A0A3Q0KK21_SCHMA Loading...

Putative phd finger protein

AlphaFold DB , UniProt , Accession A0A3Q0KK21, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 503 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
1M39.7Very low56.3Low228 Ų228141.9 Ų141.9100%1.12369%0.692SS**  0110.70-75.9-78.5161.900108.7R3M1-R3 PolarHBondContact O-N 3.17Å; M1-R3 VanDerWaalsContact O-N 3.17Å
2P44.5Very low58.5Low126 Ų126137.9 Ų137.982%0.81868%0.682SS**  trans-62.4120.3173.325.2-29.7000108.5K4P2-K4 PolarHBondContact O-N 3.15Å; P2-K4 VanDerWaalsContact O-N 3.15Å
3R46.6Very low60.9Low246 Ų246127.5 Ų127.593%0.92863%0.631SS**  trans-54.3120.2177.6-78.1-177173.8-171.2-1.8108.7M1 K5M1-R3 PolarHBondContact O-N 3.17Å; M1-R3 VanDerWaalsContact O-N 3.17Å; R3-K5 PolarHBondContact O-N 3.5Å
4K55.5Low63.2Low183 Ų183118.4 Ų118.480%0.79659%0.587SS**  trans-57113.4172.2-76.5177.4179.6172.70107.5P2 S6P2-K4 PolarHBondContact O-N 3.15Å; P2-K4 VanDerWaalsContact O-N 3.15Å; K4-S6 PolarHBondContact O-N 3.2Å
5K54.1Low65.2Low195 Ų195112 Ų11285%0.84856%0.555SS**  trans-60121.4173.6-74-177.3178.5179.10108.4R3R3-K5 PolarHBondContact O-N 3.5Å
6S58.5Low67Low112 Ų112105.8 Ų105.878%0.78352%0.524SS*.  trans-54.3140.6177.6-57.70000111K4 K8K4-S6 PolarHBondContact O-N 3.2Å; S6-K8 PolarHBondContact O-N 3.03Å; S6-K8 VanDerWaalsContact O-N 3.07Å
7L60.9Low68.5Low43 Ų43100.2 Ų100.223%0.22550%0.497CS..  trans-70.4103.3176.3-70.7155.3000108.8L9 L71 R75 R78L7-L9 HydrophobicContact CB-CD1 4.5Å; L7-L9 PolarHBondContact O-N 3.41Å; L7-L9 VanDerWaalsContact O-N 3.08Å; L7-L71 HydrophobicContact CD1-CB 4.26Å; L7-L71 HydrophobicContact CD1-CD2 3.8Å; L7-R75 HydrophobicContact CD1-CG 3.9Å; L7-R75 HydrophobicContact CD2-CG 3.56Å; L7-R75 HydrophobicContact CG-CG 3.99Å; L7-R78 VanDerWaalsContact CD2-NE 3.26Å
8K61.4Low69.7Low194 Ų19498.8 Ų98.884%0.84350%0.499SS*.  trans-61.9109.2160.2-69.6-169.5179.8-172.90108.3S6 R78S6-K8 PolarHBondContact O-N 3.03Å; S6-K8 VanDerWaalsContact O-N 3.07Å; K8-R78 PolarHBondContact O-NH2 2.84Å; K8-R78 VanDerWaalsContact O-NH2 3.14Å
9L64.6Low70.4Confident69 Ų6997.3 Ų97.336%0.36149%0.49SS..  trans-90.8129.5176.4-133.377.2000108L7 I15 F35 L74L7-L9 HydrophobicContact CB-CD1 4.5Å; L7-L9 PolarHBondContact O-N 3.41Å; L7-L9 VanDerWaalsContact O-N 3.08Å; L9-I15 HydrophobicContact CD2-CG2 4.18Å; L9-I15 HydrophobicContact CG-CG2 4.27Å; L9-F35 HydrophobicContact CD1-CE1 4.29Å; L9-F35 HydrophobicContact CD2-CD1 3.46Å; L9-F35 VanDerWaalsContact CD2-CD1 3.46Å; L9-F35 HydrophobicContact CD2-CE1 3.36Å; L9-F35 HydrophobicContact CD2-CG 4.41Å; L9-F35 HydrophobicContact CD2-CZ 4.27Å; L9-F35 HydrophobicContact CG-CE1 4.44Å; L9-L74 HydrophobicContact CD1-CD1 4.16Å
10N64.6Low70.9Confident77 Ų7796.7 Ų96.741%0.41249%0.491SS..  trans-81.8129.2168.7-173.417.6000107.9T12N10-T12 PolarHBondContact ND2-OG1 2.98Å; N10-T12 VanDerWaalsContact ND2-OG1 3.09Å; N10-T12 PolarHBondContact OD1-N 2.66Å; N10-T12 PolarHBondContact OD1-OG1 3.4Å; N10-T12 VanDerWaalsContact OD1-OG1 3.06Å
11N69Low71.1Confident88 Ų8897.6 Ų97.647%0.47150%0.497SS..  trans-105.52.8-178.7-159.229.6000113G34 K36N11-G34 PolarHBondContact OD1-O 3.3Å; N11-G34 VanDerWaalsContact OD1-O 3.07Å; N11-K36 WeakPolarHBondContact O-CD 3.27Å; N11-K36 VanDerWaalsContact O-CE 3.26Å; N11-K36 WeakPolarHBondContact O-CE 3.45Å
12T83.1Confident72.4Confident94 Ų9493.2 Ų93.258%0.57747%0.474SS*.SBendtrans-85.4-23.1-178.861.80000113.6N10 V20N10-T12 PolarHBondContact ND2-OG1 2.98Å; N10-T12 VanDerWaalsContact ND2-OG1 3.09Å; N10-T12 PolarHBondContact OD1-N 2.66Å; N10-T12 PolarHBondContact OD1-OG1 3.4Å; N10-T12 VanDerWaalsContact OD1-OG1 3.06Å; T12-V20 WeakPolarHBondContact O-CG2 3.09Å
13G88.8Confident73.9Confident2 Ų291 Ų912%0.02145%0.45CS..SBendtrans-149.5-173.4-178.800000111.4I15G13-I15 PolarHBondContact O-N 3.11Å
14C93.8Very high75.7Confident1 Ų181.8 Ų81.81%0.00742%0.422CS..  trans-58.3128.3-177.1171.80000112.3F16 C17 S18 E19 K36 H38C14-F16 PolarHBondContact O-N 3.28Å; C14-F16 VanDerWaalsContact O-N 3.08Å; C14-C17 VanDerWaalsContact CB-SG 3.54Å; C14-C17 PolarHBondContact O-N 2.64Å; C14-C17 VanDerWaalsContact SG-SG 3.64Å; C14-S18 WeakPolarHBondContact O-CA 3.45Å; C14-S18 PolarHBondContact O-N 3.2Å; C14-E19 PolarHBondContact N-O 3.3Å; C14-K36 CarbonylContact C-O 3.59Å; C14-K36 VanDerWaalsContact CA-O 3.26Å; C14-K36 WeakPolarHBondContact CA-O 3.32Å; C14-H38 WeakPolarHBondContact CB-ND1 3.42Å; C14-H38 PolarHBondContact SG-N 3.46Å; C14-H38 VanDerWaalsContact SG-N 3.37Å; C14-H38 PolarHBondContact SG-ND1 3.21Å; C14-H38 VanDerWaalsContact SG-ND1 3.4Å
15I93.3Very high77.4Confident22 Ų2273.6 Ų73.611%0.11339%0.387CS..THydrogen-bonded Turntrans-60.6-22.5-17862.9-175.1000114.4L9 G13 F35 K36 V37 I70 L74L9-I15 HydrophobicContact CD2-CG2 4.18Å; L9-I15 HydrophobicContact CG-CG2 4.27Å; G13-I15 PolarHBondContact O-N 3.11Å; I15-F35 HydrophobicContact CD1-CB 4.17Å; I15-F35 HydrophobicContact CD1-CD1 3.64Å; I15-F35 HydrophobicContact CD1-CG 4.28Å; I15-F35 HydrophobicContact CG2-CD1 4.2Å; I15-K36 WeakPolarHBondContact CG2-O 3.5Å; I15-K36 PolarHBondContact N-O 3.46Å; I15-V37 HydrophobicContact CD1-CB 4.29Å; I15-V37 HydrophobicContact CG1-CB 4.24Å; I15-V37 HydrophobicContact CG1-CG2 4.41Å; I15-I70 HydrophobicContact CD1-CG2 4.03Å; I15-L74 HydrophobicContact CB-CD1 4.44Å; I15-L74 HydrophobicContact CD1-CD1 4.14Å; I15-L74 HydrophobicContact CG1-CD1 4.46Å; I15-L74 HydrophobicContact CG1-CD2 4.46Å
16F94.3Very high79.3Confident12 Ų1264.6 Ų64.65%0.05335%0.348CS..THydrogen-bonded Turntrans-90.4-45.6-179.6-74.9-79.5000113.2C14 V37 C41 I42 A45 L48 I70 E73 L74 C91 H104C14-F16 PolarHBondContact O-N 3.28Å; C14-F16 VanDerWaalsContact O-N 3.08Å; F16-V37 HydrophobicContact CD2-CG2 3.61Å; F16-V37 HydrophobicContact CE2-CG2 3.85Å; F16-C41 HydrophobicContact CB-CB 3.99Å; F16-C41 HydrophobicContact CD2-CB 4.41Å; F16-C41 HydrophobicContact CG-CB 4.46Å; F16-I42 HydrophobicContact CE2-CB 3.96Å; F16-I42 HydrophobicContact CE2-CG1 4.12Å; F16-I42 HydrophobicContact CZ-CG1 4.44Å; F16-A45 HydrophobicContact CD1-CB 4.38Å; F16-A45 HydrophobicContact CE1-CB 3.84Å; F16-A45 HydrophobicContact CZ-CB 4.27Å; F16-L48 HydrophobicContact CZ-CD1 3.99Å; F16-I70 HydrophobicContact CE2-CG2 4.42Å; F16-I70 HydrophobicContact CZ-CG2 4.15Å; F16-E73 HydrophobicContact CE1-CG 3.99Å; F16-L74 HydrophobicContact CD1-CD2 3.83Å; F16-L74 HydrophobicContact CE1-CD2 3.78Å; F16-L74 HydrophobicContact CE1-CG 4.44Å; F16-L74 HydrophobicContact CG-CD2 4.33Å; F16-L74 HydrophobicContact CZ-CD2 4.24Å; F16-C91 HydrophobicContact CD1-CB 4.03Å; F16-C91 HydrophobicContact CE1-CB 4.3Å; F16-H104 PolarHBondContact O-CD2 3.22Å; F16-H104 VanDerWaalsContact O-CD2 3.32Å
17C92.5Very high80.8Confident11 Ų1159.4 Ų59.47%0.07431%0.312CS..THydrogen-bonded Turntrans-109.4-11.1-174.268.70000114.4C14 E19 H38 H104 P106C14-C17 VanDerWaalsContact CB-SG 3.54Å; C14-C17 PolarHBondContact O-N 2.64Å; C14-C17 VanDerWaalsContact SG-SG 3.64Å; C17-E19 HydrophobicContact CB-CG 4.37Å; C17-E19 PolarHBondContact O-N 2.98Å; C17-H38 PolarHBondContact SG-ND1 2.94Å; C17-H38 VanDerWaalsContact SG-ND1 3.36Å; C17-H104 HydrophobicContact CB-CB 4.32Å; C17-P106 HydrophobicContact CB-CG 3.58Å
18S88.6Confident82.2Confident76 Ų7659.9 Ų59.953%0.53132%0.318SS..  trans63.75.3-175.4-52.70000115.9C14C14-S18 WeakPolarHBondContact O-CA 3.45Å; C14-S18 PolarHBondContact O-N 3.2Å
19E84.6Confident83.7Confident70 Ų7052.4 Ų52.433%0.32729%0.287SS..  trans-79.1145.5173.8-55.6-73.9-171.600110.2C14 C17 H38 P106 K110C14-E19 PolarHBondContact N-O 3.3Å; C17-E19 HydrophobicContact CB-CG 4.37Å; C17-E19 PolarHBondContact O-N 2.98Å; E19-H38 PolarHBondContact O-CE1 3.42Å; E19-P106 HydrophobicContact CG-CG 4.09Å; E19-K110 IonicContact OE1-NZ 2.73Å
20V80.2Confident84.9Confident85 Ų8551.2 Ų51.252%0.51528%0.28SS..  trans-95.8-25.8177.4-170.90000111.4T12 I29T12-V20 WeakPolarHBondContact O-CG2 3.09Å; V20-I29 WeakPolarHBondContact O-CD1 3.23Å
21D74.3Confident86.2Confident116 Ų11652 Ų5262%0.6228%0.282SS*.SBendtrans-72.8138.5-169.4-60.6-24000112.4Y23 H38D21-Y23 PolarHBondContact O-N 3.17Å; D21-H38 PolarHBondContact O-NE2 2.95Å
22E67.7Low87.1Confident135 Ų13550.9 Ų50.963%0.63127%0.273SS*.  trans-75.8114.1164.4-64.6-170.5166.200108.8I29E22-I29 HydrophobicContact CG-CD1 4.05Å; E22-I29 HydrophobicContact CG-CG1 4.19Å
23Y75.6Confident87.1Confident81 Ų8150.2 Ų50.232%0.31827%0.265SS..BIsolated β-bridgetrans-118.6130.1176.3-171.9-122.2000108D21 L25 L26 G27 N303D21-Y23 PolarHBondContact O-N 3.17Å; Y23-L25 HydrophobicContact CD1-CB 3.71Å; Y23-L25 HydrophobicContact CD1-CD1 4.44Å; Y23-L25 HydrophobicContact CD1-CG 4.37Å; Y23-L25 HydrophobicContact CE1-CB 3.69Å; Y23-L25 HydrophobicContact CE1-CD1 3.56Å; Y23-L25 HydrophobicContact CE1-CG 3.92Å; Y23-L25 PolarHBondContact O-N 3.05Å; Y23-L26 HydrophobicContact CD1-CG 4.19Å; Y23-L26 WeakPolarHBondContact O-CA 3.45Å; Y23-L26 PolarHBondContact O-N 3.42Å; Y23-G27 PolarHBondContact O-N 3.07Å; Y23-G27 VanDerWaalsContact O-N 3.13Å; Y23-N303 VanDerWaalsContact OH-CG 3.29Å; Y23-N303 PolarHBondContact OH-ND2 3.04Å; Y23-N303 VanDerWaalsContact OH-ND2 3.08Å; Y23-N303 PolarHBondContact OH-OD1 2.89Å
24P84.8Confident86.8Confident52 Ų5252.6 Ų52.634%0.33829%0.29SS..THydrogen-bonded Turntrans-52.7-30.9-174.9-30.335.3000114.1A306P24-A306 HydrophobicContact CB-CB 3.83Å
25L91.3Very high86.6Confident11 Ų1153.4 Ų53.46%0.05829%0.293CS..THydrogen-bonded Turntrans-78.7-21.9177.1-65.6171.7000114.3Y23 N40 I109 R302 N303 A306 I337Y23-L25 HydrophobicContact CD1-CB 3.71Å; Y23-L25 HydrophobicContact CD1-CD1 4.44Å; Y23-L25 HydrophobicContact CD1-CG 4.37Å; Y23-L25 HydrophobicContact CE1-CB 3.69Å; Y23-L25 HydrophobicContact CE1-CD1 3.56Å; Y23-L25 HydrophobicContact CE1-CG 3.92Å; Y23-L25 PolarHBondContact O-N 3.05Å; L25-N40 PolarHBondContact O-ND2 3.12Å; L25-I109 HydrophobicContact CB-CD1 3.94Å; L25-I109 HydrophobicContact CD1-CG2 3.91Å; L25-R302 HydrophobicContact CD1-CG 4.04Å; L25-R302 HydrophobicContact CD2-CG 3.97Å; L25-N303 VanDerWaalsContact CD1-OD1 3.3Å; L25-N303 WeakPolarHBondContact CD1-OD1 3.41Å; L25-A306 HydrophobicContact CD2-CB 3.52Å; L25-A306 HydrophobicContact CG-CB 4.02Å; L25-I337 HydrophobicContact CD2-CD1 3.78Å
26L93.7Very high86.6Confident5 Ų554.9 Ų54.93%0.02630%0.299CS..THydrogen-bonded Turntrans-85.6-17.1172.6-59.4-177.8000111.9Y23 H38 N40 L105 P106 I109Y23-L26 HydrophobicContact CD1-CG 4.19Å; Y23-L26 WeakPolarHBondContact O-CA 3.45Å; Y23-L26 PolarHBondContact O-N 3.42Å; L26-H38 HydrophobicContact CB-CB 4.02Å; L26-H38 WeakPolarHBondContact O-CB 3.38Å; L26-N40 WeakPolarHBondContact O-CB 3.34Å; L26-N40 PolarHBondContact O-N 2.68Å; L26-L105 HydrophobicContact CD2-CB 4.24Å; L26-L105 HydrophobicContact CD2-CD2 3.8Å; L26-L105 HydrophobicContact CD2-CG 3.82Å; L26-P106 HydrophobicContact CD1-CB 4.34Å; L26-P106 HydrophobicContact CD2-CB 4.17Å; L26-P106 HydrophobicContact CD2-CG 4.49Å; L26-I109 HydrophobicContact CD2-CD1 4Å
27G90.7Very high86.5Confident4 Ų454.4 Ų54.44%0.04130%0.297CS..BIsolated β-bridgetrans75.3175-173.800000112.4Y23Y23-G27 PolarHBondContact O-N 3.07Å; Y23-G27 VanDerWaalsContact O-N 3.13Å
28P90Very high86.6Confident52 Ų5253.9 Ų53.934%0.33829%0.293SS..  trans-65.3153.7-177.226.7-33.1000111.5T39P28-T39 PolarHBondContact O-N 3.44Å; P28-T39 PolarHBondContact O-OG1 2.77Å
29I91.6Very high86.9Confident37 Ų3750.5 Ų50.519%0.1927%0.269CS..EExtended strand (participates in β ladder)trans-82.7129.4173-66.1173.8000108.9V20 E22 E31 K36 V37 H38V20-I29 WeakPolarHBondContact O-CD1 3.23Å; E22-I29 HydrophobicContact CG-CD1 4.05Å; E22-I29 HydrophobicContact CG-CG1 4.19Å; I29-E31 HydrophobicContact CG2-CG 4.34Å; I29-K36 HydrophobicContact CG2-CB 4.27Å; I29-V37 WeakPolarHBondContact CA-O 3.47Å; I29-H38 WeakPolarHBondContact CG1-CD2 3.38Å
30I90.4Very high87.5Confident44 Ų4447.2 Ų47.223%0.22625%0.254CS..EExtended strand (participates in β ladder)trans-105.9129.8174.4-62.1171.6000108.4K32 K36 V37 T39 L63I30-K32 HydrophobicContact CG2-CB 4.42Å; I30-K36 WeakPolarHBondContact O-CA 3.47Å; I30-V37 HydrophobicContact CB-CG1 4.31Å; I30-V37 PolarHBondContact N-O 3.41Å; I30-V37 PolarHBondContact O-N 3.02Å; I30-T39 WeakPolarHBondContact CD1-OG1 3.34Å; I30-L63 HydrophobicContact CD1-CD1 3.34Å; I30-L63 HydrophobicContact CD1-CD2 3.55Å; I30-L63 HydrophobicContact CD1-CG 3.54Å
31E91.4Very high88.2Confident94 Ų9443.3 Ų43.344%0.43923%0.23SC..EExtended strand (participates in β ladder)trans-110.4106.6173.7-55.8-162.7175.300109.8I29 F35 K36I29-E31 HydrophobicContact CG2-CG 4.34Å; E31-F35 VanDerWaalsContact CA-O 3.31Å; E31-F35 WeakPolarHBondContact CA-O 3.39Å; E31-K36 HydrophobicContact CG-CD 4.3Å; E31-K36 HydrophobicContact CG-CG 4.01Å; E31-K36 VanDerWaalsContact OE1-CD 3.28Å; E31-K36 WeakPolarHBondContact OE1-CD 3.4Å; E31-K36 WeakPolarHBondContact OE1-CE 3.31Å; E31-K36 IonicContact OE1-NZ 2.67Å; E31-K36 PolarHBondContact OE1-NZ 3.16Å; E31-K36 IonicContact OE2-NZ 3.03Å
32K88.5Confident89.2Confident65 Ų6537.8 Ų37.828%0.28320%0.201SC..EExtended strand (participates in β ladder)trans-144.9137.5178-173.8169.7-179.4-173.70110I30 G34 F35 P58 F61 I62I30-K32 HydrophobicContact CG2-CB 4.42Å; K32-G34 PolarHBondContact O-N 3.02Å; K32-F35 PolarHBondContact N-O 2.93Å; K32-F35 VanDerWaalsContact N-O 3.1Å; K32-F35 WeakPolarHBondContact O-CB 3.45Å; K32-F35 WeakPolarHBondContact O-CD2 3.31Å; K32-F35 PolarHBondContact O-N 3.43Å; K32-P58 PolarHBondContact NZ-O 3.27Å; K32-F61 WeakPolarHBondContact CD-O 3.38Å; K32-F61 VanDerWaalsContact CE-O 3.27Å; K32-F61 WeakPolarHBondContact CE-O 3.44Å; K32-F61 PolarHBondContact NZ-O 3.41Å; K32-I62 HydrophobicContact CB-CD1 4.47Å; K32-I62 HydrophobicContact CB-CG1 4.3Å; K32-I62 HydrophobicContact CD-CG1 4.28Å; K32-I62 HydrophobicContact CG-CG1 4.34Å
33N82.3Confident90.6Very high80 Ų8032.1 Ų32.143%0.42817%0.174SC..THydrogen-bonded Turntrans53.333.2-179.4-60.217.7000114.7F35 D59N33-F35 HydrophobicContact CB-CD2 3.87Å; N33-F35 HydrophobicContact CB-CE2 4.09Å; N33-F35 VanDerWaalsContact O-CD2 3.29Å; N33-F35 WeakPolarHBondContact O-CD2 3.47Å; N33-F35 PolarHBondContact O-N 3.19Å; N33-D59 PolarHBondContact ND2-O 2.91Å
34G84.4Confident91.6Very high51 Ų5128.3 Ų28.353%0.52616%0.159SC..THydrogen-bonded Turntrans71.311.4-176.100000114.5N11 K32N11-G34 PolarHBondContact OD1-O 3.3Å; N11-G34 VanDerWaalsContact OD1-O 3.07Å; K32-G34 PolarHBondContact O-N 3.02Å
