeakPolarHBondContact O-CB 3.11Å; E175-R179 PolarHBondContact O-N 3.31Å; E175-R179 IonicContact OE2-NH2 2.63Å; E175-R179 PolarHBondContact OE2-NH2 3.5Å; A176-R179 PolarHBondContact O-N 3.47Å; I177-R179 VanDerWaalsContact C-N 3.31Å; I177-R179 PolarHBondContact O-N 2.9Å
180I97.6Very high95.7Very high43 Ų4362.8 Ų62.822%0.22132%0.321CS..Hα-helixtrans-76-42176.1-63.8164.1000110.4A136 Q137 A140 A176 I177 E178 K182 T183 L184A136-I180 HydrophobicContact CB-CD1 3.8Å; Q137-I180 HydrophobicContact CG-CD1 4.11Å; A140-I180 HydrophobicContact CB-CB 3.68Å; A140-I180 HydrophobicContact CB-CG2 3.47Å; A140-I180 VanDerWaalsContact CB-CG2 3.47Å; A176-I180 WeakPolarHBondContact O-CD1 3.39Å; A176-I180 VanDerWaalsContact O-CG1 3.27Å; A176-I180 WeakPolarHBondContact O-CG1 3.42Å; A176-I180 PolarHBondContact O-N 2.84Å; I177-I180 PolarHBondContact O-N 2.79Å; E178-I180 VanDerWaalsContact C-N 3.35Å; E178-I180 PolarHBondContact O-N 3.18Å; I180-K182 VanDerWaalsContact C-N 3.26Å; I180-K182 PolarHBondContact O-N 3.46Å; I180-T183 WeakPolarHBondContact O-CA 3.35Å; I180-T183 WeakPolarHBondContact O-CB 3.41Å; I180-T183 PolarHBondContact O-N 3.07Å; I180-T183 PolarHBondContact O-OG1 3.39Å; I180-L184 HydrophobicContact CG2-CG 4.49Å; I180-L184 PolarHBondContact O-N 3.22Å
181H97.6Very high95.8Very high0 Ų060.5 Ų60.50%031%0.312CS..Hα-helixtrans-55.4-40.1179.1179.8-143.4000112.4A140 I143 Q144 G148 Y150 Y159 I177 E178 T183 L184A140-H181 HydrophobicContact CB-CB 4.46Å; I143-H181 VanDerWaalsContact CG2-CE1 3.42Å; I143-H181 WeakPolarHBondContact CG2-CE1 3.5Å; Q144-H181 PolarHBondContact OE1-CD2 3.19Å; Q144-H181 VanDerWaalsContact OE1-CD2 3.26Å; Q144-H181 PolarHBondContact OE1-NE2 3.2Å; G148-H181 PolarHBondContact O-NE2 3.04Å; G148-H181 VanDerWaalsContact O-NE2 3.12Å; Y150-H181 AromaticContact CD2-ND1 3.9Å; Y159-H181 AromaticContact CE2-ND1 3.92Å; Y159-H181 AromaticContact CZ-ND1 3.76Å; Y159-H181 PolarHBondContact OH-ND1 3.49Å; I177-H181 WeakPolarHBondContact O-CB 3.44Å; I177-H181 PolarHBondContact O-N 3.28Å; E178-H181 PolarHBondContact O-N 3.34Å; H181-T183 PolarHBondContact O-N 2.8Å; H181-L184 PolarHBondContact O-N 3.34Å
182K96.3Very high96Very high86 Ų8656.4 Ų56.437%0.37429%0.293SS..THydrogen-bonded Turntrans-58.1-18.5172.3-72.6169-177174.40114.8Y150 E178 I180Y150-K182 HydrophobicContact CD1-CD 4.43Å; Y150-K182 HydrophobicContact CD1-CG 3.64Å; Y150-K182 HydrophobicContact CD2-CG 3.96Å; Y150-K182 HydrophobicContact CE1-CD 4.24Å; Y150-K182 HydrophobicContact CE1-CG 3.94Å; Y150-K182 HydrophobicContact CE2-CG 4.23Å; Y150-K182 HydrophobicContact CG-CG 3.67Å; Y150-K182 WeakPolarHBondContact OH-CE 3.23Å; E178-K182 HydrophobicContact CG-CD 4.42Å; E178-K182 WeakPolarHBondContact O-CG 3.5Å; E178-K182 PolarHBondContact O-N 2.85Å; E178-K182 WeakPolarHBondContact OE1-CE 3.34Å; E178-K182 IonicContact OE1-NZ 2.61Å; E178-K182 PolarHBondContact OE1-NZ 3.44Å; I180-K182 VanDerWaalsContact C-N 3.26Å; I180-K182 PolarHBondContact O-N 3.46Å
183T97.1Very high96Very high109 Ų10950.4 Ų50.467%0.66927%0.265SS*.THydrogen-bonded Turntrans-98.4-3.2176.466.10000114.3I180 H181I180-T183 WeakPolarHBondContact O-CA 3.35Å; I180-T183 WeakPolarHBondContact O-CB 3.41Å; I180-T183 PolarHBondContact O-N 3.07Å; I180-T183 PolarHBondContact O-OG1 3.39Å; H181-T183 PolarHBondContact O-N 2.8Å
184L96.5Very high96Very high19 Ų1951.4 Ų51.410%0.09927%0.27CS..  trans-97.55.7-179.9-57.9-177.8000113.3A140 Y141 Q144 I180 H181 G186 Q187A140-L184 HydrophobicContact CB-CD1 4.02Å; Y141-L184 HydrophobicContact CD1-CD1 3.67Å; Y141-L184 HydrophobicContact CD1-CD2 4.29Å; Y141-L184 HydrophobicContact CE1-CD1 3.99Å; Y141-L184 HydrophobicContact CE1-CD2 3.77Å; Q144-L184 HydrophobicContact CB-CB 4.37Å; Q144-L184 HydrophobicContact CB-CD1 3.95Å; Q144-L184 HydrophobicContact CG-CB 4Å; Q144-L184 HydrophobicContact CG-CD1 4.37Å; Q144-L184 PolarHBondContact NE2-O 2.77Å; I180-L184 HydrophobicContact CG2-CG 4.49Å; I180-L184 PolarHBondContact O-N 3.22Å; H181-L184 PolarHBondContact O-N 3.34Å; L184-G186 PolarHBondContact O-N 2.96Å; L184-Q187 WeakPolarHBondContact O-CB 3.03Å; L184-Q187 PolarHBondContact O-N 3.27Å
185M95.4Very high96.1Very high108 Ų10851.8 Ų51.853%0.53227%0.272SS..THydrogen-bonded Turntrans-57.9134-177.9-64.4-178.570.600112.2D149 Y150 Q187D149-M185 HydrophobicContact CB-CG 4.45Å; D149-M185 WeakPolarHBondContact OD1-CA 3.17Å; Y150-M185 WeakPolarHBondContact O-CE 3.29Å; M185-Q187 VanDerWaalsContact C-N 3.35Å
186G93.9Very high96.2Very high66 Ų6646.8 Ų46.868%0.6825%0.249SC*.THydrogen-bonded Turntrans88.3-6.5-17200000114.2D149 L184D149-G186 VanDerWaalsContact CG-N 3.26Å; D149-G186 PolarHBondContact OD1-N 2.71Å; D149-G186 PolarHBondContact OD2-N 3.27Å; L184-G186 PolarHBondContact O-N 2.96Å
187Q96.2Very high96.3Very high24 Ų2446 Ų4611%0.11224%0.243CC..  trans-82.1123.7178.3-174169.33200111.9Q144 L184 M185 E191 A192 N195Q144-Q187 HydrophobicContact CG-CB 4.19Å; Q144-Q187 PolarHBondContact NE2-O 2.98Å; L184-Q187 WeakPolarHBondContact O-CB 3.03Å; L184-Q187 PolarHBondContact O-N 3.27Å; M185-Q187 VanDerWaalsContact C-N 3.35Å; Q187-E191 HydrophobicContact CG-CB 4.01Å; Q187-E191 HydrophobicContact CG-CG 4.45Å; Q187-E191 VanDerWaalsContact NE2-C 3.26Å; Q187-E191 PolarHBondContact NE2-O 3.41Å; Q187-A192 HydrophobicContact CG-CB 4.41Å; Q187-N195 PolarHBondContact NE2-ND2 3.11Å
188A94.6Very high96.2Very high43 Ų4351.4 Ų51.436%0.35526%0.263SS..  trans-69.9148.1176.600000112.6W190 E191 A192A188-W190 VanDerWaalsContact C-N 3.33Å; A188-W190 HydrophobicContact CB-CG 4.5Å; A188-W190 PolarHBondContact O-N 3.28Å; A188-E191 WeakPolarHBondContact O-CA 3.3Å; A188-E191 WeakPolarHBondContact O-CB 3.32Å; A188-E191 PolarHBondContact O-N 3.17Å; A188-A192 PolarHBondContact O-N 3.33Å
189S94.3Very high96.3Very high34 Ų3451.2 Ų51.224%0.23826%0.264CS..Hα-helixtrans-53.4-44.4-176.4-54.30000113.7S145 E191 A192 E193S145-S189 WeakPolarHBondContact O-CB 3.37Å; S145-S189 PolarHBondContact O-OG 3.18Å; S189-E191 PolarHBondContact O-N 3.04Å; S189-A192 PolarHBondContact O-N 2.69Å; S189-E193 VanDerWaalsContact C-OE1 3.27Å; S189-E193 WeakPolarHBondContact CB-OE1 3.26Å; S189-E193 WeakPolarHBondContact O-CB 3.39Å; S189-E193 VanDerWaalsContact O-CG 3.26Å; S189-E193 WeakPolarHBondContact O-CG 3.4Å; S189-E193 PolarHBondContact O-N 3.04Å; S189-E193 VanDerWaalsContact O-OE1 3.04Å
190W92.8Very high96.3Very high122 Ų12244.2 Ų44.246%0.46224%0.237SC..Hα-helixtrans-61.3-29.5177.868.1-99.9000113.1E109 A188 L194E109-W190 HydrophobicContact CG-CB 4.34Å; A188-W190 VanDerWaalsContact C-N 3.33Å; A188-W190 HydrophobicContact CB-CG 4.5Å; A188-W190 PolarHBondContact O-N 3.28Å; W190-L194 HydrophobicContact CZ3-CD2 4.41Å; W190-L194 WeakPolarHBondContact O-CB 3.2Å; W190-L194 PolarHBondContact O-N 2.97Å
191E95.6Very high96.1Very high75 Ų7545 Ų4535%0.3524%0.239SC..Hα-helixtrans-82.5-36.3178.1-159.1-166.2172.300110.9Q187 A188 S189 E193 L194 N195Q187-E191 HydrophobicContact CG-CB 4.01Å; Q187-E191 HydrophobicContact CG-CG 4.45Å; Q187-E191 VanDerWaalsContact NE2-C 3.26Å; Q187-E191 PolarHBondContact NE2-O 3.41Å; A188-E191 WeakPolarHBondContact O-CA 3.3Å; A188-E191 WeakPolarHBondContact O-CB 3.32Å; A188-E191 PolarHBondContact O-N 3.17Å; S189-E191 PolarHBondContact O-N 3.04Å; E191-E193 VanDerWaalsContact C-N 3.35Å; E191-L194 PolarHBondContact O-N 3.29Å; E191-N195 WeakPolarHBondContact O-CB 3.47Å; E191-N195 VanDerWaalsContact O-CG 3.31Å; E191-N195 PolarHBondContact O-N 3.05Å; E191-N195 PolarHBondContact O-OD1 3.3Å
192A97.1Very high95.9Very high0 Ų049.5 Ų49.50%027%0.271CS..Hα-helixtrans-61.7-43.6170.800000111Q144 Q187 A188 S189 L194 N195 Y196Q144-A192 HydrophobicContact CB-CB 3.97Å; Q144-A192 HydrophobicContact CG-CB 3.92Å; Q187-A192 HydrophobicContact CG-CB 4.41Å; A188-A192 PolarHBondContact O-N 3.33Å; S189-A192 PolarHBondContact O-N 2.69Å; A192-L194 PolarHBondContact O-N 2.96Å; A192-N195 PolarHBondContact O-N 2.97Å; A192-Y196 WeakPolarHBondContact O-CB 3.28Å; A192-Y196 PolarHBondContact O-N 3.26Å
193E96.3Very high95.8Very high4 Ų446.5 Ų46.52%0.01926%0.259CS..Hα-helixtrans-60.2-42.1171.8-70.3147.2-144.300112.3Y113 F116 S145 S189 E191 Y196 L197 R346Y113-E193 HydrophobicContact CD2-CG 4.34Å; Y113-E193 WeakPolarHBondContact CD2-OE2 3.42Å; F116-E193 HydrophobicContact CB-CB 4.3Å; F116-E193 HydrophobicContact CB-CG 4.37Å; F116-E193 HydrophobicContact CD1-CG 3.85Å; F116-E193 HydrophobicContact CD2-CB 4.36Å; F116-E193 HydrophobicContact CD2-CG 4.12Å; F116-E193 HydrophobicContact CE1-CG 4.09Å; F116-E193 HydrophobicContact CE2-CG 4.36Å; F116-E193 HydrophobicContact CG-CB 4.2Å; F116-E193 HydrophobicContact CG-CG 3.85Å; F116-E193 HydrophobicContact CZ-CG 4.34Å; S145-E193 WeakPolarHBondContact OG-CG 3.22Å; S145-E193 PolarHBondContact OG-OE1 2.81Å; S189-E193 VanDerWaalsContact C-OE1 3.27Å; S189-E193 WeakPolarHBondContact CB-OE1 3.26Å; S189-E193 WeakPolarHBondContact O-CB 3.39Å; S189-E193 VanDerWaalsContact O-CG 3.26Å; S189-E193 WeakPolarHBondContact O-CG 3.4Å; S189-E193 PolarHBondContact O-N 3.04Å; S189-E193 VanDerWaalsContact O-OE1 3.04Å; E191-E193 VanDerWaalsContact C-N 3.35Å; E193-Y196 WeakPolarHBondContact O-CB 3.28Å; E193-Y196 PolarHBondContact O-N 3.46Å; E193-L197 WeakPolarHBondContact O-CG 3.36Å; E193-L197 PolarHBondContact O-N 2.71Å; E193-R346 IonicContact OE1-CZ 3.01Å; E193-R346 IonicContact OE1-NE 3.55Å; E193-R346 PolarHBondContact OE1-NE 3.45Å; E193-R346 IonicContact OE1-NH2 2.73Å; E193-R346 PolarHBondContact OE1-NH2 2.98Å; E193-R346 IonicContact OE2-CZ 3.27Å; E193-R346 IonicContact OE2-NE 3.18Å; E193-R346 IonicContact OE2-NH2 2.72Å; E193-R346 PolarHBondContact OE2-NH2 3.1Å
194L95.9Very high95.5Very high32 Ų3246.2 Ų46.217%0.16825%0.25CC..Hα-helixtrans-66.4-37.8176.3-173.266.8000112.1C104 W190 E191 A192 R198C104-L194 HydrophobicContact CB-CD1 3.86Å; W190-L194 HydrophobicContact CZ3-CD2 4.41Å; W190-L194 WeakPolarHBondContact O-CB 3.2Å; W190-L194 PolarHBondContact O-N 2.97Å; E191-L194 PolarHBondContact O-N 3.29Å; A192-L194 PolarHBondContact O-N 2.96Å; L194-R198 WeakPolarHBondContact O-CB 3.46Å; L194-R198 PolarHBondContact O-N 3.46Å
195N97.6Very high95.3Very high19 Ų1946.4 Ų46.410%0.10225%0.25CS..Hα-helixtrans-68.6-43.6175.1-75.64.7000111.3Y141 Q187 E191 A192 L197 R198 T199Y141-N195 HydrophobicContact CD1-CB 3.89Å; Y141-N195 HydrophobicContact CD2-CB 4.21Å; Y141-N195 HydrophobicContact CE1-CB 3.65Å; Y141-N195 HydrophobicContact CE2-CB 3.96Å; Y141-N195 HydrophobicContact CG-CB 4.2Å; Q187-N195 PolarHBondContact NE2-ND2 3.11Å; E191-N195 WeakPolarHBondContact O-CB 3.47Å; E191-N195 VanDerWaalsContact O-CG 3.31Å; E191-N195 PolarHBondContact O-N 3.05Å; E191-N195 PolarHBondContact O-OD1 3.3Å; A192-N195 PolarHBondContact O-N 2.97Å; N195-L197 VanDerWaalsContact C-N 3.32Å; N195-L197 PolarHBondContact O-N 3.18Å; N195-R198 PolarHBondContact O-N 3.36Å; N195-R198 VanDerWaalsContact O-N 3.17Å; N195-R198 VanDerWaalsContact OD1-CZ 3.31Å; N195-R198 PolarHBondContact OD1-NH1 3.33Å; N195-R198 PolarHBondContact OD1-NH2 2.83Å; N195-R198 VanDerWaalsContact OD1-NH2 3.13Å; N195-T199 PolarHBondContact O-N 3.22Å; N195-T199 PolarHBondContact O-OG1 3.06Å
196Y98.3Very high95.3Very high6 Ų642.2 Ų42.22%0.02423%0.229CC..Hα-helixtrans-51.9-51.7171.8-172-71.5000110.6F116 V119 K120 L138 A142 A192 E193 R198 T199 A200F116-Y196 AromaticContact CD2-CD1 3.79Å; F116-Y196 HydrophobicContact CD2-CD1 3.79Å; F116-Y196 HydrophobicContact CD2-CD2 4.05Å; F116-Y196 HydrophobicContact CD2-CE1 4.35Å; F116-Y196 AromaticContact CD2-CG 3.67Å; F116-Y196 HydrophobicContact CD2-CG 3.67Å; F116-Y196 HydrophobicContact CE2-CD1 4.25Å; F116-Y196 AromaticContact CE2-CD2 3.68Å; F116-Y196 HydrophobicContact CE2-CD2 3.68Å; F116-Y196 HydrophobicContact CE2-CE2 4.11Å; F116-Y196 AromaticContact CE2-CG 3.79Å; F116-Y196 HydrophobicContact CE2-CG 3.79Å; V119-Y196 HydrophobicContact CB-CE1 4.3Å; V119-Y196 HydrophobicContact CG1-CE1 3.94Å; K120-Y196 WeakPolarHBondContact CA-OH 3.45Å; L138-Y196 HydrophobicContact CB-CD2 4.03Å; L138-Y196 HydrophobicContact CB-CE2 3.58Å; L138-Y196 HydrophobicContact CD2-CD1 3.9Å; L138-Y196 HydrophobicContact CD2-CD2 3.8Å; L138-Y196 HydrophobicContact CD2-CE1 3.98Å; L138-Y196 HydrophobicContact CD2-CE2 3.92Å; L138-Y196 HydrophobicContact CD2-CG 3.76Å; L138-Y196 WeakPolarHBondContact CD2-O 3.28Å; L138-Y196 HydrophobicContact CG-CE2 4.25Å; L138-Y196 WeakPolarHBondContact O-CD2 3.18Å; L138-Y196 WeakPolarHBondContact O-CE2 3.49Å; A142-Y196 HydrophobicContact CB-CD2 4.41Å; A142-Y196 HydrophobicContact CB-CE2 4.24Å; A192-Y196 WeakPolarHBondContact O-CB 3.28Å; A192-Y196 PolarHBondContact O-N 3.26Å; E193-Y196 WeakPolarHBondContact O-CB 3.28Å; E193-Y196 PolarHBondContact O-N 3.46Å; Y196-R198 PolarHBondContact O-N 2.93Å; Y196-T199 PolarHBondContact O-N 3.15Å; Y196-A200 HydrophobicContact CD1-CB 4.43Å; Y196-A200 HydrophobicContact CE1-CB 4.36Å; Y196-A200 VanDerWaalsContact O-CB 3.3Å; Y196-A200 WeakPolarHBondContact O-CB 3.37Å; Y196-A200 PolarHBondContact O-N 2.55Å
197L97.6Very high95.2Very high0 Ų039.4 Ų39.40%020%0.199CC..Hα-helixtrans-64.9-38.1178.5-73.6169.6000113.2P103 R112 F115 F116 V119 E193 N195 T199 K201P103-L197 HydrophobicContact CB-CB 4.43Å; P103-L197 HydrophobicContact CB-CD1 4.34Å; P103-L197 HydrophobicContact CB-CD2 4.11Å; P103-L197 HydrophobicContact CG-CB 4.05Å; P103-L197 HydrophobicContact CG-CD2 4.1Å; R112-L197 HydrophobicContact CB-CD1 4.34Å; R112-L197 WeakPolarHBondContact O-CD1 3.43Å; F115-L197 HydrophobicContact CB-CD1 4.25Å; F115-L197 HydrophobicContact CB-CD2 4.08Å; F116-L197 HydrophobicContact CB-CD1 4.3Å; F116-L197 HydrophobicContact CB-CG 4.36Å; V119-L197 HydrophobicContact CG2-CD2 4.23Å; E193-L197 WeakPolarHBondContact O-CG 3.36Å; E193-L197 PolarHBondContact O-N 2.71Å; N195-L197 VanDerWaalsContact C-N 3.32Å; N195-L197 PolarHBondContact O-N 3.18Å; L197-T199 VanDerWaalsContact C-N 3.32Å; L197-T199 PolarHBondContact O-N 2.88Å; L197-K201 WeakPolarHBondContact O-CB 3.42Å; L197-K201 WeakPolarHBondContact O-CG 2.96Å; L197-K201 PolarHBondContact O-N 3.12Å; L197-K201 VanDerWaalsContact O-N 3.08Å
198R97.1Very high95.1Very high113 Ų11338.5 Ų38.543%0.42620%0.195SC..Hα-helixtrans-65.7-35.4177.2-163.1-174.4-53115.98.6112.1L194 N195 Y196 K201L194-R198 WeakPolarHBondContact O-CB 3.46Å; L194-R198 PolarHBondContact O-N 3.46Å; N195-R198 PolarHBondContact O-N 3.36Å; N195-R198 VanDerWaalsContact O-N 3.17Å; N195-R198 VanDerWaalsContact OD1-CZ 3.31Å; N195-R198 PolarHBondContact OD1-NH1 3.33Å; N195-R198 PolarHBondContact OD1-NH2 2.83Å; N195-R198 VanDerWaalsContact OD1-NH2 3.13Å; Y196-R198 PolarHBondContact O-N 2.93Å; R198-K201 WeakPolarHBondContact O-CG 3.41Å
199T97.3Very high94.9Very high25 Ų2538.7 Ų38.715%0.15319%0.191CC..Hα-helixtrans-74.7-51.4174.8-63.90000110.8I134 L138 N195 Y196 L197 K201 S202I134-T199 HydrophobicContact CG2-CG2 3.75Å; L138-T199 HydrophobicContact CD2-CG2 3.95Å; L138-T199 HydrophobicContact CG-CG2 4.34Å; N195-T199 PolarHBondContact O-N 3.22Å; N195-T199 PolarHBondContact O-OG1 3.06Å; Y196-T199 PolarHBondContact O-N 3.15Å; L197-T199 VanDerWaalsContact C-N 3.32Å; L197-T199 PolarHBondContact O-N 2.88Å; T199-K201 VanDerWaalsContact C-N 3.33Å; T199-K201 PolarHBondContact O-N 2.98Å; T199-S202 PolarHBondContact O-N 3Å; T199-S202 VanDerWaalsContact O-N 3.1Å; T199-S202 PolarHBondContact O-OG 3.03Å
200A96.5Very high94.8Very high0 Ų039.7 Ų39.70%019%0.193CC..Hα-helixtrans-62.1-34.2-17500000113.7V119 L128 L138 Y196 S202 L203V119-A200 HydrophobicContact CG1-CB 3.7Å; L128-A200 HydrophobicContact CD2-CB 4.5Å; L138-A200 HydrophobicContact CD2-CB 4.22Å; Y196-A200 HydrophobicContact CD1-CB 4.43Å; Y196-A200 HydrophobicContact CE1-CB 4.36Å; Y196-A200 VanDerWaalsContact O-CB 3.3Å; Y196-A200 WeakPolarHBondContact O-CB 3.37Å; Y196-A200 PolarHBondContact O-N 2.55Å; A200-S202 PolarHBondContact O-N 3.21Å; A200-S202 VanDerWaalsContact O-N 3.13Å; A200-L203 WeakPolarHBondContact O-CB 3.14Å; A200-L203 PolarHBondContact O-N 3.18Å
201K94.6Very high94.7Very high61 Ų6134.8 Ų34.827%0.26518%0.175SC..THydrogen-bonded Turntrans-65.5-11.9177.174.5177.9-177.8-1770114.8D102 P103 L197 R198 T199 Y206D102-K201 IonicContact OD1-NZ 2.64Å; D102-K201 PolarHBondContact OD1-NZ 3.13Å; D102-K201 IonicContact OD2-NZ 3.98Å; D102-K201 PolarHBondContact OD2-NZ 3.3Å; P103-K201 HydrophobicContact CG-CB 4.37Å; P103-K201 HydrophobicContact CG-CD 4.5Å; L197-K201 WeakPolarHBondContact O-CB 3.42Å; L197-K201 WeakPolarHBondContact O-CG 2.96Å; L197-K201 PolarHBondContact O-N 3.12Å; L197-K201 VanDerWaalsContact O-N 3.08Å; R198-K201 WeakPolarHBondContact O-CG 3.41Å; T199-K201 VanDerWaalsContact C-N 3.33Å; T199-K201 PolarHBondContact O-N 2.98Å; K201-Y206 HydrophobicContact CB-CD1 4.21Å; K201-Y206 HydrophobicContact CB-CE1 4.22Å; K201-Y206 HydrophobicContact CB-CG 4.4Å
202S93.9Very high94.6Very high94 Ų9433.9 Ų33.966%0.65718%0.176SC*.THydrogen-bonded Turntrans-86.5-1117771.40000113.7T199 A200T199-S202 PolarHBondContact O-N 3Å; T199-S202 VanDerWaalsContact O-N 3.1Å; T199-S202 PolarHBondContact O-OG 3.03Å; A200-S202 PolarHBondContact O-N 3.21Å; A200-S202 VanDerWaalsContact O-N 3.13Å
203L93.7Very high94.5Very high23 Ų2333.9 Ų33.912%0.1218%0.176CC..SBendtrans-75.9135.8178.7-64.3169.6000111.3L128 C130 I134 A200 M205 Y206L128-L203 HydrophobicContact CD1-CB 3.74Å; L128-L203 HydrophobicContact CD1-CD1 3.93Å; L128-L203 HydrophobicContact CD2-CD1 4.11Å; L128-L203 HydrophobicContact CG-CD1 3.85Å; C130-L203 WeakPolarHBondContact SG-CD1 3.49Å; I134-L203 HydrophobicContact CG2-CD1 4.44Å; I134-L203 HydrophobicContact CG2-CD2 4.26Å; A200-L203 WeakPolarHBondContact O-CB 3.14Å; A200-L203 PolarHBondContact O-N 3.18Å; L203-M205 PolarHBondContact O-N 2.91Å; L203-M205 VanDerWaalsContact O-N 3.07Å; L203-Y206 VanDerWaalsContact O-CB 3.26Å; L203-Y206 WeakPolarHBondContact O-CB 3.4Å; L203-Y206 PolarHBondContact O-N 2.83Å
204E90.4Very high94.4Very high102 Ų10237.6 Ų37.648%0.47719%0.19SC..THydrogen-bonded Turntrans-55-31.5-175.6-174.5175.8-174.900113.8Y233 Q238E204-Y233 HydrophobicContact CG-CE1 4.32Å; E204-Y233 PolarHBondContact O-OH 3.01Å; E204-Q238 VanDerWaalsContact OE1-CB 3.28Å; E204-Q238 WeakPolarHBondContact OE1-CB 3.06Å
205M92.7Very high94.1Very high24 Ų2436.7 Ų36.712%0.11819%0.188CC..THydrogen-bonded Turntrans-90.32.4-178.8-66.5-54.6-52.700114.5L128 P129 L203 G207 V208 L210 Y233L128-M205 HydrophobicContact CD1-CB 3.78Å; P129-M205 HydrophobicContact CG-CG 4.41Å; L203-M205 PolarHBondContact O-N 2.91Å; L203-M205 VanDerWaalsContact O-N 3.07Å; M205-G207 PolarHBondContact O-N 3.25Å; M205-V208 HydrophobicContact CE-CB 3.84Å; M205-V208 HydrophobicContact CE-CG1 3.91Å; M205-V208 HydrophobicContact CE-CG2 4.25Å; M205-V208 WeakPolarHBondContact O-CG2 3.5Å; M205-V208 PolarHBondContact O-N 3.43Å; M205-L210 HydrophobicContact CE-CD1 3.63Å; M205-L210 HydrophobicContact CE-CD2 4.09Å; M205-L210 HydrophobicContact CE-CG 3.88Å; M205-Y233 HydrophobicContact SD-CE1 4.24Å
206Y95Very high93.4Very high20 Ų2042.2 Ų42.28%0.07821%0.213CC..THydrogen-bonded Turntrans-61.5123.8-178.3176.3-97.2000112.2Y99 A100 P103 V119 L128 K201 L203 V208Y99-Y206 HydrophobicContact CD1-CE2 4.29Å; A100-Y206 WeakPolarHBondContact O-CE1 3.44Å; P103-Y206 WeakPolarHBondContact CG-OH 3.39Å; V119-Y206 HydrophobicContact CG1-CE2 4.46Å; V119-Y206 HydrophobicContact CG2-CE2 3.8Å; L128-Y206 HydrophobicContact CD2-CD2 4.38Å; K201-Y206 HydrophobicContact CB-CD1 4.21Å; K201-Y206 HydrophobicContact CB-CE1 4.22Å; K201-Y206 HydrophobicContact CB-CG 4.4Å; L203-Y206 VanDerWaalsContact O-CB 3.26Å; L203-Y206 WeakPolarHBondContact O-CB 3.4Å; L203-Y206 PolarHBondContact O-N 2.83Å; Y206-V208 PolarHBondContact O-N 2.61Å
207G92.1Very high92.7Very high6 Ų648.9 Ų48.96%0.06225%0.25CC..THydrogen-bonded Turntrans63.218.2178.100000115.1M205M205-G207 PolarHBondContact O-N 3.25Å