35F88.6Confident92.2Very high19 Ų1926 Ų268%0.08314%0.144CC..EExtended strand (participates in β ladder)trans-96.7133.9169.1-61.8-87.5000109.4L9 I15 E31 K32 N33 I62 V67 L71L9-F35 HydrophobicContact CD1-CE1 4.29Å; L9-F35 HydrophobicContact CD2-CD1 3.46Å; L9-F35 VanDerWaalsContact CD2-CD1 3.46Å; L9-F35 HydrophobicContact CD2-CE1 3.36Å; L9-F35 HydrophobicContact CD2-CG 4.41Å; L9-F35 HydrophobicContact CD2-CZ 4.27Å; L9-F35 HydrophobicContact CG-CE1 4.44Å; I15-F35 HydrophobicContact CD1-CB 4.17Å; I15-F35 HydrophobicContact CD1-CD1 3.64Å; I15-F35 HydrophobicContact CD1-CG 4.28Å; I15-F35 HydrophobicContact CG2-CD1 4.2Å; E31-F35 VanDerWaalsContact CA-O 3.31Å; E31-F35 WeakPolarHBondContact CA-O 3.39Å; K32-F35 PolarHBondContact N-O 2.93Å; K32-F35 VanDerWaalsContact N-O 3.1Å; K32-F35 WeakPolarHBondContact O-CB 3.45Å; K32-F35 WeakPolarHBondContact O-CD2 3.31Å; K32-F35 PolarHBondContact O-N 3.43Å; N33-F35 HydrophobicContact CB-CD2 3.87Å; N33-F35 HydrophobicContact CB-CE2 4.09Å; N33-F35 VanDerWaalsContact O-CD2 3.29Å; N33-F35 WeakPolarHBondContact O-CD2 3.47Å; N33-F35 PolarHBondContact O-N 3.19Å; F35-I62 HydrophobicContact CB-CD1 4.01Å; F35-I62 HydrophobicContact CD2-CD1 3.73Å; F35-I62 HydrophobicContact CG-CD1 4.04Å; F35-V67 HydrophobicContact CE2-CG1 3.76Å; F35-V67 HydrophobicContact CZ-CG1 3.91Å; F35-L71 HydrophobicContact CE1-CD2 3.92Å; F35-L71 HydrophobicContact CZ-CD2 3.96Å; F35-L71 HydrophobicContact CZ-CG 4.41Å
36K92.5Very high92.4Very high52 Ų5228.7 Ų28.723%0.22617%0.165CC..EExtended strand (participates in β ladder)trans-103.8126.5163.5-55.9-161.6179.6-151.40109N11 C14 I15 I29 I30 E31N11-K36 WeakPolarHBondContact O-CD 3.27Å; N11-K36 VanDerWaalsContact O-CE 3.26Å; N11-K36 WeakPolarHBondContact O-CE 3.45Å; C14-K36 CarbonylContact C-O 3.59Å; C14-K36 VanDerWaalsContact CA-O 3.26Å; C14-K36 WeakPolarHBondContact CA-O 3.32Å; I15-K36 WeakPolarHBondContact CG2-O 3.5Å; I15-K36 PolarHBondContact N-O 3.46Å; I29-K36 HydrophobicContact CG2-CB 4.27Å; I30-K36 WeakPolarHBondContact O-CA 3.47Å; E31-K36 HydrophobicContact CG-CD 4.3Å; E31-K36 HydrophobicContact CG-CG 4.01Å; E31-K36 VanDerWaalsContact OE1-CD 3.28Å; E31-K36 WeakPolarHBondContact OE1-CD 3.4Å; E31-K36 WeakPolarHBondContact OE1-CE 3.31Å; E31-K36 IonicContact OE1-NZ 2.67Å; E31-K36 PolarHBondContact OE1-NZ 3.16Å; E31-K36 IonicContact OE2-NZ 3.03Å
37V93.3Very high92.3Very high2 Ų230.6 Ų30.61%0.01219%0.186CC..EExtended strand (participates in β ladder)trans-147.2132.9-177.459.60000111.9I15 F16 I29 I30 T39 I42 I62I15-V37 HydrophobicContact CD1-CB 4.29Å; I15-V37 HydrophobicContact CG1-CB 4.24Å; I15-V37 HydrophobicContact CG1-CG2 4.41Å; F16-V37 HydrophobicContact CD2-CG2 3.61Å; F16-V37 HydrophobicContact CE2-CG2 3.85Å; I29-V37 WeakPolarHBondContact CA-O 3.47Å; I30-V37 HydrophobicContact CB-CG1 4.31Å; I30-V37 PolarHBondContact N-O 3.41Å; I30-V37 PolarHBondContact O-N 3.02Å; V37-T39 PolarHBondContact O-N 2.82Å; V37-I42 HydrophobicContact CG2-CB 3.79Å; V37-I42 HydrophobicContact CG2-CG2 4.1Å; V37-I62 HydrophobicContact CG1-CG2 4.2Å
38H95.2Very high92.5Very high0 Ų031.6 Ų31.60%019%0.19CC..EExtended strand (participates in β ladder)trans-67.8131.8166-63112.5000110C14 C17 E19 D21 L26 I29 N40 C41 I42C14-H38 WeakPolarHBondContact CB-ND1 3.42Å; C14-H38 PolarHBondContact SG-N 3.46Å; C14-H38 VanDerWaalsContact SG-N 3.37Å; C14-H38 PolarHBondContact SG-ND1 3.21Å; C14-H38 VanDerWaalsContact SG-ND1 3.4Å; C17-H38 PolarHBondContact SG-ND1 2.94Å; C17-H38 VanDerWaalsContact SG-ND1 3.36Å; E19-H38 PolarHBondContact O-CE1 3.42Å; D21-H38 PolarHBondContact O-NE2 2.95Å; L26-H38 HydrophobicContact CB-CB 4.02Å; L26-H38 WeakPolarHBondContact O-CB 3.38Å; I29-H38 WeakPolarHBondContact CG1-CD2 3.38Å; H38-N40 VanDerWaalsContact C-N 3.28Å; H38-N40 PolarHBondContact O-N 3.43Å; H38-C41 HydrophobicContact CB-CB 3.91Å; H38-C41 WeakPolarHBondContact O-CB 3.35Å; H38-C41 PolarHBondContact O-N 2.65Å; H38-I42 PolarHBondContact O-N 2.71Å
39T94.4Very high92.6Very high5 Ų532.7 Ų32.73%0.03120%0.199CC..Hα-helixtrans-49.3-46.3179.7-61.80000112.6P28 I30 V37 C41 I42 F43 L63 W338P28-T39 PolarHBondContact O-N 3.44Å; P28-T39 PolarHBondContact O-OG1 2.77Å; I30-T39 WeakPolarHBondContact CD1-OG1 3.34Å; V37-T39 PolarHBondContact O-N 2.82Å; T39-C41 PolarHBondContact O-N 3.36Å; T39-I42 WeakPolarHBondContact O-CG2 3.43Å; T39-F43 HydrophobicContact CG2-CD2 3.93Å; T39-F43 HydrophobicContact CG2-CE2 3.29Å; T39-F43 HydrophobicContact CG2-CZ 3.95Å; T39-F43 WeakPolarHBondContact O-CD2 3.38Å; T39-F43 WeakPolarHBondContact O-CG 3.44Å; T39-F43 PolarHBondContact O-N 2.95Å; T39-L63 HydrophobicContact CG2-CD1 3.97Å; T39-W338 HydrophobicContact CG2-CH2 3.6Å; T39-W338 HydrophobicContact CG2-CZ2 3.63Å; T39-W338 HydrophobicContact CG2-CZ3 4.23Å
40N96Very high92.5Very high2 Ų233.9 Ų33.91%0.01120%0.203CC..Hα-helixtrans-77.9-24.8-179.1-62.9-11.5000112.9L25 L26 H38 I42 F43 A44 L105 F117 W338L25-N40 PolarHBondContact O-ND2 3.12Å; L26-N40 WeakPolarHBondContact O-CB 3.34Å; L26-N40 PolarHBondContact O-N 2.68Å; H38-N40 VanDerWaalsContact C-N 3.28Å; H38-N40 PolarHBondContact O-N 3.43Å; N40-I42 VanDerWaalsContact C-N 3.33Å; N40-F43 PolarHBondContact O-N 3.05Å; N40-A44 VanDerWaalsContact O-CB 3.23Å; N40-A44 WeakPolarHBondContact O-CB 3.29Å; N40-A44 PolarHBondContact O-N 3.09Å; N40-L105 VanDerWaalsContact C-CD2 3.4Å; N40-L105 HydrophobicContact CB-CD2 3.68Å; N40-L105 WeakPolarHBondContact O-CD2 3.31Å; N40-F117 HydrophobicContact CB-CE1 3.55Å; N40-F117 HydrophobicContact CB-CZ 3.56Å; N40-W338 VanDerWaalsContact OD1-CD2 3.27Å
41C96.1Very high92.1Very high2 Ų234.2 Ų34.21%0.01421%0.208CC..Hα-helixtrans-65-38.9176.6-790000111.6F16 H38 T39 A45 L105F16-C41 HydrophobicContact CB-CB 3.99Å; F16-C41 HydrophobicContact CD2-CB 4.41Å; F16-C41 HydrophobicContact CG-CB 4.46Å; H38-C41 HydrophobicContact CB-CB 3.91Å; H38-C41 WeakPolarHBondContact O-CB 3.35Å; H38-C41 PolarHBondContact O-N 2.65Å; T39-C41 PolarHBondContact O-N 3.36Å; C41-A45 PolarHBondContact O-N 3.1Å; C41-L105 HydrophobicContact CB-CD2 4.48Å
42I95.5Very high91Very high1 Ų135.1 Ų35.11%0.00522%0.215CC..Hα-helixtrans-72.8-42.2176.3-173.1171.8000111.3F16 V37 H38 T39 N40 A44 A45 L48 I62 L63 F65 I70F16-I42 HydrophobicContact CE2-CB 3.96Å; F16-I42 HydrophobicContact CE2-CG1 4.12Å; F16-I42 HydrophobicContact CZ-CG1 4.44Å; V37-I42 HydrophobicContact CG2-CB 3.79Å; V37-I42 HydrophobicContact CG2-CG2 4.1Å; H38-I42 PolarHBondContact O-N 2.71Å; T39-I42 WeakPolarHBondContact O-CG2 3.43Å; N40-I42 VanDerWaalsContact C-N 3.33Å; I42-A44 VanDerWaalsContact C-N 3.33Å; I42-A44 PolarHBondContact O-N 2.95Å; I42-A45 WeakPolarHBondContact O-CB 3.45Å; I42-A45 PolarHBondContact O-N 3.15Å; I42-L48 HydrophobicContact CD1-CD1 4.39Å; I42-L48 HydrophobicContact CG1-CD1 3.61Å; I42-I62 HydrophobicContact CD1-CG2 4.35Å; I42-L63 HydrophobicContact CG2-CD1 3.56Å; I42-F65 HydrophobicContact CD1-CB 4.19Å; I42-F65 HydrophobicContact CD1-CD2 3.52Å; I42-F65 HydrophobicContact CD1-CE2 4.2Å; I42-F65 HydrophobicContact CD1-CG 4.11Å; I42-F65 HydrophobicContact CG1-CD2 3.66Å; I42-F65 HydrophobicContact CG1-CE2 3.88Å; I42-F65 HydrophobicContact CG1-CG 4.29Å; I42-I70 HydrophobicContact CD1-CD1 3.67Å; I42-I70 HydrophobicContact CD1-CG1 4.12Å
43F95.8Very high89.8Confident15 Ų1535.2 Ų35.27%0.06622%0.222CC..Hα-helixtrans-60.6-40.1175.1-64.5-36.6000112.8T39 N40 A45 L63 F65 F117 F121 W338T39-F43 HydrophobicContact CG2-CD2 3.93Å; T39-F43 HydrophobicContact CG2-CE2 3.29Å; T39-F43 HydrophobicContact CG2-CZ 3.95Å; T39-F43 WeakPolarHBondContact O-CD2 3.38Å; T39-F43 WeakPolarHBondContact O-CG 3.44Å; T39-F43 PolarHBondContact O-N 2.95Å; N40-F43 PolarHBondContact O-N 3.05Å; F43-A45 VanDerWaalsContact C-N 3.28Å; F43-A45 PolarHBondContact O-N 2.95Å; F43-L63 HydrophobicContact CE1-CB 4.1Å; F43-L63 HydrophobicContact CE1-CD1 4.17Å; F43-L63 HydrophobicContact CZ-CB 4.39Å; F43-L63 HydrophobicContact CZ-CD1 3.95Å; F43-L63 HydrophobicContact CZ-CD2 4.47Å; F43-F65 AromaticContact CD1-CE2 3.6Å; F43-F65 HydrophobicContact CD1-CE2 3.6Å; F43-F65 AromaticContact CD1-CZ 3.92Å; F43-F65 HydrophobicContact CD1-CZ 3.92Å; F43-F65 AromaticContact CE1-CE2 3.83Å; F43-F65 HydrophobicContact CE1-CE2 3.83Å; F43-F65 HydrophobicContact CE1-CZ 4.46Å; F43-F117 HydrophobicContact CB-CD1 4.08Å; F43-F117 HydrophobicContact CB-CE1 4.18Å; F43-F117 HydrophobicContact CD2-CD1 4.49Å; F43-F121 HydrophobicContact CB-CD1 4.36Å; F43-F121 HydrophobicContact CB-CD2 4.02Å; F43-F121 HydrophobicContact CB-CE1 4.47Å; F43-F121 HydrophobicContact CB-CE2 4.17Å; F43-F121 HydrophobicContact CB-CG 4.11Å; F43-F121 HydrophobicContact CB-CZ 4.38Å; F43-F121 AromaticContact CD1-CE2 3.92Å; F43-F121 HydrophobicContact CD1-CE2 3.92Å; F43-F121 HydrophobicContact CD1-CZ 4.02Å; F43-F121 HydrophobicContact CG-CE2 4.3Å; F43-F121 HydrophobicContact CG-CZ 4.24Å; F43-F121 WeakPolarHBondContact O-CB 3.36Å; F43-F121 VanDerWaalsContact O-CD2 3.23Å; F43-F121 WeakPolarHBondContact O-CD2 3.35Å; F43-F121 WeakPolarHBondContact O-CG 3.34Å; F43-W338 AromaticContact CE2-CE2 3.99Å; F43-W338 HydrophobicContact CE2-CZ2 4.01Å; F43-W338 AromaticContact CE2-NE1 3.83Å
44A97Very high89.1Confident1 Ų140.3 Ų40.31%0.00824%0.243CC..THydrogen-bonded Turntrans-76.6-8.1-178.900000114.5N40 I42 S46 V92 L105 T115N40-A44 VanDerWaalsContact O-CB 3.23Å; N40-A44 WeakPolarHBondContact O-CB 3.29Å; N40-A44 PolarHBondContact O-N 3.09Å; I42-A44 VanDerWaalsContact C-N 3.33Å; I42-A44 PolarHBondContact O-N 2.95Å; A44-S46 PolarHBondContact O-N 2.91Å; A44-V92 HydrophobicContact CB-CG1 4.29Å; A44-V92 HydrophobicContact CB-CG2 3.89Å; A44-L105 HydrophobicContact CB-CD1 3.94Å; A44-L105 HydrophobicContact CB-CD2 4.26Å; A44-T115 HydrophobicContact CB-CG2 3.97Å
45A97.1Very high88.2Confident3 Ų345.1 Ų45.13%0.02526%0.257CS..  trans-71.9112.4-177.500000110.7F16 C41 I42 F43 G47 L48 E73 C91F16-A45 HydrophobicContact CD1-CB 4.38Å; F16-A45 HydrophobicContact CE1-CB 3.84Å; F16-A45 HydrophobicContact CZ-CB 4.27Å; C41-A45 PolarHBondContact O-N 3.1Å; I42-A45 WeakPolarHBondContact O-CB 3.45Å; I42-A45 PolarHBondContact O-N 3.15Å; F43-A45 VanDerWaalsContact C-N 3.28Å; F43-A45 PolarHBondContact O-N 2.95Å; A45-G47 PolarHBondContact O-N 2.87Å; A45-G47 VanDerWaalsContact O-N 3.1Å; A45-L48 HydrophobicContact CB-CD1 3.85Å; A45-L48 HydrophobicContact CB-CG 4.02Å; A45-L48 PolarHBondContact O-N 3.18Å; A45-L48 VanDerWaalsContact O-N 3.09Å; A45-E73 HydrophobicContact CB-CG 4.11Å; A45-C91 HydrophobicContact CB-CB 4.2Å
46S95.1Very high87.2Confident69 Ų6949 Ų4948%0.48328%0.275SS..THydrogen-bonded Turntrans-68.5-16.9-164.9-48.10000115A44 C91 G93A44-S46 PolarHBondContact O-N 2.91Å; S46-C91 PolarHBondContact N-O 2.77Å; S46-C91 VanDerWaalsContact N-O 3.15Å; S46-C91 PolarHBondContact OG-O 3.37Å; S46-G93 PolarHBondContact OG-N 3.18Å
47G93.4Very high86.4Confident45 Ų4548.9 Ų48.946%0.46428%0.281SS..THydrogen-bonded Turntrans-966.6177.300000114.4A45 E73A45-G47 PolarHBondContact O-N 2.87Å; A45-G47 VanDerWaalsContact O-N 3.1Å; G47-E73 VanDerWaalsContact CA-OE2 3.31Å; G47-E73 WeakPolarHBondContact CA-OE2 3.28Å; G47-E73 PolarHBondContact N-OE1 3.21Å
48L94.5Very high85.6Confident24 Ų2453.6 Ų53.613%0.12631%0.311CS..  trans-100.2145.9176.4-64.2-175.5000112F16 I42 A45 F65 S69 I70 E73F16-L48 HydrophobicContact CZ-CD1 3.99Å; I42-L48 HydrophobicContact CD1-CD1 4.39Å; I42-L48 HydrophobicContact CG1-CD1 3.61Å; A45-L48 HydrophobicContact CB-CD1 3.85Å; A45-L48 HydrophobicContact CB-CG 4.02Å; A45-L48 PolarHBondContact O-N 3.18Å; A45-L48 VanDerWaalsContact O-N 3.09Å; L48-F65 HydrophobicContact CB-CD1 3.65Å; L48-F65 HydrophobicContact CB-CE1 3.59Å; L48-F65 HydrophobicContact CB-CZ 4.49Å; L48-F65 HydrophobicContact CD1-CD1 4.23Å; L48-F65 HydrophobicContact CD1-CG 4.37Å; L48-F65 HydrophobicContact CG-CD1 4.42Å; L48-S69 WeakPolarHBondContact CD2-O 3.26Å; L48-I70 HydrophobicContact CD1-CG1 4.33Å; L48-I70 HydrophobicContact CD2-CG1 4.45Å; L48-E73 HydrophobicContact CD2-CB 3.57Å; L48-E73 HydrophobicContact CD2-CG 4.07Å; L48-E73 HydrophobicContact CG-CB 4.03Å; L48-E73 HydrophobicContact CG-CG 3.93Å
49S90.8Very high84.9Confident76 Ų7658.5 Ų58.553%0.53134%0.338SS..  trans-136.4132.1172.956.20000108.5
50Q89.5Confident84.4Confident61 Ų6162.2 Ų62.229%0.28536%0.357SS..  trans-68.9140.2173.5-65.3179.9-61.900109.6L63 G64 F65Q50-L63 PolarHBondContact NE2-O 3.16Å; Q50-G64 WeakPolarHBondContact CA-O 3.37Å; Q50-F65 HydrophobicContact CB-CE1 4.35Å; Q50-F65 HydrophobicContact CG-CD1 3.9Å; Q50-F65 HydrophobicContact CG-CD2 4.29Å; Q50-F65 HydrophobicContact CG-CE1 3.4Å; Q50-F65 VanDerWaalsContact CG-CE1 3.4Å; Q50-F65 HydrophobicContact CG-CE2 3.82Å; Q50-F65 HydrophobicContact CG-CG 4.34Å; Q50-F65 HydrophobicContact CG-CZ 3.37Å
51T82.4Confident84.1Confident52 Ų5263.2 Ų63.232%0.31936%0.362SS..  trans-119129.3-179.946.90000109.2T53 F61 G64T51-T53 PolarHBondContact O-N 3.07Å; T51-F61 VanDerWaalsContact OG1-CE1 3.23Å; T51-F61 WeakPolarHBondContact OG1-CE1 3.5Å; T51-G64 PolarHBondContact N-O 2.94Å
52N68.2Low83.8Confident112 Ų11263.2 Ų63.260%0.59936%0.362SS*.  trans-98.250.5-178.4-62.7-13.2000111E54N52-E54 PolarHBondContact O-N 2.97Å
53T64.3Low83.5Confident68 Ų6865.7 Ų65.742%0.41738%0.375SS..  trans-90.6108.7-179.4-380000109.3T51 N55 E56T51-T53 PolarHBondContact O-N 3.07Å; T53-N55 PolarHBondContact O-N 3.1Å; T53-E56 HydrophobicContact CG2-CG 4.16Å
54E67.5Low83.2Confident187 Ų18766.3 Ų66.387%0.87439%0.385SS*.THydrogen-bonded Turntrans-68.1-11.1-178.9-63.9175.2176.800113.8N52N52-E54 PolarHBondContact O-N 2.97Å
55N65.7Low82.9Confident152 Ų15266.3 Ų66.381%0.81339%0.385SS*.THydrogen-bonded Turntrans-106.810-168.9-64.6-23.2000114.7T53T53-N55 PolarHBondContact O-N 3.1Å
56E67.3Low82.7Confident99 Ų9966.7 Ų66.746%0.46339%0.388SS..SBendtrans-109.6151.1-179.4-64.7-174-155.200111.2T53 F61T53-E56 HydrophobicContact CG2-CG 4.16Å; E56-F61 HydrophobicContact CB-CE2 3.42Å; E56-F61 VanDerWaalsContact CB-CE2 3.42Å; E56-F61 HydrophobicContact CB-CZ 3.89Å; E56-F61 HydrophobicContact CG-CE2 4.38Å; E56-F61 HydrophobicContact CG-CZ 4.41Å; E56-F61 WeakPolarHBondContact OE2-CE2 3.26Å; E56-F61 WeakPolarHBondContact OE2-CZ 3.45Å
57S74.6Confident82.5Confident50 Ų5064.5 Ų64.535%0.3537%0.372SS..  trans-60.8134.5-174.285.20000110D59 D60 F61S57-D59 PolarHBondContact O-N 3.21Å; S57-D60 PolarHBondContact O-N 3.08Å; S57-D60 PolarHBondContact OG-N 3.17Å; S57-D60 PolarHBondContact OG-OD2 3.47Å; S57-F61 WeakPolarHBondContact O-CD2 3.19Å
58P76.6Confident82.4Confident101 Ų10165.9 Ų65.966%0.65637%0.374SS*.G310 helixtrans-55.8-26.7179.2-26.534.1000112.9K32 D60 F61K32-P58 PolarHBondContact NZ-O 3.27Å; P58-D60 VanDerWaalsContact C-N 3.32Å; P58-F61 PolarHBondContact O-N 3.31Å
59D80.6Confident82.4Confident103 Ų10366.5 Ų66.555%0.55138%0.38SS*.G310 helixtrans-70.2-27179.5-66.5-27.4000112.4N33 S57 F61N33-D59 PolarHBondContact ND2-O 2.91Å; S57-D59 PolarHBondContact O-N 3.21Å; D59-F61 PolarHBondContact O-N 3.22Å; D59-F61 VanDerWaalsContact O-N 3.12Å
60D85.2Confident82.6Confident84 Ų8462.9 Ų62.945%0.44936%0.355SS..G310 helixtrans-75.2-0.1178.8-69.1-46000114S57 P58 A66 V67S57-D60 PolarHBondContact O-N 3.08Å; S57-D60 PolarHBondContact OG-N 3.17Å; S57-D60 PolarHBondContact OG-OD2 3.47Å; P58-D60 VanDerWaalsContact C-N 3.32Å; D60-A66 CarbonylContact O-C 3.57Å; D60-A66 WeakPolarHBondContact O-CA 3.43Å; D60-V67 VanDerWaalsContact O-CG2 3.31Å; D60-V67 WeakPolarHBondContact O-CG2 3.21Å; D60-V67 PolarHBondContact O-N 2.66Å
61F88.7Confident82.8Confident23 Ų2362.3 Ų62.310%0.10135%0.353CS..EExtended strand (participates in β ladder)trans-124142.5-176-66.1-89.4000113.9K32 T51 E56 S57 P58 D59 F65 A66K32-F61 WeakPolarHBondContact CD-O 3.38Å; K32-F61 VanDerWaalsContact CE-O 3.27Å; K32-F61 WeakPolarHBondContact CE-O 3.44Å; K32-F61 PolarHBondContact NZ-O 3.41Å; T51-F61 VanDerWaalsContact OG1-CE1 3.23Å; T51-F61 WeakPolarHBondContact OG1-CE1 3.5Å; E56-F61 HydrophobicContact CB-CE2 3.42Å; E56-F61 VanDerWaalsContact CB-CE2 3.42Å; E56-F61 HydrophobicContact CB-CZ 3.89Å; E56-F61 HydrophobicContact CG-CE2 4.38Å; E56-F61 HydrophobicContact CG-CZ 4.41Å; E56-F61 WeakPolarHBondContact OE2-CE2 3.26Å; E56-F61 WeakPolarHBondContact OE2-CZ 3.45Å; S57-F61 WeakPolarHBondContact O-CD2 3.19Å; P58-F61 PolarHBondContact O-N 3.31Å; D59-F61 PolarHBondContact O-N 3.22Å; D59-F61 VanDerWaalsContact O-N 3.12Å; F61-F65 WeakPolarHBondContact CA-O 3.23Å; F61-A66 HydrophobicContact CD1-CB 4.25Å; F61-A66 HydrophobicContact CE1-CB 3.76Å; F61-A66 HydrophobicContact CZ-CB 4.34Å
62I90.1Very high83.4Confident2 Ų263.6 Ų63.61%0.0136%0.359CS..EExtended strand (participates in β ladder)trans-125117.3168.3-54.9176.9000106.9K32 F35 V37 I42 G64 F65 V67 I70K32-I62 HydrophobicContact CB-CD1 4.47Å; K32-I62 HydrophobicContact CB-CG1 4.3Å; K32-I62 HydrophobicContact CD-CG1 4.28Å; K32-I62 HydrophobicContact CG-CG1 4.34Å; F35-I62 HydrophobicContact CB-CD1 4.01Å; F35-I62 HydrophobicContact CD2-CD1 3.73Å; F35-I62 HydrophobicContact CG-CD1 4.04Å; V37-I62 HydrophobicContact CG1-CG2 4.2Å; I42-I62 HydrophobicContact CD1-CG2 4.35Å; I62-G64 PolarHBondContact O-N 3.11Å; I62-F65 PolarHBondContact N-O 2.93Å; I62-F65 WeakPolarHBondContact O-CB 3.21Å; I62-F65 WeakPolarHBondContact O-CD2 3.44Å; I62-F65 PolarHBondContact O-N 3.4Å; I62-V67 HydrophobicContact CD1-CG2 4.13Å; I62-V67 HydrophobicContact CG1-CG2 4.07Å; I62-I70 HydrophobicContact CB-CD1 3.89Å; I62-I70 HydrophobicContact CD1-CD1 4.07Å; I62-I70 HydrophobicContact CG1-CD1 4.24Å
63L88.8Confident84.7Confident53 Ų5358.5 Ų58.528%0.27733%0.331SS..THydrogen-bonded Turntrans52.336.7-178.5-66.1175.7000114.7I30 T39 I42 F43 Q50 F65I30-L63 HydrophobicContact CD1-CD1 3.34Å; I30-L63 HydrophobicContact CD1-CD2 3.55Å; I30-L63 HydrophobicContact CD1-CG 3.54Å; T39-L63 HydrophobicContact CG2-CD1 3.97Å; I42-L63 HydrophobicContact CG2-CD1 3.56Å; F43-L63 HydrophobicContact CE1-CB 4.1Å; F43-L63 HydrophobicContact CE1-CD1 4.17Å; F43-L63 HydrophobicContact CZ-CB 4.39Å; F43-L63 HydrophobicContact CZ-CD1 3.95Å; F43-L63 HydrophobicContact CZ-CD2 4.47Å; Q50-L63 PolarHBondContact NE2-O 3.16Å; L63-F65 VanDerWaalsContact C-N 3.28Å; L63-F65 HydrophobicContact CB-CD2 4.2Å; L63-F65 HydrophobicContact CB-CE2 4.43Å; L63-F65 WeakPolarHBondContact O-CD2 3.45Å; L63-F65 PolarHBondContact O-N 3.23Å
64G89.7Confident86.2Confident27 Ų2756.1 Ų56.128%0.27832%0.316SS..THydrogen-bonded Turntrans78.85.5-177.900000114.9Q50 T51 I62Q50-G64 WeakPolarHBondContact CA-O 3.37Å; T51-G64 PolarHBondContact N-O 2.94Å; I62-G64 PolarHBondContact O-N 3.11Å
65F91.9Very high87.5Confident2 Ų252.4 Ų52.41%0.00929%0.294CS..EExtended strand (participates in β ladder)trans-103.2127.3173.4-57.3-81.4000110.8I42 F43 L48 Q50 F61 I62 L63 V67 I70 F121I42-F65 HydrophobicContact CD1-CB 4.19Å; I42-F65 HydrophobicContact CD1-CD2 3.52Å; I42-F65 HydrophobicContact CD1-CE2 4.2Å; I42-F65 HydrophobicContact CD1-CG 4.11Å; I42-F65 HydrophobicContact CG1-CD2 3.66Å; I42-F65 HydrophobicContact CG1-CE2 3.88Å; I42-F65 HydrophobicContact CG1-CG 4.29Å; F43-F65 AromaticContact CD1-CE2 3.6Å; F43-F65 HydrophobicContact CD1-CE2 3.6Å; F43-F65 AromaticContact CD1-CZ 3.92Å; F43-F65 HydrophobicContact CD1-CZ 3.92Å; F43-F65 AromaticContact CE1-CE2 3.83Å; F43-F65 HydrophobicContact CE1-CE2 3.83Å; F43-F65 HydrophobicContact CE1-CZ 4.46Å; L48-F65 HydrophobicContact CB-CD1 3.65Å; L48-F65 HydrophobicContact CB-CE1 3.59Å; L48-F65 HydrophobicContact CB-CZ 4.49Å; L48-F65 HydrophobicContact CD1-CD1 4.23Å; L48-F65 HydrophobicContact CD1-CG 4.37Å; L48-F65 HydrophobicContact CG-CD1 4.42Å; Q50-F65 HydrophobicContact CB-CE1 4.35Å; Q50-F65 HydrophobicContact CG-CD1 3.9Å; Q50-F65 HydrophobicContact CG-CD2 4.29Å; Q50-F65 HydrophobicContact CG-CE1 3.4Å; Q50-F65 VanDerWaalsContact CG-CE1 3.4Å; Q50-F65 HydrophobicContact CG-CE2 3.82Å; Q50-F65 HydrophobicContact CG-CG 4.34Å; Q50-F65 HydrophobicContact CG-CZ 3.37Å; F61-F65 WeakPolarHBondContact CA-O 3.23Å; I62-F65 PolarHBondContact N-O 2.93Å; I62-F65 WeakPolarHBondContact O-CB 3.21Å; I62-F65 WeakPolarHBondContact O-CD2 3.44Å; I62-F65 PolarHBondContact O-N 3.4Å; L63-F65 VanDerWaalsContact C-N 3.28Å; L63-F65 HydrophobicContact CB-CD2 4.2Å; L63-F65 HydrophobicContact CB-CE2 4.43Å; L63-F65 WeakPolarHBondContact O-CD2 3.45Å; L63-F65 PolarHBondContact O-N 3.23Å; F65-V67 PolarHBondContact O-N 3.45Å; F65-I70 HydrophobicContact CB-CD1 4.12Å; F65-I70 HydrophobicContact CB-CG1 4.06Å; F65-F121 HydrophobicContact CZ-CE2 4.41Å
66A91.7Very high88.9Confident11 Ų1149.5 Ų49.59%0.09127%0.271CS..EExtended strand (participates in β ladder)trans-60133.7174.300000110.8D60 F61 S68 S69 I70D60-A66 CarbonylContact O-C 3.57Å; D60-A66 WeakPolarHBondContact O-CA 3.43Å; F61-A66 HydrophobicContact CD1-CB 4.25Å; F61-A66 HydrophobicContact CE1-CB 3.76Å; F61-A66 HydrophobicContact CZ-CB 4.34Å; A66-S68 PolarHBondContact O-N 3.03Å; A66-S68 VanDerWaalsContact O-N 3.16Å; A66-S69 WeakPolarHBondContact O-CA 3.03Å; A66-S69 WeakPolarHBondContact O-CB 3.44Å; A66-S69 PolarHBondContact O-N 3.2Å; A66-I70 PolarHBondContact O-N 3.14Å
67V91.9Very high90.2Very high23 Ų2344.8 Ų44.814%0.13925%0.249CC..Hα-helixtrans-55.5-35.4177.5170.80000111F35 D60 I62 F65 S69 I70 L71F35-V67 HydrophobicContact CE2-CG1 3.76Å; F35-V67 HydrophobicContact CZ-CG1 3.91Å; D60-V67 VanDerWaalsContact O-CG2 3.31Å; D60-V67 WeakPolarHBondContact O-CG2 3.21Å; D60-V67 PolarHBondContact O-N 2.66Å; I62-V67 HydrophobicContact CD1-CG2 4.13Å; I62-V67 HydrophobicContact CG1-CG2 4.07Å; F65-V67 PolarHBondContact O-N 3.45Å; V67-S69 PolarHBondContact O-N 2.66Å; V67-I70 PolarHBondContact O-N 3.29Å; V67-L71 HydrophobicContact CG1-CD1 4.19Å; V67-L71 HydrophobicContact CG1-CG 4.44Å; V67-L71 WeakPolarHBondContact O-CG 3.34Å; V67-L71 PolarHBondContact O-N 3.13Å
68S91.6Very high91.1Very high74 Ų7447.6 Ų47.652%0.51725%0.252SS..Hα-helixtrans-60.6-41.6174.865.10000112.8A66 L71 N72A66-S68 PolarHBondContact O-N 3.03Å; A66-S68 VanDerWaalsContact O-N 3.16Å; S68-L71 PolarHBondContact O-N 3.28Å; S68-N72 PolarHBondContact O-N 3.18Å; S68-N72 PolarHBondContact O-ND2 3.35Å
69S94Very high91.9Very high36 Ų3647.1 Ų47.125%0.25225%0.252SS..Hα-helixtrans-67.6-42.1175-65.90000111.6L48 A66 V67 L71 N72 E73L48-S69 WeakPolarHBondContact CD2-O 3.26Å; A66-S69 WeakPolarHBondContact O-CA 3.03Å; A66-S69 WeakPolarHBondContact O-CB 3.44Å; A66-S69 PolarHBondContact O-N 3.2Å; V67-S69 PolarHBondContact O-N 2.66Å; S69-L71 VanDerWaalsContact C-N 3.34Å; S69-L71 PolarHBondContact O-N 2.98Å; S69-N72 WeakPolarHBondContact O-CB 3.45Å; S69-N72 PolarHBondContact O-N 2.93Å; S69-E73 WeakPolarHBondContact O-CB 3.48Å; S69-E73 PolarHBondContact O-N 3.29Å
70I94.1Very high92.6Very high1 Ų144 Ų441%0.00524%0.235CC..Hα-helixtrans-57.3-47.9173.7-61.7171.3000110.4I15 F16 I42 L48 I62 F65 A66 V67 N72 E73 L74I15-I70 HydrophobicContact CD1-CG2 4.03Å; F16-I70 HydrophobicContact CE2-CG2 4.42Å; F16-I70 HydrophobicContact CZ-CG2 4.15Å; I42-I70 HydrophobicContact CD1-CD1 3.67Å; I42-I70 HydrophobicContact CD1-CG1 4.12Å; L48-I70 HydrophobicContact CD1-CG1 4.33Å; L48-I70 HydrophobicContact CD2-CG1 4.45Å; I62-I70 HydrophobicContact CB-CD1 3.89Å; I62-I70 HydrophobicContact CD1-CD1 4.07Å; I62-I70 HydrophobicContact CG1-CD1 4.24Å; F65-I70 HydrophobicContact CB-CD1 4.12Å; F65-I70 HydrophobicContact CB-CG1 4.06Å; A66-I70 PolarHBondContact O-N 3.14Å; V67-I70 PolarHBondContact O-N 3.29Å; I70-N72 VanDerWaalsContact C-N 3.34Å; I70-N72 PolarHBondContact O-N 3.21Å; I70-E73 PolarHBondContact O-N 3.36Å; I70-L74 HydrophobicContact CG2-CD1 4.21Å; I70-L74 HydrophobicContact CG2-CG 4.49Å; I70-L74 WeakPolarHBondContact O-CG 3.42Å; I70-L74 PolarHBondContact O-N 3.4Å
71L94Very high93.1Very high48 Ų4847.2 Ų47.225%0.25125%0.245SC..Hα-helixtrans-65.8-33.2178.3-68.5173.5000113.3L7 F35 V67 S68 S69 R75L7-L71 HydrophobicContact CD1-CB 4.26Å; L7-L71 HydrophobicContact CD1-CD2 3.8Å; F35-L71 HydrophobicContact CE1-CD2 3.92Å; F35-L71 HydrophobicContact CZ-CD2 3.96Å; F35-L71 HydrophobicContact CZ-CG 4.41Å; V67-L71 HydrophobicContact CG1-CD1 4.19Å; V67-L71 HydrophobicContact CG1-CG 4.44Å; V67-L71 WeakPolarHBondContact O-CG 3.34Å; V67-L71 PolarHBondContact O-N 3.13Å; S68-L71 PolarHBondContact O-N 3.28Å; S69-L71 VanDerWaalsContact C-N 3.34Å; S69-L71 PolarHBondContact O-N 2.98Å; L71-R75 WeakPolarHBondContact O-CG 3.2Å; L71-R75 PolarHBondContact O-N 2.93Å; L71-R75 PolarHBondContact O-NE 3.47Å; L71-R75 VanDerWaalsContact O-NE 3.17Å
72N94.6Very high93.5Very high80 Ų8046.1 Ų46.143%0.42824%0.24SC..Hα-helixtrans-66.1-43.5171.9-76.6-37.7000110.9S68 S69 I70 R75 R76S68-N72 PolarHBondContact O-N 3.18Å; S68-N72 PolarHBondContact O-ND2 3.35Å; S69-N72 WeakPolarHBondContact O-CB 3.45Å; S69-N72 PolarHBondContact O-N 2.93Å; I70-N72 VanDerWaalsContact C-N 3.34Å; I70-N72 PolarHBondContact O-N 3.21Å; N72-R75 WeakPolarHBondContact O-CB 3.31Å; N72-R75 PolarHBondContact O-N 3.15Å; N72-R75 PolarHBondContact OD1-NH1 3.24Å; N72-R75 PolarHBondContact OD1-NH2 3.45Å; N72-R76 PolarHBondContact O-N 3.32Å
73E96.1Very high93.8Very high5 Ų547.6 Ų47.62%0.02325%0.25CC..Hα-helixtrans-65.1-43.1179.5177.967.7166.800111.9F16 A45 G47 L48 S69 I70 R75 R76 G77 C91F16-E73 HydrophobicContact CE1-CG 3.99Å; A45-E73 HydrophobicContact CB-CG 4.11Å; G47-E73 VanDerWaalsContact CA-OE2 3.31Å; G47-E73 WeakPolarHBondContact CA-OE2 3.28Å; G47-E73 PolarHBondContact N-OE1 3.21Å; L48-E73 HydrophobicContact CD2-CB 3.57Å; L48-E73 HydrophobicContact CD2-CG 4.07Å; L48-E73 HydrophobicContact CG-CB 4.03Å; L48-E73 HydrophobicContact CG-CG 3.93Å; S69-E73 WeakPolarHBondContact O-CB 3.48Å; S69-E73 PolarHBondContact O-N 3.29Å; I70-E73 PolarHBondContact O-N 3.36Å; E73-R75 VanDerWaalsContact C-N 3.29Å; E73-R75 PolarHBondContact O-N 3.06Å; E73-R76 VanDerWaalsContact CD-NH2 3.31Å; E73-R76 WeakPolarHBondContact O-CB 3.32Å; E73-R76 PolarHBondContact O-N 3.27Å; E73-R76 VanDerWaalsContact O-N 3.15Å; E73-R76 IonicContact OE1-CZ 3.55Å; E73-R76 IonicContact OE1-NE 3.68Å; E73-R76 IonicContact OE1-NH2 2.66Å; E73-R76 PolarHBondContact OE1-NH2 3.44Å; E73-R76 IonicContact OE2-CZ 3.39Å; E73-R76 IonicContact OE2-NE 2.71Å; E73-R76 PolarHBondContact OE2-NE 3.2Å; E73-R76 IonicContact OE2-NH2 3.28Å; E73-R76 PolarHBondContact OE2-NH2 2.97Å; E73-G77 PolarHBondContact O-N 2.85Å; E73-C91 HydrophobicContact CG-CB 4.36Å
74L94.9Very high94.1Very high18 Ų1847.6 Ų47.69%0.09425%0.252CS..Hα-helixtrans-62-37.5173.9-67.4174.4000111.8L9 I15 F16 I70 G77 R78L9-L74 HydrophobicContact CD1-CD1 4.16Å; I15-L74 HydrophobicContact CB-CD1 4.44Å; I15-L74 HydrophobicContact CD1-CD1 4.14Å; I15-L74 HydrophobicContact CG1-CD1 4.46Å; I15-L74 HydrophobicContact CG1-CD2 4.46Å; F16-L74 HydrophobicContact CD1-CD2 3.83Å; F16-L74 HydrophobicContact CE1-CD2 3.78Å; F16-L74 HydrophobicContact CE1-CG 4.44Å; F16-L74 HydrophobicContact CG-CD2 4.33Å; F16-L74 HydrophobicContact CZ-CD2 4.24Å; I70-L74 HydrophobicContact CG2-CD1 4.21Å; I70-L74 HydrophobicContact CG2-CG 4.49Å; I70-L74 WeakPolarHBondContact O-CG 3.42Å; I70-L74 PolarHBondContact O-N 3.4Å; L74-G77 PolarHBondContact O-N 3.07Å; L74-R78 WeakPolarHBondContact O-CG 3.49Å; L74-R78 PolarHBondContact O-N 3.46Å
75R95.7Very high94.4Very high108 Ų10848.8 Ų48.841%0.40826%0.256SS..Hα-helixtrans-63-42.9173.1-82.1-179.8-85.5146.1-13.3111.9L7 L71 N72 E73L7-R75 HydrophobicContact CD1-CG 3.9Å; L7-R75 HydrophobicContact CD2-CG 3.56Å; L7-R75 HydrophobicContact CG-CG 3.99Å; L71-R75 WeakPolarHBondContact O-CG 3.2Å; L71-R75 PolarHBondContact O-N 2.93Å; L71-R75 PolarHBondContact O-NE 3.47Å; L71-R75 VanDerWaalsContact O-NE 3.17Å; N72-R75 WeakPolarHBondContact O-CB 3.31Å; N72-R75 PolarHBondContact O-N 3.15Å; N72-R75 PolarHBondContact OD1-NH1 3.24Å; N72-R75 PolarHBondContact OD1-NH2 3.45Å; E73-R75 VanDerWaalsContact C-N 3.29Å; E73-R75 PolarHBondContact O-N 3.06Å
76R95Very high94.5Very high91 Ų9156.1 Ų56.134%0.34328%0.283SS..Hα-helixtrans-61.5-49173.3-172.9-170.970.294.35.4110.3N72 E73 R78 S79 L80 C91N72-R76 PolarHBondContact O-N 3.32Å; E73-R76 VanDerWaalsContact CD-NH2 3.31Å; E73-R76 WeakPolarHBondContact O-CB 3.32Å; E73-R76 PolarHBondContact O-N 3.27Å; E73-R76 VanDerWaalsContact O-N 3.15Å; E73-R76 IonicContact OE1-CZ 3.55Å; E73-R76 IonicContact OE1-NE 3.68Å; E73-R76 IonicContact OE1-NH2 2.66Å; E73-R76 PolarHBondContact OE1-NH2 3.44Å; E73-R76 IonicContact OE2-CZ 3.39Å; E73-R76 IonicContact OE2-NE 2.71Å; E73-R76 PolarHBondContact OE2-NE 3.2Å; E73-R76 IonicContact OE2-NH2 3.28Å; E73-R76 PolarHBondContact OE2-NH2 2.97Å; R76-R78 VanDerWaalsContact C-N 3.25Å; R76-R78 PolarHBondContact O-N 3.14Å; R76-S79 WeakPolarHBondContact O-CB 3.39Å; R76-S79 PolarHBondContact O-N 2.86Å; R76-S79 PolarHBondContact O-OG 3.24Å; R76-L80 HydrophobicContact CG-CD1 4.39Å; R76-C91 PolarHBondContact NH2-O 3.1Å
77G94.7Very high94.7Very high0 Ų061.2 Ų61.20%031%0.309CS..Hα-helixtrans-54.7-35.4179.900000113.9E73 L74 S79 L80 G89E73-G77 PolarHBondContact O-N 2.85Å; L74-G77 PolarHBondContact O-N 3.07Å; G77-S79 PolarHBondContact O-N 3.16Å; G77-S79 VanDerWaalsContact O-N 3.14Å; G77-L80 PolarHBondContact O-N 3.34Å; G77-G89 WeakPolarHBondContact O-CA 3.49Å; G77-G89 PolarHBondContact O-N 3.25Å
78R92.8Very high94.8Very high109 Ų10963.5 Ų63.541%0.41133%0.326SS..THydrogen-bonded Turntrans-56.8-28.6175.2-77.4177.4173.3-166.7-4.5114.1L7 K8 L74 R76 S88L7-R78 VanDerWaalsContact CD2-NE 3.26Å; K8-R78 PolarHBondContact O-NH2 2.84Å; K8-R78 VanDerWaalsContact O-NH2 3.14Å; L74-R78 WeakPolarHBondContact O-CG 3.49Å; L74-R78 PolarHBondContact O-N 3.46Å; R76-R78 VanDerWaalsContact C-N 3.25Å; R76-R78 PolarHBondContact O-N 3.14Å; R78-S88 WeakPolarHBondContact O-CB 3.36Å
79S93.1Very high94.9Very high92 Ų9260.9 Ų60.964%0.64331%0.31SS*.THydrogen-bonded Turntrans-84.3-14.3176.970.60000113.5R76 G77R76-S79 WeakPolarHBondContact O-CB 3.39Å; R76-S79 PolarHBondContact O-N 2.86Å; R76-S79 PolarHBondContact O-OG 3.24Å; G77-S79 PolarHBondContact O-N 3.16Å; G77-S79 VanDerWaalsContact O-N 3.14Å