208V93.1Very high92.1Very high5 Ų557.2 Ų57.23%0.0329%0.286CS..  trans-82.6130.1179.9-175.30000110.9R127 M205 Y206 L210 L225 T226 Y233R127-V208 PolarHBondContact NH2-O 2.89Å; M205-V208 HydrophobicContact CE-CB 3.84Å; M205-V208 HydrophobicContact CE-CG1 3.91Å; M205-V208 HydrophobicContact CE-CG2 4.25Å; M205-V208 WeakPolarHBondContact O-CG2 3.5Å; M205-V208 PolarHBondContact O-N 3.43Å; Y206-V208 PolarHBondContact O-N 2.61Å; V208-L210 HydrophobicContact CG1-CD2 3.67Å; V208-L210 HydrophobicContact CG1-CG 3.95Å; V208-L225 WeakPolarHBondContact CA-O 3.14Å; V208-T226 HydrophobicContact CG2-CG2 3.95Å; V208-Y233 HydrophobicContact CG1-CE2 4.37Å
209D91.6Very high91.8Very high48 Ų4853.8 Ų53.826%0.25728%0.279SS..EExtended strand (participates in β ladder)trans-105.6104.2169.1178.836.1000108.9H211 G224 L225D209-H211 VanDerWaalsContact CG-NE2 3.27Å; D209-H211 PolarHBondContact O-CD2 3.3Å; D209-H211 IonicContact OD1-NE2 3.59Å; D209-H211 PolarHBondContact OD1-NE2 2.75Å; D209-H211 IonicContact OD2-CD2 3.75Å; D209-H211 IonicContact OD2-CE1 2.65Å; D209-H211 IonicContact OD2-NE2 3.16Å; D209-H211 PolarHBondContact OD2-NE2 2.76Å; D209-G224 CarbonylContact O-C 3.58Å; D209-G224 WeakPolarHBondContact O-CA 3.31Å; D209-L225 HydrophobicContact CB-CB 4.25Å; D209-L225 PolarHBondContact N-O 2.96Å; D209-L225 PolarHBondContact O-N 2.94Å
210L91.8Very high91.6Very high54 Ų5457.2 Ų57.228%0.28329%0.294SS..EExtended strand (participates in β ladder)trans-89.8123.9-171.6-72.7178.6000112.6M205 V208 F222 Y233 L423M205-L210 HydrophobicContact CE-CD1 3.63Å; M205-L210 HydrophobicContact CE-CD2 4.09Å; M205-L210 HydrophobicContact CE-CG 3.88Å; V208-L210 HydrophobicContact CG1-CD2 3.67Å; V208-L210 HydrophobicContact CG1-CG 3.95Å; L210-F222 HydrophobicContact CD2-CB 4.09Å; L210-Y233 HydrophobicContact CD2-CD2 3.83Å; L210-Y233 HydrophobicContact CD2-CE2 3.89Å; L210-L423 HydrophobicContact CD1-CD1 3.73Å; L210-L423 HydrophobicContact CD1-CG 4.07Å; L210-L423 HydrophobicContact CD2-CD1 4.42Å
211H91.7Very high91.5Very high20 Ų2058.9 Ų58.99%0.09330%0.3CS..EExtended strand (participates in β ladder)trans-114.6118.8173.9-64.6-94.8000110.7D209 F222 L223 H283 L284D209-H211 VanDerWaalsContact CG-NE2 3.27Å; D209-H211 PolarHBondContact O-CD2 3.3Å; D209-H211 IonicContact OD1-NE2 3.59Å; D209-H211 PolarHBondContact OD1-NE2 2.75Å; D209-H211 IonicContact OD2-CD2 3.75Å; D209-H211 IonicContact OD2-CE1 2.65Å; D209-H211 IonicContact OD2-NE2 3.16Å; D209-H211 PolarHBondContact OD2-NE2 2.76Å; H211-F222 WeakPolarHBondContact O-CA 3.26Å; H211-L223 PolarHBondContact N-O 2.88Å; H211-L223 PolarHBondContact O-N 2.97Å; H211-H283 AromaticContact CE1-CD2 3.56Å; H211-H283 AromaticContact CE1-NE2 3.75Å; H211-H283 AromaticContact ND1-CD2 3.97Å; H211-L284 HydrophobicContact CB-CB 4.43Å; H211-L284 HydrophobicContact CB-CD1 3.9Å; H211-L284 HydrophobicContact CB-CD2 4.37Å; H211-L284 HydrophobicContact CB-CG 4.44Å
212P92.4Very high91.6Very high55 Ų5558 Ų5836%0.35730%0.297SS..EExtended strand (participates in β ladder)trans-72132176.528.3-33.3000111.6F222P212-F222 HydrophobicContact CB-CD1 4Å; P212-F222 HydrophobicContact CB-CE1 3.77Å; P212-F222 HydrophobicContact CB-CZ 4.46Å
213V94.4Very high91.6Very high1 Ų153.6 Ų53.61%0.00627%0.265CS..EExtended strand (participates in β ladder)trans-144.6166.2179-60.20000111.1Y221 L223 F273 E274 A275 L284V213-Y221 PolarHBondContact N-O 2.83Å; V213-Y221 PolarHBondContact O-N 3.02Å; V213-L223 HydrophobicContact CG1-CD1 4.07Å; V213-L223 HydrophobicContact CG2-CD1 3.92Å; V213-L223 HydrophobicContact CG2-CG 3.8Å; V213-F273 HydrophobicContact CB-CB 4.03Å; V213-F273 HydrophobicContact CG1-CB 4.45Å; V213-F273 HydrophobicContact CG2-CB 3.87Å; V213-F273 HydrophobicContact CG2-CD1 3.72Å; V213-F273 HydrophobicContact CG2-CG 4.05Å; V213-E274 CarbonylContact C-O 3.49Å; V213-E274 WeakPolarHBondContact CA-O 3.5Å; V213-A275 HydrophobicContact CG1-CB 4.28Å; V213-L284 HydrophobicContact CG1-CD2 3.97Å
214Y94.6Very high91.7Very high82 Ų8252.5 Ų52.532%0.32226%0.26SS..EExtended strand (participates in β ladder)trans-112.9141.9175.6-54.5-73000110S219 E220 F273 E274Y214-S219 CarbonylContact C-O 3.54Å; Y214-S219 WeakPolarHBondContact CA-O 3.48Å; Y214-E220 HydrophobicContact CD1-CB 4.31Å; Y214-E220 HydrophobicContact CE1-CB 4.2Å; Y214-E220 HydrophobicContact CE1-CG 4.26Å; Y214-F273 CarbonylContact O-C 3.13Å; Y214-F273 WeakPolarHBondContact O-CA 3.2Å; Y214-E274 WeakPolarHBondContact CD2-O 3.27Å; Y214-E274 PolarHBondContact N-O 3Å; Y214-E274 PolarHBondContact O-N 2.69Å
215G90.7Very high91.8Very high12 Ų1247.7 Ų47.712%0.12424%0.237CC..  trans-83175.8166.900000111.5N217 K218 S219G215-N217 PolarHBondContact O-N 2.93Å; G215-N217 VanDerWaalsContact O-N 3.14Å; G215-K218 WeakPolarHBondContact O-CA 3.37Å; G215-K218 PolarHBondContact O-N 3.44Å; G215-S219 PolarHBondContact N-O 3.11Å
216E81.5Confident91.9Very high135 Ų13547 Ų4763%0.63123%0.234SC*.THydrogen-bonded Turntrans-51.8-40.1-176.6-63.5170.5168.100113.1K218E216-K218 PolarHBondContact O-N 3.41Å; E216-K218 VanDerWaalsContact O-N 3.14Å
217N83.5Confident91.5Very high147 Ų14746.6 Ų46.679%0.78623%0.234SC*.THydrogen-bonded Turntrans-82.323.4176.8-62.6-2.9000113.8G215 S219G215-N217 PolarHBondContact O-N 2.93Å; G215-N217 VanDerWaalsContact O-N 3.14Å; N217-S219 PolarHBondContact O-N 3.28Å
218K85.8Confident91.4Very high174 Ų17448 Ų4876%0.75724%0.241SC*.SBendtrans5313.3-172.9-59.9-177.1179.5178.90115.7G215 E216G215-K218 WeakPolarHBondContact O-CA 3.37Å; G215-K218 PolarHBondContact O-N 3.44Å; E216-K218 PolarHBondContact O-N 3.41Å; E216-K218 VanDerWaalsContact O-N 3.14Å
219S90.4Very high91.4Very high41 Ų4147.8 Ų47.829%0.28724%0.241SC..  trans-65.1134.3172.5-61.40000109.9Y214 G215 N217 Y221Y214-S219 CarbonylContact C-O 3.54Å; Y214-S219 WeakPolarHBondContact CA-O 3.48Å; G215-S219 PolarHBondContact N-O 3.11Å; N217-S219 PolarHBondContact O-N 3.28Å; S219-Y221 WeakPolarHBondContact O-CD2 3.46Å
220E93.5Very high91.5Very high98 Ų9845.5 Ų45.546%0.45823%0.228SC..EExtended strand (participates in β ladder)trans-71.7138.8175.1-171.4170.9-122.400111.7Y214 F222Y214-E220 HydrophobicContact CD1-CB 4.31Å; Y214-E220 HydrophobicContact CE1-CB 4.2Å; Y214-E220 HydrophobicContact CE1-CG 4.26Å; E220-F222 HydrophobicContact CG-CE2 3.84Å; E220-F222 HydrophobicContact CG-CZ 4.24Å
221Y94.9Very high91.7Very high35 Ų3543.1 Ų43.114%0.13722%0.216CC..EExtended strand (participates in β ladder)trans-139.3159.6173.3-65.9-92.8000109.2V213 S219 V232 Y233 K234 V239V213-Y221 PolarHBondContact N-O 2.83Å; V213-Y221 PolarHBondContact O-N 3.02Å; S219-Y221 WeakPolarHBondContact O-CD2 3.46Å; Y221-V232 HydrophobicContact CD1-CG1 4.03Å; Y221-Y233 CarbonylContact C-O 3.6Å; Y221-Y233 VanDerWaalsContact CA-O 3.27Å; Y221-Y233 WeakPolarHBondContact CA-O 3.34Å; Y221-K234 HydrophobicContact CD1-CB 3.74Å; Y221-K234 HydrophobicContact CD1-CD 4.23Å; Y221-K234 HydrophobicContact CD1-CG 3.88Å; Y221-K234 HydrophobicContact CE1-CB 3.78Å; Y221-K234 HydrophobicContact CE1-CD 3.5Å; Y221-K234 VanDerWaalsContact CE1-CD 3.5Å; Y221-K234 HydrophobicContact CE1-CG 3.68Å; Y221-K234 PolarHBondContact OH-NZ 3.16Å; Y221-V239 HydrophobicContact CD1-CG2 4.4Å; Y221-V239 HydrophobicContact CE1-CG2 4.36Å
222F95.1Very high91.8Very high43 Ų4342.5 Ų42.519%0.18921%0.213CC..EExtended strand (participates in β ladder)trans-122.6128.1171.2-61.8-105.3000109.4L210 H211 P212 E220 Y233 L423L210-F222 HydrophobicContact CD2-CB 4.09Å; H211-F222 WeakPolarHBondContact O-CA 3.26Å; P212-F222 HydrophobicContact CB-CD1 4Å; P212-F222 HydrophobicContact CB-CE1 3.77Å; P212-F222 HydrophobicContact CB-CZ 4.46Å; E220-F222 HydrophobicContact CG-CE2 3.84Å; E220-F222 HydrophobicContact CG-CZ 4.24Å; F222-Y233 PolarHBondContact N-O 2.94Å; F222-Y233 PolarHBondContact O-N 2.8Å; F222-L423 HydrophobicContact CD2-CD2 3.75Å; F222-L423 HydrophobicContact CE2-CD2 3.76Å; F222-L423 HydrophobicContact CG-CD2 4.18Å; F222-L423 HydrophobicContact CZ-CD2 4.16Å
223L95.3Very high91.9Very high0 Ų040.1 Ų40.10%020%0.197CC..EExtended strand (participates in β ladder)trans-94.2108.6174.1-66175.9000108.7H211 V213 V230 V231 V232 F257 F273 L284H211-L223 PolarHBondContact N-O 2.88Å; H211-L223 PolarHBondContact O-N 2.97Å; V213-L223 HydrophobicContact CG1-CD1 4.07Å; V213-L223 HydrophobicContact CG2-CD1 3.92Å; V213-L223 HydrophobicContact CG2-CG 3.8Å; L223-V230 HydrophobicContact CD2-CG1 4.24Å; L223-V231 CarbonylContact C-O 3.59Å; L223-V231 WeakPolarHBondContact CA-O 3.37Å; L223-V232 HydrophobicContact CD2-CB 4.33Å; L223-V232 HydrophobicContact CD2-CG1 4.11Å; L223-V232 HydrophobicContact CD2-CG2 3.76Å; L223-F257 HydrophobicContact CD1-CD1 3.83Å; L223-F257 HydrophobicContact CD1-CE1 3.79Å; L223-F273 HydrophobicContact CD1-CB 4.43Å; L223-F273 HydrophobicContact CD1-CD2 4.01Å; L223-F273 HydrophobicContact CD1-CE2 4.37Å; L223-F273 HydrophobicContact CD1-CG 4.08Å; L223-F273 HydrophobicContact CD2-CD1 4.49Å; L223-F273 HydrophobicContact CD2-CD2 4.49Å; L223-F273 HydrophobicContact CD2-CE1 4.1Å; L223-F273 HydrophobicContact CD2-CE2 4.09Å; L223-F273 HydrophobicContact CD2-CZ 3.88Å; L223-L284 HydrophobicContact CD1-CD2 3.86Å
224G95Very high91.8Very high0 Ų043 Ų430%021%0.21CC..EExtended strand (participates in β ladder)trans-87.1114.117300000110.7D209 V230 V231D209-G224 CarbonylContact O-C 3.58Å; D209-G224 WeakPolarHBondContact O-CA 3.31Å; G224-V230 WeakPolarHBondContact O-CA 3.27Å; G224-V231 PolarHBondContact N-O 2.86Å; G224-V231 PolarHBondContact O-N 2.63Å
225L93.8Very high91.5Very high1 Ų145.6 Ų45.61%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-79135.2166-48.8-179.5000108.4V208 D209 V230 W244 L284 C287 S288V208-L225 WeakPolarHBondContact CA-O 3.14Å; D209-L225 HydrophobicContact CB-CB 4.25Å; D209-L225 PolarHBondContact N-O 2.96Å; D209-L225 PolarHBondContact O-N 2.94Å; L225-V230 HydrophobicContact CD2-CG1 4.47Å; L225-V230 HydrophobicContact CD2-CG2 3.95Å; L225-W244 HydrophobicContact CD2-CH2 4.36Å; L225-L284 HydrophobicContact CD1-CD1 4.46Å; L225-L284 HydrophobicContact CD2-CD1 4.19Å; L225-C287 HydrophobicContact CD1-CB 3.43Å; L225-C287 VanDerWaalsContact CD1-CB 3.43Å; L225-S288 WeakPolarHBondContact CD2-OG 3.42Å
226T92.9Very high91.2Very high10 Ų1048.4 Ų48.46%0.06124%0.238CC..  trans-137.5167.2-175.7740000110.7V208 V228 G229 V231 W244V208-T226 HydrophobicContact CG2-CG2 3.95Å; T226-V228 PolarHBondContact O-N 2.7Å; T226-V228 PolarHBondContact OG1-N 2.98Å; T226-G229 WeakPolarHBondContact CB-O 3.28Å; T226-G229 PolarHBondContact N-O 3.31Å; T226-G229 PolarHBondContact OG1-N 2.92Å; T226-G229 PolarHBondContact OG1-O 2.87Å; T226-V231 HydrophobicContact CG2-CB 4.39Å; T226-V231 HydrophobicContact CG2-CG2 3.68Å; T226-W244 PolarHBondContact O-NE1 2.99Å
227P87.9Confident91.5Very high12 Ų1249.3 Ų49.38%0.07824%0.24CC..SBendtrans-58.5-29.8175.1-25.636.8000113.6Y99 E101 W244 F295Y99-P227 WeakPolarHBondContact O-CB 3.43Å; Y99-P227 WeakPolarHBondContact O-CG 3.46Å; E101-P227 HydrophobicContact CB-CB 4.09Å; P227-W244 PolarHBondContact O-NE1 2.92Å; P227-F295 HydrophobicContact CB-CD1 4.39Å; P227-F295 HydrophobicContact CB-CE1 3.8Å; P227-F295 HydrophobicContact CB-CE2 4.3Å; P227-F295 HydrophobicContact CB-CZ 3.76Å; P227-F295 HydrophobicContact CG-CZ 4.3Å; P227-F295 WeakPolarHBondContact O-CD2 3.39Å; P227-F295 WeakPolarHBondContact O-CG 3.45Å
228V89.4Confident92Very high35 Ų3546.2 Ų46.221%0.21222%0.221CC..SBendtrans-95.3-27.9-171.9178.90000113E101 T226 F243 W244E101-V228 HydrophobicContact CB-CG2 4.39Å; E101-V228 HydrophobicContact CG-CG2 3.73Å; E101-V228 WeakPolarHBondContact OE1-CG2 3.47Å; T226-V228 PolarHBondContact O-N 2.7Å; T226-V228 PolarHBondContact OG1-N 2.98Å; V228-F243 HydrophobicContact CG1-CD1 3.39Å; V228-F243 HydrophobicContact CG1-CE1 3.54Å; V228-F243 WeakPolarHBondContact O-CA 3.17Å; V228-W244 PolarHBondContact O-N 2.86Å
229G92.3Very high92.3Very high1 Ų141.2 Ų41.21%0.0121%0.205CC..EExtended strand (participates in β ladder)trans172.7-161.4-175.700000114.4T226 Y242T226-G229 WeakPolarHBondContact CB-O 3.28Å; T226-G229 PolarHBondContact N-O 3.31Å; T226-G229 PolarHBondContact OG1-N 2.92Å; T226-G229 PolarHBondContact OG1-O 2.87Å; G229-Y242 CarbonylContact C-O 3.5Å; G229-Y242 WeakPolarHBondContact CA-O 3.25Å
230V94.8Very high92.4Very high0 Ų040 Ų400%020%0.198CC..EExtended strand (participates in β ladder)trans-99129.3169.3-177.50000109.5L223 G224 L225 Y242 W244 I247 L259L223-V230 HydrophobicContact CD2-CG1 4.24Å; G224-V230 WeakPolarHBondContact O-CA 3.27Å; L225-V230 HydrophobicContact CD2-CG1 4.47Å; L225-V230 HydrophobicContact CD2-CG2 3.95Å; V230-Y242 PolarHBondContact N-O 3.34Å; V230-Y242 PolarHBondContact O-N 2.84Å; V230-W244 HydrophobicContact CG2-CH2 3.53Å; V230-W244 HydrophobicContact CG2-CZ2 4.38Å; V230-W244 HydrophobicContact CG2-CZ3 3.65Å; V230-I247 HydrophobicContact CB-CD1 4.24Å; V230-I247 HydrophobicContact CG2-CD1 3.77Å; V230-L259 HydrophobicContact CB-CD2 4.17Å; V230-L259 HydrophobicContact CG1-CD2 4.09Å; V230-L259 HydrophobicContact CG2-CD1 4.45Å; V230-L259 HydrophobicContact CG2-CD2 4.44Å
231V94.9Very high92.4Very high4 Ų440.2 Ų40.22%0.02420%0.198CC..EExtended strand (participates in β ladder)trans-105.3143.7172.8-177.50000108.8L223 G224 T226 Y233 Q238 G240 K241L223-V231 CarbonylContact C-O 3.59Å; L223-V231 WeakPolarHBondContact CA-O 3.37Å; G224-V231 PolarHBondContact N-O 2.86Å; G224-V231 PolarHBondContact O-N 2.63Å; T226-V231 HydrophobicContact CG2-CB 4.39Å; T226-V231 HydrophobicContact CG2-CG2 3.68Å; V231-Y233 HydrophobicContact CB-CE2 3.97Å; V231-Y233 HydrophobicContact CG1-CD2 4.08Å; V231-Y233 HydrophobicContact CG1-CE1 4.21Å; V231-Y233 HydrophobicContact CG1-CE2 3.47Å; V231-Y233 VanDerWaalsContact CG1-CE2 3.47Å; V231-Q238 HydrophobicContact CG1-CB 4.44Å; V231-Q238 HydrophobicContact CG1-CG 3.73Å; V231-Q238 VanDerWaalsContact CG1-OE1 3.25Å; V231-G240 WeakPolarHBondContact CA-O 3.39Å; V231-K241 HydrophobicContact CG2-CD 4.29Å; V231-K241 HydrophobicContact CG2-CG 4.14Å
232V94.8Very high92.3Very high6 Ų640.9 Ų40.94%0.03620%0.201CC..EExtended strand (participates in β ladder)trans-116.7125177.2-169.40000108.8Y221 L223 V239 G240 Y242 F273Y221-V232 HydrophobicContact CD1-CG1 4.03Å; L223-V232 HydrophobicContact CD2-CB 4.33Å; L223-V232 HydrophobicContact CD2-CG1 4.11Å; L223-V232 HydrophobicContact CD2-CG2 3.76Å; V232-V239 HydrophobicContact CB-CG2 4.11Å; V232-V239 HydrophobicContact CG1-CG2 3.85Å; V232-V239 WeakPolarHBondContact O-CG2 3.39Å; V232-V239 PolarHBondContact O-N 2.87Å; V232-G240 PolarHBondContact N-O 3.29Å; V232-G240 PolarHBondContact O-N 3.38Å; V232-Y242 HydrophobicContact CG2-CD2 4.19Å; V232-Y242 HydrophobicContact CG2-CE2 3.74Å; V232-F273 HydrophobicContact CG1-CE1 4.3Å; V232-F273 HydrophobicContact CG1-CZ 4.44Å; V232-F273 HydrophobicContact CG2-CZ 4.47Å
233Y94.1Very high92.1Very high5 Ų543.1 Ų43.12%0.0221%0.21CC..EExtended strand (participates in β ladder)trans-110.6142.8175.5-61.1-90.2000111.1E204 M205 V208 L210 Y221 F222 V231 K237 Q238 L423E204-Y233 HydrophobicContact CG-CE1 4.32Å; E204-Y233 PolarHBondContact O-OH 3.01Å; M205-Y233 HydrophobicContact SD-CE1 4.24Å; V208-Y233 HydrophobicContact CG1-CE2 4.37Å; L210-Y233 HydrophobicContact CD2-CD2 3.83Å; L210-Y233 HydrophobicContact CD2-CE2 3.89Å; Y221-Y233 CarbonylContact C-O 3.6Å; Y221-Y233 VanDerWaalsContact CA-O 3.27Å; Y221-Y233 WeakPolarHBondContact CA-O 3.34Å; F222-Y233 PolarHBondContact N-O 2.94Å; F222-Y233 PolarHBondContact O-N 2.8Å; V231-Y233 HydrophobicContact CB-CE2 3.97Å; V231-Y233 HydrophobicContact CG1-CD2 4.08Å; V231-Y233 HydrophobicContact CG1-CE1 4.21Å; V231-Y233 HydrophobicContact CG1-CE2 3.47Å; V231-Y233 VanDerWaalsContact CG1-CE2 3.47Å; Y233-K237 CarbonylContact C-O 3.51Å; Y233-K237 VanDerWaalsContact CA-O 3.27Å; Y233-K237 WeakPolarHBondContact CA-O 3.42Å; Y233-Q238 HydrophobicContact CD1-CB 4.15Å; Y233-Q238 HydrophobicContact CE1-CB 3.99Å; Y233-L423 HydrophobicContact CG-CD1 4.41Å
234K93.1Very high91.9Very high62 Ų6243.3 Ų43.327%0.2721%0.211SC..EExtended strand (participates in β ladder)trans-135.7135.6168.6-163.6-174.3-166.5163.90108.6Y221 K236 K237 V239Y221-K234 HydrophobicContact CD1-CB 3.74Å; Y221-K234 HydrophobicContact CD1-CD 4.23Å; Y221-K234 HydrophobicContact CD1-CG 3.88Å; Y221-K234 HydrophobicContact CE1-CB 3.78Å; Y221-K234 HydrophobicContact CE1-CD 3.5Å; Y221-K234 VanDerWaalsContact CE1-CD 3.5Å; Y221-K234 HydrophobicContact CE1-CG 3.68Å; Y221-K234 PolarHBondContact OH-NZ 3.16Å; K234-K236 VanDerWaalsContact C-N 3.26Å; K234-K236 PolarHBondContact O-N 2.82Å; K234-K237 PolarHBondContact N-O 3.43Å; K234-K237 PolarHBondContact O-N 2.91Å; K234-K237 VanDerWaalsContact O-O 3.11Å; K234-V239 HydrophobicContact CB-CG1 3.79Å; K234-V239 HydrophobicContact CB-CG2 4.03Å
235N87.7Confident91.6Very high136 Ų13647.4 Ų47.473%0.72724%0.238SC*.THydrogen-bonded Turntrans48.246177.6-583.6000113.2K237N235-K237 PolarHBondContact O-N 2.89Å
236K84.2Confident91.4Very high71 Ų7152.7 Ų52.731%0.30926%0.258SS..THydrogen-bonded Turntrans62.615.1-176.3-38.2179.2-170.6-127.70115.8K234 L423 Y424K234-K236 VanDerWaalsContact C-N 3.26Å; K234-K236 PolarHBondContact O-N 2.82Å; K236-L423 WeakPolarHBondContact CD-O 3.36Å; K236-L423 WeakPolarHBondContact CE-O 3.37Å; K236-L423 WeakPolarHBondContact CG-O 3.45Å; K236-L423 PolarHBondContact NZ-O 2.91Å; K236-Y424 HydrophobicContact CB-CE1 4.28Å; K236-Y424 HydrophobicContact CD-CD1 4.28Å; K236-Y424 HydrophobicContact CD-CE1 4.46Å; K236-Y424 PolarHBondContact NZ-O 3.09Å; K236-Y424 PolarHBondContact O-OH 2.89Å
237K89.1Confident91.2Very high154 Ų15452.2 Ų52.267%0.6726%0.255SS*.EExtended strand (participates in β ladder)trans-121.2139.7176.5-61.8-171.5176.7-172.90111.4Y233 K234 N235 V239Y233-K237 CarbonylContact C-O 3.51Å; Y233-K237 VanDerWaalsContact CA-O 3.27Å; Y233-K237 WeakPolarHBondContact CA-O 3.42Å; K234-K237 PolarHBondContact N-O 3.43Å; K234-K237 PolarHBondContact O-N 2.91Å; K234-K237 VanDerWaalsContact O-O 3.11Å; N235-K237 PolarHBondContact O-N 2.89Å; K237-V239 PolarHBondContact O-N 2.86Å
238Q92.7Very high91.2Very high83 Ų8354 Ų5439%0.38827%0.266SS..EExtended strand (participates in β ladder)trans-63.2126.2168.6177.5-179.2-112.400110E204 V231 Y233E204-Q238 VanDerWaalsContact OE1-CB 3.28Å; E204-Q238 WeakPolarHBondContact OE1-CB 3.06Å; V231-Q238 HydrophobicContact CG1-CB 4.44Å; V231-Q238 HydrophobicContact CG1-CG 3.73Å; V231-Q238 VanDerWaalsContact CG1-OE1 3.25Å; Y233-Q238 HydrophobicContact CD1-CB 4.15Å; Y233-Q238 HydrophobicContact CE1-CB 3.99Å
239V92.5Very high91.2Very high69 Ų6955.9 Ų55.942%0.41827%0.271SS..EExtended strand (participates in β ladder)trans-117.6-5.7177.9-64.50000113.4Y221 V232 K234 K237Y221-V239 HydrophobicContact CD1-CG2 4.4Å; Y221-V239 HydrophobicContact CE1-CG2 4.36Å; V232-V239 HydrophobicContact CB-CG2 4.11Å; V232-V239 HydrophobicContact CG1-CG2 3.85Å; V232-V239 WeakPolarHBondContact O-CG2 3.39Å; V232-V239 PolarHBondContact O-N 2.87Å; K234-V239 HydrophobicContact CB-CG1 3.79Å; K234-V239 HydrophobicContact CB-CG2 4.03Å; K237-V239 PolarHBondContact O-N 2.86Å
240G91.6Very high91.1Very high15 Ų1556.2 Ų56.216%0.15527%0.273CS..EExtended strand (participates in β ladder)trans-169.2152.2174.900000112.9V231 V232V231-G240 WeakPolarHBondContact CA-O 3.39Å; V232-G240 PolarHBondContact N-O 3.29Å; V232-G240 PolarHBondContact O-N 3.38Å
241K93.7Very high90.9Very high102 Ų10259 Ų5944%0.44329%0.285SS..EExtended strand (participates in β ladder)trans-144.6119.6179.1-176.4163.4-175.9167.70110.7V231V231-K241 HydrophobicContact CG2-CD 4.29Å; V231-K241 HydrophobicContact CG2-CG 4.14Å
242Y93.1Very high90.8Very high50 Ų5059.9 Ų59.920%0.19629%0.289CS..EExtended strand (participates in β ladder)trans-122.8103.2-170.9-55.5-56.4000110.8G229 V230 V232 I247 L259 V261 F271G229-Y242 CarbonylContact C-O 3.5Å; G229-Y242 WeakPolarHBondContact CA-O 3.25Å; V230-Y242 PolarHBondContact N-O 3.34Å; V230-Y242 PolarHBondContact O-N 2.84Å; V232-Y242 HydrophobicContact CG2-CD2 4.19Å; V232-Y242 HydrophobicContact CG2-CE2 3.74Å; Y242-I247 VanDerWaalsContact O-CD1 3.28Å; Y242-I247 WeakPolarHBondContact O-CD1 3.49Å; Y242-L259 HydrophobicContact CD2-CD2 3.82Å; Y242-L259 HydrophobicContact CE2-CD2 4.43Å; Y242-V261 HydrophobicContact CD1-CB 4.44Å; Y242-V261 HydrophobicContact CD1-CG1 3.95Å; Y242-V261 HydrophobicContact CD1-CG2 4.03Å; Y242-V261 HydrophobicContact CD2-CG2 4.33Å; Y242-V261 HydrophobicContact CG-CG1 4.37Å; Y242-V261 HydrophobicContact CG-CG2 3.89Å; Y242-F271 AromaticContact CE1-CE2 3.88Å; Y242-F271 HydrophobicContact CE1-CE2 3.88Å; Y242-F271 HydrophobicContact CE1-CZ 4.02Å; Y242-F271 HydrophobicContact CE2-CD2 4.26Å; Y242-F271 HydrophobicContact CE2-CE2 4.13Å; Y242-F271 HydrophobicContact CE2-CZ 4.49Å; Y242-F271 AromaticContact CZ-CE2 3.6Å; Y242-F271 AromaticContact CZ-CZ 3.65Å; Y242-F271 WeakPolarHBondContact OH-CE1 3.4Å; Y242-F271 WeakPolarHBondContact OH-CZ 3.48Å
243F91.4Very high90.7Very high89 Ų8965.9 Ų65.939%0.3932%0.315SS..EExtended strand (participates in β ladder)trans-64.3141.3-177.2-62-97000112.6V228 P245 R246 I247V228-F243 HydrophobicContact CG1-CD1 3.39Å; V228-F243 HydrophobicContact CG1-CE1 3.54Å; V228-F243 WeakPolarHBondContact O-CA 3.17Å; F243-P245 VanDerWaalsContact C-CD 3.42Å; F243-P245 VanDerWaalsContact C-N 3.32Å; F243-P245 VanDerWaalsContact O-N 3.15Å; F243-R246 PolarHBondContact O-N 2.87Å; F243-I247 PolarHBondContact O-N 2.79Å
244W91.4Very high90.5Very high4 Ų470.9 Ų70.92%0.01534%0.338CS..THydrogen-bonded Turntrans-51.4-37.2-177.9-68.1127.3000115.5L225 T226 P227 V228 V230 R246 I247 H291 H292 F295 R296L225-W244 HydrophobicContact CD2-CH2 4.36Å; T226-W244 PolarHBondContact O-NE1 2.99Å; P227-W244 PolarHBondContact O-NE1 2.92Å; V228-W244 PolarHBondContact O-N 2.86Å; V230-W244 HydrophobicContact CG2-CH2 3.53Å; V230-W244 HydrophobicContact CG2-CZ2 4.38Å; V230-W244 HydrophobicContact CG2-CZ3 3.65Å; W244-R246 VanDerWaalsContact C-N 3.33Å; W244-R246 PolarHBondContact O-N 3.23Å; W244-I247 HydrophobicContact CE3-CD1 3.59Å; W244-I247 HydrophobicContact CZ3-CD1 3.77Å; W244-I247 PolarHBondContact O-N 3.44Å; W244-H291 HydrophobicContact CH2-CB 3.9Å; W244-H291 HydrophobicContact CZ2-CB 3.44Å; W244-H291 VanDerWaalsContact CZ2-CB 3.44Å; W244-H292 HydrophobicContact CD2-CB 4.39Å; W244-H292 HydrophobicContact CE3-CB 3.73Å; W244-H292 AromaticContact CE3-CD2 3.65Å; W244-H292 AromaticContact CE3-CG 4Å; W244-H292 HydrophobicContact CZ3-CB 3.86Å; W244-F295 AromaticContact NE1-CD2 3.89Å; W244-R296 HydrophobicContact CB-CB 4.49Å; W244-R296 PolarHBondContact O-NH1 3.01Å
245P88.3Confident90.5Very high87 Ų8770 Ų7057%0.56534%0.338SS*.THydrogen-bonded Turntrans-63.6-31.1175.2-25.736.8000114.7F243 R296F243-P245 VanDerWaalsContact C-CD 3.42Å; F243-P245 VanDerWaalsContact C-N 3.32Å; F243-P245 VanDerWaalsContact O-N 3.15Å; P245-R296 PolarHBondContact O-NH1 3.05Å; P245-R296 VanDerWaalsContact O-NH1 3.12Å; P245-R296 PolarHBondContact O-NH2 3.39Å
246R88.8Confident90.8Very high112 Ų11267.4 Ų67.442%0.42332%0.322SS..THydrogen-bonded Turntrans-83.9-20.9180-70.9-173.1-179.9149.36.3113.5F243 W244 T248 V261 L262F243-R246 PolarHBondContact O-N 2.87Å; W244-R246 VanDerWaalsContact C-N 3.33Å; W244-R246 PolarHBondContact O-N 3.23Å; R246-T248 PolarHBondContact O-N 2.89Å; R246-T248 VanDerWaalsContact O-N 3.16Å; R246-V261 HydrophobicContact CB-CG1 3.91Å; R246-V261 WeakPolarHBondContact O-CA 3.18Å; R246-L262 PolarHBondContact O-N 3.43Å
247I90.3Very high91.4Very high0 Ų064 Ų640%031%0.307CS..EExtended strand (participates in β ladder)trans-73.2105.5177.7-67.3164.5000109.2V230 Y242 F243 W244 V250 L259 R260 V261 H292 R296V230-I247 HydrophobicContact CB-CD1 4.24Å; V230-I247 HydrophobicContact CG2-CD1 3.77Å; Y242-I247 VanDerWaalsContact O-CD1 3.28Å; Y242-I247 WeakPolarHBondContact O-CD1 3.49Å; F243-I247 PolarHBondContact O-N 2.79Å; W244-I247 HydrophobicContact CE3-CD1 3.59Å; W244-I247 HydrophobicContact CZ3-CD1 3.77Å; W244-I247 PolarHBondContact O-N 3.44Å; I247-V250 HydrophobicContact CG2-CG2 3.53Å; I247-L259 HydrophobicContact CD1-CD1 4.07Å; I247-L259 HydrophobicContact CG1-CD1 4.06Å; I247-L259 HydrophobicContact CG2-CD1 3.65Å; I247-R260 CarbonylContact C-O 3.59Å; I247-R260 WeakPolarHBondContact CA-O 3.38Å; I247-V261 HydrophobicContact CG1-CG2 4.24Å; I247-H292 PolarHBondContact O-NE2 2.89Å; I247-R296 PolarHBondContact O-NH1 3.49Å
248T87.8Confident91.6Very high50 Ų5057.4 Ų57.431%0.30728%0.278SS..EExtended strand (participates in β ladder)trans-84.4-33.3-175.456.90000112.7R246 R260 L262 E268R246-T248 PolarHBondContact O-N 2.89Å; R246-T248 VanDerWaalsContact O-N 3.16Å; T248-R260 PolarHBondContact N-O 3.25Å; T248-L262 HydrophobicContact CG2-CB 3.93Å; T248-E268 WeakPolarHBondContact CB-OE1 3.34Å; T248-E268 WeakPolarHBondContact CG2-OE1 3.1Å; T248-E268 PolarHBondContact OG1-OE1 2.91Å
249K88.1Confident91.6Very high73 Ų7353.5 Ų53.532%0.31726%0.26SS..EExtended strand (participates in β ladder)trans-145.9137.8-177.7-172.1-165.7179.6-1570110.4H251 E258 R260K249-H251 HydrophobicContact CD-CB 4.46Å; K249-H251 HydrophobicContact CG-CB 4.4Å; K249-E258 IonicContact NZ-OE1 3.54Å; K249-E258 IonicContact NZ-OE2 3.62Å; K249-E258 PolarHBondContact NZ-OE2 2.74Å; K249-R260 HydrophobicContact CB-CB 3.88Å; K249-R260 PolarHBondContact O-N 3.19Å
250V91.3Very high91.6Very high9 Ų953.5 Ų53.56%0.05525%0.252CS..EExtended strand (participates in β ladder)trans-125.2122.9166.8-167.10000108.2I247 F257 L259 W285I247-V250 HydrophobicContact CG2-CG2 3.53Å; V250-F257 HydrophobicContact CG1-CE2 3.42Å; V250-F257 VanDerWaalsContact CG1-CE2 3.42Å; V250-F257 HydrophobicContact CG1-CZ 3.47Å; V250-F257 VanDerWaalsContact CG1-CZ 3.47Å; V250-L259 HydrophobicContact CG2-CD1 4.06Å; V250-W285 PolarHBondContact O-NE1 3.02Å; V250-W285 VanDerWaalsContact O-NE1 3.13Å
251H90.6Very high91.7Very high57 Ų5753.2 Ų53.226%0.26425%0.248SC..EExtended strand (participates in β ladder)trans-143.8161.2-170.5178.8-101.7000111.1K249 E258K249-H251 HydrophobicContact CD-CB 4.46Å; K249-H251 HydrophobicContact CG-CB 4.4Å; H251-E258 HydrophobicContact CB-CB 4.28Å; H251-E258 IonicContact CG-OE2 2.65Å; H251-E258 PolarHBondContact N-O 3.29Å; H251-E258 IonicContact ND1-OE2 2.58Å; H251-E258 PolarHBondContact O-N 2.98Å
252F92.4Very high91.5Very high24 Ų2451.3 Ų51.311%0.10524%0.242CC..EExtended strand (participates in β ladder)trans-145.7146.6174.182.7-72.7000111.7Q256 C281 K282 W285 Y317F252-Q256 CarbonylContact C-O 3.52Å; F252-Q256 VanDerWaalsContact CA-O 3.23Å; F252-Q256 WeakPolarHBondContact CA-O 3.17Å; F252-C281 HydrophobicContact CD2-CB 4.48Å; F252-K282 HydrophobicContact CD2-CB 4.34Å; F252-K282 HydrophobicContact CE1-CG 4.41Å; F252-K282 HydrophobicContact CE2-CB 3.68Å; F252-K282 HydrophobicContact CE2-CD 4.47Å; F252-K282 HydrophobicContact CE2-CG 4.08Å; F252-K282 HydrophobicContact CZ-CB 3.87Å; F252-K282 HydrophobicContact CZ-CD 4.12Å; F252-K282 HydrophobicContact CZ-CG 3.73Å; F252-W285 HydrophobicContact CB-CB 4.2Å; F252-W285 HydrophobicContact CB-CG 4.38Å; F252-W285 HydrophobicContact CD1-CB 3.79Å; F252-W285 AromaticContact CD1-CD1 3.85Å; F252-W285 AromaticContact CD1-CD2 3.49Å; F252-W285 HydrophobicContact CD1-CD2 3.49Å; F252-W285 VanDerWaalsContact CD1-CD2 3.49Å; F252-W285 AromaticContact CD1-CE3 3.89Å; F252-W285 HydrophobicContact CD1-CE3 3.89Å; F252-W285 AromaticContact CD1-CG 3.41Å; F252-W285 HydrophobicContact CD1-CG 3.41Å; F252-W285 VanDerWaalsContact CD1-CG 3.41Å; F252-W285 HydrophobicContact CE1-CB 4.48Å; F252-W285 AromaticContact CE1-CD2 3.63Å; F252-W285 HydrophobicContact CE1-CD2 3.63Å; F252-W285 AromaticContact CE1-CE3 3.53Å; F252-W285 HydrophobicContact CE1-CE3 3.53Å; F252-W285 HydrophobicContact CE1-CG 4.04Å; F252-W285 HydrophobicContact CE1-CH2 4.48Å; F252-W285 AromaticContact CE1-CZ3 3.98Å; F252-W285 HydrophobicContact CE1-CZ3 3.98Å; F252-W285 HydrophobicContact CG-CB 4.12Å; F252-W285 HydrophobicContact CG-CG 4.18Å; F252-W285 HydrophobicContact CZ-CE3 4.47Å; F252-Y317 HydrophobicContact CZ-CD2 4.33Å
253K92.2Very high91.2Very high131 Ų13150.2 Ų50.257%0.5725%0.246SC*.EExtended strand (participates in β ladder)trans-135.3110.2173.9-176.4-168.2173-164.70107.9T255 Q256K253-T255 PolarHBondContact O-N 2.89Å; K253-T255 VanDerWaalsContact O-N 3.13Å; K253-Q256 PolarHBondContact N-O 2.8Å; K253-Q256 WeakPolarHBondContact O-CB 3.49Å; K253-Q256 PolarHBondContact O-N 3.38Å
254E91.1Very high90.6Very high110 Ų11054.1 Ų54.151%0.51426%0.263SS..THydrogen-bonded Turntrans58.1-109.8-179.4-72.4152.7-162.400112.9K278E254-K278 HydrophobicContact CG-CD 4.28Å; E254-K278 WeakPolarHBondContact O-CA 3.1Å
255T92.9Very high90.2Very high43 Ų4359.9 Ų59.926%0.26429%0.294SS..THydrogen-bonded Turntrans-88.8-19.6173.749.70000112.7K253 E274 A275 C281K253-T255 PolarHBondContact O-N 2.89Å; K253-T255 VanDerWaalsContact O-N 3.13Å; T255-E274 WeakPolarHBondContact CB-OE1 3.11Å; T255-E274 PolarHBondContact OG1-OE1 3.29Å; T255-A275 PolarHBondContact O-N 3.46Å; T255-C281 VanDerWaalsContact C-SG 3.55Å; T255-C281 PolarHBondContact O-SG 2.87Å
256Q94Very high89.8Confident83 Ų8360.6 Ų60.639%0.38830%0.3SS..EExtended strand (participates in β ladder)trans-83.6132.2-174.8-165.2-174.842.800112.4F252 K253 F272 F273 C281F252-Q256 CarbonylContact C-O 3.52Å; F252-Q256 VanDerWaalsContact CA-O 3.23Å; F252-Q256 WeakPolarHBondContact CA-O 3.17Å; K253-Q256 PolarHBondContact N-O 2.8Å; K253-Q256 WeakPolarHBondContact O-CB 3.49Å; K253-Q256 PolarHBondContact O-N 3.38Å; Q256-F272 HydrophobicContact CG-CD1 4.28Å; Q256-F273 CarbonylContact C-O 3.58Å; Q256-F273 WeakPolarHBondContact CA-O 3.25Å; Q256-C281 VanDerWaalsContact C-SG 3.55Å; Q256-C281 PolarHBondContact O-SG 3.14Å
257F95.3Very high89.7Confident0 Ų060.3 Ų60.30%031%0.307CS..EExtended strand (participates in β ladder)trans-109.5129174.8180-107.3000109.2L223 V250 L259 F272 F273 L284 W285L223-F257 HydrophobicContact CD1-CD1 3.83Å; L223-F257 HydrophobicContact CD1-CE1 3.79Å; V250-F257 HydrophobicContact CG1-CE2 3.42Å; V250-F257 VanDerWaalsContact CG1-CE2 3.42Å; V250-F257 HydrophobicContact CG1-CZ 3.47Å; V250-F257 VanDerWaalsContact CG1-CZ 3.47Å; F257-L259 HydrophobicContact CE1-CB 4.03Å; F257-F272 WeakPolarHBondContact O-CA 3.08Å; F257-F273 HydrophobicContact CD1-CD2 4.12Å; F257-F273 PolarHBondContact N-O 3.43Å; F257-F273 PolarHBondContact O-N 3.02Å; F257-L284 HydrophobicContact CB-CD2 4.39Å; F257-L284 HydrophobicContact CD1-CD2 3.96Å; F257-L284 HydrophobicContact CD2-CD2 3.98Å; F257-L284 HydrophobicContact CD2-CG 4.07Å; F257-L284 HydrophobicContact CE1-CD2 4.14Å; F257-L284 HydrophobicContact CE1-CG 4.41Å; F257-L284 HydrophobicContact CE2-CD2 4.16Å; F257-L284 HydrophobicContact CE2-CG 3.85Å; F257-L284 HydrophobicContact CG-CD2 3.87Å; F257-L284 HydrophobicContact CG-CG 4.44Å; F257-L284 HydrophobicContact CZ-CD1 4.28Å; F257-L284 HydrophobicContact CZ-CD2 4.23Å; F257-L284 HydrophobicContact CZ-CG 4.02Å; F257-W285 HydrophobicContact CD2-CB 4.41Å; F257-W285 HydrophobicContact CE2-CB 4.27Å
258E93.9Very high89.7Confident15 Ų1565 Ų657%0.0733%0.329CS..EExtended strand (participates in β ladder)trans-108.6117.2174.2178.6-165.9-171.200108.7K249 H251 R260 S270 F271 F272K249-E258 IonicContact NZ-OE1 3.54Å; K249-E258 IonicContact NZ-OE2 3.62Å; K249-E258 PolarHBondContact NZ-OE2 2.74Å; H251-E258 HydrophobicContact CB-CB 4.28Å; H251-E258 IonicContact CG-OE2 2.65Å; H251-E258 PolarHBondContact N-O 3.29Å; H251-E258 IonicContact ND1-OE2 2.58Å; H251-E258 PolarHBondContact O-N 2.98Å; E258-R260 IonicContact OE1-CZ 3.65Å; E258-R260 IonicContact OE1-NE 3.62Å; E258-R260 PolarHBondContact OE1-NE 3.39Å; E258-R260 IonicContact OE1-NH2 2.67Å; E258-R260 PolarHBondContact OE1-NH2 3.12Å; E258-S270 PolarHBondContact OE1-OG 3.43Å; E258-F271 WeakPolarHBondContact CA-O 3.32Å; E258-F272 HydrophobicContact CB-CD1 4.07Å; E258-F272 HydrophobicContact CB-CE1 3.85Å; E258-F272 HydrophobicContact CG-CD1 4.27Å; E258-F272 HydrophobicContact CG-CE1 3.71Å; E258-F272 HydrophobicContact CG-CZ 4.26Å
259L93.9Very high89.9Confident0 Ų065.8 Ų65.80%033%0.334CS..EExtended strand (participates in β ladder)trans-106.5111.6168.5-179.966.4000108.8V230 Y242 I247 V250 F257 V261 F271V230-L259 HydrophobicContact CB-CD2 4.17Å; V230-L259 HydrophobicContact CG1-CD2 4.09Å; V230-L259 HydrophobicContact CG2-CD1 4.45Å; V230-L259 HydrophobicContact CG2-CD2 4.44Å; Y242-L259 HydrophobicContact CD2-CD2 3.82Å; Y242-L259 HydrophobicContact CE2-CD2 4.43Å; I247-L259 HydrophobicContact CD1-CD1 4.07Å; I247-L259 HydrophobicContact CG1-CD1 4.06Å; I247-L259 HydrophobicContact CG2-CD1 3.65Å; V250-L259 HydrophobicContact CG2-CD1 4.06Å; F257-L259 HydrophobicContact CE1-CB 4.03Å; L259-V261 HydrophobicContact CD2-CG2 4.38Å; L259-V261 HydrophobicContact CG-CG2 4.08Å; L259-F271 PolarHBondContact N-O 2.82Å; L259-F271 PolarHBondContact O-N 2.84Å
260R92.5Very high90.1Very high69 Ų6964 Ų6426%0.2633%0.33SS..EExtended strand (participates in β ladder)trans-100.8130.4176.2-162.6179.3-64.4-155.7-7.1111.6I247 T248 K249 E258 E268 T269 S270I247-R260 CarbonylContact C-O 3.59Å; I247-R260 WeakPolarHBondContact CA-O 3.38Å; T248-R260 PolarHBondContact N-O 3.25Å; K249-R260 HydrophobicContact CB-CB 3.88Å; K249-R260 PolarHBondContact O-N 3.19Å; E258-R260 IonicContact OE1-CZ 3.65Å; E258-R260 IonicContact OE1-NE 3.62Å; E258-R260 PolarHBondContact OE1-NE 3.39Å; E258-R260 IonicContact OE1-NH2 2.67Å; E258-R260 PolarHBondContact OE1-NH2 3.12Å; R260-E268 VanDerWaalsContact CD-OE1 3.3Å; R260-E268 WeakPolarHBondContact CD-OE1 3.46Å; R260-E268 WeakPolarHBondContact CD-OE2 3.29Å; R260-E268 HydrophobicContact CG-CB 4.14Å; R260-E268 IonicContact CZ-OE2 3.44Å; R260-E268 IonicContact NE-OE2 2.83Å; R260-E268 IonicContact NH1-OE2 3.49Å; R260-E268 PolarHBondContact NH1-OE2 3.25Å; R260-T269 WeakPolarHBondContact CA-O 3.29Å; R260-S270 PolarHBondContact NE-OG 3.19Å
261V92.2Very high90.1Very high9 Ų966 Ų666%0.05534%0.338CS..EExtended strand (participates in β ladder)trans-128.9132.6-175.2-167.60000109.7Y242 R246 I247 L259 T269 F271Y242-V261 HydrophobicContact CD1-CB 4.44Å; Y242-V261 HydrophobicContact CD1-CG1 3.95Å; Y242-V261 HydrophobicContact CD1-CG2 4.03Å; Y242-V261 HydrophobicContact CD2-CG2 4.33Å; Y242-V261 HydrophobicContact CG-CG1 4.37Å; Y242-V261 HydrophobicContact CG-CG2 3.89Å; R246-V261 HydrophobicContact CB-CG1 3.91Å; R246-V261 WeakPolarHBondContact O-CA 3.18Å; I247-V261 HydrophobicContact CG1-CG2 4.24Å; L259-V261 HydrophobicContact CD2-CG2 4.38Å; L259-V261 HydrophobicContact CG-CG2 4.08Å; V261-T269 PolarHBondContact N-O 3.05Å; V261-T269 PolarHBondContact O-N 3.01Å; V261-F271 HydrophobicContact CB-CE2 4.21Å; V261-F271 HydrophobicContact CG2-CD2 4.02Å; V261-F271 HydrophobicContact CG2-CE2 3.91Å
262L90.9Very high90.3Very high62 Ų6266.7 Ų66.733%0.32534%0.341SS..EExtended strand (participates in β ladder)trans-77.2121.1169.2-167.568.5000109.4R246 T248 C266 E268R246-L262 PolarHBondContact O-N 3.43Å; T248-L262 HydrophobicContact CG2-CB 3.93Å; L262-C266 VanDerWaalsContact CD1-O 3.22Å; L262-C266 WeakPolarHBondContact CD1-O 3.3Å; L262-E268 HydrophobicContact CD1-CG 4.08Å
263G85.2Confident90.4Very high27 Ų2766.5 Ų66.528%0.27834%0.339SS..  trans-68.5177.8173.300000112.8D265 N267G263-D265 PolarHBondContact O-N 3.39Å; G263-N267 PolarHBondContact N-O 3.41Å
264K80.3Confident90.5Very high172 Ų17264.6 Ų64.675%0.74833%0.333SS*.THydrogen-bonded Turntrans-64.2-36.6170.7-70.2-177.2179178.80110.7C266K264-C266 PolarHBondContact O-N 3.31Å
265D83.2Confident90.6Very high125 Ų12559.6 Ų59.667%0.66831%0.31SS*.THydrogen-bonded Turntrans-83.122.3-171.7-26.1-70.3000112.3G263 N267G263-D265 PolarHBondContact O-N 3.39Å; D265-N267 PolarHBondContact O-N 2.8Å; D265-N267 PolarHBondContact O-ND2 2.9Å
266C79.3Confident90.4Very high102 Ų10265.5 Ų65.569%0.68933%0.328SS*.SBendtrans55.34.2-173.8-62.70000116.7L262 K264L262-C266 VanDerWaalsContact CD1-O 3.22Å; L262-C266 WeakPolarHBondContact CD1-O 3.3Å; K264-C266 PolarHBondContact O-N 3.31Å
267N87.3Confident90.2Very high105 Ų10563.2 Ų63.256%0.56132%0.321SS*.  trans-76137173.3-70.7-52.8000111.5G263 D265G263-N267 PolarHBondContact N-O 3.41Å; D265-N267 PolarHBondContact O-N 2.8Å; D265-N267 PolarHBondContact O-ND2 2.9Å
268E90.3Very high89.9Confident99 Ų9968.2 Ų68.246%0.46334%0.342SS..EExtended strand (participates in β ladder)trans-84.8128.1169.6-67.1-157.5119.600111.5T248 R260 L262T248-E268 WeakPolarHBondContact CB-OE1 3.34Å; T248-E268 WeakPolarHBondContact CG2-OE1 3.1Å; T248-E268 PolarHBondContact OG1-OE1 2.91Å; R260-E268 VanDerWaalsContact CD-OE1 3.3Å; R260-E268 WeakPolarHBondContact CD-OE1 3.46Å; R260-E268 WeakPolarHBondContact CD-OE2 3.29Å; R260-E268 HydrophobicContact CG-CB 4.14Å; R260-E268 IonicContact CZ-OE2 3.44Å; R260-E268 IonicContact NE-OE2 2.83Å; R260-E268 IonicContact NH1-OE2 3.49Å; R260-E268 PolarHBondContact NH1-OE2 3.25Å; L262-E268 HydrophobicContact CD1-CG 4.08Å
269T91.1Very high89.6Confident67 Ų6772.7 Ų72.741%0.41137%0.371SS..EExtended strand (participates in β ladder)trans-110.5123.2170.9-55.90000109.5R260 V261 F271R260-T269 WeakPolarHBondContact CA-O 3.29Å; V261-T269 PolarHBondContact N-O 3.05Å; V261-T269 PolarHBondContact O-N 3.01Å; T269-F271 HydrophobicContact CG2-CD1 4.45Å; T269-F271 HydrophobicContact CG2-CD2 4.34Å; T269-F271 HydrophobicContact CG2-CE1 3.91Å; T269-F271 HydrophobicContact CG2-CE2 3.79Å; T269-F271 HydrophobicContact CG2-CZ 3.54Å
270S92.4Very high89.3Confident34 Ų3473.8 Ų73.824%0.23838%0.38CS..EExtended strand (participates in β ladder)trans-93.1126.5167.7-79.60000110.1E258 R260E258-S270 PolarHBondContact OE1-OG 3.43Å; R260-S270 PolarHBondContact NE-OG 3.19Å
271F92Very high89.2Confident51 Ų5170.5 Ų70.522%0.22437%0.367CS..EExtended strand (participates in β ladder)trans-102133.3169.7-58.8-82.6000109.5Y242 E258 L259 V261 T269 F273Y242-F271 AromaticContact CE1-CE2 3.88Å; Y242-F271 HydrophobicContact CE1-CE2 3.88Å; Y242-F271 HydrophobicContact CE1-CZ 4.02Å; Y242-F271 HydrophobicContact CE2-CD2 4.26Å; Y242-F271 HydrophobicContact CE2-CE2 4.13Å; Y242-F271 HydrophobicContact CE2-CZ 4.49Å; Y242-F271 AromaticContact CZ-CE2 3.6Å; Y242-F271 AromaticContact CZ-CZ 3.65Å; Y242-F271 WeakPolarHBondContact OH-CE1 3.4Å; Y242-F271 WeakPolarHBondContact OH-CZ 3.48Å; E258-F271 WeakPolarHBondContact CA-O 3.32Å; L259-F271 PolarHBondContact N-O 2.82Å; L259-F271 PolarHBondContact O-N 2.84Å; V261-F271 HydrophobicContact CB-CE2 4.21Å; V261-F271 HydrophobicContact CG2-CD2 4.02Å; V261-F271 HydrophobicContact CG2-CE2 3.91Å; T269-F271 HydrophobicContact CG2-CD1 4.45Å; T269-F271 HydrophobicContact CG2-CD2 4.34Å; T269-F271 HydrophobicContact CG2-CE1 3.91Å; T269-F271 HydrophobicContact CG2-CE2 3.79Å; T269-F271 HydrophobicContact CG2-CZ 3.54Å; F271-F273 HydrophobicContact CB-CD2 4.48Å; F271-F273 HydrophobicContact CB-CE2 3.63Å; F271-F273 HydrophobicContact CB-CZ 4.1Å
272F93.4Very high89.1Confident73 Ų7373.2 Ų73.232%0.3238%0.378SS..EExtended strand (participates in β ladder)trans-111.6135.5-179.9-61.7-78.6000111.3Q256 F257 E258Q256-F272 HydrophobicContact CG-CD1 4.28Å; F257-F272 WeakPolarHBondContact O-CA 3.08Å; E258-F272 HydrophobicContact CB-CD1 4.07Å; E258-F272 HydrophobicContact CB-CE1 3.85Å; E258-F272 HydrophobicContact CG-CD1 4.27Å; E258-F272 HydrophobicContact CG-CE1 3.71Å; E258-F272 HydrophobicContact CG-CZ 4.26Å