80L95.5Very high95Very high37 Ų3759.1 Ų59.119%0.19430%0.298CS..PPolyproline II helixtrans-100.5124.9-173.4-56.5174.6000110.8R76 G77 S88 G89 A90 T102R76-L80 HydrophobicContact CG-CD1 4.39Å; G77-L80 PolarHBondContact O-N 3.34Å; L80-S88 CarbonylContact O-C 3.53Å; L80-S88 VanDerWaalsContact O-CA 3.28Å; L80-S88 WeakPolarHBondContact O-CA 3.28Å; L80-G89 PolarHBondContact O-N 3.49Å; L80-G89 VanDerWaalsContact O-N 3.13Å; L80-A90 HydrophobicContact CB-CB 4.36Å; L80-A90 PolarHBondContact O-N 2.81Å; L80-T102 HydrophobicContact CD1-CG2 4.3Å; L80-T102 HydrophobicContact CD2-CG2 4.47Å
81K96.7Very high95.2Very high152 Ų15259.3 Ų59.366%0.66130%0.299SS*.BIsolated β-bridgetrans-93.1134.1177-65.3-176.9-179.2179.40110.3S83 L87 T102K81-S83 PolarHBondContact O-N 3.36Å; K81-L87 WeakPolarHBondContact CA-O 3.45Å; K81-T102 PolarHBondContact O-OG1 2.96Å
82C97.6Very high95.4Very high0 Ų057.2 Ų57.20%029%0.288CS..PPolyproline II helixtrans-65.1135174.7179.10000110.5V84 C85 R86 L87 A90 T102 H104 C107C82-V84 PolarHBondContact O-N 3.19Å; C82-V84 PolarHBondContact SG-N 2.84Å; C82-V84 VanDerWaalsContact SG-N 3.45Å; C82-C85 WeakPolarHBondContact CB-SG 3.19Å; C82-C85 VanDerWaalsContact SG-SG 3.65Å; C82-R86 WeakPolarHBondContact O-CA 3.35Å; C82-R86 WeakPolarHBondContact O-CD 3.29Å; C82-R86 PolarHBondContact O-N 3.45Å; C82-L87 PolarHBondContact N-O 3.47Å; C82-A90 HydrophobicContact CB-CB 3.84Å; C82-T102 CarbonylContact C-O 3.56Å; C82-T102 WeakPolarHBondContact CA-O 3.43Å; C82-H104 WeakPolarHBondContact CB-ND1 3.44Å; C82-C107 WeakPolarHBondContact SG-CB 3.5Å; C82-C107 VanDerWaalsContact SG-SG 3.62Å
83S96.2Very high95.5Very high32 Ų3254.1 Ų54.122%0.22428%0.276CS..THydrogen-bonded Turntrans-68.8-18.7-180-54.50000112.8K81 R86 T102K81-S83 PolarHBondContact O-N 3.36Å; S83-R86 PolarHBondContact O-NE 3.42Å; S83-R86 PolarHBondContact O-NH2 3.5Å; S83-T102 PolarHBondContact N-O 3.5Å; S83-T102 PolarHBondContact OG-N 3.42Å; S83-T102 PolarHBondContact OG-O 2.77Å
84V95Very high95.6Very high53 Ų5354.6 Ų54.632%0.32128%0.279SS..THydrogen-bonded Turntrans-96-69.4-179.5-177.40000110.5C82 F103 C107 A111C82-V84 PolarHBondContact O-N 3.19Å; C82-V84 PolarHBondContact SG-N 2.84Å; C82-V84 VanDerWaalsContact SG-N 3.45Å; V84-F103 HydrophobicContact CG2-CD1 3.77Å; V84-F103 HydrophobicContact CG2-CE1 3.83Å; V84-C107 HydrophobicContact CB-CB 3.99Å; V84-C107 HydrophobicContact CG2-CB 4.18Å; V84-A111 HydrophobicContact CG2-CB 3.7Å
85C95Very high95.7Very high53 Ų5357.5 Ų57.536%0.35830%0.297SS..THydrogen-bonded Turntrans-83.5-11.4-174.7720000114.4C82 L87 H104C82-C85 WeakPolarHBondContact CB-SG 3.19Å; C82-C85 VanDerWaalsContact SG-SG 3.65Å; C85-L87 HydrophobicContact CB-CG 4.5Å; C85-L87 PolarHBondContact O-N 3.13Å; C85-L87 VanDerWaalsContact O-N 3.09Å; C85-H104 VanDerWaalsContact SG-CE1 3.52Å; C85-H104 PolarHBondContact SG-ND1 3.48Å; C85-H104 VanDerWaalsContact SG-ND1 3.39Å
86R95.5Very high95.8Very high155 Ų15554.4 Ų54.459%0.58529%0.29SS*.  trans65.6-0.7-179.2-49.9-61.5176.1171.31.4116.2C82 S83C82-R86 WeakPolarHBondContact O-CA 3.35Å; C82-R86 WeakPolarHBondContact O-CD 3.29Å; C82-R86 PolarHBondContact O-N 3.45Å; S83-R86 PolarHBondContact O-NE 3.42Å; S83-R86 PolarHBondContact O-NH2 3.5Å
87L94.7Very high95.8Very high119 Ų11955.1 Ų55.162%0.62331%0.309SS*.  trans-74.3154.7173.2-55.9178.3000111.4K81 C82 C85K81-L87 WeakPolarHBondContact CA-O 3.45Å; C82-L87 PolarHBondContact N-O 3.47Å; C85-L87 HydrophobicContact CB-CG 4.5Å; C85-L87 PolarHBondContact O-N 3.13Å; C85-L87 VanDerWaalsContact O-N 3.09Å
88S94.3Very high95.9Very high71 Ų7160.5 Ų60.550%0.49734%0.342SS..BIsolated β-bridgetrans-70.7165.9174.652.90000112.5R78 L80 H104R78-S88 WeakPolarHBondContact O-CB 3.36Å; L80-S88 CarbonylContact O-C 3.53Å; L80-S88 VanDerWaalsContact O-CA 3.28Å; L80-S88 WeakPolarHBondContact O-CA 3.28Å; S88-H104 PolarHBondContact O-NE2 3.4Å; S88-H104 VanDerWaalsContact O-NE2 3.1Å
89G94.4Very high96.2Very high18 Ų1855.7 Ų55.719%0.18633%0.325CS..  trans999.7177.900000114.1G77 L80 C91 H104G77-G89 WeakPolarHBondContact O-CA 3.49Å; G77-G89 PolarHBondContact O-N 3.25Å; L80-G89 PolarHBondContact O-N 3.49Å; L80-G89 VanDerWaalsContact O-N 3.13Å; G89-C91 VanDerWaalsContact C-N 3.32Å; G89-C91 PolarHBondContact O-N 2.67Å; G89-C91 PolarHBondContact O-SG 2.73Å; G89-H104 PolarHBondContact O-CD2 2.95Å
90A96.1Very high96.3Very high0 Ų059.1 Ų59.10%033%0.331CS..  trans-75.776.8-17500000112.4L80 C82 V92 F103L80-A90 HydrophobicContact CB-CB 4.36Å; L80-A90 PolarHBondContact O-N 2.81Å; C82-A90 HydrophobicContact CB-CB 3.84Å; A90-V92 VanDerWaalsContact C-N 3.3Å; A90-V92 PolarHBondContact O-N 3.34Å; A90-F103 CarbonylContact C-O 3.51Å; A90-F103 VanDerWaalsContact C-O 3.23Å; A90-F103 VanDerWaalsContact CA-O 3.29Å; A90-F103 WeakPolarHBondContact CA-O 3.16Å
91C97.3Very high96.4Very high4 Ų458.9 Ų58.93%0.02733%0.331CS..  trans-77-12.6-172.5-58.30000114.1F16 A45 S46 E73 R76 G89 F103F16-C91 HydrophobicContact CD1-CB 4.03Å; F16-C91 HydrophobicContact CE1-CB 4.3Å; A45-C91 HydrophobicContact CB-CB 4.2Å; S46-C91 PolarHBondContact N-O 2.77Å; S46-C91 VanDerWaalsContact N-O 3.15Å; S46-C91 PolarHBondContact OG-O 3.37Å; E73-C91 HydrophobicContact CG-CB 4.36Å; R76-C91 PolarHBondContact NH2-O 3.1Å; G89-C91 VanDerWaalsContact C-N 3.32Å; G89-C91 PolarHBondContact O-N 2.67Å; G89-C91 PolarHBondContact O-SG 2.73Å; C91-F103 PolarHBondContact N-O 3.08Å
92V97.7Very high96.4Very high4 Ų452.7 Ų52.72%0.02431%0.306CS..EExtended strand (participates in β ladder)trans-92.7112.1-178.9-172.30000109.9A44 A90 T102 F103 L105 L108 S123A44-V92 HydrophobicContact CB-CG1 4.29Å; A44-V92 HydrophobicContact CB-CG2 3.89Å; A90-V92 VanDerWaalsContact C-N 3.3Å; A90-V92 PolarHBondContact O-N 3.34Å; V92-T102 CarbonylContact O-C 3.55Å; V92-T102 WeakPolarHBondContact O-CA 3.13Å; V92-F103 WeakPolarHBondContact CB-O 3.16Å; V92-F103 PolarHBondContact N-O 2.9Å; V92-F103 PolarHBondContact O-N 3.44Å; V92-L105 HydrophobicContact CG2-CB 4.17Å; V92-L108 HydrophobicContact CG1-CD2 3.85Å; V92-S123 WeakPolarHBondContact CG1-OG 3.38Å
93G97.4Very high96.4Very high16 Ų1653.3 Ų53.317%0.16531%0.309CS..EExtended strand (participates in β ladder)trans-104.5150.5178.300000112.8S46 V95 S123S46-G93 PolarHBondContact OG-N 3.18Å; G93-V95 PolarHBondContact O-N 2.97Å; G93-S123 WeakPolarHBondContact O-CB 3.37Å
94C98.2Very high96.5Very high15 Ų1552.5 Ų52.510%0.10130%0.302CS..  trans-67.8131.8168.7-173.50000110.3V96 C99 T101 S123 C125 H128C94-V96 VanDerWaalsContact C-N 3.26Å; C94-V96 PolarHBondContact O-N 2.79Å; C94-C99 HydrophobicContact CB-CB 3.94Å; C94-T101 PolarHBondContact N-O 2.88Å; C94-S123 CarbonylContact C-O 3.58Å; C94-S123 VanDerWaalsContact CA-O 3.32Å; C94-S123 WeakPolarHBondContact CA-O 3.34Å; C94-C125 HydrophobicContact CB-CB 4.19Å; C94-C125 PolarHBondContact SG-N 2.94Å; C94-H128 PolarHBondContact SG-ND1 3.15Å; C94-H128 VanDerWaalsContact SG-ND1 3.36Å
95V97Very high96.5Very high78 Ų7850.2 Ų50.247%0.47329%0.287SS..SBendtrans-69-22.1-177.270.60000113.7G93 S97 P122 S123 Y124G93-V95 PolarHBondContact O-N 2.97Å; V95-S97 PolarHBondContact O-N 3.02Å; V95-P122 HydrophobicContact CB-CB 4.25Å; V95-P122 HydrophobicContact CG1-CB 4.23Å; V95-P122 HydrophobicContact CG2-CB 4.22Å; V95-S123 PolarHBondContact N-O 3.03Å; V95-Y124 HydrophobicContact CG1-CD1 3.64Å; V95-Y124 HydrophobicContact CG1-CE1 3.2Å; V95-Y124 HydrophobicContact CG1-CE2 4.25Å; V95-Y124 HydrophobicContact CG1-CG 4.31Å
96V97.4Very high96.5Very high43 Ų4348.2 Ų48.226%0.26127%0.274SS..SBendtrans-64.6120.1177.2176.80000109.4C94 T98 C99 H128C94-V96 VanDerWaalsContact C-N 3.26Å; C94-V96 PolarHBondContact O-N 2.79Å; V96-T98 VanDerWaalsContact C-N 3.27Å; V96-T98 PolarHBondContact O-N 3.44Å; V96-T98 VanDerWaalsContact O-N 3.16Å; V96-C99 HydrophobicContact CB-CB 3.97Å; V96-C99 HydrophobicContact CG1-CB 4.27Å; V96-C99 WeakPolarHBondContact O-CA 3.38Å; V96-C99 WeakPolarHBondContact O-CB 3.23Å; V96-C99 PolarHBondContact O-N 3.1Å; V96-H128 HydrophobicContact CG2-CB 3.75Å
97S95.8Very high96.5Very high106 Ų10641.5 Ų41.574%0.74125%0.25SS*.THydrogen-bonded Turntrans-60-30.5-169.958.60000115.1V95 C99V95-S97 PolarHBondContact O-N 3.02Å; S97-C99 VanDerWaalsContact C-N 3.27Å
98T97.3Very high96.6Very high113 Ų11335.9 Ų35.969%0.69322%0.221SC*.THydrogen-bonded Turntrans-81.2-6176560000113V96V96-T98 VanDerWaalsContact C-N 3.27Å; V96-T98 PolarHBondContact O-N 3.44Å; V96-T98 VanDerWaalsContact O-N 3.16Å
99C97.8Very high96.5Very high8 Ų833.6 Ų33.65%0.05420%0.203CC..  trans-103109.9-176.9-163.10000111.1C94 V96 S97 T101 C125 H128C94-C99 HydrophobicContact CB-CB 3.94Å; V96-C99 HydrophobicContact CB-CB 3.97Å; V96-C99 HydrophobicContact CG1-CB 4.27Å; V96-C99 WeakPolarHBondContact O-CA 3.38Å; V96-C99 WeakPolarHBondContact O-CB 3.23Å; V96-C99 PolarHBondContact O-N 3.1Å; S97-C99 VanDerWaalsContact C-N 3.27Å; C99-T101 PolarHBondContact SG-OG1 3.39Å; C99-C125 VanDerWaalsContact SG-SG 3.63Å; C99-H128 VanDerWaalsContact SG-CE1 3.56Å
100H95.6Very high96.3Very high164 Ų16437.2 Ų37.276%0.75921%0.214SC*.  trans-96.816.1-179.6-54.8-57.2000113.5T102H100-T102 PolarHBondContact O-N 3.32Å
101T97.5Very high96.2Very high32 Ų3238.6 Ų38.620%0.19623%0.225CC..  trans-74.8125.8179.757.50000110.6C94 C99 F103C94-T101 PolarHBondContact N-O 2.88Å; C99-T101 PolarHBondContact SG-OG1 3.39Å; T101-F103 WeakPolarHBondContact OG1-CE2 3.39Å
102T97.8Very high96Very high23 Ų2339.2 Ų39.214%0.14123%0.227CC..EExtended strand (participates in β ladder)trans-113.7151.1175.347.70000111.2L80 K81 C82 S83 V92 H100L80-T102 HydrophobicContact CD1-CG2 4.3Å; L80-T102 HydrophobicContact CD2-CG2 4.47Å; K81-T102 PolarHBondContact O-OG1 2.96Å; C82-T102 CarbonylContact C-O 3.56Å; C82-T102 WeakPolarHBondContact CA-O 3.43Å; S83-T102 PolarHBondContact N-O 3.5Å; S83-T102 PolarHBondContact OG-N 3.42Å; S83-T102 PolarHBondContact OG-O 2.77Å; V92-T102 CarbonylContact O-C 3.55Å; V92-T102 WeakPolarHBondContact O-CA 3.13Å; H100-T102 PolarHBondContact O-N 3.32Å
103F97.8Very high95.9Very high13 Ų1339.1 Ų39.16%0.05723%0.227CC..EExtended strand (participates in β ladder)trans-143.9157.2-175.2-55.5-92000111.2V84 A90 C91 V92 T101 L108 A111 C125V84-F103 HydrophobicContact CG2-CD1 3.77Å; V84-F103 HydrophobicContact CG2-CE1 3.83Å; A90-F103 CarbonylContact C-O 3.51Å; A90-F103 VanDerWaalsContact C-O 3.23Å; A90-F103 VanDerWaalsContact CA-O 3.29Å; A90-F103 WeakPolarHBondContact CA-O 3.16Å; C91-F103 PolarHBondContact N-O 3.08Å; V92-F103 WeakPolarHBondContact CB-O 3.16Å; V92-F103 PolarHBondContact N-O 2.9Å; V92-F103 PolarHBondContact O-N 3.44Å; T101-F103 WeakPolarHBondContact OG1-CE2 3.39Å; F103-L108 HydrophobicContact CB-CB 3.82Å; F103-L108 HydrophobicContact CB-CD1 4.43Å; F103-L108 HydrophobicContact CD1-CD1 4.43Å; F103-L108 HydrophobicContact CD2-CD1 3.66Å; F103-L108 HydrophobicContact CE2-CD1 3.96Å; F103-L108 HydrophobicContact CG-CB 4.13Å; F103-L108 HydrophobicContact CG-CD1 3.93Å; F103-L108 HydrophobicContact CZ-CD1 4.48Å; F103-A111 HydrophobicContact CE1-CB 4.27Å; F103-C125 HydrophobicContact CE2-CB 3.79Å; F103-C125 HydrophobicContact CZ-CB 3.95Å
104H96.9Very high95.8Very high15 Ų1538.7 Ų38.77%0.06922%0.221CC..  trans-75.8150.4149.7-54103.6000108.2F16 C17 C82 C85 S88 G89 P106 C107 L108F16-H104 PolarHBondContact O-CD2 3.22Å; F16-H104 VanDerWaalsContact O-CD2 3.32Å; C17-H104 HydrophobicContact CB-CB 4.32Å; C82-H104 WeakPolarHBondContact CB-ND1 3.44Å; C85-H104 VanDerWaalsContact SG-CE1 3.52Å; C85-H104 PolarHBondContact SG-ND1 3.48Å; C85-H104 VanDerWaalsContact SG-ND1 3.39Å; S88-H104 PolarHBondContact O-NE2 3.4Å; S88-H104 VanDerWaalsContact O-NE2 3.1Å; G89-H104 PolarHBondContact O-CD2 2.95Å; H104-P106 HydrophobicContact CB-CG 4.3Å; H104-C107 HydrophobicContact CB-CB 4.14Å; H104-C107 CarbonylContact O-C 3.5Å; H104-C107 WeakPolarHBondContact O-CA 3.48Å; H104-C107 WeakPolarHBondContact O-CB 3.47Å; H104-C107 PolarHBondContact O-N 3.37Å; H104-L108 PolarHBondContact O-N 3.32Å
105L96.3Very high95.7Very high4 Ų438.3 Ų38.32%0.02122%0.218CC..Hα-helixtrans-53.1-49.3178.4-17661.2000113.9L26 N40 C41 A44 V92 C107 L108 I109L26-L105 HydrophobicContact CD2-CB 4.24Å; L26-L105 HydrophobicContact CD2-CD2 3.8Å; L26-L105 HydrophobicContact CD2-CG 3.82Å; N40-L105 VanDerWaalsContact C-CD2 3.4Å; N40-L105 HydrophobicContact CB-CD2 3.68Å; N40-L105 WeakPolarHBondContact O-CD2 3.31Å; C41-L105 HydrophobicContact CB-CD2 4.48Å; A44-L105 HydrophobicContact CB-CD1 3.94Å; A44-L105 HydrophobicContact CB-CD2 4.26Å; V92-L105 HydrophobicContact CG2-CB 4.17Å; L105-C107 PolarHBondContact O-N 2.75Å; L105-L108 HydrophobicContact CD1-CD2 4.41Å; L105-L108 WeakPolarHBondContact O-CB 3.01Å; L105-L108 PolarHBondContact O-N 2.89Å; L105-L108 VanDerWaalsContact O-N 3.1Å; L105-I109 HydrophobicContact CD1-CD1 4.28Å; L105-I109 HydrophobicContact CD1-CG1 4.49Å; L105-I109 HydrophobicContact CG-CD1 4.08Å; L105-I109 WeakPolarHBondContact O-CG1 3.01Å; L105-I109 PolarHBondContact O-N 3.36Å; L105-I109 VanDerWaalsContact O-N 3.08Å
106P94.7Very high95.7Very high12 Ų1235.9 Ų35.98%0.07820%0.202CC..Hα-helixtrans-61.9-32.3176.221.9-33000112.7C17 E19 L26 H104 K110C17-P106 HydrophobicContact CB-CG 3.58Å; E19-P106 HydrophobicContact CG-CG 4.09Å; L26-P106 HydrophobicContact CD1-CB 4.34Å; L26-P106 HydrophobicContact CD2-CB 4.17Å; L26-P106 HydrophobicContact CD2-CG 4.49Å; H104-P106 HydrophobicContact CB-CG 4.3Å; P106-K110 WeakPolarHBondContact O-CB 3.44Å; P106-K110 VanDerWaalsContact O-CG 3.22Å; P106-K110 WeakPolarHBondContact O-CG 3.28Å; P106-K110 PolarHBondContact O-N 3.09Å
107C95.4Very high95.6Very high13 Ų1334.7 Ų34.79%0.08819%0.193CC..Hα-helixtrans-69.8-38174.9-73.70000112.4C82 V84 H104 L105 I109 K110 A111C82-C107 WeakPolarHBondContact SG-CB 3.5Å; C82-C107 VanDerWaalsContact SG-SG 3.62Å; V84-C107 HydrophobicContact CB-CB 3.99Å; V84-C107 HydrophobicContact CG2-CB 4.18Å; H104-C107 HydrophobicContact CB-CB 4.14Å; H104-C107 CarbonylContact O-C 3.5Å; H104-C107 WeakPolarHBondContact O-CA 3.48Å; H104-C107 WeakPolarHBondContact O-CB 3.47Å; H104-C107 PolarHBondContact O-N 3.37Å; L105-C107 PolarHBondContact O-N 2.75Å; C107-I109 VanDerWaalsContact C-N 3.35Å; C107-K110 PolarHBondContact O-N 3.07Å; C107-A111 VanDerWaalsContact O-CB 3.29Å; C107-A111 WeakPolarHBondContact O-CB 3.43Å; C107-A111 PolarHBondContact O-N 2.77Å
108L95.7Very high95.4Very high2 Ų233 Ų331%0.0117%0.174CC..Hα-helixtrans-59.9-48.1174.618068.6000110.2V92 F103 H104 L105 A111 Q112 G113 T115V92-L108 HydrophobicContact CG1-CD2 3.85Å; F103-L108 HydrophobicContact CB-CB 3.82Å; F103-L108 HydrophobicContact CB-CD1 4.43Å; F103-L108 HydrophobicContact CD1-CD1 4.43Å; F103-L108 HydrophobicContact CD2-CD1 3.66Å; F103-L108 HydrophobicContact CE2-CD1 3.96Å; F103-L108 HydrophobicContact CG-CB 4.13Å; F103-L108 HydrophobicContact CG-CD1 3.93Å; F103-L108 HydrophobicContact CZ-CD1 4.48Å; H104-L108 PolarHBondContact O-N 3.32Å; L105-L108 HydrophobicContact CD1-CD2 4.41Å; L105-L108 WeakPolarHBondContact O-CB 3.01Å; L105-L108 PolarHBondContact O-N 2.89Å; L105-L108 VanDerWaalsContact O-N 3.1Å; L108-A111 CarbonylContact O-C 3.48Å; L108-A111 PolarHBondContact O-N 3.06Å; L108-A111 VanDerWaalsContact O-N 3.16Å; L108-Q112 PolarHBondContact O-N 2.78Å; L108-G113 PolarHBondContact O-N 3.25Å; L108-T115 WeakPolarHBondContact CD2-OG1 3.04Å