273F94.6Very high88.9Confident19 Ų1973 Ų738%0.08338%0.376CS..EExtended strand (participates in β ladder)trans-136.9147.9178.4-56.9-88.4000109.7V213 Y214 L223 V232 Q256 F257 F271V213-F273 HydrophobicContact CB-CB 4.03Å; V213-F273 HydrophobicContact CG1-CB 4.45Å; V213-F273 HydrophobicContact CG2-CB 3.87Å; V213-F273 HydrophobicContact CG2-CD1 3.72Å; V213-F273 HydrophobicContact CG2-CG 4.05Å; Y214-F273 CarbonylContact O-C 3.13Å; Y214-F273 WeakPolarHBondContact O-CA 3.2Å; L223-F273 HydrophobicContact CD1-CB 4.43Å; L223-F273 HydrophobicContact CD1-CD2 4.01Å; L223-F273 HydrophobicContact CD1-CE2 4.37Å; L223-F273 HydrophobicContact CD1-CG 4.08Å; L223-F273 HydrophobicContact CD2-CD1 4.49Å; L223-F273 HydrophobicContact CD2-CD2 4.49Å; L223-F273 HydrophobicContact CD2-CE1 4.1Å; L223-F273 HydrophobicContact CD2-CE2 4.09Å; L223-F273 HydrophobicContact CD2-CZ 3.88Å; V232-F273 HydrophobicContact CG1-CE1 4.3Å; V232-F273 HydrophobicContact CG1-CZ 4.44Å; V232-F273 HydrophobicContact CG2-CZ 4.47Å; Q256-F273 CarbonylContact C-O 3.58Å; Q256-F273 WeakPolarHBondContact CA-O 3.25Å; F257-F273 HydrophobicContact CD1-CD2 4.12Å; F257-F273 PolarHBondContact N-O 3.43Å; F257-F273 PolarHBondContact O-N 3.02Å; F271-F273 HydrophobicContact CB-CD2 4.48Å; F271-F273 HydrophobicContact CB-CE2 3.63Å; F271-F273 HydrophobicContact CB-CZ 4.1Å
274E94.7Very high89.2Confident92 Ų9271.9 Ų71.943%0.4336%0.363SS..EExtended strand (participates in β ladder)trans-109.6124.6175.1174.3156.5-129.500110.7V213 Y214 T255V213-E274 CarbonylContact C-O 3.49Å; V213-E274 WeakPolarHBondContact CA-O 3.5Å; Y214-E274 WeakPolarHBondContact CD2-O 3.27Å; Y214-E274 PolarHBondContact N-O 3Å; Y214-E274 PolarHBondContact O-N 2.69Å; T255-E274 WeakPolarHBondContact CB-OE1 3.11Å; T255-E274 PolarHBondContact OG1-OE1 3.29Å
275A92.6Very high89.8Confident4 Ų465.2 Ų65.23%0.03333%0.333CS..EExtended strand (participates in β ladder)trans-94.6152174.900000111.5V213 T255 S277 A280 C281V213-A275 HydrophobicContact CG1-CB 4.28Å; T255-A275 PolarHBondContact O-N 3.46Å; A275-S277 PolarHBondContact O-N 3.28Å; A275-A280 HydrophobicContact CB-CB 4.3Å; A275-C281 HydrophobicContact CB-CB 3.88Å
276R89Confident90.1Very high168 Ų16861.9 Ų61.963%0.63431%0.313SS*.SBendtrans-47.3-22.7-178.869173.7179.9164.9-0.7116.2A280R276-A280 HydrophobicContact CG-CB 3.84Å
277S90Very high90.5Very high35 Ų3557.4 Ų57.425%0.24528%0.283CS..SBendtrans-160.2161.7177.673.40000111.9A275 T279 A280 C281A275-S277 PolarHBondContact O-N 3.28Å; S277-T279 PolarHBondContact O-N 2.94Å; S277-T279 PolarHBondContact OG-N 2.84Å; S277-T279 PolarHBondContact OG-OG1 3.09Å; S277-A280 PolarHBondContact O-N 2.91Å; S277-A280 WeakPolarHBondContact OG-CB 3.34Å; S277-A280 PolarHBondContact OG-N 2.88Å; S277-C281 WeakPolarHBondContact O-CB 3.42Å; S277-C281 PolarHBondContact O-N 3.19Å
278K90.1Very high90.7Very high104 Ų10452.4 Ų52.445%0.45226%0.256SS..Hα-helixtrans-61.5-24.3171.3-175.4167.4-174.5166.20113.6E254 K282E254-K278 HydrophobicContact CG-CD 4.28Å; E254-K278 WeakPolarHBondContact O-CA 3.1Å; K278-K282 VanDerWaalsContact O-CB 3.25Å; K278-K282 WeakPolarHBondContact O-CB 3.23Å; K278-K282 PolarHBondContact O-N 3.34Å
279T86.6Confident90.6Very high110 Ų11048.3 Ų48.368%0.67524%0.238SC*.Hα-helixtrans-77.2-43.1173.548.90000111.6S277 K282 H283S277-T279 PolarHBondContact O-N 2.94Å; S277-T279 PolarHBondContact OG-N 2.84Å; S277-T279 PolarHBondContact OG-OG1 3.09Å; T279-K282 PolarHBondContact O-N 3Å; T279-H283 WeakPolarHBondContact O-CB 3.36Å; T279-H283 PolarHBondContact O-N 2.81Å
280A87Confident90.5Very high22 Ų2246.1 Ų46.118%0.18222%0.223CC..Hα-helixtrans-63.6-47174.300000111.7A275 R276 S277 K282 H283 L284A275-A280 HydrophobicContact CB-CB 4.3Å; R276-A280 HydrophobicContact CG-CB 3.84Å; S277-A280 PolarHBondContact O-N 2.91Å; S277-A280 WeakPolarHBondContact OG-CB 3.34Å; S277-A280 PolarHBondContact OG-N 2.88Å; A280-K282 VanDerWaalsContact C-N 3.34Å; A280-K282 PolarHBondContact O-N 3.11Å; A280-H283 WeakPolarHBondContact O-CB 3.39Å; A280-H283 PolarHBondContact O-N 2.96Å; A280-L284 PolarHBondContact O-N 2.89Å
281C91.8Very high90.3Very high0 Ų045.2 Ų45.20%022%0.215CC..Hα-helixtrans-57.4-45.4177.6-164.30000112.2F252 T255 Q256 A275 S277 H283 W285F252-C281 HydrophobicContact CD2-CB 4.48Å; T255-C281 VanDerWaalsContact C-SG 3.55Å; T255-C281 PolarHBondContact O-SG 2.87Å; Q256-C281 VanDerWaalsContact C-SG 3.55Å; Q256-C281 PolarHBondContact O-SG 3.14Å; A275-C281 HydrophobicContact CB-CB 3.88Å; S277-C281 WeakPolarHBondContact O-CB 3.42Å; S277-C281 PolarHBondContact O-N 3.19Å; C281-H283 VanDerWaalsContact C-N 3.31Å; C281-H283 PolarHBondContact O-N 2.95Å; C281-W285 WeakPolarHBondContact O-CB 3.41Å; C281-W285 PolarHBondContact O-N 2.81Å
282K89.6Confident90Very high66 Ų6643.8 Ų43.829%0.28721%0.209SC..Hα-helixtrans-66.5-29.9175.8-177.5174.8174.7-177.80113.3F252 K278 T279 A280 K286 Y317F252-K282 HydrophobicContact CD2-CB 4.34Å; F252-K282 HydrophobicContact CE1-CG 4.41Å; F252-K282 HydrophobicContact CE2-CB 3.68Å; F252-K282 HydrophobicContact CE2-CD 4.47Å; F252-K282 HydrophobicContact CE2-CG 4.08Å; F252-K282 HydrophobicContact CZ-CB 3.87Å; F252-K282 HydrophobicContact CZ-CD 4.12Å; F252-K282 HydrophobicContact CZ-CG 3.73Å; K278-K282 VanDerWaalsContact O-CB 3.25Å; K278-K282 WeakPolarHBondContact O-CB 3.23Å; K278-K282 PolarHBondContact O-N 3.34Å; T279-K282 PolarHBondContact O-N 3Å; A280-K282 VanDerWaalsContact C-N 3.34Å; A280-K282 PolarHBondContact O-N 3.11Å; K282-K286 WeakPolarHBondContact O-CG 3Å; K282-K286 PolarHBondContact O-N 3.33Å; K282-K286 VanDerWaalsContact O-N 3.1Å; K282-Y317 VanDerWaalsContact NZ-CD1 3.33Å; K282-Y317 VanDerWaalsContact NZ-CE1 3.32Å
283H87.1Confident89.5Confident59 Ų5941.7 Ų41.727%0.27320%0.202SC..Hα-helixtrans-72.7-52.8175.7177.775.8000111H211 T279 A280 C281 W285 K286 C287H211-H283 AromaticContact CE1-CD2 3.56Å; H211-H283 AromaticContact CE1-NE2 3.75Å; H211-H283 AromaticContact ND1-CD2 3.97Å; T279-H283 WeakPolarHBondContact O-CB 3.36Å; T279-H283 PolarHBondContact O-N 2.81Å; A280-H283 WeakPolarHBondContact O-CB 3.39Å; A280-H283 PolarHBondContact O-N 2.96Å; C281-H283 VanDerWaalsContact C-N 3.31Å; C281-H283 PolarHBondContact O-N 2.95Å; H283-W285 VanDerWaalsContact C-N 3.26Å; H283-W285 PolarHBondContact O-N 2.58Å; H283-K286 WeakPolarHBondContact O-CA 3.08Å; H283-K286 WeakPolarHBondContact O-CB 3.16Å; H283-K286 PolarHBondContact O-N 2.89Å; H283-C287 VanDerWaalsContact CE1-SG 3.59Å; H283-C287 PolarHBondContact O-N 2.86Å; H283-C287 PolarHBondContact O-SG 3.49Å; H283-C287 VanDerWaalsContact O-SG 3.38Å
284L90.8Very high89Confident2 Ų240.8 Ų40.81%0.0120%0.198CC..Hα-helixtrans-50.9-45.7171.4165.461.3000111.6H211 V213 L223 L225 F257 A280 C287 S288H211-L284 HydrophobicContact CB-CB 4.43Å; H211-L284 HydrophobicContact CB-CD1 3.9Å; H211-L284 HydrophobicContact CB-CD2 4.37Å; H211-L284 HydrophobicContact CB-CG 4.44Å; V213-L284 HydrophobicContact CG1-CD2 3.97Å; L223-L284 HydrophobicContact CD1-CD2 3.86Å; L225-L284 HydrophobicContact CD1-CD1 4.46Å; L225-L284 HydrophobicContact CD2-CD1 4.19Å; F257-L284 HydrophobicContact CB-CD2 4.39Å; F257-L284 HydrophobicContact CD1-CD2 3.96Å; F257-L284 HydrophobicContact CD2-CD2 3.98Å; F257-L284 HydrophobicContact CD2-CG 4.07Å; F257-L284 HydrophobicContact CE1-CD2 4.14Å; F257-L284 HydrophobicContact CE1-CG 4.41Å; F257-L284 HydrophobicContact CE2-CD2 4.16Å; F257-L284 HydrophobicContact CE2-CG 3.85Å; F257-L284 HydrophobicContact CG-CD2 3.87Å; F257-L284 HydrophobicContact CG-CG 4.44Å; F257-L284 HydrophobicContact CZ-CD1 4.28Å; F257-L284 HydrophobicContact CZ-CD2 4.23Å; F257-L284 HydrophobicContact CZ-CG 4.02Å; A280-L284 PolarHBondContact O-N 2.89Å; L284-C287 PolarHBondContact O-N 2.77Å; L284-S288 VanDerWaalsContact O-CB 3.29Å; L284-S288 WeakPolarHBondContact O-CB 3.37Å; L284-S288 PolarHBondContact O-N 2.9Å; L284-S288 PolarHBondContact O-OG 2.83Å
285W93Very high88.3Confident32 Ų3238.6 Ų38.612%0.12119%0.187CC..Hα-helixtrans-62-43.2176.4172.880000113.3V250 F252 F257 C281 H283 V289 H319V250-W285 PolarHBondContact O-NE1 3.02Å; V250-W285 VanDerWaalsContact O-NE1 3.13Å; F252-W285 HydrophobicContact CB-CB 4.2Å; F252-W285 HydrophobicContact CB-CG 4.38Å; F252-W285 HydrophobicContact CD1-CB 3.79Å; F252-W285 AromaticContact CD1-CD1 3.85Å; F252-W285 AromaticContact CD1-CD2 3.49Å; F252-W285 HydrophobicContact CD1-CD2 3.49Å; F252-W285 VanDerWaalsContact CD1-CD2 3.49Å; F252-W285 AromaticContact CD1-CE3 3.89Å; F252-W285 HydrophobicContact CD1-CE3 3.89Å; F252-W285 AromaticContact CD1-CG 3.41Å; F252-W285 HydrophobicContact CD1-CG 3.41Å; F252-W285 VanDerWaalsContact CD1-CG 3.41Å; F252-W285 HydrophobicContact CE1-CB 4.48Å; F252-W285 AromaticContact CE1-CD2 3.63Å; F252-W285 HydrophobicContact CE1-CD2 3.63Å; F252-W285 AromaticContact CE1-CE3 3.53Å; F252-W285 HydrophobicContact CE1-CE3 3.53Å; F252-W285 HydrophobicContact CE1-CG 4.04Å; F252-W285 HydrophobicContact CE1-CH2 4.48Å; F252-W285 AromaticContact CE1-CZ3 3.98Å; F252-W285 HydrophobicContact CE1-CZ3 3.98Å; F252-W285 HydrophobicContact CG-CB 4.12Å; F252-W285 HydrophobicContact CG-CG 4.18Å; F252-W285 HydrophobicContact CZ-CE3 4.47Å; F257-W285 HydrophobicContact CD2-CB 4.41Å; F257-W285 HydrophobicContact CE2-CB 4.27Å; C281-W285 WeakPolarHBondContact O-CB 3.41Å; C281-W285 PolarHBondContact O-N 2.81Å; H283-W285 VanDerWaalsContact C-N 3.26Å; H283-W285 PolarHBondContact O-N 2.58Å; W285-V289 HydrophobicContact CD2-CG2 4.46Å; W285-V289 HydrophobicContact CZ2-CG2 4.34Å; W285-V289 WeakPolarHBondContact O-CB 3.45Å; W285-V289 VanDerWaalsContact O-CG2 3.31Å; W285-V289 WeakPolarHBondContact O-CG2 3.34Å; W285-V289 PolarHBondContact O-N 2.84Å; W285-H319 HydrophobicContact CH2-CB 3.57Å; W285-H319 HydrophobicContact CZ3-CB 3.71Å
286K88.8Confident87.3Confident55 Ų5542.3 Ų42.324%0.23920%0.2CC..Hα-helixtrans-57.9-56172.6-85.6167.4143.5-84.70110.7K282 H283 S288 V289 E290 H319K282-K286 WeakPolarHBondContact O-CG 3Å; K282-K286 PolarHBondContact O-N 3.33Å; K282-K286 VanDerWaalsContact O-N 3.1Å; H283-K286 WeakPolarHBondContact O-CA 3.08Å; H283-K286 WeakPolarHBondContact O-CB 3.16Å; H283-K286 PolarHBondContact O-N 2.89Å; K286-S288 VanDerWaalsContact C-N 3.28Å; K286-S288 PolarHBondContact O-N 2.72Å; K286-V289 PolarHBondContact O-N 3.17Å; K286-V289 VanDerWaalsContact O-N 3.11Å; K286-E290 WeakPolarHBondContact O-CG 3.33Å; K286-E290 PolarHBondContact O-N 3.04Å; K286-H319 PolarHBondContact NZ-CD2 3.39Å; K286-H319 VanDerWaalsContact NZ-CD2 3.34Å; K286-H319 PolarHBondContact NZ-NE2 3.32Å
287C89.3Confident85.6Confident8 Ų834.8 Ų34.85%0.05417%0.172CC..Hα-helixtrans-58.3-42.2-177.1-62.40000111.2L225 H283 L284 E290 H291L225-C287 HydrophobicContact CD1-CB 3.43Å; L225-C287 VanDerWaalsContact CD1-CB 3.43Å; H283-C287 VanDerWaalsContact CE1-SG 3.59Å; H283-C287 PolarHBondContact O-N 2.86Å; H283-C287 PolarHBondContact O-SG 3.49Å; H283-C287 VanDerWaalsContact O-SG 3.38Å; L284-C287 PolarHBondContact O-N 2.77Å; C287-E290 PolarHBondContact O-N 2.95Å; C287-H291 PolarHBondContact O-N 2.87Å; C287-H291 PolarHBondContact O-ND1 2.87Å
288S91.2Very high83.6Confident1 Ų136.2 Ų36.21%0.00718%0.181CC..Hα-helixtrans-60.9-45.2175.3-57.90000112.7L225 L284 K286 H292L225-S288 WeakPolarHBondContact CD2-OG 3.42Å; L284-S288 VanDerWaalsContact O-CB 3.29Å; L284-S288 WeakPolarHBondContact O-CB 3.37Å; L284-S288 PolarHBondContact O-N 2.9Å; L284-S288 PolarHBondContact O-OG 2.83Å; K286-S288 VanDerWaalsContact C-N 3.28Å; K286-S288 PolarHBondContact O-N 2.72Å; S288-H292 WeakPolarHBondContact O-CB 3.41Å; S288-H292 PolarHBondContact O-N 3.44Å
289V88.5Confident81.4Confident12 Ų1236.7 Ų36.77%0.07319%0.185CC..Hα-helixtrans-68.7-36178.3168.40000111.6W285 K286 T293 L309W285-V289 HydrophobicContact CD2-CG2 4.46Å; W285-V289 HydrophobicContact CZ2-CG2 4.34Å; W285-V289 WeakPolarHBondContact O-CB 3.45Å; W285-V289 VanDerWaalsContact O-CG2 3.31Å; W285-V289 WeakPolarHBondContact O-CG2 3.34Å; W285-V289 PolarHBondContact O-N 2.84Å; K286-V289 PolarHBondContact O-N 3.17Å; K286-V289 VanDerWaalsContact O-N 3.11Å; V289-T293 WeakPolarHBondContact O-CB 3.37Å; V289-T293 PolarHBondContact O-N 2.94Å; V289-T293 PolarHBondContact O-OG1 2.73Å; V289-L309 HydrophobicContact CG1-CD2 4.45Å; V289-L309 HydrophobicContact CG2-CD2 4.3Å
290E88.6Confident79.2Confident22 Ų2238.7 Ų38.710%0.10319%0.191CC..Hα-helixtrans-65.2-50.4175.3-69.1-177.5-154.600111.5K97 F98 K286 C287 T293 F294 H319 Y321K97-E290 WeakPolarHBondContact CE-OE2 3.45Å; K97-E290 IonicContact NZ-OE2 3.68Å; K97-E290 PolarHBondContact NZ-OE2 2.84Å; F98-E290 HydrophobicContact CE1-CB 4.16Å; F98-E290 HydrophobicContact CZ-CB 4.1Å; K286-E290 WeakPolarHBondContact O-CG 3.33Å; K286-E290 PolarHBondContact O-N 3.04Å; C287-E290 PolarHBondContact O-N 2.95Å; E290-T293 PolarHBondContact O-N 3.34Å; E290-F294 WeakPolarHBondContact O-CB 3.38Å; E290-F294 PolarHBondContact O-N 2.88Å; E290-H319 IonicContact OE1-CE1 3.57Å; E290-H319 PolarHBondContact OE1-CE1 2.91Å; E290-H319 IonicContact OE1-NE2 3.96Å; E290-Y321 HydrophobicContact CB-CD2 4.15Å; E290-Y321 HydrophobicContact CG-CD2 4.07Å
291H87.9Confident77.1Confident14 Ų1441.7 Ų41.77%0.06520%0.201CC..Hα-helixtrans-61.1-48.9176.6-74.272.3000111.8F98 W244 C287 T293 F294 F295F98-H291 AromaticContact CD1-NE2 3.93Å; F98-H291 AromaticContact CE1-ND1 3.84Å; W244-H291 HydrophobicContact CH2-CB 3.9Å; W244-H291 HydrophobicContact CZ2-CB 3.44Å; W244-H291 VanDerWaalsContact CZ2-CB 3.44Å; C287-H291 PolarHBondContact O-N 2.87Å; C287-H291 PolarHBondContact O-ND1 2.87Å; H291-T293 VanDerWaalsContact C-N 3.27Å; H291-T293 PolarHBondContact O-N 2.98Å; H291-F294 PolarHBondContact O-N 3.17Å; H291-F295 HydrophobicContact CB-CD2 4.32Å; H291-F295 HydrophobicContact CB-CE2 4.44Å; H291-F295 AromaticContact CD2-CE2 3.85Å; H291-F295 VanDerWaalsContact O-CD2 3.28Å; H291-F295 WeakPolarHBondContact O-CD2 3.4Å; H291-F295 PolarHBondContact O-N 3.41Å
292H85.2Confident74.9Confident22 Ų2243.1 Ų43.110%0.10221%0.211CC..Hα-helixtrans-55.2-42.4176.6-172.9-74.5000111.5W244 I247 S288 R296W244-H292 HydrophobicContact CD2-CB 4.39Å; W244-H292 HydrophobicContact CE3-CB 3.73Å; W244-H292 AromaticContact CE3-CD2 3.65Å; W244-H292 AromaticContact CE3-CG 4Å; W244-H292 HydrophobicContact CZ3-CB 3.86Å; I247-H292 PolarHBondContact O-NE2 2.89Å; S288-H292 WeakPolarHBondContact O-CB 3.41Å; S288-H292 PolarHBondContact O-N 3.44Å; H292-R296 VanDerWaalsContact CE1-CD 3.47Å; H292-R296 WeakPolarHBondContact CE1-CD 3.23Å; H292-R296 PolarHBondContact NE2-NH1 3.16Å; H292-R296 WeakPolarHBondContact O-CB 3.5Å; H292-R296 PolarHBondContact O-N 2.72Å
293T83.6Confident72.7Confident28 Ų2845.1 Ų45.117%0.17223%0.225CC..Hα-helixtrans-70.1-42.5177.9-52.30000112.4V289 E290 H291 M297 Y321V289-T293 WeakPolarHBondContact O-CB 3.37Å; V289-T293 PolarHBondContact O-N 2.94Å; V289-T293 PolarHBondContact O-OG1 2.73Å; E290-T293 PolarHBondContact O-N 3.34Å; H291-T293 VanDerWaalsContact C-N 3.27Å; H291-T293 PolarHBondContact O-N 2.98Å; T293-M297 HydrophobicContact CG2-CG 4.4Å; T293-M297 WeakPolarHBondContact O-CB 3.37Å; T293-M297 VanDerWaalsContact O-CG 3.29Å; T293-M297 WeakPolarHBondContact O-CG 3.5Å; T293-Y321 HydrophobicContact CG2-CD1 3.8Å; T293-Y321 HydrophobicContact CG2-CG 4.04Å
294F82.9Confident70.6Confident0 Ų043.4 Ų43.40%022%0.22CC..Hα-helixtrans-67.2-45.5-175.7179.7-110.8000113D55 Y56 F98 E290 H291 Y321 R324 T325 A326D55-F294 HydrophobicContact CB-CE2 4Å; Y56-F294 AromaticContact CD1-CE1 3.9Å; Y56-F294 HydrophobicContact CD1-CE1 3.9Å; Y56-F294 AromaticContact CD1-CZ 3.7Å; Y56-F294 HydrophobicContact CD1-CZ 3.7Å; Y56-F294 AromaticContact CE1-CE1 3.81Å; Y56-F294 HydrophobicContact CE1-CE1 3.81Å; Y56-F294 AromaticContact CE1-CZ 3.67Å; Y56-F294 HydrophobicContact CE1-CZ 3.67Å; F98-F294 HydrophobicContact CB-CD1 3.7Å; F98-F294 HydrophobicContact CB-CE1 3.48Å; F98-F294 VanDerWaalsContact CB-CE1 3.48Å; F98-F294 HydrophobicContact CB-CZ 4.21Å; F98-F294 HydrophobicContact CD1-CB 4.47Å; F98-F294 HydrophobicContact CD1-CD1 4.08Å; F98-F294 HydrophobicContact CD1-CG 4.4Å; F98-F294 HydrophobicContact CD2-CD1 4.13Å; F98-F294 HydrophobicContact CD2-CD2 4.38Å; F98-F294 HydrophobicContact CD2-CE1 4.24Å; F98-F294 HydrophobicContact CD2-CE2 4.48Å; F98-F294 HydrophobicContact CD2-CG 4.2Å; F98-F294 HydrophobicContact CD2-CZ 4.4Å; F98-F294 HydrophobicContact CE1-CB 4.44Å; F98-F294 AromaticContact CG-CD1 3.7Å; F98-F294 HydrophobicContact CG-CD1 3.7Å; F98-F294 AromaticContact CG-CE1 3.92Å; F98-F294 HydrophobicContact CG-CE1 3.92Å; F98-F294 HydrophobicContact CG-CG 4.13Å; E290-F294 WeakPolarHBondContact O-CB 3.38Å; E290-F294 PolarHBondContact O-N 2.88Å; H291-F294 PolarHBondContact O-N 3.17Å; F294-Y321 VanDerWaalsContact CD2-OH 3.26Å; F294-Y321 WeakPolarHBondContact CD2-OH 3.31Å; F294-R324 WeakPolarHBondContact CD2-O 3.46Å; F294-T325 WeakPolarHBondContact O-CB 3.28Å; F294-A326 HydrophobicContact CD1-CB 4.41Å; F294-A326 HydrophobicContact CE1-CB 3.95Å; F294-A326 HydrophobicContact CE2-CB 4.17Å; F294-A326 HydrophobicContact CZ-CB 3.82Å; F294-A326 PolarHBondContact O-N 2.96Å
295F80.4Confident68.5Low47 Ų4746.2 Ų46.221%0.20624%0.235CC..Hα-helixtrans-87.9-31.3-174.6-66.4-70.3000114.2F98 Y99 P227 W244 H291F98-F295 HydrophobicContact CB-CE2 4.32Å; F98-F295 HydrophobicContact CB-CZ 3.93Å; F98-F295 HydrophobicContact CD1-CE2 4.25Å; Y99-F295 WeakPolarHBondContact O-CE1 3.36Å; Y99-F295 VanDerWaalsContact O-CZ 3.23Å; Y99-F295 WeakPolarHBondContact O-CZ 3.4Å; P227-F295 HydrophobicContact CB-CD1 4.39Å; P227-F295 HydrophobicContact CB-CE1 3.8Å; P227-F295 HydrophobicContact CB-CE2 4.3Å; P227-F295 HydrophobicContact CB-CZ 3.76Å; P227-F295 HydrophobicContact CG-CZ 4.3Å; P227-F295 WeakPolarHBondContact O-CD2 3.39Å; P227-F295 WeakPolarHBondContact O-CG 3.45Å; W244-F295 AromaticContact NE1-CD2 3.89Å; H291-F295 HydrophobicContact CB-CD2 4.32Å; H291-F295 HydrophobicContact CB-CE2 4.44Å; H291-F295 AromaticContact CD2-CE2 3.85Å; H291-F295 VanDerWaalsContact O-CD2 3.28Å; H291-F295 WeakPolarHBondContact O-CD2 3.4Å; H291-F295 PolarHBondContact O-N 3.41Å
296R71.5Confident66.4Low82 Ų8246.6 Ų46.631%0.30924%0.242SC..Hα-helixtrans-82.3-26.3-170.8-170.9180173.2147.1-1.9114.8W244 P245 I247 H292 P298W244-R296 HydrophobicContact CB-CB 4.49Å; W244-R296 PolarHBondContact O-NH1 3.01Å; P245-R296 PolarHBondContact O-NH1 3.05Å; P245-R296 VanDerWaalsContact O-NH1 3.12Å; P245-R296 PolarHBondContact O-NH2 3.39Å; I247-R296 PolarHBondContact O-NH1 3.49Å; H292-R296 VanDerWaalsContact CE1-CD 3.47Å; H292-R296 WeakPolarHBondContact CE1-CD 3.23Å; H292-R296 PolarHBondContact NE2-NH1 3.16Å; H292-R296 WeakPolarHBondContact O-CB 3.5Å; H292-R296 PolarHBondContact O-N 2.72Å; R296-P298 VanDerWaalsContact O-CD 3.29Å; R296-P298 WeakPolarHBondContact O-CD 3.44Å
297M53.7Low64.5Low9 Ų951.2 Ų51.24%0.04426%0.258CS..  trans-104.8115.6-147-67.3-58.8-61.100115.5T293 E301 L305 T325T293-M297 HydrophobicContact CG2-CG 4.4Å; T293-M297 WeakPolarHBondContact O-CB 3.37Å; T293-M297 VanDerWaalsContact O-CG 3.29Å; T293-M297 WeakPolarHBondContact O-CG 3.5Å; M297-E301 HydrophobicContact CE-CB 3.59Å; M297-E301 WeakPolarHBondContact CE-O 3.49Å; M297-L305 HydrophobicContact CE-CB 4.15Å; M297-L305 HydrophobicContact CE-CD1 3.94Å; M297-L305 HydrophobicContact SD-CD1 4.14Å; M297-T325 HydrophobicContact CB-CG2 3.93Å; M297-T325 PolarHBondContact O-OG1 3.39Å
298P47.8Very low62.7Low65 Ų6555.6 Ų55.642%0.42228%0.276SS..  trans-62.2143157.4-19.732.9000111.8R296 N300 E301 L327R296-P298 VanDerWaalsContact O-CD 3.29Å; R296-P298 WeakPolarHBondContact O-CD 3.44Å; P298-N300 VanDerWaalsContact C-N 3.27Å; P298-N300 PolarHBondContact O-N 3.1Å; P298-E301 PolarHBondContact O-N 3.07Å; P298-L327 HydrophobicContact CB-CD1 4.21Å; P298-L327 HydrophobicContact CB-CD2 4.34Å; P298-L327 HydrophobicContact CG-CD1 4.06Å
299E43.3Very low60.7Low114 Ų11459 Ų5953%0.53329%0.294SS..Hα-helixtrans-36.8-49.5-177.1-170.8-178.8170.700114.7E301 S302E299-E301 PolarHBondContact O-N 3.21Å; E299-S302 WeakPolarHBondContact O-CB 3.23Å; E299-S302 PolarHBondContact O-OG 3.04Å
300N40.7Very low58.7Low152 Ų15259.4 Ų59.481%0.81330%0.298SS*.Hα-helixtrans-70.8-32-168.9-140.14.9000114.2P298P298-N300 VanDerWaalsContact C-N 3.27Å; P298-N300 PolarHBondContact O-N 3.1Å
301E42.9Very low56.7Low85 Ų8566 Ų6640%0.39733%0.326SS..Hα-helixtrans-92.3-9.6-177.5-82.7-66.7122.500113.7M297 P298 E299 N303 S304 L305 K308M297-E301 HydrophobicContact CE-CB 3.59Å; M297-E301 WeakPolarHBondContact CE-O 3.49Å; P298-E301 PolarHBondContact O-N 3.07Å; E299-E301 PolarHBondContact O-N 3.21Å; E301-N303 PolarHBondContact O-N 3.4Å; E301-S304 VanDerWaalsContact CD-OG 3.29Å; E301-S304 CarbonylContact O-C 3.55Å; E301-S304 WeakPolarHBondContact O-CA 3.43Å; E301-S304 WeakPolarHBondContact O-CB 3.38Å; E301-S304 PolarHBondContact O-N 3.38Å; E301-S304 PolarHBondContact OE1-OG 3.39Å; E301-S304 WeakPolarHBondContact OE2-CB 3.37Å; E301-S304 PolarHBondContact OE2-OG 3.4Å; E301-L305 PolarHBondContact O-N 3.5Å; E301-K308 IonicContact OE2-NZ 2.77Å
302S45.8Very low54.7Low30 Ų3074.4 Ų74.421%0.2136%0.363CS..Hα-helixtrans-48.7-54177.560.60000112.2E299 S304 S306E299-S302 WeakPolarHBondContact O-CB 3.23Å; E299-S302 PolarHBondContact O-OG 3.04Å; S302-S304 VanDerWaalsContact C-N 3.31Å; S302-S304 PolarHBondContact O-N 3.15Å; S302-S306 WeakPolarHBondContact O-CB 3.36Å; S302-S306 PolarHBondContact O-N 2.82Å
303N43Very low52.6Low108 Ų10875 Ų7558%0.57837%0.374SS*.Hα-helixtrans-69.9-23.6176.7-79.4-66000113.4E301 R307E301-N303 PolarHBondContact O-N 3.4Å; N303-R307 WeakPolarHBondContact O-CB 3.34Å; N303-R307 WeakPolarHBondContact O-CG 3.27Å; N303-R307 PolarHBondContact O-NE 3.04Å; N303-R307 PolarHBondContact O-NH2 3.32Å
304S43.4Very low50.6Low23 Ų2378.6 Ų78.616%0.16140%0.401CS..Hα-helixtrans-78-56.1178160.80000110.7E301 S302 R307 K308E301-S304 VanDerWaalsContact CD-OG 3.29Å; E301-S304 CarbonylContact O-C 3.55Å; E301-S304 WeakPolarHBondContact O-CA 3.43Å; E301-S304 WeakPolarHBondContact O-CB 3.38Å; E301-S304 PolarHBondContact O-N 3.38Å; E301-S304 PolarHBondContact OE1-OG 3.39Å; E301-S304 WeakPolarHBondContact OE2-CB 3.37Å; E301-S304 PolarHBondContact OE2-OG 3.4Å; S302-S304 VanDerWaalsContact C-N 3.31Å; S302-S304 PolarHBondContact O-N 3.15Å; S304-R307 CarbonylContact O-C 3.51Å; S304-R307 PolarHBondContact O-N 3.3Å; S304-K308 WeakPolarHBondContact O-CG 3.43Å; S304-K308 PolarHBondContact O-N 3.03Å; S304-K308 WeakPolarHBondContact OG-CE 3.46Å; S304-K308 PolarHBondContact OG-NZ 2.81Å
305L47.6Very low48.8Very low62 Ų6286.3 Ų86.333%0.32544%0.44SS..Hα-helixtrans-74.1-35.3-177.4-83.9167.7000113.2M297 E301 R307 K308 L309M297-L305 HydrophobicContact CE-CB 4.15Å; M297-L305 HydrophobicContact CE-CD1 3.94Å; M297-L305 HydrophobicContact SD-CD1 4.14Å; E301-L305 PolarHBondContact O-N 3.5Å; L305-R307 PolarHBondContact O-N 3.47Å; L305-K308 HydrophobicContact CD2-CB 4.26Å; L305-K308 HydrophobicContact CD2-CD 3.78Å; L305-K308 HydrophobicContact CG-CD 4.28Å; L305-K308 PolarHBondContact O-N 3.16Å; L305-L309 WeakPolarHBondContact O-CB 3.49Å; L305-L309 PolarHBondContact O-N 3.02Å
306S49.3Very low47.1Very low39 Ų3993.8 Ų93.827%0.27347%0.467SS..Hα-helixtrans-56.4-40.2168.7179.50000111.2S302 S310S302-S306 WeakPolarHBondContact O-CB 3.36Å; S302-S306 PolarHBondContact O-N 2.82Å; S306-S310 WeakPolarHBondContact O-CB 3.4Å; S306-S310 PolarHBondContact O-N 2.85Å
307R47.2Very low45.9Very low152 Ų15295.2 Ų95.257%0.57447%0.473SS*.Hα-helixtrans-73.1-31.1173.4-75.1-177.1-66.3-159.8-3.5113.7N303 S304 L305 K311N303-R307 WeakPolarHBondContact O-CB 3.34Å; N303-R307 WeakPolarHBondContact O-CG 3.27Å; N303-R307 PolarHBondContact O-NE 3.04Å; N303-R307 PolarHBondContact O-NH2 3.32Å; S304-R307 CarbonylContact O-C 3.51Å; S304-R307 PolarHBondContact O-N 3.3Å; L305-R307 PolarHBondContact O-N 3.47Å; R307-K311 WeakPolarHBondContact O-CB 3.25Å; R307-K311 WeakPolarHBondContact O-CD 3.37Å; R307-K311 WeakPolarHBondContact O-CG 3.21Å; R307-K311 PolarHBondContact O-N 3.45Å; R307-K311 VanDerWaalsContact O-N 3.15Å
308K51.9Low45.9Very low100 Ų100101.1 Ų101.144%0.43550%0.498SS..Hα-helixtrans-71.1-53.5175.3-70.2160.6177.9164.90111E301 S304 L305 S310 K311 F312E301-K308 IonicContact OE2-NZ 2.77Å; S304-K308 WeakPolarHBondContact O-CG 3.43Å; S304-K308 PolarHBondContact O-N 3.03Å; S304-K308 WeakPolarHBondContact OG-CE 3.46Å; S304-K308 PolarHBondContact OG-NZ 2.81Å; L305-K308 HydrophobicContact CD2-CB 4.26Å; L305-K308 HydrophobicContact CD2-CD 3.78Å; L305-K308 HydrophobicContact CG-CD 4.28Å; L305-K308 PolarHBondContact O-N 3.16Å; K308-S310 VanDerWaalsContact C-N 3.28Å; K308-S310 PolarHBondContact O-N 2.65Å; K308-K311 PolarHBondContact O-N 2.84Å; K308-F312 WeakPolarHBondContact O-CD2 3.44Å; K308-F312 PolarHBondContact O-N 2.92Å
309L49.9Very low46Very low73 Ų7399.8 Ų99.838%0.38249%0.487SS..Hα-helixtrans-57.6-39.5175.6-121.370.1000111.9V289 L305 K311V289-L309 HydrophobicContact CG1-CD2 4.45Å; V289-L309 HydrophobicContact CG2-CD2 4.3Å; L305-L309 WeakPolarHBondContact O-CB 3.49Å; L305-L309 PolarHBondContact O-N 3.02Å; L309-K311 VanDerWaalsContact C-N 3.34Å; L309-K311 PolarHBondContact O-N 3.13Å
310S46.8Very low46.7Very low21 Ų21102.7 Ų102.715%0.14749%0.493CS..THydrogen-bonded Turntrans-78.5-8.6177.6-164.80000114.9S306 K308 K318S306-S310 WeakPolarHBondContact O-CB 3.4Å; S306-S310 PolarHBondContact O-N 2.85Å; K308-S310 VanDerWaalsContact C-N 3.28Å; K308-S310 PolarHBondContact O-N 2.65Å; S310-K318 WeakPolarHBondContact OG-CG 3.3Å
311K45.6Very low47.7Very low160 Ų16097.5 Ų97.570%0.69646%0.462SS*.THydrogen-bonded Turntrans-94.5-25.6179.2-90.1177.2175.7-169.80114.5R307 K308 L309R307-K311 WeakPolarHBondContact O-CB 3.25Å; R307-K311 WeakPolarHBondContact O-CD 3.37Å; R307-K311 WeakPolarHBondContact O-CG 3.21Å; R307-K311 PolarHBondContact O-N 3.45Å; R307-K311 VanDerWaalsContact O-N 3.15Å; K308-K311 PolarHBondContact O-N 2.84Å; L309-K311 VanDerWaalsContact C-N 3.34Å; L309-K311 PolarHBondContact O-N 3.13Å
312F45.6Very low48.3Very low191 Ų19198.4 Ų98.484%0.83848%0.478SS*.SBendtrans-108.518.4-174.1-68-74.6000114.2K308K308-F312 WeakPolarHBondContact O-CD2 3.44Å; K308-F312 PolarHBondContact O-N 2.92Å
313G42.6Very low49Very low33 Ų3398.9 Ų98.934%0.3449%0.487SS..SBendtrans-120142.3173.400000112.2
314S40.7Very low50.2Low105 Ų10596.5 Ų96.573%0.73447%0.47SS*.  trans-45.7146.6-172.3-56.70000115.5R316S314-R316 PolarHBondContact O-N 3.1Å
315I46Very low51.6Low161 Ų16195.7 Ų95.783%0.82646%0.464SS*.THydrogen-bonded Turntrans-64.812.9-157-150.1162000117.7
316R42.9Very low52.5Low205 Ų20593.7 Ų93.777%0.77446%0.457SS*.THydrogen-bonded Turntrans-126.2-9.1-171.9-139.1175-71.8-164.50.4116.4S314S314-R316 PolarHBondContact O-N 3.1Å
317Y48.1Very low53.2Low111 Ų11194.1 Ų94.144%0.43546%0.456SS..  trans-135.867.2-176.9-57.7-54.6000114.7F252 K282 H319F252-Y317 HydrophobicContact CZ-CD2 4.33Å; K282-Y317 VanDerWaalsContact NZ-CD1 3.33Å; K282-Y317 VanDerWaalsContact NZ-CE1 3.32Å; Y317-H319 PolarHBondContact O-N 3.04Å
318K52.3Low54Low133 Ų13389.8 Ų89.858%0.57844%0.442SS*.  trans-82.795.8174-66.9-179.8179169.50111S310S310-K318 WeakPolarHBondContact OG-CG 3.3Å
319H49.4Very low54.7Low37 Ų3785.8 Ų85.817%0.17143%0.425CS..  trans-79.4146.2164.8-156.2-116.6000110.4W285 K286 E290 Y317W285-H319 HydrophobicContact CH2-CB 3.57Å; W285-H319 HydrophobicContact CZ3-CB 3.71Å; K286-H319 PolarHBondContact NZ-CD2 3.39Å; K286-H319 VanDerWaalsContact NZ-CD2 3.34Å; K286-H319 PolarHBondContact NZ-NE2 3.32Å; E290-H319 IonicContact OE1-CE1 3.57Å; E290-H319 PolarHBondContact OE1-CE1 2.91Å; E290-H319 IonicContact OE1-NE2 3.96Å; Y317-H319 PolarHBondContact O-N 3.04Å
320R58Low55.1Low176 Ų17685.4 Ų85.466%0.66443%0.429SS*.  trans-138.6131.2167.7-57.4-171.7-160.3119-0.3107.6
321Y61.8Low55.8Low42 Ų4291.3 Ų91.317%0.16545%0.448CS..  trans-65.5145.7163-174.2-107.2000109.3F98 E290 T293 F294 G323 R324F98-Y321 HydrophobicContact CE2-CE2 4.08Å; F98-Y321 AromaticContact CZ-CE2 3.87Å; F98-Y321 HydrophobicContact CZ-CE2 3.87Å; E290-Y321 HydrophobicContact CB-CD2 4.15Å; E290-Y321 HydrophobicContact CG-CD2 4.07Å; T293-Y321 HydrophobicContact CG2-CD1 3.8Å; T293-Y321 HydrophobicContact CG2-CG 4.04Å; F294-Y321 VanDerWaalsContact CD2-OH 3.26Å; F294-Y321 WeakPolarHBondContact CD2-OH 3.31Å; Y321-G323 VanDerWaalsContact CE1-C 3.48Å; Y321-G323 VanDerWaalsContact CE1-O 3.25Å; Y321-G323 WeakPolarHBondContact CE1-O 3.41Å; Y321-R324 WeakPolarHBondContact CE1-O 3.45Å; Y321-R324 PolarHBondContact OH-O 2.9Å
322S56Low56.6Low105 Ų10586.3 Ų86.373%0.73443%0.429SS*.  trans-136.16.2-171.3-165.10000114.5
323G60.6Low57Low39 Ų3984.8 Ų84.840%0.40243%0.428SS..SBendtrans-93.9-177.3169.900000112Y321Y321-G323 VanDerWaalsContact CE1-C 3.48Å; Y321-G323 VanDerWaalsContact CE1-O 3.25Å; Y321-G323 WeakPolarHBondContact CE1-O 3.41Å
324R68.5Low57.8Low59 Ų5987.7 Ų87.722%0.22344%0.443CS..  trans-78.6156.6169.6-59.6-179.1-71.1-167.6-6.2109.8D55 F294 Y321 Q328 D332D55-R324 WeakPolarHBondContact OD1-CB 3.34Å; D55-R324 PolarHBondContact OD1-N 2.82Å; D55-R324 IonicContact OD1-NE 3.54Å; D55-R324 IonicContact OD2-CZ 2.69Å; D55-R324 IonicContact OD2-NE 2.84Å; D55-R324 PolarHBondContact OD2-NE 2.92Å; D55-R324 IonicContact OD2-NH2 3.19Å; D55-R324 PolarHBondContact OD2-NH2 2.68Å; F294-R324 WeakPolarHBondContact CD2-O 3.46Å; Y321-R324 WeakPolarHBondContact CE1-O 3.45Å; Y321-R324 PolarHBondContact OH-O 2.9Å; R324-Q328 HydrophobicContact CB-CB 4.36Å; R324-Q328 HydrophobicContact CB-CG 4.29Å; R324-Q328 HydrophobicContact CG-CG 4.48Å; R324-D332 WeakPolarHBondContact CD-OD2 3.44Å; R324-D332 IonicContact CZ-OD2 3.55Å; R324-D332 IonicContact NE-OD2 3.91Å; R324-D332 IonicContact NH1-OD2 2.7Å; R324-D332 PolarHBondContact NH1-OD2 2.95Å
325T72.5Confident59Low5 Ų585.9 Ų85.93%0.03142%0.424CS..  trans-83.8155.7170.573.20000109.8F294 M297 L327 Q328 M329F294-T325 WeakPolarHBondContact O-CB 3.28Å; M297-T325 HydrophobicContact CB-CG2 3.93Å; M297-T325 PolarHBondContact O-OG1 3.39Å; T325-L327 PolarHBondContact O-N 2.85Å; T325-L327 VanDerWaalsContact O-N 3.12Å; T325-Q328 WeakPolarHBondContact O-CB 3.23Å; T325-Q328 PolarHBondContact O-N 2.95Å; T325-Q328 PolarHBondContact OG1-N 3.27Å; T325-Q328 VanDerWaalsContact OG1-N 3.14Å; T325-M329 WeakPolarHBondContact O-CB 3.14Å; T325-M329 PolarHBondContact O-N 2.91Å
326A66.6Low60.2Low21 Ų2186.7 Ų86.717%0.17443%0.425CS..Hα-helixtrans-56.3-32.2178.200000112.4F294 S330F294-A326 HydrophobicContact CD1-CB 4.41Å; F294-A326 HydrophobicContact CE1-CB 3.95Å; F294-A326 HydrophobicContact CE2-CB 4.17Å; F294-A326 HydrophobicContact CZ-CB 3.82Å; F294-A326 PolarHBondContact O-N 2.96Å; A326-S330 PolarHBondContact O-N 2.84Å; A326-S330 VanDerWaalsContact O-N 3.09Å
327L64.7Low61.8Low47 Ų4778.9 Ų78.925%0.24640%0.398CS..Hα-helixtrans-75.7-35175.6179.7160.4000113.2P298 T325 S330 R331P298-L327 HydrophobicContact CB-CD1 4.21Å; P298-L327 HydrophobicContact CB-CD2 4.34Å; P298-L327 HydrophobicContact CG-CD1 4.06Å; T325-L327 PolarHBondContact O-N 2.85Å; T325-L327 VanDerWaalsContact O-N 3.12Å; L327-S330 PolarHBondContact O-OG 3.05Å; L327-S330 VanDerWaalsContact O-OG 3.06Å; L327-R331 WeakPolarHBondContact O-CG 3.42Å
328Q63.1Low63.2Low62 Ų6278.1 Ų78.129%0.2941%0.407SS..Hα-helixtrans-64.6-48.8172.4179.6-177.3-3.700110.1R324 T325 S330 R331 D332R324-Q328 HydrophobicContact CB-CB 4.36Å; R324-Q328 HydrophobicContact CB-CG 4.29Å; R324-Q328 HydrophobicContact CG-CG 4.48Å; T325-Q328 WeakPolarHBondContact O-CB 3.23Å; T325-Q328 PolarHBondContact O-N 2.95Å; T325-Q328 PolarHBondContact OG1-N 3.27Å; T325-Q328 VanDerWaalsContact OG1-N 3.14Å; Q328-S330 VanDerWaalsContact C-N 3.35Å; Q328-S330 PolarHBondContact O-N 3.38Å; Q328-R331 CarbonylContact O-C 3.58Å; Q328-R331 PolarHBondContact O-N 3.23Å; Q328-D332 PolarHBondContact O-N 2.94Å
329M66.2Low64.7Low16 Ų1674.8 Ų74.88%0.07939%0.391CS..Hα-helixtrans-59.7-39.1179.4174.9-178.9154.200113E53 D55 Y56 T325 R331 D332E53-M329 HydrophobicContact CB-CE 3.4Å; E53-M329 VanDerWaalsContact CB-CE 3.4Å; E53-M329 HydrophobicContact CG-CE 3.63Å; D55-M329 HydrophobicContact CB-SD 4.03Å; Y56-M329 HydrophobicContact CD2-CE 3.8Å; Y56-M329 HydrophobicContact CD2-SD 4.43Å; Y56-M329 HydrophobicContact CE2-CE 3.35Å; Y56-M329 HydrophobicContact CE2-SD 4.08Å; T325-M329 WeakPolarHBondContact O-CB 3.14Å; T325-M329 PolarHBondContact O-N 2.91Å; M329-R331 PolarHBondContact O-N 2.73Å; M329-D332 PolarHBondContact O-N 3Å
330S59.7Low65.7Low65 Ų6578 Ų7846%0.45541%0.414SS..Hα-helixtrans-64.9-21.3177.370.30000113.6K107 A326 L327 Q328K107-S330 PolarHBondContact NZ-O 3.06Å; A326-S330 PolarHBondContact O-N 2.84Å; A326-S330 VanDerWaalsContact O-N 3.09Å; L327-S330 PolarHBondContact O-OG 3.05Å; L327-S330 VanDerWaalsContact O-OG 3.06Å; Q328-S330 VanDerWaalsContact C-N 3.35Å; Q328-S330 PolarHBondContact O-N 3.38Å
331R61Low66Low145 Ų14577.1 Ų77.155%0.54742%0.423SS..THydrogen-bonded Turntrans-1051.5-176.7-63.7178.1-178.4-173.1-2.7115.2L327 Q328 M329 L333L327-R331 WeakPolarHBondContact O-CG 3.42Å; Q328-R331 CarbonylContact O-C 3.58Å; Q328-R331 PolarHBondContact O-N 3.23Å; M329-R331 PolarHBondContact O-N 2.73Å; R331-L333 VanDerWaalsContact C-N 3.32Å; R331-L333 PolarHBondContact O-N 3.42Å
332D61.4Low66.6Low55 Ų5577 Ų7729%0.29442%0.424SS..  trans-68.487.9177.5-103.2-38.8000110.4R324 Q328 M329 S334R324-D332 WeakPolarHBondContact CD-OD2 3.44Å; R324-D332 IonicContact CZ-OD2 3.55Å; R324-D332 IonicContact NE-OD2 3.91Å; R324-D332 IonicContact NH1-OD2 2.7Å; R324-D332 PolarHBondContact NH1-OD2 2.95Å; Q328-D332 PolarHBondContact O-N 2.94Å; M329-D332 PolarHBondContact O-N 3Å; D332-S334 PolarHBondContact O-N 3.49Å
333L54.9Low67.5Low159 Ų15979.9 Ų79.983%0.83243%0.431SS*.THydrogen-bonded Turntrans-672.4179.3-67.2172.6000114R331R331-L333 VanDerWaalsContact C-N 3.32Å; R331-L333 PolarHBondContact O-N 3.42Å
334S59.3Low68.6Low93 Ų9378.8 Ų78.865%0.6542%0.416SS*.THydrogen-bonded Turntrans-77-21.9178.948.70000113.3D332D332-S334 PolarHBondContact O-N 3.49Å
335I65.5Low69.2Low67 Ų6783.7 Ų83.734%0.34444%0.444SS..SBendtrans-129.7116.9176.3-53.5174000107.5V52 L337 R339V52-I335 HydrophobicContact CG1-CD1 3.54Å; V52-I335 HydrophobicContact CG1-CG2 4.31Å; V52-I335 HydrophobicContact CG2-CD1 4.12Å; I335-L337 HydrophobicContact CB-CG 4.47Å; I335-L337 HydrophobicContact CG2-CD2 3.71Å; I335-L337 HydrophobicContact CG2-CG 3.99Å; I335-L337 PolarHBondContact O-N 3.29Å; I335-R339 HydrophobicContact CG2-CG 4.41Å
336Q70.6Confident69.9Low178 Ų17886.9 Ų86.983%0.83246%0.455SS*.  trans-68.8124.3167.6-75.2-177.1-19.800108.4
337L77.6Confident70.7Confident42 Ų4287.4 Ų87.422%0.2246%0.458CS..SBendtrans-126.9132.9-177.4-69.7-179000109.2V52 E53 K107 E108 I335 R339V52-L337 HydrophobicContact CB-CD2 4.38Å; V52-L337 HydrophobicContact CG1-CD1 3.98Å; V52-L337 HydrophobicContact CG1-CD2 4.1Å; E53-L337 HydrophobicContact CG-CD1 4.41Å; K107-L337 HydrophobicContact CB-CB 3.92Å; K107-L337 HydrophobicContact CB-CD1 4.49Å; K107-L337 HydrophobicContact CD-CB 3.5Å; K107-L337 HydrophobicContact CD-CD1 3.94Å; K107-L337 HydrophobicContact CD-CG 4.38Å; K107-L337 HydrophobicContact CG-CB 4.36Å; E108-L337 HydrophobicContact CG-CD2 3.85Å; E108-L337 VanDerWaalsContact OE1-CD2 3.25Å; E108-L337 WeakPolarHBondContact OE1-CD2 3.25Å; I335-L337 HydrophobicContact CB-CG 4.47Å; I335-L337 HydrophobicContact CG2-CD2 3.71Å; I335-L337 HydrophobicContact CG2-CG 3.99Å; I335-L337 PolarHBondContact O-N 3.29Å; L337-R339 HydrophobicContact CD2-CG 4.18Å
338P77.3Confident71.7Confident94 Ų9492.8 Ų92.861%0.6148%0.475SS*.SBendcis-67.8148.72.329.4-36.1000113.3
339R84.6Confident72.7Confident64 Ų6490.8 Ų90.824%0.24247%0.468CS..PPolyproline II helixtrans-69.5141.5165.6-76179.1-74.2158.25.2108.9N50 V52 E108 I335 L337 Q342N50-R339 PolarHBondContact O-NH2 2.81Å; N50-R339 PolarHBondContact OD1-NH1 2.9Å; V52-R339 VanDerWaalsContact CG2-CZ 3.44Å; E108-R339 VanDerWaalsContact CD-NH2 3.26Å; E108-R339 IonicContact OE1-CZ 3.42Å; E108-R339 IonicContact OE1-NE 3.35Å; E108-R339 PolarHBondContact OE1-NE 2.58Å; E108-R339 IonicContact OE1-NH2 2.71Å; E108-R339 PolarHBondContact OE1-NH2 3.19Å; E108-R339 IonicContact OE2-CZ 2.83Å; E108-R339 IonicContact OE2-NH2 2.67Å; E108-R339 PolarHBondContact OE2-NH2 3.23Å; I335-R339 HydrophobicContact CG2-CG 4.41Å; L337-R339 HydrophobicContact CD2-CG 4.18Å; R339-Q342 HydrophobicContact CB-CG 4.14Å
340P70.6Confident73.6Confident103 Ų10393.4 Ų93.467%0.66948%0.479SS*.THydrogen-bonded Turntrans-67.3165.117529-34.9000112.2Q342P340-Q342 VanDerWaalsContact C-N 3.26Å; P340-Q342 PolarHBondContact O-N 3.14Å; P340-Q342 VanDerWaalsContact O-N 3.11Å
341D64.3Low74.8Confident158 Ų15894.5 Ų94.585%0.84548%0.483SS*.THydrogen-bonded Turntrans55.128.8167.4-49.3-34.3000116.5N343D341-N343 PolarHBondContact O-N 2.85Å
342Q74Confident76Confident41 Ų4191.8 Ų91.819%0.19247%0.473CS..  trans-84.789.3178.6-65.2-145.1-32.100113.6R339 P340 V344R339-Q342 HydrophobicContact CB-CG 4.14Å; P340-Q342 VanDerWaalsContact C-N 3.26Å; P340-Q342 PolarHBondContact O-N 3.14Å; P340-Q342 VanDerWaalsContact O-N 3.11Å; Q342-V344 PolarHBondContact O-N 2.86Å
343N74.1Confident77Confident165 Ų16594.7 Ų94.788%0.88250%0.495SS*.  trans-72.9108.7164.4-72.6-34.1000110.6D341 M345D341-N343 PolarHBondContact O-N 2.85Å; N343-M345 PolarHBondContact O-N 3.22Å
344V83.2Confident78.3Confident15 Ų1591.2 Ų91.29%0.09147%0.473CS..  trans-75.1113.6172.1177.30000109.7E109 I110 Y113 Q342 R346E109-V344 HydrophobicContact CB-CG2 3.82Å; E109-V344 HydrophobicContact CG-CG2 3.76Å; I110-V344 HydrophobicContact CB-CG2 4.03Å; I110-V344 HydrophobicContact CD1-CG1 4.11Å; Y113-V344 HydrophobicContact CD1-CG1 3.5Å; Y113-V344 HydrophobicContact CE1-CG1 4.17Å; Y113-V344 HydrophobicContact CG-CG1 3.73Å; Q342-V344 PolarHBondContact O-N 2.86Å; V344-R346 PolarHBondContact O-N 2.82Å; V344-R346 PolarHBondContact O-NH1 2.92Å; V344-R346 VanDerWaalsContact O-NH1 3.17Å
345M82.6Confident79.2Confident162 Ų16291.2 Ų91.280%0.79846%0.459SS*.  trans-67.8127.5170.2-171.9172.873.600109.5N343N343-M345 PolarHBondContact O-N 3.22Å
346R86.8Confident79.5Confident72 Ų7295.4 Ų95.427%0.27248%0.481SS..  trans-109.7124.8-174.1-72.4168.3165.979.77.9110.7E109 Y113 E193 V344E109-R346 IonicContact OE1-CZ 3.95Å; E109-R346 IonicContact OE1-NH1 2.94Å; E109-R346 PolarHBondContact OE1-NH1 2.69Å; E109-R346 IonicContact OE1-NH2 3.42Å; E109-R346 PolarHBondContact OE1-NH2 3.36Å; Y113-R346 HydrophobicContact CE2-CG 3.94Å; Y113-R346 WeakPolarHBondContact OH-CA 3.26Å; E193-R346 IonicContact OE1-CZ 3.01Å; E193-R346 IonicContact OE1-NE 3.55Å; E193-R346 PolarHBondContact OE1-NE 3.45Å; E193-R346 IonicContact OE1-NH2 2.73Å; E193-R346 PolarHBondContact OE1-NH2 2.98Å; E193-R346 IonicContact OE2-CZ 3.27Å; E193-R346 IonicContact OE2-NE 3.18Å; E193-R346 IonicContact OE2-NH2 2.72Å; E193-R346 PolarHBondContact OE2-NH2 3.1Å; V344-R346 PolarHBondContact O-N 2.82Å; V344-R346 PolarHBondContact O-NH1 2.92Å; V344-R346 VanDerWaalsContact O-NH1 3.17Å
347S83.8Confident78.9Confident32 Ų3289.4 Ų89.422%0.22446%0.461CS..PPolyproline II helixtrans-93.3137174.5-56.90000109.8D19 Y113D19-S347 WeakPolarHBondContact OD2-CB 3.44Å; D19-S347 PolarHBondContact OD2-OG 3.36Å; Y113-S347 PolarHBondContact OH-N 3.36Å; Y113-S347 PolarHBondContact OH-O 3.39Å
348R84.3Confident77.5Confident160 Ų16096.2 Ų96.260%0.60449%0.492SS*.PPolyproline II helixtrans-81.2146.4174.4-71.7-174.9165.6175.5-4.7111E146E146-R348 HydrophobicContact CB-CG 4.38Å; E146-R348 VanDerWaalsContact O-CZ 3.32Å; E146-R348 PolarHBondContact O-NE 3.14Å; E146-R348 PolarHBondContact O-NH2 2.87Å
349S85.4Confident75.8Confident21 Ų2197.5 Ų97.515%0.14750%0.498CS..PPolyproline II helixtrans-60.2153.7172.7-55.70000111.9K120 E146 T351K120-S349 PolarHBondContact NZ-OG 3.07Å; E146-S349 VanDerWaalsContact CD-OG 3.22Å; E146-S349 PolarHBondContact OE1-OG 3.41Å; E146-S349 WeakPolarHBondContact OE2-CB 3.48Å; E146-S349 PolarHBondContact OE2-N 2.82Å; E146-S349 PolarHBondContact OE2-OG 3.01Å; S349-T351 PolarHBondContact O-N 3.2Å