109I92.9Very high95.1Very high23 Ų2328.8 Ų28.812%0.11815%0.153CC..Hα-helixtrans-62.1-47.6178.8-64.3163.7000110.7L25 L26 L105 C107 A111 Q112 H287L25-I109 HydrophobicContact CB-CD1 3.94Å; L25-I109 HydrophobicContact CD1-CG2 3.91Å; L26-I109 HydrophobicContact CD2-CD1 4Å; L105-I109 HydrophobicContact CD1-CD1 4.28Å; L105-I109 HydrophobicContact CD1-CG1 4.49Å; L105-I109 HydrophobicContact CG-CD1 4.08Å; L105-I109 WeakPolarHBondContact O-CG1 3.01Å; L105-I109 PolarHBondContact O-N 3.36Å; L105-I109 VanDerWaalsContact O-N 3.08Å; C107-I109 VanDerWaalsContact C-N 3.35Å; I109-A111 PolarHBondContact O-N 3.3Å; I109-Q112 WeakPolarHBondContact O-CA 3.44Å; I109-Q112 PolarHBondContact O-N 3.5Å; I109-H287 PolarHBondContact O-CE1 3.26Å
110K90.7Very high94.8Very high94 Ų9436 Ų3641%0.40919%0.191SC..Hα-helixtrans-58.7-34.9174.9-74.4171-176174.30111.9E19 P106 C107 Q112E19-K110 IonicContact OE1-NZ 2.73Å; P106-K110 WeakPolarHBondContact O-CB 3.44Å; P106-K110 VanDerWaalsContact O-CG 3.22Å; P106-K110 WeakPolarHBondContact O-CG 3.28Å; P106-K110 PolarHBondContact O-N 3.09Å; C107-K110 PolarHBondContact O-N 3.07Å; K110-Q112 PolarHBondContact O-N 3.27Å
111A92.7Very high94.8Very high28 Ų2829.3 Ų29.323%0.23116%0.16CC..THydrogen-bonded Turntrans-81.51017500000114V84 F103 C107 L108 I109 G113 R126V84-A111 HydrophobicContact CG2-CB 3.7Å; F103-A111 HydrophobicContact CE1-CB 4.27Å; C107-A111 VanDerWaalsContact O-CB 3.29Å; C107-A111 WeakPolarHBondContact O-CB 3.43Å; C107-A111 PolarHBondContact O-N 2.77Å; L108-A111 CarbonylContact O-C 3.48Å; L108-A111 PolarHBondContact O-N 3.06Å; L108-A111 VanDerWaalsContact O-N 3.16Å; I109-A111 PolarHBondContact O-N 3.3Å; A111-G113 PolarHBondContact O-N 2.81Å; A111-R126 WeakPolarHBondContact O-CB 3.47Å
112Q93.2Very high94.8Very high18 Ų1829.3 Ų29.38%0.08416%0.16CC..THydrogen-bonded Turntrans60.729.6-179.2-50.9172.7-10.900114.3L108 I109 K110 R126 R131 H287L108-Q112 PolarHBondContact O-N 2.78Å; I109-Q112 WeakPolarHBondContact O-CA 3.44Å; I109-Q112 PolarHBondContact O-N 3.5Å; K110-Q112 PolarHBondContact O-N 3.27Å; Q112-R126 HydrophobicContact CB-CG 4.45Å; Q112-R126 VanDerWaalsContact OE1-CZ 3.27Å; Q112-R131 PolarHBondContact O-NH2 2.98Å; Q112-H287 WeakPolarHBondContact CA-NE2 3.26Å; Q112-H287 HydrophobicContact CB-CB 4.16Å; Q112-H287 HydrophobicContact CG-CB 3.93Å
113G95Very high94.8Very high1 Ų128.4 Ų28.41%0.0116%0.155CC..  trans-86.5166.8165.700000111.5L108 A111 Y124L108-G113 PolarHBondContact O-N 3.25Å; A111-G113 PolarHBondContact O-N 2.81Å; G113-Y124 CarbonylContact C-O 3.51Å; G113-Y124 VanDerWaalsContact CA-O 3.24Å; G113-Y124 WeakPolarHBondContact CA-O 3.24Å
114I95.6Very high94.8Very high7 Ų730.7 Ų30.74%0.03616%0.163CC..EExtended strand (participates in β ladder)trans-127.7149.3-177.465.8175.3000110.5S123 Y124 A129I114-S123 CarbonylContact O-C 3.56Å; I114-S123 WeakPolarHBondContact O-CA 3.34Å; I114-Y124 HydrophobicContact CD1-CD2 4.35Å; I114-Y124 HydrophobicContact CG1-CD2 4.06Å; I114-Y124 HydrophobicContact CG1-CG 4.45Å; I114-Y124 PolarHBondContact N-O 3.22Å; I114-Y124 PolarHBondContact O-N 2.52Å; I114-A129 HydrophobicContact CD1-CB 4.04Å; I114-A129 HydrophobicContact CG1-CB 3.78Å; I114-A129 HydrophobicContact CG2-CB 4.25Å
115T97Very high94.8Very high7 Ų730.2 Ų30.24%0.04316%0.162CC..EExtended strand (participates in β ladder)trans-120.2125.6164.5-61.80000107.1A44 L108 F117 S123 G336A44-T115 HydrophobicContact CB-CG2 3.97Å; L108-T115 WeakPolarHBondContact CD2-OG1 3.04Å; T115-F117 HydrophobicContact CG2-CD1 4.24Å; T115-F117 HydrophobicContact CG2-CE1 3.83Å; T115-F117 HydrophobicContact CG2-CE2 4.26Å; T115-F117 HydrophobicContact CG2-CZ 3.83Å; T115-F117 WeakPolarHBondContact O-CD2 3.16Å; T115-F117 WeakPolarHBondContact O-CE2 3.21Å; T115-S123 WeakPolarHBondContact CG2-OG 3.47Å; T115-S123 PolarHBondContact OG1-OG 3.13Å; T115-G336 WeakPolarHBondContact O-CA 3.16Å
116I96.5Very high94.7Very high27 Ų2734.8 Ų34.814%0.13818%0.179CC..  trans-88118.4175.2-58-179.4000107E118 F121 P122 Y124 I333I116-E118 HydrophobicContact CG2-CB 4.07Å; I116-E118 PolarHBondContact O-N 3.02Å; I116-F121 CarbonylContact O-C 3.51Å; I116-F121 VanDerWaalsContact O-CA 3.26Å; I116-F121 WeakPolarHBondContact O-CA 3.39Å; I116-P122 HydrophobicContact CB-CG 4.2Å; I116-P122 PolarHBondContact N-O 2.66Å; I116-P122 WeakPolarHBondContact O-CD 3.43Å; I116-Y124 HydrophobicContact CD1-CE2 3.86Å; I116-Y124 HydrophobicContact CG1-CE2 4.21Å; I116-I333 HydrophobicContact CG2-CG2 4.33Å
117F94.8Very high94.8Very high18 Ų1843.2 Ų43.28%0.07921%0.209CC..  trans-86.248.9-175.9-64.9-82000112.9N40 F43 T115 F121 W338N40-F117 HydrophobicContact CB-CE1 3.55Å; N40-F117 HydrophobicContact CB-CZ 3.56Å; F43-F117 HydrophobicContact CB-CD1 4.08Å; F43-F117 HydrophobicContact CB-CE1 4.18Å; F43-F117 HydrophobicContact CD2-CD1 4.49Å; T115-F117 HydrophobicContact CG2-CD1 4.24Å; T115-F117 HydrophobicContact CG2-CE1 3.83Å; T115-F117 HydrophobicContact CG2-CE2 4.26Å; T115-F117 HydrophobicContact CG2-CZ 3.83Å; T115-F117 WeakPolarHBondContact O-CD2 3.16Å; T115-F117 WeakPolarHBondContact O-CE2 3.21Å; F117-F121 HydrophobicContact CB-CD1 4.41Å; F117-F121 HydrophobicContact CD1-CD1 4.41Å; F117-W338 HydrophobicContact CB-CB 4.11Å; F117-W338 HydrophobicContact CB-CG 4.25Å; F117-W338 HydrophobicContact CD1-CB 4.46Å; F117-W338 HydrophobicContact CD2-CB 3.63Å; F117-W338 HydrophobicContact CD2-CG 4.49Å; F117-W338 HydrophobicContact CE2-CB 4.15Å; F117-W338 HydrophobicContact CG-CB 3.8Å; F117-W338 AromaticContact CG-CD1 3.96Å; F117-W338 HydrophobicContact CG-CG 4.19Å
118E92.2Very high94.8Very high71 Ų7145.5 Ų45.533%0.33222%0.218SC..SBendtrans-134.5145179.5-171.4-179.1-161.100109.6I116 N120 F121 R330 I333 W425I116-E118 HydrophobicContact CG2-CB 4.07Å; I116-E118 PolarHBondContact O-N 3.02Å; E118-N120 PolarHBondContact O-N 3.14Å; E118-N120 VanDerWaalsContact O-N 3.13Å; E118-F121 PolarHBondContact O-N 2.87Å; E118-R330 IonicContact OE1-NH1 3.62Å; E118-R330 PolarHBondContact OE1-NH1 2.82Å; E118-R330 IonicContact OE2-CZ 3.29Å; E118-R330 IonicContact OE2-NH1 3.1Å; E118-R330 PolarHBondContact OE2-NH1 3.3Å; E118-R330 IonicContact OE2-NH2 3.7Å; E118-I333 HydrophobicContact CB-CG2 4.41Å; E118-W425 HydrophobicContact CG-CH2 4.03Å; E118-W425 HydrophobicContact CG-CZ2 3.99Å
119G91.5Very high94.8Very high25 Ų2546 Ų4626%0.25822%0.223SC..THydrogen-bonded Turntrans61.6-113.9178.100000112.3F121G119-F121 VanDerWaalsContact C-N 3.32Å
120N91.9Very high94.6Very high158 Ų15851.6 Ų51.685%0.84525%0.248SC*.THydrogen-bonded Turntrans-94.720.4-177.7-63.2-7000113.2E118E118-N120 PolarHBondContact O-N 3.14Å; E118-N120 VanDerWaalsContact O-N 3.13Å
121F95.1Very high94.5Very high25 Ų2551.4 Ų51.411%0.1125%0.245CC..  trans52.351.5177-48-54.9000115F43 F65 I116 F117 E118 G119 S123F43-F121 HydrophobicContact CB-CD1 4.36Å; F43-F121 HydrophobicContact CB-CD2 4.02Å; F43-F121 HydrophobicContact CB-CE1 4.47Å; F43-F121 HydrophobicContact CB-CE2 4.17Å; F43-F121 HydrophobicContact CB-CG 4.11Å; F43-F121 HydrophobicContact CB-CZ 4.38Å; F43-F121 AromaticContact CD1-CE2 3.92Å; F43-F121 HydrophobicContact CD1-CE2 3.92Å; F43-F121 HydrophobicContact CD1-CZ 4.02Å; F43-F121 HydrophobicContact CG-CE2 4.3Å; F43-F121 HydrophobicContact CG-CZ 4.24Å; F43-F121 WeakPolarHBondContact O-CB 3.36Å; F43-F121 VanDerWaalsContact O-CD2 3.23Å; F43-F121 WeakPolarHBondContact O-CD2 3.35Å; F43-F121 WeakPolarHBondContact O-CG 3.34Å; F65-F121 HydrophobicContact CZ-CE2 4.41Å; I116-F121 CarbonylContact O-C 3.51Å; I116-F121 VanDerWaalsContact O-CA 3.26Å; I116-F121 WeakPolarHBondContact O-CA 3.39Å; F117-F121 HydrophobicContact CB-CD1 4.41Å; F117-F121 HydrophobicContact CD1-CD1 4.41Å; E118-F121 PolarHBondContact O-N 2.87Å; G119-F121 VanDerWaalsContact C-N 3.32Å; F121-S123 PolarHBondContact O-N 3.32Å
122P96.9Very high94.4Very high32 Ų3251.8 Ų51.821%0.20824%0.242CC..  trans-67133.2-174.428.9-35000112V95 I116 Y124V95-P122 HydrophobicContact CB-CB 4.25Å; V95-P122 HydrophobicContact CG1-CB 4.23Å; V95-P122 HydrophobicContact CG2-CB 4.22Å; I116-P122 HydrophobicContact CB-CG 4.2Å; I116-P122 PolarHBondContact N-O 2.66Å; I116-P122 WeakPolarHBondContact O-CD 3.43Å; P122-Y124 HydrophobicContact CB-CE2 3.9Å; P122-Y124 HydrophobicContact CG-CE2 4.09Å
123S97.9Very high94.2Very high3 Ų355.9 Ų55.92%0.02126%0.264CS..EExtended strand (participates in β ladder)trans-105.9141.5174.8-59.20000112.1V92 G93 C94 V95 I114 T115 F121V92-S123 WeakPolarHBondContact CG1-OG 3.38Å; G93-S123 WeakPolarHBondContact O-CB 3.37Å; C94-S123 CarbonylContact C-O 3.58Å; C94-S123 VanDerWaalsContact CA-O 3.32Å; C94-S123 WeakPolarHBondContact CA-O 3.34Å; V95-S123 PolarHBondContact N-O 3.03Å; I114-S123 CarbonylContact O-C 3.56Å; I114-S123 WeakPolarHBondContact O-CA 3.34Å; T115-S123 WeakPolarHBondContact CG2-OG 3.47Å; T115-S123 PolarHBondContact OG1-OG 3.13Å; F121-S123 PolarHBondContact O-N 3.32Å
124Y97.8Very high94Very high61 Ų6156 Ų5624%0.23926%0.264CS..EExtended strand (participates in β ladder)trans-126.5127.1-178.8-58-93.7000109.7V95 G113 I114 I116 P122 H128V95-Y124 HydrophobicContact CG1-CD1 3.64Å; V95-Y124 HydrophobicContact CG1-CE1 3.2Å; V95-Y124 HydrophobicContact CG1-CE2 4.25Å; V95-Y124 HydrophobicContact CG1-CG 4.31Å; G113-Y124 CarbonylContact C-O 3.51Å; G113-Y124 VanDerWaalsContact CA-O 3.24Å; G113-Y124 WeakPolarHBondContact CA-O 3.24Å; I114-Y124 HydrophobicContact CD1-CD2 4.35Å; I114-Y124 HydrophobicContact CG1-CD2 4.06Å; I114-Y124 HydrophobicContact CG1-CG 4.45Å; I114-Y124 PolarHBondContact N-O 3.22Å; I114-Y124 PolarHBondContact O-N 2.52Å; I116-Y124 HydrophobicContact CD1-CE2 3.86Å; I116-Y124 HydrophobicContact CG1-CE2 4.21Å; P122-Y124 HydrophobicContact CB-CE2 3.9Å; P122-Y124 HydrophobicContact CG-CE2 4.09Å; Y124-H128 HydrophobicContact CD1-CB 4.28Å; Y124-H128 WeakPolarHBondContact CD1-O 3.47Å
125C97.4Very high93.5Very high5 Ų556.8 Ų56.83%0.03427%0.269CS..  trans-69.3167.5172.674.20000110.5C94 C99 F103 R127 H128 A129C94-C125 HydrophobicContact CB-CB 4.19Å; C94-C125 PolarHBondContact SG-N 2.94Å; C99-C125 VanDerWaalsContact SG-SG 3.63Å; F103-C125 HydrophobicContact CE2-CB 3.79Å; F103-C125 HydrophobicContact CZ-CB 3.95Å; C125-R127 PolarHBondContact O-N 2.85Å; C125-H128 CarbonylContact O-C 3.5Å; C125-H128 PolarHBondContact O-N 3.03Å; C125-H128 PolarHBondContact SG-ND1 3.13Å; C125-A129 PolarHBondContact O-N 3.26Å
126R94.9Very high93Very high101 Ų10158 Ų5838%0.38128%0.283SS..THydrogen-bonded Turntrans-45.7-37.5-179-175.2172.9161.9154.1-12.5115.1A111 Q112 H128 E283A111-R126 WeakPolarHBondContact O-CB 3.47Å; Q112-R126 HydrophobicContact CB-CG 4.45Å; Q112-R126 VanDerWaalsContact OE1-CZ 3.27Å; R126-H128 VanDerWaalsContact C-N 3.35Å; R126-E283 IonicContact CZ-OE2 2.94Å; R126-E283 IonicContact NH1-OE2 3.86Å; R126-E283 IonicContact NH2-OE1 2.66Å; R126-E283 PolarHBondContact NH2-OE1 3.37Å; R126-E283 IonicContact NH2-OE2 3.15Å; R126-E283 PolarHBondContact NH2-OE2 3.04Å
127R95.1Very high92.8Very high188 Ų18859.5 Ų59.571%0.70929%0.287SS*.THydrogen-bonded Turntrans-75.6-20.9-178.5-63.9-172.3-64.61661.2114C125C125-R127 PolarHBondContact O-N 2.85Å
128H96.9Very high92.4Very high61 Ų6158.7 Ų58.728%0.28228%0.283SS..THydrogen-bonded Turntrans-118.7-1.1-176.4-57.7135.4000112.7C94 V96 C99 Y124 C125 R126C94-H128 PolarHBondContact SG-ND1 3.15Å; C94-H128 VanDerWaalsContact SG-ND1 3.36Å; V96-H128 HydrophobicContact CG2-CB 3.75Å; C99-H128 VanDerWaalsContact SG-CE1 3.56Å; Y124-H128 HydrophobicContact CD1-CB 4.28Å; Y124-H128 WeakPolarHBondContact CD1-O 3.47Å; C125-H128 CarbonylContact O-C 3.5Å; C125-H128 PolarHBondContact O-N 3.03Å; C125-H128 PolarHBondContact SG-ND1 3.13Å; R126-H128 VanDerWaalsContact C-N 3.35Å
129A94.3Very high92.1Very high14 Ų1458.7 Ų58.712%0.11630%0.296CS..  trans-71.5126.717700000109.9I114 C125I114-A129 HydrophobicContact CD1-CB 4.04Å; I114-A129 HydrophobicContact CG1-CB 3.78Å; I114-A129 HydrophobicContact CG2-CB 4.25Å; C125-A129 PolarHBondContact O-N 3.26Å
130H90.1Very high91.8Very high140 Ų14062.8 Ų62.865%0.64831%0.308SS*.  trans-67.6140.4168.5-175.866.3000109.7
131R88.6Confident91.5Very high90 Ų9056.5 Ų56.534%0.3428%0.276SS..  trans-127.1139.6179.2-62.7-173.8-176.2-82.7-12.8108.9Q112Q112-R131 PolarHBondContact O-NH2 2.98Å
132Q90.6Very high91Very high35 Ų3565.1 Ų65.116%0.16431%0.314CS..  trans-63.5140.9169.7-67.3-179.7-4200109.3L134 H291 T335Q132-L134 VanDerWaalsContact C-N 3.33Å; Q132-L134 HydrophobicContact CB-CD2 3.96Å; Q132-L134 HydrophobicContact CB-CG 4.47Å; Q132-L134 PolarHBondContact O-N 2.95Å; Q132-H291 PolarHBondContact NE2-O 2.97Å; Q132-H291 PolarHBondContact OE1-O 3.26Å; Q132-T335 VanDerWaalsContact CD-CG2 3.41Å; Q132-T335 HydrophobicContact CG-CG2 3.71Å
133D87.8Confident90.4Very high104 Ų10470.8 Ų70.856%0.55634%0.337SS*.  trans-74.891.7164.6-179.79000108.4D135 G136D133-D135 VanDerWaalsContact OD1-CB 3.28Å; D133-D135 WeakPolarHBondContact OD1-CB 3.45Å; D133-D135 PolarHBondContact OD1-N 3.36Å; D133-G136 PolarHBondContact OD1-N 2.95Å
134L90.6Very high89.9Confident3 Ų374.1 Ų74.12%0.01636%0.359CS..  trans-75.4-18.1176.3-60.8-176.8000111.9Q132 W137 L138 T289 H291 W299Q132-L134 VanDerWaalsContact C-N 3.33Å; Q132-L134 HydrophobicContact CB-CD2 3.96Å; Q132-L134 HydrophobicContact CB-CG 4.47Å; Q132-L134 PolarHBondContact O-N 2.95Å; L134-W137 PolarHBondContact O-N 2.93Å; L134-L138 VanDerWaalsContact O-CB 3.29Å; L134-L138 WeakPolarHBondContact O-CB 3.13Å; L134-L138 PolarHBondContact O-N 2.99Å; L134-T289 HydrophobicContact CD1-CG2 4.3Å; L134-H291 HydrophobicContact CD2-CB 3.91Å; L134-W299 HydrophobicContact CB-CH2 4.42Å; L134-W299 HydrophobicContact CB-CZ3 4.37Å; L134-W299 HydrophobicContact CD2-CZ3 4.26Å
135D86.4Confident89.6Confident25 Ų2571.7 Ų71.713%0.13435%0.35CS..Hα-helixtrans-69.9-44.2-169.8-55.8-27.1000109.9D133 W137 L138 A139 H261 K286D133-D135 VanDerWaalsContact OD1-CB 3.28Å; D133-D135 WeakPolarHBondContact OD1-CB 3.45Å; D133-D135 PolarHBondContact OD1-N 3.36Å; D135-W137 VanDerWaalsContact C-N 3.31Å; D135-W137 PolarHBondContact O-N 3.42Å; D135-L138 PolarHBondContact O-N 3.32Å; D135-A139 PolarHBondContact O-N 2.88Å; D135-H261 HydrophobicContact CB-CB 4.49Å; D135-H261 WeakPolarHBondContact CB-CD2 3.18Å; D135-H261 IonicContact OD1-CD2 3.94Å; D135-H261 IonicContact OD1-CE1 3.91Å; D135-H261 IonicContact OD1-NE2 3.16Å; D135-H261 PolarHBondContact OD1-NE2 3.41Å; D135-H261 IonicContact OD2-CD2 2.79Å; D135-H261 IonicContact OD2-CE1 2.73Å; D135-H261 PolarHBondContact OD2-CE1 2.87Å; D135-H261 IonicContact OD2-ND1 3.8Å; D135-H261 IonicContact OD2-NE2 3.72Å; D135-H261 PolarHBondContact OD2-NE2 2.85Å; D135-K286 WeakPolarHBondContact OD1-CE 3.42Å; D135-K286 IonicContact OD1-NZ 3.51Å; D135-K286 PolarHBondContact OD1-NZ 3.21Å; D135-K286 IonicContact OD2-NZ 3.03Å; D135-K286 PolarHBondContact OD2-NZ 3.45Å
136G86.4Confident89.4Confident33 Ų3373.5 Ų73.534%0.3436%0.363SS..Hα-helixtrans-63.9-30.6174.800000114.4D133 Q140D133-G136 PolarHBondContact OD1-N 2.95Å; G136-Q140 PolarHBondContact O-NE2 3.17Å
137W90.9Very high89.5Confident58 Ų5868.7 Ų68.722%0.2235%0.345CS..Hα-helixtrans-76.7-40.6173.8-71.1105.9000111.5L134 D135 A139 Q140 H291 L293 W299L134-W137 PolarHBondContact O-N 2.93Å; D135-W137 VanDerWaalsContact C-N 3.31Å; D135-W137 PolarHBondContact O-N 3.42Å; W137-A139 VanDerWaalsContact C-N 3.28Å; W137-A139 PolarHBondContact O-N 2.79Å; W137-Q140 WeakPolarHBondContact O-CB 3.48Å; W137-Q140 PolarHBondContact O-N 2.78Å; W137-Q140 VanDerWaalsContact O-N 3.08Å; W137-H291 AromaticContact CD1-ND1 3.72Å; W137-H291 AromaticContact CD2-CE1 3.21Å; W137-H291 AromaticContact CD2-ND1 3.29Å; W137-H291 VanDerWaalsContact CD2-ND1 3.29Å; W137-H291 AromaticContact CD2-NE2 3.95Å; W137-H291 AromaticContact CE2-CE1 3.54Å; W137-H291 AromaticContact CE2-ND1 3.33Å; W137-H291 VanDerWaalsContact CE2-ND1 3.33Å; W137-H291 AromaticContact CE3-CE1 3.19Å; W137-H291 AromaticContact CE3-ND1 3.8Å; W137-H291 AromaticContact CE3-NE2 3.77Å; W137-H291 AromaticContact CG-CE1 3.83Å; W137-H291 AromaticContact CG-CG 3.9Å; W137-H291 AromaticContact CG-ND1 3.56Å; W137-H291 AromaticContact CH2-CE1 3.77Å; W137-H291 AromaticContact CZ2-CE1 3.81Å; W137-H291 AromaticContact CZ2-ND1 3.83Å; W137-H291 AromaticContact CZ3-CE1 3.48Å; W137-H291 VanDerWaalsContact CZ3-CE1 3.48Å; W137-H291 WeakPolarHBondContact CZ3-CE1 3.43Å; W137-H291 AromaticContact NE1-ND1 3.6Å; W137-L293 HydrophobicContact CZ2-CB 4.27Å; W137-L293 HydrophobicContact CZ2-CD2 3.86Å; W137-W299 HydrophobicContact CB-CH2 3.85Å; W137-W299 HydrophobicContact CB-CZ2 3.55Å
138L87.9Confident89.5Confident0 Ų060.2 Ų60.20%031%0.314CS..Hα-helixtrans-63.1-37.9-179.1-161.869.3000111.2L134 D135 Q140 C141 P145 I262 P263 W265 L266 W285 W299L134-L138 VanDerWaalsContact O-CB 3.29Å; L134-L138 WeakPolarHBondContact O-CB 3.13Å; L134-L138 PolarHBondContact O-N 2.99Å; D135-L138 PolarHBondContact O-N 3.32Å; L138-Q140 PolarHBondContact O-N 3.25Å; L138-Q140 VanDerWaalsContact O-N 3.11Å; L138-C141 WeakPolarHBondContact O-CB 3.01Å; L138-C141 PolarHBondContact O-N 2.88Å; L138-P145 HydrophobicContact CD1-CG 4.08Å; L138-I262 HydrophobicContact CD2-CG2 4.22Å; L138-P263 HydrophobicContact CB-CG 4.4Å; L138-P263 HydrophobicContact CD2-CG 4.13Å; L138-P263 VanDerWaalsContact CG-CD 3.46Å; L138-P263 HydrophobicContact CG-CG 3.74Å; L138-P263 VanDerWaalsContact O-CG 3.3Å; L138-P263 WeakPolarHBondContact O-CG 3.48Å; L138-W265 HydrophobicContact CD1-CH2 3.94Å; L138-W265 HydrophobicContact CD1-CZ2 3.6Å; L138-W265 HydrophobicContact CG-CZ2 4.23Å; L138-L266 HydrophobicContact CD2-CD2 3.62Å; L138-W285 HydrophobicContact CD1-CH2 4.35Å; L138-W285 HydrophobicContact CD1-CZ2 4.36Å; L138-W285 HydrophobicContact CD2-CH2 3.87Å; L138-W299 HydrophobicContact CB-CH2 4Å; L138-W299 HydrophobicContact CB-CZ2 4.35Å; L138-W299 HydrophobicContact CD1-CH2 3.82Å; L138-W299 HydrophobicContact CD1-CZ2 4.12Å; L138-W299 HydrophobicContact CD1-CZ3 4.4Å
139A85.5Confident89.4Confident71 Ų7157.9 Ų57.959%0.58731%0.305SS*.THydrogen-bonded Turntrans-59.7-19175.200000114.1D135 W137D135-A139 PolarHBondContact O-N 2.88Å; W137-A139 VanDerWaalsContact C-N 3.28Å; W137-A139 PolarHBondContact O-N 2.79Å
140Q84.6Confident89.5Confident112 Ų11258 Ų5852%0.52331%0.305SS..THydrogen-bonded Turntrans-90-11.9178-60.9168.746.100112.7G136 W137 L138 K142G136-Q140 PolarHBondContact O-NE2 3.17Å; W137-Q140 WeakPolarHBondContact O-CB 3.48Å; W137-Q140 PolarHBondContact O-N 2.78Å; W137-Q140 VanDerWaalsContact O-N 3.08Å; L138-Q140 PolarHBondContact O-N 3.25Å; L138-Q140 VanDerWaalsContact O-N 3.11Å; Q140-K142 PolarHBondContact O-N 2.99Å
141C85.9Confident89.7Confident26 Ų2656.7 Ų56.718%0.17630%0.301CS..  trans-79.1119.7-177.6-65.90000110.9L138 E143 W299L138-C141 WeakPolarHBondContact O-CB 3.01Å; L138-C141 PolarHBondContact O-N 2.88Å; C141-E143 WeakPolarHBondContact CB-O 3.48Å; C141-W299 PolarHBondContact SG-NE1 3.23Å
142K83.6Confident90Very high206 Ų20658.8 Ų58.890%0.89631%0.314SS*.SBendtrans-76.8-28.9171.6-63.2-175.8-179.8-177.20112.8Q140Q140-K142 PolarHBondContact O-N 2.99Å
143E84.7Confident90Very high151 Ų15159.7 Ų59.771%0.70632%0.323SS*.SBendtrans-126.5157.7-179.3-67.6179-17500109.4C141C141-E143 WeakPolarHBondContact CB-O 3.48Å
144P87.1Confident90.2Very high72 Ų7254.8 Ų54.847%0.46830%0.297SS..  trans-53.6124.1173.6-25.634.7000111.1V155 W265P144-V155 HydrophobicContact CB-CG2 4.13Å; P144-W265 HydrophobicContact CB-CD2 4.19Å; P144-W265 HydrophobicContact CB-CE3 3.94Å; P144-W265 HydrophobicContact CB-CH2 4.44Å; P144-W265 HydrophobicContact CB-CZ3 4.1Å; P144-W265 HydrophobicContact CG-CD2 3.92Å; P144-W265 HydrophobicContact CG-CE3 3.92Å; P144-W265 HydrophobicContact CG-CG 4.19Å
145P92.1Very high90Very high10 Ų1055.7 Ų55.77%0.06530%0.303CS..  trans-66141-177.324-29.9000111.1L138 V154 W265 W299L138-P145 HydrophobicContact CD1-CG 4.08Å; P145-V154 HydrophobicContact CB-CG2 3.91Å; P145-V154 HydrophobicContact CG-CG2 3.64Å; P145-V154 WeakPolarHBondContact O-CG2 3.42Å; P145-V154 PolarHBondContact O-N 2.99Å; P145-W265 HydrophobicContact CG-CH2 4.17Å; P145-W265 HydrophobicContact CG-CZ2 4.23Å; P145-W299 HydrophobicContact CB-CB 3.96Å; P145-W299 HydrophobicContact CB-CD2 3.77Å; P145-W299 HydrophobicContact CB-CG 3.46Å; P145-W299 VanDerWaalsContact CB-CG 3.46Å; P145-W299 HydrophobicContact CG-CD2 4.07Å; P145-W299 HydrophobicContact CG-CE3 4.43Å; P145-W299 HydrophobicContact CG-CG 4.27Å
146S93.9Very high89.7Confident44 Ų4454.6 Ų54.631%0.30830%0.297SS..BIsolated β-bridgetrans-107.2152.717261.10000110.6C148S146-C148 PolarHBondContact O-N 3.17Å
147C96.5Very high89.2Confident0 Ų058.6 Ų58.60%031%0.311CS..  trans-68.7121.7177.9178.80000109.4V149 C150 L151 F152 V154 W299 H301C147-V149 PolarHBondContact O-N 3.43Å; C147-C150 WeakPolarHBondContact CB-SG 3.4Å; C147-C150 PolarHBondContact O-N 2.83Å; C147-C150 PolarHBondContact SG-SG 3.18Å; C147-L151 WeakPolarHBondContact O-CA 3.44Å; C147-L151 PolarHBondContact O-N 3.37Å; C147-F152 VanDerWaalsContact CB-O 3.29Å; C147-F152 WeakPolarHBondContact CB-O 3.32Å; C147-F152 PolarHBondContact N-O 3.5Å; C147-V154 HydrophobicContact CB-CG1 3.78Å; C147-W299 CarbonylContact C-O 3.23Å; C147-W299 VanDerWaalsContact CA-O 3.29Å; C147-W299 WeakPolarHBondContact CA-O 3.48Å; C147-H301 WeakPolarHBondContact CB-ND1 3.48Å; C147-H301 PolarHBondContact SG-N 3.07Å; C147-H301 VanDerWaalsContact SG-N 3.38Å; C147-H301 PolarHBondContact SG-ND1 3.1Å
148C95.6Very high88.1Confident9 Ų964 Ų646%0.06134%0.336CS..THydrogen-bonded Turntrans-66.8-7.8-178.773.70000114.5S146 W299 M300 P320 Y321S146-C148 PolarHBondContact O-N 3.17Å; C148-W299 PolarHBondContact N-O 2.81Å; C148-M300 WeakPolarHBondContact SG-CG 3.49Å; C148-M300 VanDerWaalsContact SG-SD 3.69Å; C148-P320 HydrophobicContact CB-CB 4.41Å; C148-P320 HydrophobicContact CB-CG 4.32Å; C148-Y321 HydrophobicContact CB-CD2 3.44Å; C148-Y321 VanDerWaalsContact CB-CD2 3.44Å; C148-Y321 HydrophobicContact CB-CE2 3.16Å
149V95.4Very high87.2Confident13 Ų1370.1 Ų70.18%0.07937%0.369CS..THydrogen-bonded Turntrans-99-53.2177.8178.50000111.4C147 M300 C304 F308 F494C147-V149 PolarHBondContact O-N 3.43Å; V149-M300 HydrophobicContact CG2-CG 4.3Å; V149-C304 HydrophobicContact CB-CB 3.93Å; V149-C304 HydrophobicContact CG1-CB 4Å; V149-C304 HydrophobicContact CG2-CB 4.47Å; V149-F308 HydrophobicContact CG1-CB 4.18Å; V149-F308 HydrophobicContact CG2-CB 4.17Å; V149-F308 HydrophobicContact CG2-CD1 4.25Å; V149-F308 HydrophobicContact CG2-CG 4.36Å; V149-F494 HydrophobicContact CG1-CE2 4.23Å; V149-F494 HydrophobicContact CG1-CZ 4.29Å
150C95.5Very high86.4Confident17 Ų1768.5 Ų68.512%0.11535%0.348CS..THydrogen-bonded Turntrans-103.6-4.8-174.471.50000114.2C147 F152 H301 C304C147-C150 WeakPolarHBondContact CB-SG 3.4Å; C147-C150 PolarHBondContact O-N 2.83Å; C147-C150 PolarHBondContact SG-SG 3.18Å; C150-F152 HydrophobicContact CB-CD2 3.85Å; C150-F152 HydrophobicContact CB-CE2 4.4Å; C150-F152 WeakPolarHBondContact O-CD2 3.43Å; C150-F152 PolarHBondContact O-N 3.1Å; C150-H301 VanDerWaalsContact SG-CE1 3.57Å; C150-H301 PolarHBondContact SG-ND1 3.14Å; C150-C304 VanDerWaalsContact SG-SG 3.67Å
151L95Very high85.2Confident111 Ų11165.4 Ų65.458%0.58133%0.334SS*.  trans60.63.9-178.6-50.3179.3000115.3C147C147-L151 WeakPolarHBondContact O-CA 3.44Å; C147-L151 PolarHBondContact O-N 3.37Å
152F93.5Very high84Confident135 Ų13569 Ų6959%0.59236%0.359SS*.SBendtrans-80155.3170.4-61.4-62.7000111.3C147 C150 V154C147-F152 VanDerWaalsContact CB-O 3.29Å; C147-F152 WeakPolarHBondContact CB-O 3.32Å; C147-F152 PolarHBondContact N-O 3.5Å; C150-F152 HydrophobicContact CB-CD2 3.85Å; C150-F152 HydrophobicContact CB-CE2 4.4Å; C150-F152 WeakPolarHBondContact O-CD2 3.43Å; C150-F152 PolarHBondContact O-N 3.1Å; F152-V154 PolarHBondContact O-N 2.84Å
153S91.4Very high82.7Confident53 Ų5363.6 Ų63.637%0.37135%0.347SS..BIsolated β-bridgetrans-52.9134.8176.3-171.80000112.1V155 H301S153-V155 WeakPolarHBondContact OG-CB 3.32Å; S153-V155 VanDerWaalsContact OG-CG2 3.23Å; S153-V155 WeakPolarHBondContact OG-CG2 3.3Å; S153-V155 PolarHBondContact OG-N 3.26Å; S153-V155 VanDerWaalsContact OG-N 3.12Å; S153-H301 PolarHBondContact O-CE1 3.09Å; S153-H301 VanDerWaalsContact O-CE1 3.26Å; S153-H301 PolarHBondContact O-NE2 3.07Å
154V91.6Very high81.1Confident2 Ų257.7 Ų57.71%0.01232%0.323CS..SBendtrans-83.8-3.9167-59.40000112.4P145 C147 F152 W285 T289 W299P145-V154 HydrophobicContact CB-CG2 3.91Å; P145-V154 HydrophobicContact CG-CG2 3.64Å; P145-V154 WeakPolarHBondContact O-CG2 3.42Å; P145-V154 PolarHBondContact O-N 2.99Å; C147-V154 HydrophobicContact CB-CG1 3.78Å; F152-V154 PolarHBondContact O-N 2.84Å; V154-W285 VanDerWaalsContact O-CD1 3.24Å; V154-W285 PolarHBondContact O-NE1 3.16Å; V154-T289 HydrophobicContact CB-CG2 4.17Å; V154-T289 HydrophobicContact CG2-CG2 4.17Å; V154-W299 HydrophobicContact CG1-CB 4.34Å; V154-W299 HydrophobicContact CG2-CB 4.28Å; V154-W299 HydrophobicContact CG2-CE3 4.33Å
155V86.1Confident79.2Confident21 Ų2159 Ų5913%0.12733%0.325CS..SBendtrans-71.9137.1175.4-174.10000108.8P144 S153 D157 W265 L266P144-V155 HydrophobicContact CB-CG2 4.13Å; S153-V155 WeakPolarHBondContact OG-CB 3.32Å; S153-V155 VanDerWaalsContact OG-CG2 3.23Å; S153-V155 WeakPolarHBondContact OG-CG2 3.3Å; S153-V155 PolarHBondContact OG-N 3.26Å; S153-V155 VanDerWaalsContact OG-N 3.12Å; V155-D157 PolarHBondContact O-N 2.99Å; V155-W265 HydrophobicContact CB-CZ3 4.13Å; V155-W265 HydrophobicContact CG1-CZ3 3.89Å; V155-W265 HydrophobicContact CG2-CE3 4.16Å; V155-W265 HydrophobicContact CG2-CH2 3.59Å; V155-W265 HydrophobicContact CG2-CZ3 3.15Å; V155-L266 HydrophobicContact CG1-CD1 3.58Å
156P79.7Confident76.7Confident3 Ų362.1 Ų62.12%0.01935%0.345CS..PPolyproline II helixtrans-58.8133.2175.7-25.638.3000111.2F160 Y269 V281 W285P156-F160 HydrophobicContact CB-CB 3.73Å; P156-F160 HydrophobicContact CB-CD1 3.78Å; P156-F160 HydrophobicContact CB-CD2 3.98Å; P156-F160 HydrophobicContact CB-CE1 4.32Å; P156-F160 HydrophobicContact CB-CG 3.58Å; P156-F160 HydrophobicContact CG-CD1 4.23Å; P156-F160 HydrophobicContact CG-CE1 4.29Å; P156-F160 HydrophobicContact CG-CG 4.36Å; P156-Y269 HydrophobicContact CB-CE1 3.7Å; P156-Y269 WeakPolarHBondContact CB-OH 3.35Å; P156-Y269 HydrophobicContact CG-CE1 4.18Å; P156-Y269 WeakPolarHBondContact O-CE2 3.26Å; P156-V281 HydrophobicContact CB-CG1 4.23Å; P156-V281 HydrophobicContact CG-CG1 4.42Å; P156-W285 VanDerWaalsContact CD-CD1 3.41Å; P156-W285 HydrophobicContact CG-CB 3.65Å; P156-W285 VanDerWaalsContact CG-CD1 3.45Å; P156-W285 HydrophobicContact CG-CG 3.65Å
157D76.3Confident74.2Confident117 Ų11766.3 Ų66.363%0.62636%0.363SS*.PPolyproline II helixtrans-76.8167.8165.7-69.8-39.7000110.4V155 D159 F160 Y269V155-D157 PolarHBondContact O-N 2.99Å; D157-D159 PolarHBondContact O-N 3.08Å; D157-D159 VanDerWaalsContact O-N 3.09Å; D157-F160 WeakPolarHBondContact O-CB 3.21Å; D157-F160 PolarHBondContact O-N 3.39Å; D157-Y269 PolarHBondContact O-OH 2.92Å
158K69.3Low71.5Confident170 Ų17077.7 Ų77.774%0.73941%0.406SS*.THydrogen-bonded Turntrans-58.1-25.7176.7-65.5-173.7179.4-175.80113
159D68.3Low68.7Low130 Ų13087.5 Ų87.570%0.69544%0.442SS*.THydrogen-bonded Turntrans-90.40.3-179.8-59.5-36.9000113.9D157 E161 S162D157-D159 PolarHBondContact O-N 3.08Å; D157-D159 VanDerWaalsContact O-N 3.09Å; D159-E161 PolarHBondContact O-N 2.92Å; D159-E161 VanDerWaalsContact O-N 3.16Å; D159-S162 PolarHBondContact O-N 3.45Å
160F69.4Low65.8Low36 Ų3695.4 Ų95.416%0.15848%0.478CS..Hα-helixtrans-57.1-35.5-171.8-176.8-99.8000113.5P156 D157 S162 S163 V281 A284 W285 H288P156-F160 HydrophobicContact CB-CB 3.73Å; P156-F160 HydrophobicContact CB-CD1 3.78Å; P156-F160 HydrophobicContact CB-CD2 3.98Å; P156-F160 HydrophobicContact CB-CE1 4.32Å; P156-F160 HydrophobicContact CB-CG 3.58Å; P156-F160 HydrophobicContact CG-CD1 4.23Å; P156-F160 HydrophobicContact CG-CE1 4.29Å; P156-F160 HydrophobicContact CG-CG 4.36Å; D157-F160 WeakPolarHBondContact O-CB 3.21Å; D157-F160 PolarHBondContact O-N 3.39Å; F160-S162 VanDerWaalsContact C-N 3.32Å; F160-S162 PolarHBondContact O-N 3.09Å; F160-S163 PolarHBondContact O-N 2.93Å; F160-S163 PolarHBondContact O-OG 3.33Å; F160-V281 HydrophobicContact CD1-CG1 4.04Å; F160-A284 HydrophobicContact CE1-CB 3.89Å; F160-W285 HydrophobicContact CE1-CB 4.26Å; F160-W285 HydrophobicContact CZ-CB 4.36Å; F160-H288 HydrophobicContact CZ-CB 4.22Å
161E59.3Low62.9Low47 Ų47103.6 Ų103.622%0.2251%0.512CS..Hα-helixtrans-54.9-45.8-179.2-166.8-178.8-173.800111.7D159 S163 C164 L165 K277 V281D159-E161 PolarHBondContact O-N 2.92Å; D159-E161 VanDerWaalsContact O-N 3.16Å; E161-S163 PolarHBondContact O-N 3.22Å; E161-S163 VanDerWaalsContact O-N 3.14Å; E161-C164 PolarHBondContact O-N 3.41Å; E161-L165 HydrophobicContact CG-CD1 3.9Å; E161-L165 HydrophobicContact CG-CD2 4.31Å; E161-L165 HydrophobicContact CG-CG 4.03Å; E161-L165 VanDerWaalsContact O-CG 3.31Å; E161-L165 WeakPolarHBondContact O-CG 3.35Å; E161-L165 PolarHBondContact O-N 3.13Å; E161-K277 VanDerWaalsContact OE2-CD 3.28Å; E161-K277 WeakPolarHBondContact OE2-CD 3.48Å; E161-K277 VanDerWaalsContact OE2-CE 3.29Å; E161-K277 WeakPolarHBondContact OE2-CE 3.27Å; E161-K277 IonicContact OE2-NZ 2.75Å; E161-K277 PolarHBondContact OE2-NZ 3.45Å; E161-V281 HydrophobicContact CB-CG2 4.35Å; E161-V281 HydrophobicContact CG-CG2 4.44Å
162S59.5Low60Low101 Ų101104 Ų10471%0.70652%0.524SS*.Hα-helixtrans-61.3-29.3-175.8-53.60000113.5D159 F160D159-S162 PolarHBondContact O-N 3.45Å; F160-S162 VanDerWaalsContact C-N 3.32Å; F160-S162 PolarHBondContact O-N 3.09Å