350K83.8Confident73.5Confident71 Ų71102.6 Ų102.631%0.30953%0.525SS..PPolyproline II helixtrans-57.6126.3169.5-73173.8-179.9141.40110.4E20 Y352 S410 H411E20-K350 WeakPolarHBondContact OE2-CD 3.16Å; E20-K350 WeakPolarHBondContact OE2-CE 3.41Å; E20-K350 IonicContact OE2-NZ 3.76Å; E20-K350 PolarHBondContact OE2-NZ 3.43Å; K350-Y352 HydrophobicContact CB-CE2 4.18Å; K350-Y352 WeakPolarHBondContact O-CE2 3.15Å; K350-S410 PolarHBondContact NZ-O 2.9Å; K350-H411 PolarHBondContact NZ-CE1 2.79Å; K350-H411 PolarHBondContact NZ-NE2 3.3Å
351T85.8Confident72Confident87 Ų87103.6 Ų103.653%0.53453%0.531SS..PPolyproline II helixtrans-89.9146.8172.950.30000111.7E162 Y163 S349E162-T351 HydrophobicContact CB-CG2 4.44Å; E162-T351 CarbonylContact O-C 3.57Å; E162-T351 VanDerWaalsContact O-CA 3.31Å; E162-T351 WeakPolarHBondContact O-CA 3.42Å; Y163-T351 HydrophobicContact CD1-CG2 4.47Å; Y163-T351 HydrophobicContact CE1-CG2 3.73Å; Y163-T351 HydrophobicContact CE2-CG2 4.37Å; S349-T351 PolarHBondContact O-N 3.2Å
352Y85.3Confident70.7Confident89 Ų89102.6 Ų102.635%0.34953%0.531SS..  trans-121.3159178.7-63.9-92000109.8E162 R164 K350 K354E162-Y352 WeakPolarHBondContact CA-O 3.42Å; E162-Y352 PolarHBondContact O-N 3.37Å; R164-Y352 HydrophobicContact CG-CD2 3.79Å; R164-Y352 HydrophobicContact CG-CE2 3.8Å; K350-Y352 HydrophobicContact CB-CE2 4.18Å; K350-Y352 WeakPolarHBondContact O-CE2 3.15Å; Y352-K354 PolarHBondContact O-N 3.27Å
353P83.3Confident68.9Low116 Ų116104.1 Ų104.175%0.75356%0.557SS**PPolyproline II helixtrans-56.2134.5172.5-24.234.5000111.5
354K81.9Confident66.9Low86 Ų86101.9 Ų101.937%0.37456%0.555SS.*PPolyproline II helixtrans-50.7141.4177.9-69.7179.1-178.9176.90111.3T156 S161 E162 Y352 I356T156-K354 PolarHBondContact OG1-NZ 3.01Å; S161-K354 WeakPolarHBondContact OG-CA 3.44Å; E162-K354 HydrophobicContact CG-CD 4.26Å; E162-K354 HydrophobicContact CG-CG 3.38Å; E162-K354 WeakPolarHBondContact OE1-CE 3.34Å; E162-K354 WeakPolarHBondContact OE2-CE 3.38Å; E162-K354 IonicContact OE2-NZ 2.71Å; Y352-K354 PolarHBondContact O-N 3.27Å; K354-I356 PolarHBondContact O-N 3.04Å
355R79Confident64.6Low92 Ų92108.9 Ų108.935%0.34759%0.592SS.*PPolyproline II helixtrans-65.1125.2168.7-166.7-174.7-58.894.77.4107.9S161 Q169 E174 A357S161-R355 PolarHBondContact OG-N 2.81Å; Q169-R355 PolarHBondContact O-NH2 3.01Å; Q169-R355 VanDerWaalsContact O-NH2 3.11Å; E174-R355 VanDerWaalsContact CD-NH1 3.26Å; E174-R355 IonicContact OE1-CZ 3.83Å; E174-R355 IonicContact OE1-NH1 3.33Å; E174-R355 PolarHBondContact OE1-NH1 3.47Å; E174-R355 IonicContact OE1-NH2 3.72Å; E174-R355 PolarHBondContact OE1-NH2 3.42Å; E174-R355 IonicContact OE2-CZ 2.81Å; E174-R355 IonicContact OE2-NH1 3.54Å; E174-R355 PolarHBondContact OE2-NH1 3.31Å; E174-R355 IonicContact OE2-NH2 3.73Å; R355-A357 PolarHBondContact O-N 3.13Å; R355-A357 VanDerWaalsContact O-N 3.16Å
356I71.9Confident62.1Low156 Ų156105.8 Ų105.880%0.859%0.586SS**  trans-69.9110.2170.2-57.2172.8000106.7K354 Q358K354-I356 PolarHBondContact O-N 3.04Å; I356-Q358 PolarHBondContact O-N 2.95Å
357A57.5Low59.5Low51 Ų51110.2 Ų110.242%0.42161%0.614SS.*  trans-58.9130.5174.300000109.5R355 T359R355-A357 PolarHBondContact O-N 3.13Å; R355-A357 VanDerWaalsContact O-N 3.16Å; A357-T359 VanDerWaalsContact C-N 3.25Å; A357-T359 PolarHBondContact O-N 3.24Å
358Q48.2Very low57Low186 Ų186113.4 Ų113.487%0.86964%0.636SS**  trans-7879.3173.7-75-167.2-8.200109.9I356 Q360I356-Q358 PolarHBondContact O-N 2.95Å; Q358-Q360 PolarHBondContact O-N 2.85Å
359T42.6Very low54.3Low121 Ų121116.1 Ų116.174%0.74265%0.646SS**  trans-60.699.1165.251.30000108.9A357 P361A357-T359 VanDerWaalsContact C-N 3.25Å; A357-T359 PolarHBondContact O-N 3.24Å; T359-P361 VanDerWaalsContact O-CD 3.26Å; T359-P361 WeakPolarHBondContact O-CD 3.46Å
360Q34.7Very low51.7Low171 Ų171122.1 Ų122.180%0.79968%0.675SS**  trans-60.5123.3165-71.4-168.210.100108.3Q358 T362Q358-Q360 PolarHBondContact O-N 2.85Å; Q360-T362 PolarHBondContact O-N 3.34Å
361P40.4Very low49.1Very low123 Ų123124.8 Ų124.880%0.79970%0.698SS**  trans-75.891.8173.3-11.629000109T359 G363T359-P361 VanDerWaalsContact O-CD 3.26Å; T359-P361 WeakPolarHBondContact O-CD 3.46Å; P361-G363 PolarHBondContact O-N 2.65Å; P361-G363 VanDerWaalsContact O-N 3.07Å
362T36.9Very low46.4Very low137 Ų137126.9 Ų126.984%0.8471%0.71SS**  trans-58.6111.7157.642.10000107.3Q360Q360-T362 PolarHBondContact O-N 3.34Å
363G36.3Very low43.7Very low73 Ų73130.9 Ų130.975%0.75374%0.738SS**  trans-78.3160.2-151.700000116.2P361P361-G363 PolarHBondContact O-N 2.65Å; P361-G363 VanDerWaalsContact O-N 3.07Å
364S31.7Very low41.2Very low119 Ų119132.7 Ų132.783%0.83274%0.738SS**  trans-134.1123.4154-178.30000108.1
365N34Very low38.6Very low161 Ų161135.8 Ų135.886%0.86175%0.754SS**  trans-98.3123.5175-78.2-27.8000109.3
366S29.9Very low36.3Very low97 Ų97139.5 Ų139.568%0.67878%0.78SS**  trans-175.8125.1133.952.70000114.2
367I33Very low34.2Very low166 Ų166135 Ų13585%0.85177%0.773SS**  trans68.5131.2133.3-60.9170.8000118.7
368S30.6Very low32.9Very low99 Ų99141.2 Ų141.269%0.69279%0.793SS**  trans-80.7163.4178.4510000113.7
369R28.9Very low32.1Very low217 Ų217138 Ų13882%0.81978%0.782SS**  -177.2138116.6-101.4169.7168.9156.5-2.2115.5
370I29.6Very low31.6Very low146 Ų146141 Ų14175%0.74979%0.788SS**  trans69.1140.6138.1-65.6164000119.6
371T29.8Very low31.3Very low128 Ų128136.3 Ų136.379%0.78579%0.785SS**  trans-88.9139176.747.90000113.3
372T28.4Very low31Very low131 Ų131137.4 Ų137.480%0.80479%0.79SS**  trans-147.9107.8148.2450000110.4
373N29.7Very low30.5Very low172 Ų172136.4 Ų136.492%0.9278%0.784SS**  trans-108.1130.9157.6-77.410.9000107.2
374M29.5Very low30.4Very low154 Ų154142.7 Ų142.776%0.75979%0.79SS**  trans-107.6138.7173.4-83.6176.16500111.2
375E28.1Very low30.2Very low151 Ų151144.6 Ų144.671%0.70679%0.79SS**  trans48.7105.2138.6-59.1179.7153.900119.4
376N30.8Very low30Very low170 Ų170144.7 Ų144.791%0.90979%0.788SS**  164.5133.2117.6-80.6-33.1000108.8
377G28.3Very low29.8Very low63 Ų63144.1 Ų144.165%0.64979%0.79SS**  cis168.2145.8-6.700000109.1
378E29.4Very low30.1Very low181 Ų181142 Ų14285%0.84679%0.787SS**  trans64148.6169-66.8177.4-153.900117.1
379N32Very low29.9Very low119 Ų119142.4 Ų142.464%0.63679%0.79SS**  cis-148.3167.8-2.2-111.5-28.9000111.2
380E31.9Very low30.6Very low184 Ų184137.7 Ų137.786%0.8679%0.787SS**  trans32.9119.1155.7-56.1-177.4136.800119.1
381G29.3Very low30.5Very low72 Ų72137.6 Ų137.674%0.74279%0.793SS**  98.4109.564.800000110
382T32.3Very low30.5Very low145 Ų145140.3 Ų140.389%0.8979%0.794SS**  -169.3159.576.9-61.70000110.6
383T28.3Very low30.3Very low117 Ų117138.8 Ų138.872%0.71879%0.788SS**  trans-75.3146.8-177.454.60000114.9
384K32.8Very low30.2Very low204 Ų204140.8 Ų140.889%0.88779%0.789SS**  -172.6160.7116.8-99.3157.9-171.9174.50113.4
385I28.5Very low30.1Very low160 Ų160143 Ų14382%0.82179%0.794SS**  trans-105.3153.2-174.5-56161.2000108.6
386I29.4Very low30.1Very low162 Ų162144.8 Ų144.883%0.83180%0.8SS**  trans150.1129.9141.8-77.8158.4000111.2
387A25.5Very low29.8Very low86 Ų86141.5 Ų141.571%0.71180%0.797SS**  trans-108.7161.5163.500000107.7
388P39.1Very low29.8Very low122 Ų122145.2 Ų145.279%0.79280%0.795SS**  cis-147-166.336.742.2-20.2000116.7
389S26.5Very low29.5Very low107 Ų107144.5 Ų144.575%0.74880%0.797SS**  trans-67.4-175.6170.4-6.80000113.8
390P44.2Very low29.3Very low117 Ų117144.8 Ų144.876%0.7680%0.795SS**  cis-132-169.8-20.139.1-22000112.4
391V27.9Very low29Very low144 Ų144144.1 Ų144.187%0.87380%0.797SS**  trans174.7169.5136.7148.50000110.5
392K29Very low28.7Very low185 Ų185146.1 Ų146.180%0.80480%0.8SS**  trans-106.1138.9-159-55.9170.9-178.3169.80115.2
393S25Very low28.6Very low99 Ų99144.6 Ų144.669%0.69279%0.792SS**  trans52.4127.3135.967.90000121.7
394F26.1Very low28.5Very low215 Ų215146.7 Ų146.794%0.94380%0.799SS**  trans-128.5160.4138.3-98.4-85.1000112.1
395K28.6Very low28.2Very low199 Ų199143.4 Ų143.487%0.86580%0.796SS**  trans-99.1165.6-178.4-67.4168.6-174.3169.60108.5
396K27Very low28.3Very low189 Ų189144.3 Ų144.382%0.82280%0.797SS**  cis-176.6135.1-14.5160.6-170.4176-173.80105
397A25.1Very low28.3Very low102 Ų102148 Ų14884%0.84380%0.8SS**  trans-131149.6165.600000110
398K27.3Very low28.6Very low141 Ų141148.1 Ų148.161%0.61380%0.796SS**  trans-102.4138-176.5-143.7-164.4-172.9-150.30108.9E400K398-E400 VanDerWaalsContact CE-CD 3.41Å; K398-E400 WeakPolarHBondContact CE-OE1 3.48Å; K398-E400 WeakPolarHBondContact CE-OE2 3.48Å; K398-E400 IonicContact NZ-OE1 2.69Å; K398-E400 PolarHBondContact NZ-OE1 3.13Å; K398-E400 IonicContact NZ-OE2 2.63Å; K398-E400 PolarHBondContact NZ-OE2 3.19Å
399N23.9Very low28.7Very low166 Ų166148.9 Ų148.989%0.88879%0.787SS**  trans-152.5143.9132.7-120.7-3.9000109.9
400E27.2Very low29.3Very low125 Ų125146.2 Ų146.258%0.58477%0.768SS**  trans-107137.4179.2-71.2146.5151.300108.7K398K398-E400 VanDerWaalsContact CE-CD 3.41Å; K398-E400 WeakPolarHBondContact CE-OE1 3.48Å; K398-E400 WeakPolarHBondContact CE-OE2 3.48Å; K398-E400 IonicContact NZ-OE1 2.69Å; K398-E400 PolarHBondContact NZ-OE1 3.13Å; K398-E400 IonicContact NZ-OE2 2.63Å; K398-E400 PolarHBondContact NZ-OE2 3.19Å
401N25.5Very low29.5Very low169 Ų169144.3 Ų144.390%0.90475%0.749SS**  trans169103137.9-87.9-19.2000111.6
402S23.6Very low30.6Very low115 Ų115137.8 Ų137.880%0.80471%0.71SS**  trans-158.1127.5147.2-165.80000107.9
403P30.7Very low31.3Very low113 Ų113130.4 Ų130.473%0.73468%0.681SS**  trans-82.6129.7-17731.4-32.7000111.9T405P403-T405 PolarHBondContact O-N 3.41Å
404D25.1Very low32.7Very low161 Ų161128 Ų12886%0.86166%0.657SS**  trans-59.8119.5171.8-91.3-51.1000111.1Q406D404-Q406 VanDerWaalsContact C-N 3.32Å; D404-Q406 PolarHBondContact O-N 2.9Å
405T27.4Very low33.8Very low135 Ų135121.1 Ų121.183%0.82863%0.628SS**  trans-77.283.7175.6-55.50000109.6P403 R407P403-T405 PolarHBondContact O-N 3.41Å; T405-R407 PolarHBondContact O-N 2.91Å
406Q30.8Very low34.3Very low178 Ų178117.3 Ų117.383%0.83261%0.613SS**  trans-60.7106.2173.1-74.9-163.6-11.600110.4D404 S408D404-Q406 VanDerWaalsContact C-N 3.32Å; D404-Q406 PolarHBondContact O-N 2.9Å; Q406-S408 PolarHBondContact O-N 3.29Å
407R28.8Very low34.4Very low241 Ų241113 Ų11391%0.90960%0.599SS**  trans-67.393.4-179.6-167-179.3-169-168.24.3110.1T405 K409T405-R407 PolarHBondContact O-N 2.91Å; R407-K409 PolarHBondContact O-N 2.69Å
408S32.6Very low34.7Very low88 Ų88109.9 Ų109.962%0.61558%0.577SS**  trans-62.6121-176.847.80000111.7Q406 S410Q406-S408 PolarHBondContact O-N 3.29Å; S408-S410 PolarHBondContact O-N 2.71Å
409K41.3Very low34.9Very low138 Ų138108.2 Ų108.260%0.658%0.58SS**  trans-62.2120.8175.7-68.4-179.7-174.2171.50109.2R407 H411 E416R407-K409 PolarHBondContact O-N 2.69Å; K409-H411 PolarHBondContact O-N 2.89Å; K409-E416 IonicContact NZ-OE1 2.69Å; K409-E416 PolarHBondContact NZ-OE1 2.93Å; K409-E416 IonicContact NZ-OE2 2.65Å; K409-E416 PolarHBondContact NZ-OE2 2.96Å
410S38.2Very low35.4Very low51 Ų51108.1 Ų108.136%0.35757%0.574SS.*  trans-87.659.7-178.3-62.80000111.1K350 S408K350-S410 PolarHBondContact NZ-O 2.9Å; S408-S410 PolarHBondContact O-N 2.71Å
411H48.4Very low35.8Very low76 Ų76106 Ų10635%0.35257%0.574SS.*SBendtrans-142.5151.5-174.3-82.1-73.9000110.8K350 K409 E415K350-H411 PolarHBondContact NZ-CE1 2.79Å; K350-H411 PolarHBondContact NZ-NE2 3.3Å; K409-H411 PolarHBondContact O-N 2.89Å; H411-E415 WeakPolarHBondContact CA-OE2 3.37Å; H411-E415 VanDerWaalsContact CB-OE2 3.29Å; H411-E415 WeakPolarHBondContact CB-OE2 3.2Å; H411-E415 IonicContact CG-OE2 2.68Å; H411-E415 IonicContact ND1-OE2 2.92Å; H411-E415 PolarHBondContact ND1-OE2 3.35Å
412A50.5Low36.3Very low8 Ų899.7 Ų99.77%0.06655%0.549CS..  trans-79.4145.1179.600000111.1Y93 W414 E415Y93-A412 HydrophobicContact CD1-CB 3.57Å; Y93-A412 HydrophobicContact CE1-CB 3.5Å; Y93-A412 VanDerWaalsContact CE1-CB 3.5Å; Y93-A412 HydrophobicContact CG-CB 4.48Å; A412-W414 HydrophobicContact CB-CD2 3.88Å; A412-W414 VanDerWaalsContact CB-CE2 3.46Å; A412-W414 HydrophobicContact CB-CE3 4.37Å; A412-W414 HydrophobicContact CB-CG 4.38Å; A412-W414 HydrophobicContact CB-CH2 4.25Å; A412-W414 HydrophobicContact CB-CZ2 3.68Å; A412-W414 PolarHBondContact O-N 3.36Å; A412-E415 HydrophobicContact CB-CG 4.06Å; A412-E415 PolarHBondContact N-OE2 3.08Å; A412-E415 WeakPolarHBondContact O-CA 3.31Å; A412-E415 VanDerWaalsContact O-CB 3.23Å; A412-E415 WeakPolarHBondContact O-CB 3.24Å; A412-E415 WeakPolarHBondContact O-CG 3.35Å; A412-E415 PolarHBondContact O-N 3.49Å
413P44.6Very low37Very low29 Ų2995.5 Ų95.519%0.18852%0.517CS..Hα-helixtrans-61-24-173.1-26.734.2000115.4C62 H66 Y93 E415 E416 N417C62-P413 HydrophobicContact CB-CG 4.44Å; H66-P413 WeakPolarHBondContact ND1-CB 3.5Å; Y93-P413 WeakPolarHBondContact OH-CD 3.35Å; P413-E415 VanDerWaalsContact C-N 3.27Å; P413-E415 PolarHBondContact O-N 3Å; P413-E416 PolarHBondContact O-N 3.29Å; P413-N417 PolarHBondContact O-N 2.75Å
414W55.2Low37.4Very low50 Ų5095.5 Ų95.519%0.18950%0.503CS..Hα-helixtrans-73.5-15.1172.652.680.5000114.1R60 T68 Y93 A412 G418R60-W414 HydrophobicContact CB-CH2 4.02Å; T68-W414 HydrophobicContact CG2-CD2 4.23Å; T68-W414 HydrophobicContact CG2-CE3 3.33Å; T68-W414 HydrophobicContact CG2-CZ3 3.58Å; Y93-W414 AromaticContact CD1-CH2 3.99Å; Y93-W414 HydrophobicContact CD1-CH2 3.99Å; Y93-W414 HydrophobicContact CD1-CZ2 4.21Å; Y93-W414 AromaticContact CD2-CH2 3.46Å; Y93-W414 HydrophobicContact CD2-CH2 3.46Å; Y93-W414 VanDerWaalsContact CD2-CH2 3.46Å; Y93-W414 HydrophobicContact CD2-CZ2 4.43Å; Y93-W414 AromaticContact CD2-CZ3 3.83Å; Y93-W414 HydrophobicContact CD2-CZ3 3.83Å; Y93-W414 HydrophobicContact CE2-CH2 4.2Å; Y93-W414 HydrophobicContact CE2-CZ3 4.17Å; Y93-W414 AromaticContact CG-CH2 3.36Å; Y93-W414 HydrophobicContact CG-CH2 3.36Å; Y93-W414 AromaticContact CG-CZ2 3.91Å; Y93-W414 HydrophobicContact CG-CZ2 3.91Å; Y93-W414 HydrophobicContact CG-CZ3 4.15Å; A412-W414 HydrophobicContact CB-CD2 3.88Å; A412-W414 VanDerWaalsContact CB-CE2 3.46Å; A412-W414 HydrophobicContact CB-CE3 4.37Å; A412-W414 HydrophobicContact CB-CG 4.38Å; A412-W414 HydrophobicContact CB-CH2 4.25Å; A412-W414 HydrophobicContact CB-CZ2 3.68Å; A412-W414 PolarHBondContact O-N 3.36Å; W414-G418 PolarHBondContact O-N 3.43Å
415E48.2Very low37.8Very low70 Ų7091.8 Ų91.833%0.32748%0.483SS..Hα-helixtrans-79.8-21.1174.2-53.2-175.4135.900112.1Q125 H411 A412 P413Q125-E415 PolarHBondContact NE2-OE1 3.04Å; H411-E415 WeakPolarHBondContact CA-OE2 3.37Å; H411-E415 VanDerWaalsContact CB-OE2 3.29Å; H411-E415 WeakPolarHBondContact CB-OE2 3.2Å; H411-E415 IonicContact CG-OE2 2.68Å; H411-E415 IonicContact ND1-OE2 2.92Å; H411-E415 PolarHBondContact ND1-OE2 3.35Å; A412-E415 HydrophobicContact CB-CG 4.06Å; A412-E415 PolarHBondContact N-OE2 3.08Å; A412-E415 WeakPolarHBondContact O-CA 3.31Å; A412-E415 VanDerWaalsContact O-CB 3.23Å; A412-E415 WeakPolarHBondContact O-CB 3.24Å; A412-E415 WeakPolarHBondContact O-CG 3.35Å; A412-E415 PolarHBondContact O-N 3.49Å; P413-E415 VanDerWaalsContact C-N 3.27Å; P413-E415 PolarHBondContact O-N 3Å
416E38.3Very low37.9Very low119 Ų11988.6 Ų88.656%0.55647%0.467SS*.Hα-helixtrans-108.6-28.9177.8-171.9155.2-124.800113.2K409 P413K409-E416 IonicContact NZ-OE1 2.69Å; K409-E416 PolarHBondContact NZ-OE1 2.93Å; K409-E416 IonicContact NZ-OE2 2.65Å; K409-E416 PolarHBondContact NZ-OE2 2.96Å; P413-E416 PolarHBondContact O-N 3.29Å
417N30.6Very low38Very low98 Ų9886.6 Ų86.652%0.52447%0.469SS..Hα-helixtrans-135.830.7-174.9-72.2-79.5000115P413P413-N417 PolarHBondContact O-N 2.75Å
418G30.6Very low38Very low37 Ų3780 Ų8038%0.38146%0.459SS..SBendtrans-66133.5154.100000109.4W414 Q420W414-G418 PolarHBondContact O-N 3.43Å; G418-Q420 PolarHBondContact O-N 3.45Å
419P31.9Very low37.8Very low106 Ų10682.9 Ų82.969%0.68847%0.468SS*.  trans-62127168.127.9-32.9000107.6S421P419-S421 PolarHBondContact O-N 2.9Å
420Q33.4Very low37.4Very low163 Ų16388.4 Ų88.476%0.76249%0.485SS*.SBendtrans-62.5-0.5-176.5-70.4178.2-6400114G418 G422 N425G418-Q420 PolarHBondContact O-N 3.45Å; Q420-G422 PolarHBondContact O-N 3.16Å; Q420-N425 VanDerWaalsContact O-CB 3.23Å; Q420-N425 WeakPolarHBondContact O-CB 3.32Å
421S36.3Very low36.9Very low81 Ų8191.2 Ų91.257%0.56650%0.501SS*.  trans-6853.3162.266.30000113.5P419 N425P419-S421 PolarHBondContact O-N 2.9Å; S421-N425 WeakPolarHBondContact CA-O 3.41Å
422G35.6Very low35.9Very low37 Ų3797 Ų9738%0.38153%0.525SS..SBendtrans-60.1147.9140.600000107.9Q420 Y424 N425Q420-G422 PolarHBondContact O-N 3.16Å; G422-Y424 PolarHBondContact O-N 2.9Å; G422-N425 PolarHBondContact O-N 2.81Å
423L39.4Very low34.8Very low27 Ų27102 Ų10214%0.14156%0.559CS.*THydrogen-bonded Turntrans-45.4-34.3-164.6-88.6171.5000115.1L210 F222 Y233 K236L210-L423 HydrophobicContact CD1-CD1 3.73Å; L210-L423 HydrophobicContact CD1-CG 4.07Å; L210-L423 HydrophobicContact CD2-CD1 4.42Å; F222-L423 HydrophobicContact CD2-CD2 3.75Å; F222-L423 HydrophobicContact CE2-CD2 3.76Å; F222-L423 HydrophobicContact CG-CD2 4.18Å; F222-L423 HydrophobicContact CZ-CD2 4.16Å; Y233-L423 HydrophobicContact CG-CD1 4.41Å; K236-L423 WeakPolarHBondContact CD-O 3.36Å; K236-L423 WeakPolarHBondContact CE-O 3.37Å; K236-L423 WeakPolarHBondContact CG-O 3.45Å; K236-L423 PolarHBondContact NZ-O 2.91Å
424Y37.9Very low34.5Very low113 Ų113105.8 Ų105.844%0.44358%0.584SS.*THydrogen-bonded Turntrans-85-32.1-177.3-74.5-89.1000115.4P129 K236 G422P129-Y424 HydrophobicContact CB-CD2 4.46Å; P129-Y424 HydrophobicContact CG-CD2 4.05Å; K236-Y424 HydrophobicContact CB-CE1 4.28Å; K236-Y424 HydrophobicContact CD-CD1 4.28Å; K236-Y424 HydrophobicContact CD-CE1 4.46Å; K236-Y424 PolarHBondContact NZ-O 3.09Å; K236-Y424 PolarHBondContact O-OH 2.89Å; G422-Y424 PolarHBondContact O-N 2.9Å
425N35.1Very low33.2Very low82 Ų82112.8 Ų112.844%0.43962%0.616SS.*  trans-92.6113.9-174.1-81.1-3.3000112.2Q420 S421 G422Q420-N425 VanDerWaalsContact O-CB 3.23Å; Q420-N425 WeakPolarHBondContact O-CB 3.32Å; S421-N425 WeakPolarHBondContact CA-O 3.41Å; G422-N425 PolarHBondContact O-N 2.81Å
426S28.1Very low32.3Very low69 Ų69118.8 Ų118.848%0.48364%0.641SS.*  trans-152.8115.8168.7-56.10000108.5S428S426-S428 PolarHBondContact O-N 2.75Å
427P32.3Very low32Very low136 Ų136119 Ų11988%0.88365%0.652SS**  trans-73.3109.7178.628.9-32.5000109.2
428S28.9Very low31.9Very low101 Ų101124.2 Ų124.271%0.70667%0.666SS**  trans-141.364.8-178.8-65.10000111.1S426S426-S428 PolarHBondContact O-N 2.75Å
429D29.6Very low31.7Very low150 Ų150128.4 Ų128.480%0.80268%0.684SS**  trans-165.389.5147-109.1-29.7000112.5
430R31.8Very low31.5Very low254 Ų254134.9 Ų134.996%0.95870%0.695SS**  trans-140.6119.5148.8-76.9-158171.7-171.7-2.5109.3
431T29.2Very low31.2Very low110 Ų110137.7 Ų137.768%0.67570%0.699SS**  trans-89.7170-17652.40000112.1
432K27.7Very low30.9Very low197 Ų197145.6 Ų145.686%0.85772%0.716SS**  trans79.594.4166.2-52.3175.1-174.6176.30117.6
433S25.3Very low30.6Very low113 Ų113149.8 Ų149.879%0.7973%0.73SS**  trans-59.1164.1134.9-320000109.6
434P39.1Very low30.6Very low109 Ų109154.2 Ų154.271%0.70876%0.76SS**  -155.1-173.753.442.5-20.2000118.5
435K27.1Very low30.1Very low197 Ų197153.7 Ų153.786%0.85777%0.773SS**  trans85.9119.4159.8-64.9174.5-179.1179.40119.2
436F31.1Very low29.7Very low196 Ų196156.6 Ų156.686%0.8680%0.798SS**  trans-67161.2152.5-76.1-93.2000110.9
437P31.8Very low29.7Very low122 Ų122156.6 Ų156.679%0.79281%0.809SS**  -135.4163104.538.5-30.2000114.8
438Y28.2Very low29.6Very low208 Ų208155 Ų15582%0.81680%0.802SS**  trans-69.4154.6165.7-97.1-106.1000111.5
439T26.7Very low29.7Very low125 Ų125156.5 Ų156.577%0.76780%0.801SS**  -174.7152117.920.30000116.3