163S57Low57.2Low93 Ų93103.5 Ų103.565%0.6553%0.531SS*.Hα-helixtrans-81.5-19.8-179.571.30000113.6F160 E161F160-S163 PolarHBondContact O-N 2.93Å; F160-S163 PolarHBondContact O-OG 3.33Å; E161-S163 PolarHBondContact O-N 3.22Å; E161-S163 VanDerWaalsContact O-N 3.14Å
164C51.8Low54.5Low27 Ų27106.1 Ų106.118%0.18255%0.547CS..Hα-helixtrans-109.3-10.4-170.8-64.10000113.4E161 A284 H288E161-C164 PolarHBondContact O-N 3.41Å; C164-A284 HydrophobicContact CB-CB 4.03Å; C164-H288 PolarHBondContact SG-CD2 3.38Å
165L45.7Very low51.6Low99 Ų99113.6 Ų113.652%0.51859%0.587SS.*SBendtrans-74.9136.7-177.2-73.6175.8000112.2E161 I167E161-L165 HydrophobicContact CG-CD1 3.9Å; E161-L165 HydrophobicContact CG-CD2 4.31Å; E161-L165 HydrophobicContact CG-CG 4.03Å; E161-L165 VanDerWaalsContact O-CG 3.31Å; E161-L165 WeakPolarHBondContact O-CG 3.35Å; E161-L165 PolarHBondContact O-N 3.13Å; L165-I167 PolarHBondContact O-N 3.42Å
166P41Very low49.5Very low76 Ų76120.9 Ų120.949%0.49462%0.619SS.*  trans-63.6131.8171.325.6-30.9000109.2R168P166-R168 PolarHBondContact O-N 3.34Å
167I39.8Very low47.5Very low132 Ų132125.6 Ų125.668%0.67765%0.652SS**  trans-46.1103.7173-60.2169.3000108.2L165 R169L165-I167 PolarHBondContact O-N 3.42Å; I167-R169 PolarHBondContact O-N 3.43Å
168R39.7Very low45.6Very low240 Ų240128.5 Ų128.591%0.90667%0.667SS**  trans-61.1124.7172.7-123.2-179.8179.3-166.31.4106.1P166 Q170P166-R168 PolarHBondContact O-N 3.34Å; R168-Q170 PolarHBondContact O-N 3.22Å
169R37.3Very low44.1Very low215 Ų215125.4 Ų125.481%0.81167%0.673SS**  trans-22.4104.8178.6-67.5177.6173.9-173.9-1.7112.5I167 K171I167-R169 PolarHBondContact O-N 3.43Å; R169-K171 VanDerWaalsContact C-N 3.32Å; R169-K171 PolarHBondContact O-N 2.68Å
170Q35.8Very low42.6Very low179 Ų179128.6 Ų128.684%0.83668%0.681SS**  trans-62.6106.5151.5-77.2-174.6-8.100105.4R168 S172R168-Q170 PolarHBondContact O-N 3.22Å; Q170-S172 PolarHBondContact O-N 3.23Å
171K34.5Very low41Very low189 Ų189135.7 Ų135.782%0.82271%0.712SS**  trans-57.8108.1165.5-81.4177.9175.4177.50105.8R169 V173R169-K171 VanDerWaalsContact C-N 3.32Å; R169-K171 PolarHBondContact O-N 2.68Å; K171-V173 PolarHBondContact O-N 3.07Å
172S32.5Very low39.9Very low119 Ų119141.4 Ų141.483%0.83274%0.738SS**  trans-53.7110.7158.352.60000107.5Q170Q170-S172 PolarHBondContact O-N 3.23Å
173V35.3Very low38.6Very low124 Ų124144.5 Ų144.575%0.75275%0.745SS**  trans-98.8137.5161.7-179.80000106.5K171K171-V173 PolarHBondContact O-N 3.07Å
174P35.3Very low37.7Very low108 Ų108145.7 Ų145.770%0.70175%0.748SS**  trans-75.5145.3-163.9-6.924.4000112.1H176P174-H176 PolarHBondContact O-N 2.71Å
175N30.8Very low36.8Very low160 Ų160150 Ų15086%0.85678%0.776SS**  trans-59.2115.9162.4-78.7-23.3000109.8
176H40.5Very low36.5Very low174 Ų174151.5 Ų151.581%0.80679%0.789SS**  trans-148128151.2-98.7-77.1000111P174P174-H176 PolarHBondContact O-N 2.71Å
177S39.3Very low36.1Very low101 Ų101155 Ų15571%0.70680%0.803SS**  trans66.6106.3151.945.50000120.9
178L35.9Very low36.1Very low178 Ų178156 Ų15693%0.93281%0.809SS**  27.9106.2121.5-77.5143.9000117.6
179A37.8Very low35.7Very low106 Ų106152 Ų15288%0.87680%0.801SS**  trans-173.6145.313100000111.3
180K36.8Very low35.7Very low197 Ų197149.1 Ų149.186%0.85780%0.8SS**  trans-67.9166.2-174.7-70.5167.71691760114.2
181K35.9Very low35.4Very low185 Ų185151.9 Ų151.980%0.80480%0.803SS**  trans89.2139164.7-59.6-178.4172.4-171.60114
182E36.4Very low35.5Very low166 Ų166153.7 Ų153.778%0.77680%0.804SS**  cis-160152.89.4-133.7160.8-17200107.4
183I32.3Very low35.5Very low167 Ų167154 Ų15486%0.85680%0.801SS**  trans-82.3125.1-177.2-63.7165.8000109.2
184V38.1Very low35.5Very low118 Ų118159.1 Ų159.172%0.71581%0.807SS**  trans-138.3126.6162.3-174.40000108.5
185P32.6Very low35.5Very low118 Ų118164.9 Ų164.977%0.76682%0.815SS**  trans-86120.8178.533.1-27.4000109.4
186V38.8Very low35.6Very low130 Ų130162 Ų16279%0.78881%0.807SS**  trans-97.1101.3166.3176.60000108.2
187L32.4Very low35.1Very low149 Ų149159.7 Ų159.778%0.7881%0.809SS**  trans-61.3122.7153.5-147.792.4000107
188N40Very low35Very low152 Ų152161 Ų16181%0.81381%0.813SS**  trans-154.6128.6142.9-114-4.8000112.4
189E31.6Very low34.8Very low158 Ų158156.3 Ų156.374%0.73880%0.8SS**  trans-69.4141.7-175.4-54.1-177130.300112.2
190I36.5Very low34.6Very low153 Ų153157.5 Ų157.579%0.78580%0.798SS**  -143.385121-56.4-173000106.9R192I190-R192 HydrophobicContact CG2-CG 4.22Å; I190-R192 PolarHBondContact O-N 3.21Å
191R30.3Very low34.5Very low237 Ų237153.7 Ų153.789%0.89480%0.797SS**  trans-74.197.5161.4-87.9-177.7-175.7175.12.7107.8
192R37.3Very low34.5Very low227 Ų227151.3 Ų151.386%0.85780%0.798SS**  trans-89.5115.7154.9-85.3-176.4178.3161.81108.5I190 R194I190-R192 HydrophobicContact CG2-CG 4.22Å; I190-R192 PolarHBondContact O-N 3.21Å; R192-R194 PolarHBondContact O-N 3.37Å
193T32.5Very low34.4Very low126 Ų126147.3 Ų147.377%0.77379%0.786SS**  trans-51.2115.7177.941.50000111R195T193-R195 PolarHBondContact O-N 3.38Å
194R34.6Very low34.7Very low232 Ų232149.3 Ų149.388%0.87579%0.789SS**  trans-60.8108.7159.4-91.4-169.9-176.4-162.64.1106.8R192 S196R192-R194 PolarHBondContact O-N 3.37Å; R194-S196 PolarHBondContact O-N 2.91Å
195R36.3Very low34.2Very low229 Ų229154.1 Ų154.186%0.86479%0.794SS**  trans-61.3120161.6-76.2-176.8-174.1-1141.3107.3T193 C197T193-R195 PolarHBondContact O-N 3.38Å; R195-C197 PolarHBondContact O-N 2.85Å
196S32.1Very low34.2Very low98 Ų98156.6 Ų156.669%0.68580%0.799SS**  trans-49.8123.3164.9162.80000110.1R194R194-S196 PolarHBondContact O-N 2.91Å
197C30.4Very low33.7Very low127 Ų127155.9 Ų155.986%0.85880%0.795SS**  trans-117.678.1158.49.20000108.1R195R195-C197 PolarHBondContact O-N 2.85Å
198V36.6Very low33.8Very low129 Ų129155.4 Ų155.478%0.78280%0.798SS**  trans-82.6133.3151.5177.70000105.2
199A31.5Very low33.3Very low79 Ų79152.6 Ų152.665%0.65379%0.79SS**  cis-160.7149.4-2.500000107.3
200P34.8Very low33.5Very low130 Ų130152.9 Ų152.984%0.84480%0.797SS**PPolyproline II helixtrans-80.5134.9159-0.819.7000109.7
201S32.8Very low33.3Very low118 Ų118148.8 Ų148.883%0.82579%0.792SS**PPolyproline II helixtrans-55.5138.6-172.9-34.50000114.3
202T36.8Very low33.5Very low134 Ų134146.5 Ų146.582%0.82279%0.794SS**PPolyproline II helixtrans-67139.1169.743.90000111.7
203P35.3Very low33.6Very low83 Ų83140.9 Ų140.954%0.53979%0.79SS.*PPolyproline II helixtrans-78.9150.5169.535.7-36.5000111.3
204K36.6Very low33.5Very low208 Ų208140 Ų14090%0.90479%0.789SS**PPolyproline II helixtrans-69.4131.1-169-75.8169.7173.6167.40116.3
205R29.5Very low33.5Very low219 Ų219135.7 Ų135.783%0.82679%0.788SS**  57.1112.9128.6-165.9-179.2-78.8-160-4.2121.1
206I30.9Very low33.2Very low171 Ų171133.5 Ų133.588%0.87779%0.785SS**  trans-115.5136.2143-63.6174.3000107.2
207T28.8Very low33.2Very low115 Ų115140.4 Ų140.471%0.70680%0.796SS**  trans-91.5129.7-168.5-52.20000111.4
208V34.5Very low33.1Very low138 Ų138144.9 Ų144.984%0.83680%0.795SS**  trans-141.1142.7157.7-151.70000108.9
209S30.7Very low32.8Very low93 Ų93150.2 Ų150.265%0.6580%0.802SS**  trans-81.7164.2-155.945.50000117.6
210N35.8Very low33Very low164 Ų164151.8 Ų151.888%0.87781%0.809SS**  trans99.3125.3155.1-68.3-5.2000119.1
211G31.1Very low32.8Very low67 Ų67154.5 Ų154.569%0.69181%0.81SS**  trans116.186.4144.400000117.2
212M35.9Very low33Very low189 Ų189153.9 Ų153.993%0.93181%0.805SS**  trans80.4124.3138-64.2161.966.900121
213S38.7Very low32.9Very low109 Ų109154.3 Ų154.376%0.76280%0.803SS**  trans84.791.9136.6-174.70000119.8
214S30.4Very low32.7Very low109 Ų109156.7 Ų156.776%0.76282%0.816SS**  25.2122.6129.5-64.70000119.6
215V33.9Very low32.6Very low140 Ų140151.4 Ų151.485%0.84881%0.805SS**  -174.3128.3114.3152.50000110
216K30.2Very low32.8Very low184 Ų184146.7 Ų146.780%0.880%0.801SS**  trans-75142.6178.5-88.7167.8170.4164.60112.1
217R32Very low33.1Very low242 Ų242150.5 Ų150.591%0.91381%0.805SS**  trans-156.2124.4134.9-122.2178.3-82.1173.9-4.9112.5
218R28.7Very low33.5Very low222 Ų222153.4 Ų153.484%0.83881%0.81SS**  trans-81.6149.2171-76-173.2-109-147.4-1.8109.5
219Y30.7Very low33.6Very low241 Ų241155 Ų15595%0.94581%0.813SS**  trans-149.5137.7138.4-120.2-85.6000111.2
220S34.3Very low34.2Very low112 Ų112156.7 Ų156.778%0.78382%0.822SS**  trans-90.4155.1-167.7-162.60000112.2
221Q30.5Very low34.2Very low186 Ų186152.2 Ų152.287%0.86981%0.814SS**  trans-82148.9164-70.8174.5-2400110.7
222S38.5Very low34.4Very low105 Ų105154.8 Ų154.873%0.73482%0.822SS**  trans-170.4113.4150.153.40000111.3
223D34.7Very low34.6Very low144 Ų144151 Ų15177%0.7781%0.814SS**  55122.5123.2-59.3-20.7000124.4
224T30.4Very low34.6Very low132 Ų132150.9 Ų150.981%0.8181%0.813SS**  61.1121.8128.662.60000123.3
225S35.6Very low35.2Very low98 Ų98151.4 Ų151.469%0.68582%0.817SS**  trans-174.5111.6132.868.30000109.7
226T32.4Very low35.2Very low120 Ų120153.6 Ų153.674%0.73682%0.818SS**  57.311489.8-48.80000115.1
227W38Very low35.8Very low251 Ų251150.1 Ų150.195%0.95181%0.814SS**  trans-133.6116.7160.3-80.3102.1000109.4
228E37Very low36.2Very low176 Ų176146.9 Ų146.982%0.82281%0.809SS**  trans-96.6155170-68.4-165.3151.900111.2
229L36Very low36.4Very low170 Ų170144.5 Ų144.589%0.8981%0.807SS**  trans-93.1153.3172-68.6162.2000110.6
230P43Very low37Very low130 Ų130142.3 Ų142.384%0.84481%0.806SS**  trans-110.3143.1158.88.512.5000112.9
231G36.4Very low37.2Very low69 Ų69144.3 Ų144.371%0.71181%0.808SS**  trans-97.9171.4-177.300000117
232S35Very low37.7Very low121 Ų121140.2 Ų140.285%0.84680%0.797SS**  trans51.4122.4143.659.80000121.9
233S40.5Very low37.9Very low109 Ų109141.8 Ų141.876%0.76280%0.802SS**  175130.799.359.60000114.5
234S37.6Very low38.1Very low108 Ų108144 Ų14476%0.75581%0.808SS**  trans48121.9142.261.40000122.6
235S42.8Very low38.6Very low120 Ų120145.8 Ų145.884%0.83981%0.807SS**  167.5130.587.653.20000112.2
236E35.6Very low38.5Very low186 Ų186147.1 Ų147.187%0.86981%0.814SS**  trans-86.6-175.5167.5-74.7-159.7124.200111.7
237P42.3Very low38.7Very low110 Ų110150.7 Ų150.771%0.71482%0.819SS**  cis-133.8-172.4-11.218.48.6000114.3
238E40.4Very low38.5Very low174 Ų174145.1 Ų145.181%0.81381%0.813SS**  trans129.595.7136-142.3171.5166.900117.8
239E33.4Very low38.5Very low172 Ų172145.7 Ų145.780%0.80482%0.815SS**  trans38.1116.4130.7-154.3165.8174.200122.6
240Q42.5Very low38.7Very low195 Ų195147.2 Ų147.291%0.91181%0.814SS**  trans-174128.2130-99.6164.737.200112
241N38.7Very low38.8Very low155 Ų155149.2 Ų149.283%0.82981%0.812SS**  trans-104.5177173.8-136.4-12.7000108.2
242P40.3Very low39.8Very low100 Ų100150.9 Ų150.965%0.64981%0.813SS**  cis-137.1158.4-12.437.8-19.5000114.9
243V43Very low41Very low138 Ų138149 Ų14984%0.83680%0.796SS**  trans-140.4124154.7178.70000110.3
244Q39.7Very low42.2Very low190 Ų190149.3 Ų149.389%0.88879%0.794SS**  trans-67.6130.6-179.8-70.3165.1-17.600112.1
245Q41.1Very low43.7Very low169 Ų169145.7 Ų145.779%0.7977%0.766SS**  trans-142.2148.8161.1-77.6-166.20.300110.2
246P32.6Very low45.3Very low127 Ų127142.1 Ų142.183%0.82574%0.74SS**  trans-80.3123.5-150.732-32.5000111.3
247K36.1Very low47.4Very low195 Ų195138.6 Ų138.685%0.84874%0.736SS**  trans-109.9107175.6-71.1-177-178.5175.40110.1
248T33.6Very low48.9Very low133 Ų133136.5 Ų136.582%0.81672%0.724SS**  trans-37.6129.2166.241.80000112.4K250T248-K250 PolarHBondContact O-N 3.13Å
249H38.6Very low50.7Low188 Ų188128.2 Ų128.287%0.8769%0.685SS**  trans-57.9105.2168.3-93-102.1000108.9E251H249-E251 VanDerWaalsContact C-N 3.3Å; H249-E251 PolarHBondContact O-N 2.78Å
250K39.1Very low53Low203 Ų203124.8 Ų124.888%0.88368%0.68SS**  trans-69.393.4158-90-179.5173.1179.10106.5T248 S252T248-K250 PolarHBondContact O-N 3.13Å; K250-S252 PolarHBondContact O-N 2.79Å; K250-S252 VanDerWaalsContact O-N 3.08Å
251E45.4Very low54.9Low171 Ų171118.7 Ų118.780%0.79965%0.651SS**  trans-57.6112.7162.2-83.4-178.7147.200107.9H249 V253H249-E251 VanDerWaalsContact C-N 3.3Å; H249-E251 PolarHBondContact O-N 2.78Å; E251-V253 PolarHBondContact O-N 2.95Å
252S56.5Low57Low104 Ų104111.9 Ų111.973%0.72762%0.615SS**  trans-65.899.2173.953.70000108.6K250 T254K250-S252 PolarHBondContact O-N 2.79Å; K250-S252 VanDerWaalsContact O-N 3.08Å; S252-T254 PolarHBondContact O-N 3.5Å; S252-T254 VanDerWaalsContact O-N 3.11Å; S252-T254 PolarHBondContact O-OG1 3.26Å
253V60.9Low59.2Low81 Ų81108.2 Ų108.249%0.49159%0.591SS.*  trans-66.9109.9178.3179.40000109.4E251 L271 R278E251-V253 PolarHBondContact O-N 2.95Å; V253-L271 HydrophobicContact CG1-CD2 4.08Å; V253-R278 VanDerWaalsContact CG1-CZ 3.47Å; V253-R278 VanDerWaalsContact CG1-NH2 3.35Å
254T66.5Low61.2Low117 Ų117109.1 Ų109.172%0.71859%0.586SS**PPolyproline II helixtrans-97.2136.7-179.8-19.60000110.7S252S252-T254 PolarHBondContact O-N 3.5Å; S252-T254 VanDerWaalsContact O-N 3.11Å; S252-T254 PolarHBondContact O-OG1 3.26Å
255L69.4Low63.3Low32 Ų32102.9 Ų102.917%0.16856%0.555CS.*PPolyproline II helixtrans-66.9147.1170.2-87.2156.5000110.5M259 T267 F270 L271L255-M259 HydrophobicContact CB-CB 4.23Å; L255-M259 HydrophobicContact CD2-CB 3.93Å; L255-M259 HydrophobicContact CD2-CE 3.56Å; L255-M259 HydrophobicContact CD2-CG 4.4Å; L255-M259 HydrophobicContact CD2-SD 3.61Å; L255-T267 HydrophobicContact CD1-CG2 3.54Å; L255-F270 HydrophobicContact CD2-CB 4.14Å; L255-L271 HydrophobicContact CD1-CD1 4.36Å; L255-L271 HydrophobicContact CD1-CD2 4.16Å; L255-L271 HydrophobicContact CD1-CG 4.01Å; L255-L271 HydrophobicContact CD2-CD2 4.49Å; L255-L271 HydrophobicContact CG-CD2 3.76Å; L255-L271 HydrophobicContact CG-CG 4.13Å
256P75.7Confident65.5Low45 Ų4594.9 Ų94.929%0.29252%0.517SS..PPolyproline II helixtrans-53.1144.3169.2-23.733.8000110.8S258 M259 L279P256-S258 PolarHBondContact O-N 3.36Å; P256-M259 HydrophobicContact CG-SD 4.26Å; P256-M259 WeakPolarHBondContact O-CB 3.48Å; P256-M259 PolarHBondContact O-N 3.29Å; P256-L279 HydrophobicContact CB-CD2 4.19Å; P256-L279 HydrophobicContact CG-CD1 4.31Å; P256-L279 HydrophobicContact CG-CD2 3.83Å; P256-L279 HydrophobicContact CG-CG 4.04Å
257S78.9Confident68.1Low111 Ų11190.1 Ų90.178%0.77649%0.486SS*.G310 helixtrans-56.1-23.8-179.6-49.10000113.5M259 S260S257-M259 PolarHBondContact O-N 2.94Å; S257-S260 PolarHBondContact O-OG 3.29Å
258S75.3Confident70.5Confident67 Ų6785.4 Ų85.447%0.46947%0.47SS..G310 helixtrans-69.2-3.1173.163.60000114.6P256 H261P256-S258 PolarHBondContact O-N 3.36Å; S258-H261 PolarHBondContact O-CE1 3.45Å