440R27Very low29.9Very low242 Ų242157.2 Ų157.291%0.91381%0.805SS**  trans71.8128.1151.4-75175.5178177.40.2121.4
441R26.8Very low29.9Very low222 Ų222152.3 Ų152.384%0.83880%0.798SS**  trans-80.1168.2171.2-49.2174.4179.1-1670111.7
442R29.9Very low29.9Very low248 Ų248152 Ų15294%0.93680%0.801SS**  trans-144.9130.5133.1-114.6177.9179.5173.4-0.4110.5
443N29.2Very low29.9Very low124 Ų124148.3 Ų148.366%0.66379%0.794SS**  trans-100.5164.6166.5-69.749.8000108.7
444P39.7Very low30.2Very low120 Ų120151.1 Ų151.178%0.77980%0.795SS**  -134.8177.3105.114.37.4000112.4
445S28.5Very low30.6Very low103 Ų103150.7 Ų150.772%0.7279%0.792SS**  cis173.698.4-47.553.10000109.1
446C26.6Very low30.6Very low142 Ų142147.7 Ų147.796%0.95978%0.783SS**  trans175.7137.9163.2-101.50000107.6
447G27.3Very low30.5Very low69 Ų69147.4 Ų147.471%0.71178%0.776SS**  cis-173.4153-10.400000110.9
448S31.2Very low30.4Very low104 Ų104150.9 Ų150.973%0.72777%0.773SS**  trans21.8139.5143-173.50000121.2
449D30.5Very low30.5Very low131 Ų131151 Ų15170%0.70177%0.772SS**  cis-167151-18.2-90.7-42.8000108.6
450N33.3Very low30.6Very low166 Ų166154 Ų15489%0.88878%0.775SS**  171.8131.6129.5-93.8-33.7000113.1
451D30.8Very low30.8Very low151 Ų151145.9 Ų145.981%0.80776%0.759SS**  trans-77.1168.9169.2-81.3-65.6000111.3
452S29.6Very low31.1Very low104 Ų104142.9 Ų142.973%0.72775%0.754SS**  cis-167.2147.544.331.10000115.5
453V29.1Very low31.2Very low119 Ų119137.3 Ų137.372%0.72174%0.743SS**  trans37.8109.4131.9-167.90000117.6
454Q30.7Very low31.3Very low172 Ų172136.8 Ų136.880%0.80475%0.749SS**  63.2159.671-68.5-76.9-12.300114.7
455P47.4Very low30.8Very low99 Ų99134 Ų13464%0.64374%0.742SS**  cis-136.9-167.9-10.833.8-11.3000115.4
456M27.6Very low31Very low135 Ų135138.6 Ų138.667%0.66575%0.752SS**  trans84107.8143.2-75.9-120.9-17100124
457R29.2Very low31.3Very low190 Ų190139.2 Ų139.272%0.71775%0.746SS**  58.7127.7117.2-66.3-167.3-178.7152.8-7.6122.7
458R28.2Very low31.8Very low195 Ų195140.1 Ų140.174%0.73674%0.742SS**  111.6142.2114.9-105.9179.1174.7176-1.7119.7
459R30.7Very low32.1Very low209 Ų209142.3 Ų142.379%0.78975%0.745SS**  trans78.8125.4159.4-70.6169175.3174.2-3.1115
460K30.2Very low32.2Very low190 Ų190142.7 Ų142.783%0.82675%0.747SS**  95132.968.6-149.7-161.2178.3-169.90107.3
461A30.5Very low32.3Very low70 Ų70143.4 Ų143.458%0.57974%0.742SS**  cis-151.3-16621.600000113.3
462H33.5Very low32.4Very low159 Ų159145.5 Ų145.574%0.73675%0.747SS**  trans17148137.4-61.6-56.8000120.5
463N31.6Very low32.5Very low132 Ų132150.6 Ų150.671%0.70675%0.75SS**  cis-168.3166.35.6-121.210.4000113.1
464S30.8Very low32.5Very low113 Ų113155.8 Ų155.879%0.7976%0.756SS**  trans29.9147.5144.266.20000124.3
465G29.9Very low32.5Very low62 Ų62159.6 Ų159.664%0.63976%0.763SS**  trans118.3132.2173.600000110.5
466E32.8Very low31.8Very low199 Ų199160.2 Ų160.293%0.9377%0.77SS**  cis58.7131.224.9-53.1178.5137.900112.4
467D32.5Very low31.9Very low155 Ų155165.8 Ų165.883%0.82978%0.784SS**  cis-139-146.514.4-162.1-11.4000112.1
468S37.6Very low32.2Very low88 Ų88161.8 Ų161.862%0.61579%0.785SS**  trans-108.8168.5-150.344.50000116.5
469D36.7Very low32.2Very low150 Ų150163.7 Ų163.780%0.80279%0.792SS**  trans52.1129.6158.7-87.2-24.4000121.8
470L34.2Very low32.1Very low139 Ų139158.8 Ų158.873%0.72879%0.789SS**  -177127.9108.5-96.1165.7000115.2
471K34.7Very low32.1Very low181 Ų181157.1 Ų157.179%0.78779%0.789SS**  trans16.2123147.7-60.3165.8-165.3153.40119.9
472Q33.6Very low32.1Very low195 Ų195160.1 Ų160.191%0.91180%0.8SS**  -165.4162.3129.8-107.7-177.665.900111.4
473R31.1Very low31.9Very low211 Ų211157.6 Ų157.680%0.79680%0.801SS**  -165.1113.2-55180-177.6-168-157.16.2108.4
474R30.1Very low31.7Very low227 Ų227157.2 Ų157.286%0.85781%0.808SS**  trans34.8126.2159.9-60.2179.6178.1179.9-1.6119.6
475R29.8Very low31.5Very low252 Ų252155 Ų15595%0.95180%0.803SS**  -154.8128.2125.8-115.6166.3-171.7158.93112.3
476S32.6Very low31.5Very low113 Ų113157.2 Ų157.279%0.7981%0.809SS**  trans-123148.1173.343.90000109.3
477R30.8Very low31.3Very low251 Ų251156.2 Ų156.295%0.94780%0.804SS**  trans-142.5148.8164.5-84-166.3166.4136.3-3.4110
478S33.6Very low31.2Very low106 Ų106154.5 Ų154.574%0.74180%0.804SS**  trans-140.8159.2-172.453.70000110.6
479R30Very low31Very low236 Ų236157.6 Ų157.689%0.89181%0.809SS**  trans-175.5124.4148.1-93.8142.7-171.5-159.3-1106
480C28.3Very low31.2Very low106 Ų106159 Ų15972%0.71682%0.816SS**  69.8145.666.5-62.40000113.2
481N30.3Very low31.4Very low155 Ų155154.6 Ų154.683%0.82980%0.797SS**  cis177.1133.4-33.7-117.128.1000107.8
482T29.5Very low31.6Very low132 Ų132152.3 Ų152.381%0.8179%0.794SS**  trans-148112.8160.840.40000106.9
483S29.7Very low31.8Very low107 Ų107154.4 Ų154.475%0.74879%0.793SS**  64.2135.576.271.90000113.2
484S28.2Very low32.2Very low124 Ų124150.6 Ų150.687%0.86779%0.785SS**  cis-156156.16.9-157.40000113.7
485G26.3Very low32.7Very low66 Ų66146.3 Ų146.368%0.6877%0.774SS**  trans71.4152.8157.400000119.6
486S29.6Very low33.1Very low109 Ų109145.2 Ų145.276%0.76277%0.77SS**  cis-155.6140.9-14.4-78.80000111.8
487E28.8Very low33.5Very low177 Ų177147.4 Ų147.483%0.82777%0.765SS**  trans44.5138.8140-55.5-174.314000124.2
488S29.9Very low33.8Very low119 Ų119142.3 Ų142.383%0.83275%0.75SS**  trans64.5148.3157.875.80000117.8
489E34.3Very low33.9Very low153 Ų153147.9 Ų147.972%0.71576%0.755SS**  cis-137.9161.77.9-73.4-169.8138.600112.3S491E489-S491 WeakPolarHBondContact CB-OG 3.4Å; E489-S491 PolarHBondContact O-N 3.14Å; E489-S491 VanDerWaalsContact OE2-CB 3.31Å; E489-S491 WeakPolarHBondContact OE2-CB 3.35Å; E489-S491 PolarHBondContact OE2-OG 2.79Å
490N39.4Very low34.2Very low179 Ų179143.7 Ų143.796%0.95775%0.75SS**  trans-94.848.4175.1-155.88.7000113
491S38.3Very low34.7Very low47 Ų47149.2 Ų149.233%0.32976%0.756SS.*  trans-113.8-3.4-161.455.10000117.3E489E489-S491 WeakPolarHBondContact CB-OG 3.4Å; E489-S491 PolarHBondContact O-N 3.14Å; E489-S491 VanDerWaalsContact OE2-CB 3.31Å; E489-S491 WeakPolarHBondContact OE2-CB 3.35Å; E489-S491 PolarHBondContact OE2-OG 2.79Å
492N38.6Very low35Very low133 Ų133148.5 Ų148.571%0.71175%0.75SS**THydrogen-bonded Turntrans-103.36.5-164.2-98.4-73.5000118.5
493R39Very low35.2Very low239 Ų239153.8 Ų153.890%0.90276%0.756SS**THydrogen-bonded Turntrans-86.7-19.1176.6-155.1170.9-173.6175.40.6114
494E38.9Very low35.4Very low132 Ų132155 Ų15562%0.61775%0.75SS**THydrogen-bonded Turntrans-88.3-46.4-173.3-157.588.1-106.600113R496 K497E494-R496 PolarHBondContact O-N 3.46Å; E494-R496 VanDerWaalsContact O-N 3.09Å; E494-K497 PolarHBondContact O-N 3.45Å
495H40.1Very low35.8Very low136 Ų136155.7 Ų155.763%0.6374%0.739SS**Hα-helixtrans-59.4-27.3-175.7-82.2-81.7000113.7K497 K498H495-K497 PolarHBondContact O-N 3.3Å; H495-K498 PolarHBondContact O-N 3.4Å
496R39.3Very low36.2Very low229 Ų229160.2 Ų160.286%0.86475%0.748SS**Hα-helixtrans-71.2-12.4176.5-135.8172.2-171160.23113.9E494E494-R496 PolarHBondContact O-N 3.46Å; E494-R496 VanDerWaalsContact O-N 3.09Å
497K40.5Very low36.8Very low159 Ų159161.3 Ų161.369%0.69175%0.745SS**Hα-helixtrans-93.9-35.7172.2-71.2-177.2176.9177.60113.3E494 H495 R499E494-K497 PolarHBondContact O-N 3.45Å; H495-K497 PolarHBondContact O-N 3.3Å; K497-R499 PolarHBondContact O-N 2.74Å
498K37.9Very low37.4Very low145 Ų145161.3 Ų161.363%0.6375%0.747SS**Hα-helixtrans-67.7-31.8-179.6-82.1-176.3175.5176.10113.7H495 N500 R501H495-K498 PolarHBondContact O-N 3.4Å; K498-N500 PolarHBondContact O-N 3Å; K498-N500 VanDerWaalsContact O-N 3.1Å; K498-R501 PolarHBondContact O-N 3.22Å
499R36.2Very low38.2Very low222 Ų222159.9 Ų159.984%0.83873%0.729SS**THydrogen-bonded Turntrans-65.8-13.4-178.7-150172.7-167.9163.95.3114.9K497K497-R499 PolarHBondContact O-N 2.74Å
500N35.7Very low39.1Very low149 Ų149159.5 Ų159.580%0.79773%0.732SS**THydrogen-bonded Turntrans-100.24.6172.8-7813.1000114K498K498-N500 PolarHBondContact O-N 3Å; K498-N500 VanDerWaalsContact O-N 3.1Å
501R37.6Very low40.1Very low221 Ų221154.9 Ų154.983%0.83471%0.714SS**THydrogen-bonded Turntrans-106.2-7.9172.5-92.4-172.1173-178.3-2.5114.5K498K498-R501 PolarHBondContact O-N 3.22Å
502I36.4Very low40.9Very low140 Ų140156.5 Ų156.572%0.71873%0.73SS**SBendtrans-107.859.2172.8-47.2-179000109.5
503R34.3Very low41.7Very low243 Ų243154.9 Ų154.992%0.91773%0.727SS**SBendtrans-144.162.8155.6-116.4-178.6179.9173.4-0.3107.6
504Q34.7Very low42.4Very low133 Ų133148.9 Ų148.962%0.62171%0.709SS**  trans-42.5133.9161.7-98.3172.1-69.300110
505E35.8Very low42.9Very low138 Ų138150.2 Ų150.265%0.64571%0.709SS**  7277.187.1-158.4170.1-11100108.9
506N34.3Very low44Very low162 Ų162150.3 Ų150.387%0.86671%0.709SS**  trans-101.491.5161.2-78.83.5000105.8
507D42.1Very low45.1Very low132 Ų132142.2 Ų142.271%0.70669%0.691SS**  trans-65.1154.3166.6-72.8-43.4000110.4I509D507-I509 PolarHBondContact O-N 2.95Å
508M42.7Very low46.1Very low177 Ų177137 Ų13787%0.87267%0.673SS**  trans-73.6108.3175.2-77.9168.348.900110
509I46.5Very low47.1Very low88 Ų88134.4 Ų134.445%0.45167%0.665SS.*  trans-89.2108.4169.4-72.2172000107.9D507 Q514D507-I509 PolarHBondContact O-N 2.95Å; I509-Q514 HydrophobicContact CG2-CB 3.55Å
510D52.6Low48.1Very low146 Ų146132 Ų13278%0.78166%0.656SS**  trans-110.646.7-173.3-157.111.2000112.1
511S61.5Low49Very low82 Ų82134.3 Ų134.357%0.57365%0.653SS**SBendtrans-162.6129.1175.9-82.50000112P513 Q514S511-P513 VanDerWaalsContact C-CD 3.46Å; S511-Q514 PolarHBondContact O-N 2.8Å
512A54.6Low49.7Very low81 Ų81129.5 Ų129.567%0.66964%0.641SS**Hα-helixtrans-54.6-40.3-173.400000116Q514 W515A512-Q514 PolarHBondContact O-N 2.89Å; A512-Q514 VanDerWaalsContact O-N 3.16Å; A512-W515 WeakPolarHBondContact O-CB 3.4Å; A512-W515 PolarHBondContact O-N 3.08Å
513P55.3Low50.3Low99 Ų99130.8 Ų130.864%0.64364%0.641SS**Hα-helixtrans-61.4-27.3-176.2-26.636.5000114.9S511 W515S511-P513 VanDerWaalsContact C-CD 3.46Å; P513-W515 VanDerWaalsContact C-N 3.32Å
514Q53.6Low50.9Low112 Ų112125.2 Ų125.252%0.52363%0.625SS.*Hα-helixtrans-73.6-23.4176.3-76-173.8-17.800112.6I509 S511 A512 A517 V518I509-Q514 HydrophobicContact CG2-CB 3.55Å; S511-Q514 PolarHBondContact O-N 2.8Å; A512-Q514 PolarHBondContact O-N 2.89Å; A512-Q514 VanDerWaalsContact O-N 3.16Å; Q514-A517 PolarHBondContact O-N 2.77Å; Q514-V518 PolarHBondContact O-N 3.31Å
515W50.3Low51.5Low161 Ų161127.7 Ų127.761%0.6163%0.634SS**Hα-helixtrans-71.2-37.8178.6-169.3-116.8000112.4A512 P513 A517 V518 L519A512-W515 WeakPolarHBondContact O-CB 3.4Å; A512-W515 PolarHBondContact O-N 3.08Å; P513-W515 VanDerWaalsContact C-N 3.32Å; W515-A517 VanDerWaalsContact C-N 3.33Å; W515-A517 PolarHBondContact O-N 3.3Å; W515-V518 WeakPolarHBondContact O-CB 3.09Å; W515-V518 PolarHBondContact O-N 2.7Å; W515-L519 PolarHBondContact O-N 2.98Å
516E62.2Low51.7Low138 Ų138127.7 Ų127.765%0.64564%0.639SS**Hα-helixtrans-65.5-35.8175.4-65.5-167.5104.300112.3V518 L519 R520E516-V518 VanDerWaalsContact C-N 3.31Å; E516-V518 PolarHBondContact O-N 3.34Å; E516-L519 PolarHBondContact O-N 3.17Å; E516-R520 WeakPolarHBondContact O-CG 3.31Å; E516-R520 PolarHBondContact O-N 2.76Å
517A63.1Low52.4Low58 Ų58128.8 Ų128.848%0.47964%0.639SS.*Hα-helixtrans-62.5-36.6173.300000112.5Q514 W515 R521Q514-A517 PolarHBondContact O-N 2.77Å; W515-A517 VanDerWaalsContact C-N 3.33Å; W515-A517 PolarHBondContact O-N 3.3Å; A517-R521 PolarHBondContact O-N 3.4Å
518V60.6Low52.4Low51 Ų51126.7 Ų126.731%0.30964%0.639SS.*Hα-helixtrans-67.8-42.5173.5174.80000111.1Q514 W515 E516 R521 Q522Q514-V518 PolarHBondContact O-N 3.31Å; W515-V518 WeakPolarHBondContact O-CB 3.09Å; W515-V518 PolarHBondContact O-N 2.7Å; E516-V518 VanDerWaalsContact C-N 3.31Å; E516-V518 PolarHBondContact O-N 3.34Å; V518-R521 PolarHBondContact O-N 2.72Å; V518-Q522 PolarHBondContact O-N 2.98Å
519L59.9Low52.2Low89 Ų89125.6 Ų125.647%0.46664%0.637SS.*Hα-helixtrans-63.3-40.6176.8-74.4165.5000112.4W515 E516 Q522 K523W515-L519 PolarHBondContact O-N 2.98Å; E516-L519 PolarHBondContact O-N 3.17Å; L519-Q522 PolarHBondContact O-N 3.03Å; L519-K523 PolarHBondContact O-N 2.94Å
520R56.7Low52.1Low171 Ų171127.6 Ų127.665%0.64566%0.656SS**Hα-helixtrans-58.2-50.7172.3-70.8-72.3-66.4-127.6-0.8111.4E516 Q522 K523 E524E516-R520 WeakPolarHBondContact O-CG 3.31Å; E516-R520 PolarHBondContact O-N 2.76Å; R520-Q522 VanDerWaalsContact C-N 3.28Å; R520-Q522 PolarHBondContact O-N 3.27Å; R520-K523 WeakPolarHBondContact O-CB 3.36Å; R520-K523 PolarHBondContact O-N 3.09Å; R520-E524 PolarHBondContact O-N 3.02Å
521R54.6Low51.7Low198 Ų198127.6 Ų127.675%0.74766%0.656SS**Hα-helixtrans-61.2-29.5177.3-89.8-175.5168.1-177.4-1.7114.2A517 V518A517-R521 PolarHBondContact O-N 3.4Å; V518-R521 PolarHBondContact O-N 2.72Å
522Q52.3Low50.6Low121 Ų121131.5 Ų131.557%0.56567%0.67SS**Hα-helixtrans-76.1-33.4172.8-71.5-168.916.900112.6V518 L519 R520 K525 N526V518-Q522 PolarHBondContact O-N 2.98Å; L519-Q522 PolarHBondContact O-N 3.03Å; R520-Q522 VanDerWaalsContact C-N 3.28Å; R520-Q522 PolarHBondContact O-N 3.27Å; Q522-K525 PolarHBondContact O-N 3.14Å; Q522-N526 PolarHBondContact O-ND2 3.1Å
523K49.3Very low49.7Very low167 Ų167138.8 Ų138.873%0.72668%0.68SS**Hα-helixtrans-67.9-39.9179.7-162.4173.2-175.6178.80112.3L519 R520 K525L519-K523 PolarHBondContact O-N 2.94Å; R520-K523 WeakPolarHBondContact O-CB 3.36Å; R520-K523 PolarHBondContact O-N 3.09Å; K523-K525 VanDerWaalsContact C-N 3.31Å; K523-K525 PolarHBondContact O-N 3.38Å
524E46.2Very low48.7Very low126 Ų126145.7 Ų145.759%0.58969%0.694SS**Hα-helixtrans-65.8-31.6175.9-71.9159.9-174.300112.6R520 N526R520-E524 PolarHBondContact O-N 3.02Å; E524-N526 PolarHBondContact O-N 3.11Å; E524-N526 VanDerWaalsContact O-N 3.14Å
525K46.9Very low47.7Very low184 Ų184145 Ų14580%0.870%0.701SS**THydrogen-bonded Turntrans-74.80.7-176.3-123.9173.5-174.5173.10115.7Q522 K523Q522-K525 PolarHBondContact O-N 3.14Å; K523-K525 VanDerWaalsContact C-N 3.31Å; K523-K525 PolarHBondContact O-N 3.38Å
526N41.3Very low47Very low139 Ų139149 Ų14974%0.74372%0.716SS**THydrogen-bonded Turntrans-104.113.1180-73.8-40.1000113.8Q522 E524Q522-N526 PolarHBondContact O-ND2 3.1Å; E524-N526 PolarHBondContact O-N 3.11Å; E524-N526 VanDerWaalsContact O-N 3.14Å
527Q49.1Very low45.7Very low185 Ų185150.6 Ų150.686%0.86472%0.723SS**SBendtrans-125.261.3174.5-65.3-167.213.100112.8
528A40.3Very low44.3Very low87 Ų87159.8 Ų159.872%0.71975%0.745SS**SBendtrans-154.8156.1166.200000112
529D39Very low43Very low154 Ų154162.8 Ų162.882%0.82477%0.769SS**  trans56.496.9170.4-69.5-34.5000119.7N531D529-N531 VanDerWaalsContact C-N 3.34Å; D529-N531 PolarHBondContact O-N 3.18Å
530P45.5Very low41.8Very low131 Ų131170.1 Ų170.185%0.85179%0.79SS**  trans-89.538.8179.138.4-37.3000114
531N43.8Very low40.9Very low145 Ų145167.6 Ų167.678%0.77580%0.799SS**  trans-141.878.2-172-121.7-27000116D529D529-N531 VanDerWaalsContact C-N 3.34Å; D529-N531 PolarHBondContact O-N 3.18Å
532N38.4Very low39.9Very low164 Ų164169.8 Ų169.888%0.87781%0.807SS**  trans-149.8142.7147.9-137.2-44.2000112.7
533R35.5Very low39.1Very low235 Ų235169.3 Ų169.389%0.88782%0.817SS**PPolyproline II helixtrans-86.9145.8-170.1-74.3-178.5172.7177.4-2.5112.4S535R533-S535 PolarHBondContact O-N 3.37Å
534R34.3Very low38.7Very low244 Ų244167.2 Ų167.292%0.92182%0.821SS**PPolyproline II helixtrans-65.5124.1-169.2-64.1170.9174.8162-3.8113.1
535S32.8Very low38.7Very low98 Ų98167.1 Ų167.169%0.68582%0.824SS**PPolyproline II helixtrans-86.2124.5153.2-176.40000109.7R533 H537R533-S535 PolarHBondContact O-N 3.37Å; S535-H537 PolarHBondContact O-N 3.33Å
536R35.7Very low38.8Very low245 Ų245164.9 Ų164.993%0.92582%0.82SS**  trans-83.1101.2179.5-97.2176149.8173.2-6.9110.7
537H33.4Very low39Very low171 Ų171164.4 Ų164.479%0.79281%0.813SS**  trans-105.4137.7156.6-73.9-68.7000110.3S535 S539S535-H537 PolarHBondContact O-N 3.33Å; H537-S539 PolarHBondContact O-N 3.14Å
538R34.7Very low39.1Very low250 Ų250158.8 Ų158.894%0.94380%0.798SS**PPolyproline II helixtrans-64.2128.5-177.3-72.2178.7172173.8-3.7110.3
539S33.9Very low39.5Very low115 Ų115161.3 Ų161.380%0.80479%0.793SS**PPolyproline II helixtrans-59.1132168.745.30000110.6H537H537-S539 PolarHBondContact O-N 3.14Å
540R34.3Very low40.1Very low242 Ų242159.7 Ų159.791%0.91378%0.78SS**PPolyproline II helixtrans-68.4151.3158.8-78179.1166168.5-5.6108.8
541S36.8Very low40.4Very low118 Ų118159.3 Ų159.383%0.82577%0.767SS**PPolyproline II helixtrans-59.1149.9-179.530.20000112.3
542R34.7Very low40.6Very low245 Ų245157.6 Ų157.693%0.92576%0.757SS**PPolyproline II helixtrans-64.2148.8162.4-70.4176.9170.5175.7-5.5109.1
543S35.4Very low40.9Very low110 Ų110157.9 Ų157.977%0.76975%0.746SS**PPolyproline II helixtrans-69.6152.1167.8-60.80000110.9
544P40.2Very low41.6Very low124 Ų124154 Ų15481%0.80574%0.736SS**PPolyproline II helixtrans-64.5169.3172.8-21.534.5000113.7
545D46.3Very low42.2Very low123 Ų123150.9 Ų150.966%0.65873%0.731SS**PPolyproline II helixtrans-63.8142.9-162.5-72.6-73.6000117.4Q547D545-Q547 VanDerWaalsContact C-N 3.3Å; D545-Q547 HydrophobicContact CB-CB 4.26Å
546I49Very low43Very low138 Ų138151.3 Ų151.371%0.70873%0.725SS**SBendtrans-70.6-32.7163.8-63.4170.7000109.9A548 K549I546-A548 PolarHBondContact O-N 3.29Å; I546-K549 VanDerWaalsContact O-CB 3.24Å; I546-K549 WeakPolarHBondContact O-CB 3.28Å; I546-K549 PolarHBondContact O-N 2.93Å
547Q45.7Very low43.2Very low129 Ų129146.9 Ų146.960%0.60372%0.715SS**Hα-helixtrans-61.9-43.4-173.6-158.7163.61.600112.7D545 K549 E550 E551D545-Q547 VanDerWaalsContact C-N 3.3Å; D545-Q547 HydrophobicContact CB-CB 4.26Å; Q547-K549 PolarHBondContact O-N 3.36Å; Q547-K549 VanDerWaalsContact O-N 3.1Å; Q547-E550 PolarHBondContact O-N 3.4Å; Q547-E550 VanDerWaalsContact O-N 3.12Å; Q547-E551 PolarHBondContact O-N 2.8Å
548A51.2Low43.8Very low66 Ų66147.4 Ų147.455%0.54572%0.715SS.*Hα-helixtrans-60.9-20.3175.200000113.7I546I546-A548 PolarHBondContact O-N 3.29Å
549K49.6Very low44.1Very low141 Ų141144.4 Ų144.461%0.61371%0.711SS**Hα-helixtrans-77.5-41.5175.9-161.7179.8-179.2-174.60111.4I546 Q547 L552 W553I546-K549 VanDerWaalsContact O-CB 3.24Å; I546-K549 WeakPolarHBondContact O-CB 3.28Å; I546-K549 PolarHBondContact O-N 2.93Å; Q547-K549 PolarHBondContact O-N 3.36Å; Q547-K549 VanDerWaalsContact O-N 3.1Å; K549-L552 PolarHBondContact O-N 2.98Å; K549-W553 PolarHBondContact O-N 3.05Å
550E50.4Low45.1Very low120 Ų120146.8 Ų146.856%0.56171%0.714SS**Hα-helixtrans-69.3-34.8-178.4-65.6-168.1150.600112.8Q547 W553 K554Q547-E550 PolarHBondContact O-N 3.4Å; Q547-E550 VanDerWaalsContact O-N 3.12Å; E550-W553 PolarHBondContact O-N 3.21Å; E550-K554 WeakPolarHBondContact O-CG 3.38Å; E550-K554 PolarHBondContact O-N 3.12Å
551E51.6Low46Very low123 Ų123140.5 Ų140.558%0.57570%0.702SS**Hα-helixtrans-66.5-38.9175.7-65.9-176.716300111.8Q547 W553 K554 H555Q547-E551 PolarHBondContact O-N 2.8Å; E551-W553 PolarHBondContact O-N 3.2Å; E551-K554 PolarHBondContact O-N 3.13Å; E551-H555 PolarHBondContact O-N 2.85Å
552L48.8Very low46.9Very low109 Ų109140.2 Ų140.257%0.57169%0.692SS**Hα-helixtrans-61.6-43.6175-165.175.9000112K549 K554 H555 I556K549-L552 PolarHBondContact O-N 2.98Å; L552-K554 VanDerWaalsContact C-N 3.32Å; L552-K554 PolarHBondContact O-N 3.02Å; L552-H555 PolarHBondContact O-N 3.21Å; L552-I556 HydrophobicContact CG-CD1 4.15Å; L552-I556 WeakPolarHBondContact O-CD1 3.34Å; L552-I556 WeakPolarHBondContact O-CG1 3.39Å
553W44.5Very low48Very low169 Ų169132.2 Ų132.264%0.6467%0.671SS**Hα-helixtrans-68.1-27.8178-77.3104.9000113.5K549 E550 E551K549-W553 PolarHBondContact O-N 3.05Å; E550-W553 PolarHBondContact O-N 3.21Å; E551-W553 PolarHBondContact O-N 3.2Å
554K49.6Very low48.8Very low153 Ų153132 Ų13267%0.66567%0.67SS**Hα-helixtrans-70.6-30.7173.7-72.9169.4-176.6169.60112.7E550 E551 L552 I556E550-K554 WeakPolarHBondContact O-CG 3.38Å; E550-K554 PolarHBondContact O-N 3.12Å; E551-K554 PolarHBondContact O-N 3.13Å; L552-K554 VanDerWaalsContact C-N 3.32Å; L552-K554 PolarHBondContact O-N 3.02Å; K554-I556 VanDerWaalsContact C-N 3.34Å
555H47.1Very low49.6Very low180 Ų180130 Ų13083%0.83367%0.672SS**THydrogen-bonded Turntrans-82.6-6.8-178.1-124.995.7000114.6E551 L552E551-H555 PolarHBondContact O-N 2.85Å; L552-H555 PolarHBondContact O-N 3.21Å
556I50.2Low50.5Low107 Ų107127.2 Ų127.255%0.54966%0.656SS.*THydrogen-bonded Turntrans-103.2-3.6-174.5-69.2169.8000112.1L552 K554 K558L552-I556 HydrophobicContact CG-CD1 4.15Å; L552-I556 WeakPolarHBondContact O-CD1 3.34Å; L552-I556 WeakPolarHBondContact O-CG1 3.39Å; K554-I556 VanDerWaalsContact C-N 3.34Å; I556-K558 PolarHBondContact O-N 2.82Å
557Q39.8Very low51.5Low152 Ų152123.2 Ų123.271%0.7164%0.64SS**  trans-86.6111.2-178.3-76.8-158.9-34.800113.9
558K45.1Very low52.5Low182 Ų182124.4 Ų124.479%0.79165%0.646SS**SBendtrans83.2142164.8-52.3172.8-175.4-179.60114.7I556I556-K558 PolarHBondContact O-N 2.82Å
559E42.8Very low53.2Low186 Ų186128.5 Ų128.587%0.86965%0.654SS**PPolyproline II helixcis-100128.85.8-61.2-172.9149.600112.4
560L53.8Low53.7Low165 Ų165126.7 Ų126.786%0.86465%0.648SS**PPolyproline II helixtrans-93.7118.5162.6-94.377.7000107.8
561V52.9Low54.2Low110 Ų110124.4 Ų124.467%0.66764%0.639SS**PPolyproline II helixtrans-81.2128.4162.7-178.90000107.7P563 L566V561-P563 WeakPolarHBondContact O-CD 3.4Å; V561-L566 HydrophobicContact CG1-CD1 4.2Å
562D57.3Low54.7Low113 Ų113125.9 Ų125.960%0.60464%0.644SS**PPolyproline II helixtrans-75.1119.5174.4-168.3-28.4000109.4S564D562-S564 PolarHBondContact O-N 3.37Å; D562-S564 WeakPolarHBondContact OD1-CB 3.17Å; D562-S564 PolarHBondContact OD1-N 3.27Å; D562-S564 PolarHBondContact OD1-OG 2.65Å
563P57.4Low55.3Low77 Ų77128.3 Ų128.350%0.565%0.652SS.*  trans-73.6-1.8-177.931.6-36.7000114V561 G565 L566 L571V561-P563 WeakPolarHBondContact O-CD 3.4Å; P563-G565 PolarHBondContact O-N 2.93Å; P563-L566 PolarHBondContact O-N 3.09Å; P563-L571 HydrophobicContact CB-CD2 3.97Å
564S52Low55.8Low106 Ų106125 Ų12574%0.74165%0.646SS**THydrogen-bonded Turntrans-71.656.5-173.3-53.10000114.4D562D562-S564 PolarHBondContact O-N 3.37Å; D562-S564 WeakPolarHBondContact OD1-CB 3.17Å; D562-S564 PolarHBondContact OD1-N 3.27Å; D562-S564 PolarHBondContact OD1-OG 2.65Å
565G57.4Low55.9Low81 Ų81123.3 Ų123.384%0.83565%0.65SS**THydrogen-bonded Turntrans165.2-2.6177.500000116.2P563P563-G565 PolarHBondContact O-N 2.93Å
566L64.1Low56Low65 Ų65124.6 Ų124.634%0.3465%0.649SS.*  trans-90150.3-177.8-76.4140.9000112.5V561 P563 Q570 L571V561-L566 HydrophobicContact CG1-CD1 4.2Å; P563-L566 PolarHBondContact O-N 3.09Å; L566-Q570 HydrophobicContact CD2-CB 3.79Å; L566-L571 HydrophobicContact CB-CD2 3.93Å; L566-L571 HydrophobicContact CB-CG 4.07Å; L566-L571 HydrophobicContact CD1-CD2 4.39Å
567S69.8Low56Low53 Ų53125.5 Ų125.537%0.37166%0.66SS.*  trans-76.6158.8175.679.30000112.5E569 Q570 L571S567-E569 PolarHBondContact O-N 2.84Å; S567-Q570 PolarHBondContact O-N 2.65Å; S567-Q570 VanDerWaalsContact O-N 3.11Å; S567-Q570 PolarHBondContact OG-N 2.99Å; S567-L571 WeakPolarHBondContact O-CG 3.33Å; S567-L571 PolarHBondContact O-N 2.86Å
568E67.1Low56.3Low155 Ų155125.6 Ų125.672%0.72466%0.658SS**THydrogen-bonded Turntrans-63.4-12.9179.4-166.9176-165.300113.9K572E568-K572 WeakPolarHBondContact O-CD 3.32Å; E568-K572 VanDerWaalsContact O-CE 3.29Å; E568-K572 WeakPolarHBondContact O-CE 3.4Å; E568-K572 PolarHBondContact O-NZ 3.26Å
569E65.9Low56.2Low152 Ų152123.6 Ų123.671%0.7166%0.655SS**THydrogen-bonded Turntrans-87.6-45.9172.8-62.7-178.4149.800110.8S567 L571 K572S567-E569 PolarHBondContact O-N 2.84Å; E569-L571 VanDerWaalsContact C-N 3.28Å; E569-L571 PolarHBondContact O-N 3.37Å; E569-K572 WeakPolarHBondContact O-CB 3.31Å; E569-K572 PolarHBondContact O-N 2.76Å
570Q59.1Low56.3Low102 Ų102121 Ų12148%0.47764%0.642SS.*G310 helixtrans-65-31.3177.1-66.4177.2-54.800112.7L566 S567 K572 E573L566-Q570 HydrophobicContact CD2-CB 3.79Å; S567-Q570 PolarHBondContact O-N 2.65Å; S567-Q570 VanDerWaalsContact O-N 3.11Å; S567-Q570 PolarHBondContact OG-N 2.99Å; Q570-K572 PolarHBondContact O-N 3.18Å; Q570-E573 PolarHBondContact O-N 3.47Å
571L62Low55.9Low73 Ų73118.9 Ų118.938%0.38264%0.636SS.*G310 helixtrans-65.4-15.6173.5-69.2173.3000113.6P563 L566 S567 E569 I574P563-L571 HydrophobicContact CB-CD2 3.97Å; L566-L571 HydrophobicContact CB-CD2 3.93Å; L566-L571 HydrophobicContact CB-CG 4.07Å; L566-L571 HydrophobicContact CD1-CD2 4.39Å; S567-L571 WeakPolarHBondContact O-CG 3.33Å; S567-L571 PolarHBondContact O-N 2.86Å; E569-L571 VanDerWaalsContact C-N 3.28Å; E569-L571 PolarHBondContact O-N 3.37Å; L571-I574 HydrophobicContact CD2-CD1 4.05Å
572K62.3Low55.3Low154 Ų154122.6 Ų122.667%0.6765%0.647SS**G310 helixtrans-88.4-16.5175.9-67.2166.2-174.8148.40113.5E568 E569 Q570E568-K572 WeakPolarHBondContact O-CD 3.32Å; E568-K572 VanDerWaalsContact O-CE 3.29Å; E568-K572 WeakPolarHBondContact O-CE 3.4Å; E568-K572 PolarHBondContact O-NZ 3.26Å; E569-K572 WeakPolarHBondContact O-CB 3.31Å; E569-K572 PolarHBondContact O-N 2.76Å; Q570-K572 PolarHBondContact O-N 3.18Å
573E61.7Low54.7Low159 Ų159120.2 Ų120.274%0.74365%0.649SS**SBendtrans-87.8-5.2-179.6-63.1-168.8130.700113.4Q570 P575Q570-E573 PolarHBondContact O-N 3.47Å; E573-P575 VanDerWaalsContact O-CD 3.26Å; E573-P575 WeakPolarHBondContact O-CD 3.35Å
574I55Low54.1Low101 Ų101124 Ų12452%0.51867%0.665SS.*SBendtrans-65.9114.1178-56.4177.4000109.7L571 Y576L571-I574 HydrophobicContact CD2-CD1 4.05Å; I574-Y576 PolarHBondContact O-N 2.77Å
575P50Low53.8Low117 Ų117124.9 Ų124.976%0.7667%0.668SS**  trans-76.6115.6-173.229.9-33.8000111.3E573E573-P575 VanDerWaalsContact O-CD 3.26Å; E573-P575 WeakPolarHBondContact O-CD 3.35Å
576Y50Low52.9Low206 Ų206127.5 Ų127.581%0.80867%0.668SS**  trans-91.8125.7175.167.7-89.7000111.7I574I574-Y576 PolarHBondContact O-N 2.77Å
577T51.2Low51.8Low126 Ų126134.4 Ų134.477%0.77369%0.689SS**  trans-87.1111.1171.5-43.80000109.8I579T577-I579 PolarHBondContact O-N 3.5Å; T577-I579 VanDerWaalsContact O-N 3.09Å
578K46.3Very low50.1Low154 Ų154138.4 Ų138.467%0.6771%0.705SS**  trans-75.796.8177.2-167.8-164.3-171.9-166.70110.7E580K578-E580 HydrophobicContact CD-CG 4.31Å; K578-E580 WeakPolarHBondContact CE-OE1 3.11Å; K578-E580 HydrophobicContact CG-CG 4.44Å; K578-E580 IonicContact NZ-OE1 3.85Å; K578-E580 PolarHBondContact NZ-OE1 2.87Å; K578-E580 PolarHBondContact O-N 2.75Å
579I42.6Very low48.5Very low141 Ų141141.5 Ų141.572%0.72371%0.71SS**  trans-84111.3174.3-57174.7000109.3T577 T581T577-I579 PolarHBondContact O-N 3.5Å; T577-I579 VanDerWaalsContact O-N 3.09Å; I579-T581 HydrophobicContact CG2-CG2 4.37Å
580E43.3Very low46.9Very low130 Ų130142 Ų14261%0.60771%0.712SS**  trans-98117.9171.5-68.8-169.9169.800111K578K578-E580 HydrophobicContact CD-CG 4.31Å; K578-E580 WeakPolarHBondContact CE-OE1 3.11Å; K578-E580 HydrophobicContact CG-CG 4.44Å; K578-E580 IonicContact NZ-OE1 3.85Å; K578-E580 PolarHBondContact NZ-OE1 2.87Å; K578-E580 PolarHBondContact O-N 2.75Å
581T45.7Very low45.7Very low121 Ų121142.6 Ų142.674%0.74273%0.728SS**  trans-98.7118.5174.657.50000110.9I579 G583I579-T581 HydrophobicContact CG2-CG2 4.37Å; T581-G583 PolarHBondContact O-N 3.12Å; T581-G583 VanDerWaalsContact O-N 3.07Å
582Q41.6Very low44.3Very low188 Ų188147.5 Ų147.588%0.87975%0.748SS**  trans-71.996.1173.6-68.2-69.7-1900110.4
583G44.8Very low42.8Very low64 Ų64145.3 Ų145.366%0.6675%0.752SS**  trans-168.7143178.200000113.5T581T581-G583 PolarHBondContact O-N 3.12Å; T581-G583 VanDerWaalsContact O-N 3.07Å
584D43.8Very low41.5Very low157 Ų157143.9 Ų143.984%0.8476%0.757SS**  trans-66.7139.2-171.6-76-43.3000114.1V586D584-V586 PolarHBondContact O-N 2.67Å
585P46.3Very low40.3Very low123 Ų123149.9 Ų149.980%0.79977%0.773SS**  trans-71.9111-178.527.8-34.3000112.9R587P585-R587 PolarHBondContact O-N 3.36Å
586V38.2Very low39.4Very low137 Ų137149.3 Ų149.383%0.8377%0.772SS**  trans-67.9102.7179.9-179.70000111.7D584 I588D584-V586 PolarHBondContact O-N 2.67Å; V586-I588 PolarHBondContact O-N 2.78Å; V586-I588 VanDerWaalsContact O-N 3.17Å
587R40.1Very low38.4Very low209 Ų209150.4 Ų150.479%0.78978%0.776SS**  trans-79.899.3-176.5-144.2177.196.8-16910.5112.9P585 R589P585-R587 PolarHBondContact O-N 3.36Å; R587-R589 PolarHBondContact O-N 3.01Å
588I35.5Very low37.4Very low137 Ų137155 Ų15570%0.70378%0.779SS**  trans-56.5132.8174.3-60.3174.4000110.4V586V586-I588 PolarHBondContact O-N 2.78Å; V586-I588 VanDerWaalsContact O-N 3.17Å
589R32.8Very low36.7Very low221 Ų221156.4 Ų156.483%0.83479%0.788SS**  trans-108.9105.6174.9-68.1-171.4-178.2-159.21.5110.6R587 S591R587-R589 PolarHBondContact O-N 3.01Å; R589-S591 PolarHBondContact O-N 2.63Å
590H33.3Very low35.8Very low163 Ų163160.9 Ų160.976%0.75580%0.798SS**  trans-70.6119.6165.1-65.3-81.6000109.7
591S32.8Very low35.3Very low114 Ų114166 Ų16680%0.79781%0.811SS**  trans-97.9119.9172.2530000109.7R589R589-S591 PolarHBondContact O-N 2.63Å
592H33.2Very low34.5Very low175 Ų175172 Ų17281%0.8182%0.82SS**  trans-108.6119.1171.1-71.6-8.3000109.3
593S30.1Very low33.8Very low108 Ų108167.4 Ų167.476%0.75581%0.809SS**  trans-109.7109.2179.5-1690000109.4R595S593-R595 PolarHBondContact O-N 2.69Å; S593-R595 VanDerWaalsContact O-N 3.09Å
594P34.5Very low33.1Very low130 Ų130172.8 Ų172.884%0.84482%0.817SS**  trans-77.199.3-178.129.7-33.3000110.7
595R31.2Very low32.3Very low226 Ų226170.4 Ų170.485%0.85381%0.812SS**  trans-97.1113.2166.6-86-166.5175.1-165.21111.3S593S593-R595 PolarHBondContact O-N 2.69Å; S593-R595 VanDerWaalsContact O-N 3.09Å
596S30.3Very low31.5Very low106 Ų106169.3 Ų169.374%0.74181%0.807SS**  trans32.5107.1143.359.10000118.4
597Y28.3Very low31.1Very low228 Ų228170.7 Ų170.789%0.89481%0.81SS**  trans-107.9136.1148.3-135.4-95.8000109.6
598R30.2Very low30.5Very low223 Ų223164.2 Ų164.284%0.84281%0.808SS**  trans-101.6140.4172-99-170.4174.8-164.8-0.4109.7
599Q31.1Very low30.3Very low184 Ų184166.2 Ų166.286%0.8681%0.814SS**  trans-28138.9173.5-61.7162.8-54.400116.2
600Y25.4Very low30.1Very low235 Ų235166 Ų16692%0.92281%0.813SS**  trans-114.6155145.2-115.6-96.5000109.7
601R32.2Very low29.8Very low237 Ų237164 Ų16489%0.89482%0.818SS**  trans-112.4128.4178.7-101-173172.4-170.6-1.4110
602R27.9Very low29.8Very low246 Ų246163.5 Ų163.593%0.92881%0.81SS**  trans157.1152.9153.3-93176.9-178.6-165.3-0.1106.6
603S27.6Very low29.6Very low92 Ų92163.5 Ų163.564%0.64382%0.815SS**  cis159.1136.8-28.550.70000105.8
604Q31.1Very low29.6Very low177 Ų177164 Ų16483%0.82782%0.818SS**  trans80.6112.6170.5-55.7-113.810.300118.9
605C26.6Very low29.5Very low108 Ų108166.9 Ų166.973%0.7382%0.821SS**  80.7155.3124.2-64.60000125
606S29.3Very low29.5Very low99 Ų99162.3 Ų162.369%0.69282%0.818SS**  trans58110167.254.90000120.4
607D29.8Very low29.4Very low167 Ų167165 Ų16589%0.89382%0.824SS**  49.6138.1119.7-46.1-46.5000121.6
608G28.1Very low29.6Very low73 Ų73159.7 Ų159.775%0.75382%0.82SS**  trans160.777.1172.400000116.2
609E30.8Very low29.7Very low179 Ų179158.9 Ų158.984%0.83682%0.823SS**  trans37.2113.9151.4-56.2-142.6110.400122.6
610R28.2Very low29.9Very low215 Ų215155.9 Ų155.981%0.81182%0.817SS**  49.5111.4115.6-158.2-178.5-159.6-170.15.1119.2V612R610-V612 HydrophobicContact CG-CG2 4.46Å
611S28Very low30.1Very low122 Ų122151.6 Ų151.685%0.85381%0.81SS**  trans-121.1132.4148.1-173.40000110.2
612V32Very low30.2Very low104 Ų104148.8 Ų148.863%0.6381%0.812SS**  trans-89.5134.8178.9177.30000108.8R610R610-V612 HydrophobicContact CG-CG2 4.46Å
613L29.2Very low30.6Very low174 Ų174143.3 Ų143.391%0.91181%0.805SS**  trans169.674.3148.5-95.3170.9000111.7
614S29.4Very low31.1Very low118 Ų118144 Ų14483%0.82581%0.807SS**  trans-164.877.916264.50000113.4
615E32.1Very low31.3Very low192 Ų192141.5 Ų141.590%0.89781%0.807SS**  trans-127.1174.5162.8-69.4-162.3141.700110.3
616V31.8Very low31.6Very low130 Ų130142.2 Ų142.279%0.78880%0.802SS**SBendtrans70.169.4-172.4-163.30000114.7
617N29.1Very low31.8Very low163 Ų163143.5 Ų143.587%0.87281%0.809SS**  -173.9111.6109.4-103.3-26.2000111.9
618S32Very low32Very low116 Ų116140.5 Ų140.581%0.81180%0.796SS**  trans-153.877.6-177.559.60000113.7
619K31.9Very low32.5Very low206 Ų206143.5 Ų143.590%0.89680%0.8SS**  trans-168.5136159.3-104.5164-177.9176.20106.1
620T34.8Very low32.7Very low120 Ų120146.4 Ų146.474%0.73680%0.803SS**  cis-125-1487.148.30000111.7
621D29.7Very low33.1Very low146 Ų146141.9 Ų141.978%0.78181%0.805SS**  trans79.979.3161.7-59.115.8000117.1
622L34.2Very low33.5Very low178 Ų178141.3 Ų141.393%0.93280%0.801SS**  trans-91.2130.7156.1-67.6172.4000109.7
623V37.3Very low33.6Very low130 Ų130144.3 Ų144.379%0.78881%0.813SS**  trans-129.2131.4161179.80000106.3
624P37.2Very low33.7Very low107 Ų107140.5 Ų140.570%0.69581%0.807SS**PPolyproline II helixtrans-64.2153.8-178.226.5-35.1000111.8
625P35.7Very low33.9Very low125 Ų125144.3 Ų144.381%0.81281%0.812SS**PPolyproline II helixtrans-61.8140177.726.9-34.5000111.1
626L33.7Very low33.6Very low122 Ų122139.1 Ų139.164%0.63981%0.81SS**PPolyproline II helixtrans-60.1138.9170.2-67.9172.1000109.7V628L626-V628 PolarHBondContact O-N 3.41Å
627P32.5Very low33.6Very low127 Ų127139.1 Ų139.183%0.82582%0.815SS**  trans-68.5108.2178.927.5-33.6000110.3
628V35.2Very low33.5Very low103 Ų103134.7 Ų134.762%0.62481%0.808SS**  trans-113.6108.9167.8-1790000107L626 R630L626-V628 PolarHBondContact O-N 3.41Å; V628-R630 PolarHBondContact O-N 3.06Å
629T37.8Very low33.4Very low137 Ų137136.7 Ų136.784%0.8481%0.81SS**PPolyproline II helixtrans-67.8120.7-177.844.20000110.9
630R35.7Very low33.3Very low240 Ų240130.9 Ų130.991%0.90680%0.8SS**PPolyproline II helixtrans-70.4137.8163.6-77.3179.9164.1169.9-5.4109.5V628V628-R630 PolarHBondContact O-N 3.06Å
631S35.5Very low33.1Very low120 Ų120131 Ų13184%0.83980%0.801SS**PPolyproline II helixtrans-90.9133.4169.943.90000111.1
632S36.1Very low33.1Very low110 Ų110129.7 Ų129.777%0.76980%0.798SS**  trans-163.4118.2168.753.40000109.5
633D34Very low33Very low166 Ų166129.3 Ų129.389%0.88879%0.791SS**  trans-81.7139.1176.2-55.1-77.6000111.7
634A32.3Very low32.7Very low94 Ų94131.7 Ų131.778%0.77779%0.793SS**  trans174.2140.1136.200000113.6
635Q32.5Very low32.4Very low199 Ų199137.7 Ų137.793%0.9380%0.802SS**  trans-29.7145.3171.1-64151.2-61.200119.2
636G27.4Very low32.1Very low83 Ų83143.3 Ų143.386%0.85681%0.807SS**  trans176.9110.6163.900000115.4
637S30.4Very low31.9Very low129 Ų129145.7 Ų145.790%0.90282%0.821SS**  trans-57.3156.3-179.150.50000119.4
638G28.2Very low31.7Very low70 Ų70142.9 Ų142.972%0.72281%0.814SS**  trans133.6125.914300000117.6
639D29.1Very low31.6Very low159 Ų159143.8 Ų143.885%0.8583%0.825SS**  trans37.7130.2154.5-60.6-17.3000121.1
640A29.8Very low31.3Very low84 Ų84144.8 Ų144.869%0.69482%0.818SS**  63.7128.964.700000112.2
641T30.1Very low31Very low123 Ų123138.8 Ų138.876%0.75580%0.804SS**  cis-157.6149.731.848.50000115.2
642V31.1Very low30.8Very low117 Ų117137.2 Ų137.271%0.70979%0.793SS**  61.2116.6129.2178.90000122.9
643H30.4Very low30.5Very low171 Ų171139.8 Ų139.879%0.79280%0.797SS**  trans60.4165.8147.3-67.1-22.1000119.8
644Q32Very low30.4Very low179 Ų179138.6 Ų138.684%0.83679%0.788SS**  cis-143.5167.211.4-150.3167.758.700113.6
645R29.9Very low30.3Very low233 Ų233141.9 Ų141.988%0.87979%0.787SS**  trans-83.3152.9176-62.6171.2170.6171.2-4.9112.6
646R30.6Very low30.1Very low244 Ų244141.5 Ų141.592%0.92179%0.786SS**  -161.7146.2121.1-120173.1176167.5-1.6113.8
647N30.1Very low30.4Very low172 Ų172145.7 Ų145.792%0.9278%0.78SS**  trans-115.8152.3170.9-73.11.5000109.7
648G28Very low31Very low67 Ų67145.5 Ų145.569%0.69178%0.776SS**  trans163.3123.9167.800000108.7
649S31.6Very low31.1Very low122 Ų122149.6 Ų149.685%0.85378%0.776SS**  71.3131.561-70.50000112.6
650K31.7Very low31.1Very low159 Ų159149.7 Ų149.769%0.69178%0.775SS**  cis-171.7168.7-8.4-157.6174.5155.1-72.90108.2
651D29.4Very low31.1Very low114 Ų114150.9 Ų150.961%0.6178%0.778SS**  trans66.5163.7159-60.7-47.7000117.9
652S31.3Very low32.2Very low87 Ų87149.9 Ų149.961%0.60877%0.774SS**  cis-173.3149.2-34.8-92.40000110.1
653L31.6Very low32.3Very low163 Ų163151 Ų15185%0.85378%0.776SS**  trans63166.9151.7-68.8168.3000117.3
654M31.8Very low32.4Very low141 Ų141149.2 Ų149.270%0.69577%0.772SS**  cis-128.1148.5-13.6-74.4-155.281.100108.7
655E30Very low32.5Very low164 Ų164148 Ų14877%0.76677%0.77SS**  57.3117.995.3-158.7170.8-129.800118.2
656E27.6Very low32.5Very low191 Ų191141.9 Ų141.989%0.89377%0.77SS**  -167.3163.3127.2-124.3-170.7-178.800113.8
657K32.9Very low32.6Very low171 Ų171133.9 Ų133.974%0.74376%0.763SS**  trans-158.2145175.7-151.4-169.1-175.8-172.90107.6
658P44.3Very low32.8Very low125 Ų125134.6 Ų134.681%0.81276%0.758SS**  -146.1-134.5100.238.3-20000113.8
659Q30.3Very low33.1Very low155 Ų155138.7 Ų138.772%0.72476%0.759SS**  trans-162.9152.4-148.7175.1-177.8-6.100110.8
660I27.8Very low33.1Very low162 Ų162140.2 Ų140.283%0.83176%0.763SS**  trans161.2153.9143.4-83.8156.8000112.1
661S30.4Very low33.2Very low108 Ų108137.2 Ų137.276%0.75577%0.768SS**  trans-100.8-156.2-173.9-41.90000111.5
662P54.3Low33.4Very low102 Ų102141.5 Ų141.566%0.66278%0.781SS**  cis-140.1-166-7.842-21.4000116.3
663N32Very low33.3Very low141 Ų141142.8 Ų142.875%0.75479%0.786SS**  trans74.4150.7151.4-76-10000120.6
664N32.6Very low33.4Very low133 Ų133142.2 Ų142.271%0.71178%0.782SS**  cis-169.7173.5-23.7-144.9-29.2000113.3
665L34.6Very low33.3Very low153 Ų153145 Ų14580%0.80179%0.79SS**  trans94.2146.2148.4-115.976.2000125.7
666A30.2Very low33.4Very low106 Ų106143.1 Ų143.188%0.87679%0.79SS**  trans67.3145.2169.200000118.8
667G32.6Very low33.5Very low76 Ų76141.7 Ų141.778%0.78479%0.787SS**  cis172.9173.5-3.600000109.6
668K34.2Very low33.3Very low186 Ų186142 Ų14281%0.80979%0.791SS**  cis-162.6152-7.1-114.9-173.5170.8-177.60111.4
669H34.3Very low32.7Very low154 Ų154140.9 Ų140.971%0.71379%0.792SS**  trans16.5141.2162.5-48.4-67.8000125.8
670T32Very low32.7Very low153 Ų153139 Ų13994%0.93980%0.796SS**  -164.9166.510220.20000111.6
671A33.4Very low33Very low96 Ų96142.7 Ų142.779%0.79380%0.8SS**  trans-148.6162.5-169.900000114.3
672K32.5Very low33.2Very low204 Ų204145.8 Ų145.889%0.88781%0.807SS**  trans-170.8171.8164.5-107.3161.9-173.6177.60111.3
673T30.4Very low32.6Very low114 Ų114149.3 Ų149.370%0.69981%0.812SS**  -154126-93.7-77.80000111.9
674I32.5Very low32.9Very low152 Ų152148.5 Ų148.578%0.77981%0.812SS**  trans37.1125149.3-53.3167.1000120
675K30.2Very low33.3Very low198 Ų198150.1 Ų150.186%0.86182%0.816SS**  -169.2141.2119.5-106.8176.2-173.8-177.20115.1
676T31.8Very low33.9Very low125 Ų125153.4 Ų153.477%0.76784%0.842SS**  trans-116.6147.8170.7-54.60000108.5
677I29.8Very low34.1Very low162 Ų162155.8 Ų155.883%0.83184%0.84SS**  trans-146.6153.5163.5-98.4158000108.9
678Q29.3Very low34.1Very low177 Ų177159.9 Ų159.983%0.82784%0.843SS**  trans-120.6171.3178-72.4-177-65.800111.9
679A31.1Very low34.1Very low101 Ų101158.5 Ų158.584%0.83585%0.845SS**  trans75.9160162.200000116.1
680S30.6Very low34.1Very low115 Ų115158.8 Ų158.880%0.80485%0.853SS**  cis-144.7174.29.261.50000114.3
681R34.8Very low34.3Very low241 Ų241159.1 Ų159.191%0.90985%0.848SS**  trans-57.2158.5166.5-83.7175.3165.4170-4.8112.9
682L35Very low34.3Very low172 Ų172163.3 Ų163.390%0.90185%0.851SS**  trans-145.4164.4134.9-109.6172.6000111.7
683K40.7Very low34.5Very low176 Ų176160.4 Ų160.477%0.76585%0.849SS**  trans-138140.5-178.7-114.5-161.3174.5-1590108.1
684T38.8Very low34.8Very low124 Ų124164 Ų16476%0.76186%0.86SS**  trans174.3117.9144.520.80000105.8
685E41.3Very low35Very low168 Ų168165 Ų16579%0.78587%0.867SS**  73102.177.7-73.1-179.2177.300114.2
686T46.1Very low35.4Very low221 Ų221162 Ų162100%1.35687%0.867SS**  -149.10126.6-20.50000108.5

Retrieved 686 of 686 residues in 3339.9 ms (Link to these results)

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