259M78.6Confident73Confident0 Ų080.5 Ų80.50%044%0.437CS..G310 helixtrans-123.33.1-176.8-65.1-176.572.600112.6L255 P256 S257 H261 I262 F270 L279 F282L255-M259 HydrophobicContact CB-CB 4.23Å; L255-M259 HydrophobicContact CD2-CB 3.93Å; L255-M259 HydrophobicContact CD2-CE 3.56Å; L255-M259 HydrophobicContact CD2-CG 4.4Å; L255-M259 HydrophobicContact CD2-SD 3.61Å; P256-M259 HydrophobicContact CG-SD 4.26Å; P256-M259 WeakPolarHBondContact O-CB 3.48Å; P256-M259 PolarHBondContact O-N 3.29Å; S257-M259 PolarHBondContact O-N 2.94Å; M259-H261 PolarHBondContact O-N 3.07Å; M259-I262 HydrophobicContact CB-CD1 3.62Å; M259-I262 HydrophobicContact CB-CG1 4.42Å; M259-I262 HydrophobicContact CE-CD1 3.56Å; M259-I262 HydrophobicContact CG-CD1 3.93Å; M259-I262 WeakPolarHBondContact O-CB 3.47Å; M259-I262 VanDerWaalsContact O-CG1 3.27Å; M259-I262 WeakPolarHBondContact O-CG1 3.5Å; M259-I262 PolarHBondContact O-N 3Å; M259-F270 HydrophobicContact CE-CB 3.82Å; M259-F270 HydrophobicContact CE-CD1 3.94Å; M259-F270 HydrophobicContact CE-CD2 3.39Å; M259-F270 HydrophobicContact CE-CE1 4.39Å; M259-F270 HydrophobicContact CE-CE2 3.86Å; M259-F270 HydrophobicContact CE-CG 3.45Å; M259-F270 VanDerWaalsContact CE-CG 3.45Å; M259-F270 HydrophobicContact CE-CZ 4.38Å; M259-L279 HydrophobicContact SD-CD2 4.26Å; M259-F282 HydrophobicContact CE-CB 3.77Å; M259-F282 HydrophobicContact CE-CD1 4.29Å; M259-F282 HydrophobicContact CE-CD2 3.8Å; M259-F282 HydrophobicContact CE-CE2 4.38Å; M259-F282 HydrophobicContact CE-CG 3.7Å; M259-F282 HydrophobicContact CG-CD1 3.92Å; M259-F282 HydrophobicContact CG-CE1 3.83Å; M259-F282 HydrophobicContact CG-CG 4.29Å; M259-F282 HydrophobicContact CG-CZ 4.11Å; M259-F282 HydrophobicContact SD-CB 4.22Å; M259-F282 HydrophobicContact SD-CD1 4.16Å; M259-F282 HydrophobicContact SD-CG 4.13Å
260S80.1Confident75.3Confident99 Ų9971.6 Ų71.669%0.69240%0.395SS*.THydrogen-bonded Turntrans-70.2-15.5-175.363.20000114.5S257 I262S257-S260 PolarHBondContact O-OG 3.29Å; S260-I262 VanDerWaalsContact C-N 3.32Å
261H83.2Confident77.5Confident68 Ų6864.6 Ų64.632%0.31537%0.367SS..THydrogen-bonded Turntrans-86-3.5177.753-109.7000113.3D135 S258 M259D135-H261 HydrophobicContact CB-CB 4.49Å; D135-H261 WeakPolarHBondContact CB-CD2 3.18Å; D135-H261 IonicContact OD1-CD2 3.94Å; D135-H261 IonicContact OD1-CE1 3.91Å; D135-H261 IonicContact OD1-NE2 3.16Å; D135-H261 PolarHBondContact OD1-NE2 3.41Å; D135-H261 IonicContact OD2-CD2 2.79Å; D135-H261 IonicContact OD2-CE1 2.73Å; D135-H261 PolarHBondContact OD2-CE1 2.87Å; D135-H261 IonicContact OD2-ND1 3.8Å; D135-H261 IonicContact OD2-NE2 3.72Å; D135-H261 PolarHBondContact OD2-NE2 2.85Å; S258-H261 PolarHBondContact O-CE1 3.45Å; M259-H261 PolarHBondContact O-N 3.07Å
262I82.9Confident79.5Confident11 Ų1160.3 Ų60.36%0.05636%0.356CS..SBendtrans-75.5132.6-174.8-64.4175.4000109.2L138 M259 S260 L266 T267 F270 F282L138-I262 HydrophobicContact CD2-CG2 4.22Å; M259-I262 HydrophobicContact CB-CD1 3.62Å; M259-I262 HydrophobicContact CB-CG1 4.42Å; M259-I262 HydrophobicContact CE-CD1 3.56Å; M259-I262 HydrophobicContact CG-CD1 3.93Å; M259-I262 WeakPolarHBondContact O-CB 3.47Å; M259-I262 VanDerWaalsContact O-CG1 3.27Å; M259-I262 WeakPolarHBondContact O-CG1 3.5Å; M259-I262 PolarHBondContact O-N 3Å; S260-I262 VanDerWaalsContact C-N 3.32Å; I262-L266 HydrophobicContact CG2-CB 3.43Å; I262-L266 VanDerWaalsContact CG2-CB 3.43Å; I262-L266 HydrophobicContact CG2-CD2 3.6Å; I262-L266 HydrophobicContact CG2-CG 3.65Å; I262-T267 PolarHBondContact O-OG1 2.83Å; I262-F270 HydrophobicContact CD1-CD2 4.03Å; I262-F270 HydrophobicContact CD1-CE2 3.98Å; I262-F282 HydrophobicContact CD1-CD2 3.82Å; I262-F282 HydrophobicContact CD1-CE2 3.25Å; I262-F282 HydrophobicContact CD1-CZ 3.75Å; I262-F282 HydrophobicContact CG1-CE2 4.01Å; I262-F282 HydrophobicContact CG1-CZ 4.33Å
263P85.6Confident80.8Confident23 Ų2356.4 Ų56.415%0.14933%0.327CS..  trans-55.9150.9174.1-28.538.3000113.3L138 W265 L266 T267L138-P263 HydrophobicContact CB-CG 4.4Å; L138-P263 HydrophobicContact CD2-CG 4.13Å; L138-P263 VanDerWaalsContact CG-CD 3.46Å; L138-P263 HydrophobicContact CG-CG 3.74Å; L138-P263 VanDerWaalsContact O-CG 3.3Å; L138-P263 WeakPolarHBondContact O-CG 3.48Å; P263-W265 VanDerWaalsContact C-N 3.28Å; P263-W265 HydrophobicContact CB-CG 4.45Å; P263-W265 PolarHBondContact O-N 3.37Å; P263-L266 PolarHBondContact O-N 2.83Å; P263-T267 PolarHBondContact O-N 2.93Å; P263-T267 PolarHBondContact O-OG1 3.16Å
264E84.5Confident82Confident158 Ų15854.4 Ų54.474%0.73832%0.319SS*.Hα-helixtrans-49.7-45.7-175.8-172172.2-166.100113.1L266 T267 D268E264-L266 PolarHBondContact O-N 3.22Å; E264-L266 VanDerWaalsContact O-N 3.14Å; E264-T267 WeakPolarHBondContact O-CA 3.49Å; E264-T267 VanDerWaalsContact O-CB 3.31Å; E264-T267 WeakPolarHBondContact O-CB 3.26Å; E264-T267 PolarHBondContact O-N 3.33Å; E264-T267 VanDerWaalsContact O-N 3.08Å; E264-D268 PolarHBondContact O-N 2.91Å
265W85.6Confident82.8Confident59 Ų5953 Ų5322%0.22331%0.311CS..Hα-helixtrans-60.2-29-179.265.2-102.3000113.8L138 P144 P145 V155 P263L138-W265 HydrophobicContact CD1-CH2 3.94Å; L138-W265 HydrophobicContact CD1-CZ2 3.6Å; L138-W265 HydrophobicContact CG-CZ2 4.23Å; P144-W265 HydrophobicContact CB-CD2 4.19Å; P144-W265 HydrophobicContact CB-CE3 3.94Å; P144-W265 HydrophobicContact CB-CH2 4.44Å; P144-W265 HydrophobicContact CB-CZ3 4.1Å; P144-W265 HydrophobicContact CG-CD2 3.92Å; P144-W265 HydrophobicContact CG-CE3 3.92Å; P144-W265 HydrophobicContact CG-CG 4.19Å; P145-W265 HydrophobicContact CG-CH2 4.17Å; P145-W265 HydrophobicContact CG-CZ2 4.23Å; V155-W265 HydrophobicContact CB-CZ3 4.13Å; V155-W265 HydrophobicContact CG1-CZ3 3.89Å; V155-W265 HydrophobicContact CG2-CE3 4.16Å; V155-W265 HydrophobicContact CG2-CH2 3.59Å; V155-W265 HydrophobicContact CG2-CZ3 3.15Å; P263-W265 VanDerWaalsContact C-N 3.28Å; P263-W265 HydrophobicContact CB-CG 4.45Å; P263-W265 PolarHBondContact O-N 3.37Å
266L86.3Confident83.5Confident0 Ų057.7 Ų57.70%033%0.333CS..Hα-helixtrans-92.1-30.9176.8-172.165.4000111.3L138 V155 I262 P263 E264 D268 Y269 F270 W285L138-L266 HydrophobicContact CD2-CD2 3.62Å; V155-L266 HydrophobicContact CG1-CD1 3.58Å; I262-L266 HydrophobicContact CG2-CB 3.43Å; I262-L266 VanDerWaalsContact CG2-CB 3.43Å; I262-L266 HydrophobicContact CG2-CD2 3.6Å; I262-L266 HydrophobicContact CG2-CG 3.65Å; P263-L266 PolarHBondContact O-N 2.83Å; E264-L266 PolarHBondContact O-N 3.22Å; E264-L266 VanDerWaalsContact O-N 3.14Å; L266-D268 VanDerWaalsContact C-N 3.3Å; L266-D268 PolarHBondContact O-N 2.71Å; L266-Y269 HydrophobicContact CD1-CD1 4.47Å; L266-Y269 WeakPolarHBondContact O-CB 3.26Å; L266-Y269 PolarHBondContact O-N 3.3Å; L266-F270 HydrophobicContact CD1-CD2 4.33Å; L266-F270 HydrophobicContact CD1-CE2 3.79Å; L266-F270 HydrophobicContact CD1-CZ 4.24Å; L266-F270 HydrophobicContact CD2-CD2 4.41Å; L266-F270 HydrophobicContact CD2-CE2 3.6Å; L266-F270 HydrophobicContact CD2-CZ 4.38Å; L266-F270 HydrophobicContact CG-CD2 3.81Å; L266-F270 HydrophobicContact CG-CE2 3.4Å; L266-F270 HydrophobicContact CG-CZ 4.3Å; L266-F270 VanDerWaalsContact O-CD2 3.25Å; L266-F270 WeakPolarHBondContact O-CD2 3.39Å; L266-F270 PolarHBondContact O-N 2.9Å; L266-W285 HydrophobicContact CD2-CH2 4.05Å; L266-W285 HydrophobicContact CD2-CZ2 4.15Å; L266-W285 HydrophobicContact CD2-CZ3 4.25Å
267T86.8Confident83.8Confident27 Ų2759 Ų5917%0.16633%0.334CS..Hα-helixtrans-56-45.4170.9-740000111L255 I262 P263 E264 Y269 F270 L271L255-T267 HydrophobicContact CD1-CG2 3.54Å; I262-T267 PolarHBondContact O-OG1 2.83Å; P263-T267 PolarHBondContact O-N 2.93Å; P263-T267 PolarHBondContact O-OG1 3.16Å; E264-T267 WeakPolarHBondContact O-CA 3.49Å; E264-T267 VanDerWaalsContact O-CB 3.31Å; E264-T267 WeakPolarHBondContact O-CB 3.26Å; E264-T267 PolarHBondContact O-N 3.33Å; E264-T267 VanDerWaalsContact O-N 3.08Å; T267-Y269 VanDerWaalsContact C-N 3.34Å; T267-Y269 PolarHBondContact O-N 2.88Å; T267-F270 PolarHBondContact O-N 3.45Å; T267-L271 HydrophobicContact CG2-CD1 3.61Å; T267-L271 HydrophobicContact CG2-CG 4.22Å; T267-L271 WeakPolarHBondContact O-CB 3.46Å; T267-L271 WeakPolarHBondContact O-CG 3.33Å; T267-L271 PolarHBondContact O-N 2.83Å
268D86.1Confident84Confident97 Ų9754.8 Ų54.852%0.51930%0.301SS..Hα-helixtrans-58.9-44.5176.5-73.8-15.1000112.4E264 L266 L271 S272E264-D268 PolarHBondContact O-N 2.91Å; L266-D268 VanDerWaalsContact C-N 3.3Å; L266-D268 PolarHBondContact O-N 2.71Å; D268-L271 PolarHBondContact O-N 3.16Å; D268-S272 WeakPolarHBondContact O-CB 3.47Å; D268-S272 PolarHBondContact O-N 2.95Å
269Y86.6Confident84.3Confident30 Ų3055.2 Ų55.212%0.11830%0.298CS..Hα-helixtrans-58.7-51.5175.6172.2-92.5000111P156 D157 L266 T267 L271 S272 L273 V281P156-Y269 HydrophobicContact CB-CE1 3.7Å; P156-Y269 WeakPolarHBondContact CB-OH 3.35Å; P156-Y269 HydrophobicContact CG-CE1 4.18Å; P156-Y269 WeakPolarHBondContact O-CE2 3.26Å; D157-Y269 PolarHBondContact O-OH 2.92Å; L266-Y269 HydrophobicContact CD1-CD1 4.47Å; L266-Y269 WeakPolarHBondContact O-CB 3.26Å; L266-Y269 PolarHBondContact O-N 3.3Å; T267-Y269 VanDerWaalsContact C-N 3.34Å; T267-Y269 PolarHBondContact O-N 2.88Å; Y269-L271 PolarHBondContact O-N 2.92Å; Y269-S272 PolarHBondContact O-N 3.49Å; Y269-S272 PolarHBondContact O-OG 3.44Å; Y269-L273 HydrophobicContact CD1-CD1 4.41Å; Y269-L273 HydrophobicContact CE1-CD1 3.73Å; Y269-L273 HydrophobicContact CE1-CG 4.37Å; Y269-L273 PolarHBondContact O-N 2.75Å; Y269-V281 HydrophobicContact CE1-CG1 4.15Å
270F86.4Confident84.6Confident0 Ų058.2 Ų58.20%032%0.317CS..Hα-helixtrans-67.9-36.6-178.1-72.4-57.7000113.2L255 M259 I262 L266 T267 S272 L273 R278 V281 F282L255-F270 HydrophobicContact CD2-CB 4.14Å; M259-F270 HydrophobicContact CE-CB 3.82Å; M259-F270 HydrophobicContact CE-CD1 3.94Å; M259-F270 HydrophobicContact CE-CD2 3.39Å; M259-F270 HydrophobicContact CE-CE1 4.39Å; M259-F270 HydrophobicContact CE-CE2 3.86Å; M259-F270 HydrophobicContact CE-CG 3.45Å; M259-F270 VanDerWaalsContact CE-CG 3.45Å; M259-F270 HydrophobicContact CE-CZ 4.38Å; I262-F270 HydrophobicContact CD1-CD2 4.03Å; I262-F270 HydrophobicContact CD1-CE2 3.98Å; L266-F270 HydrophobicContact CD1-CD2 4.33Å; L266-F270 HydrophobicContact CD1-CE2 3.79Å; L266-F270 HydrophobicContact CD1-CZ 4.24Å; L266-F270 HydrophobicContact CD2-CD2 4.41Å; L266-F270 HydrophobicContact CD2-CE2 3.6Å; L266-F270 HydrophobicContact CD2-CZ 4.38Å; L266-F270 HydrophobicContact CG-CD2 3.81Å; L266-F270 HydrophobicContact CG-CE2 3.4Å; L266-F270 HydrophobicContact CG-CZ 4.3Å; L266-F270 VanDerWaalsContact O-CD2 3.25Å; L266-F270 WeakPolarHBondContact O-CD2 3.39Å; L266-F270 PolarHBondContact O-N 2.9Å; T267-F270 PolarHBondContact O-N 3.45Å; F270-S272 VanDerWaalsContact C-N 3.29Å; F270-S272 PolarHBondContact O-N 3.25Å; F270-L273 HydrophobicContact CD1-CD1 4.06Å; F270-L273 WeakPolarHBondContact O-CB 3.08Å; F270-L273 PolarHBondContact O-N 3.35Å; F270-R278 WeakPolarHBondContact O-CD 3.26Å; F270-R278 VanDerWaalsContact O-CG 3.3Å; F270-R278 WeakPolarHBondContact O-CG 3.33Å; F270-R278 PolarHBondContact O-NE 3.29Å; F270-V281 HydrophobicContact CE1-CB 4.45Å; F270-V281 HydrophobicContact CE1-CG1 3.98Å; F270-F282 HydrophobicContact CD1-CB 4.45Å; F270-F282 HydrophobicContact CE1-CB 3.84Å; F270-F282 HydrophobicContact CE1-CD2 4.37Å; F270-F282 AromaticContact CE2-CD2 3.64Å; F270-F282 HydrophobicContact CE2-CD2 3.64Å; F270-F282 HydrophobicContact CE2-CE2 4.33Å; F270-F282 HydrophobicContact CZ-CB 3.91Å; F270-F282 AromaticContact CZ-CD2 3.59Å; F270-F282 HydrophobicContact CZ-CD2 3.59Å; F270-F282 HydrophobicContact CZ-CG 4.25Å
271L86.4Confident84.8Confident57 Ų5753.7 Ų53.730%0.29829%0.285SS..Hα-helixtrans-66.7-32.8175.9-74.4175.6000111.9V253 L255 T267 D268 Y269 L273 R278V253-L271 HydrophobicContact CG1-CD2 4.08Å; L255-L271 HydrophobicContact CD1-CD1 4.36Å; L255-L271 HydrophobicContact CD1-CD2 4.16Å; L255-L271 HydrophobicContact CD1-CG 4.01Å; L255-L271 HydrophobicContact CD2-CD2 4.49Å; L255-L271 HydrophobicContact CG-CD2 3.76Å; L255-L271 HydrophobicContact CG-CG 4.13Å; T267-L271 HydrophobicContact CG2-CD1 3.61Å; T267-L271 HydrophobicContact CG2-CG 4.22Å; T267-L271 WeakPolarHBondContact O-CB 3.46Å; T267-L271 WeakPolarHBondContact O-CG 3.33Å; T267-L271 PolarHBondContact O-N 2.83Å; D268-L271 PolarHBondContact O-N 3.16Å; Y269-L271 PolarHBondContact O-N 2.92Å; L271-L273 PolarHBondContact O-N 3.48Å; L271-R278 PolarHBondContact O-NH2 3.09Å
272S87Confident84.9Confident80 Ų8050.9 Ų50.956%0.55927%0.272SS*.Hα-helixtrans-67.3-21175.282.30000113.8D268 Y269 F270D268-S272 WeakPolarHBondContact O-CB 3.47Å; D268-S272 PolarHBondContact O-N 2.95Å; Y269-S272 PolarHBondContact O-N 3.49Å; Y269-S272 PolarHBondContact O-OG 3.44Å; F270-S272 VanDerWaalsContact C-N 3.29Å; F270-S272 PolarHBondContact O-N 3.25Å
273L84.7Confident85Confident23 Ų2354 Ų5412%0.1229%0.287CS..SBendtrans-75.6148.8174.7-64.2173.2000110.8Y269 F270 L271 R278 V281Y269-L273 HydrophobicContact CD1-CD1 4.41Å; Y269-L273 HydrophobicContact CE1-CD1 3.73Å; Y269-L273 HydrophobicContact CE1-CG 4.37Å; Y269-L273 PolarHBondContact O-N 2.75Å; F270-L273 HydrophobicContact CD1-CD1 4.06Å; F270-L273 WeakPolarHBondContact O-CB 3.08Å; F270-L273 PolarHBondContact O-N 3.35Å; L271-L273 PolarHBondContact O-N 3.48Å; L273-R278 HydrophobicContact CB-CG 4.12Å; L273-R278 VanDerWaalsContact O-CZ 3.31Å; L273-R278 PolarHBondContact O-NE 3.47Å; L273-R278 PolarHBondContact O-NH2 3.39Å; L273-V281 HydrophobicContact CD1-CB 4.04Å; L273-V281 HydrophobicContact CD1-CG1 3.96Å; L273-V281 HydrophobicContact CD1-CG2 4.12Å
274A85Confident85Confident39 Ų3953.3 Ų53.332%0.32228%0.282SS..  trans-57.1137.817100000110.3E276 K277A274-E276 VanDerWaalsContact CB-CD 3.48Å; A274-E276 WeakPolarHBondContact CB-OE1 3.29Å; A274-E276 WeakPolarHBondContact CB-OE2 3.41Å; A274-E276 PolarHBondContact O-N 2.9Å; A274-E276 VanDerWaalsContact O-N 3.08Å; A274-K277 HydrophobicContact CB-CD 4.39Å; A274-K277 WeakPolarHBondContact O-CB 3.43Å; A274-K277 PolarHBondContact O-N 2.97Å
275P84Confident85.2Confident86 Ų8645.8 Ų45.856%0.55825%0.247SC*.Hα-helixtrans-50.7-38.3-171-28.434.3000114.8K277 R278P275-K277 PolarHBondContact O-N 3.3Å; P275-R278 PolarHBondContact O-N 3.23Å
276E83Confident85.4Confident131 Ų13145.4 Ų45.461%0.61225%0.247SC*.Hα-helixtrans-67.1-18.1-179.572.2-73.8175.300114A274A274-E276 VanDerWaalsContact CB-CD 3.48Å; A274-E276 WeakPolarHBondContact CB-OE1 3.29Å; A274-E276 WeakPolarHBondContact CB-OE2 3.41Å; A274-E276 PolarHBondContact O-N 2.9Å; A274-E276 VanDerWaalsContact O-N 3.08Å
277K82.1Confident85.4Confident74 Ų7445.6 Ų45.632%0.32225%0.248SC..Hα-helixtrans-97.6-20.6-178.1-61.1-176.8170.2-146.80113.7E161 A274 P275 L279 P280 V281E161-K277 VanDerWaalsContact OE2-CD 3.28Å; E161-K277 WeakPolarHBondContact OE2-CD 3.48Å; E161-K277 VanDerWaalsContact OE2-CE 3.29Å; E161-K277 WeakPolarHBondContact OE2-CE 3.27Å; E161-K277 IonicContact OE2-NZ 2.75Å; E161-K277 PolarHBondContact OE2-NZ 3.45Å; A274-K277 HydrophobicContact CB-CD 4.39Å; A274-K277 WeakPolarHBondContact O-CB 3.43Å; A274-K277 PolarHBondContact O-N 2.97Å; P275-K277 PolarHBondContact O-N 3.3Å; K277-L279 PolarHBondContact O-N 2.84Å; K277-P280 WeakPolarHBondContact O-CD 3.3Å; K277-V281 HydrophobicContact CB-CG2 4.47Å; K277-V281 WeakPolarHBondContact O-CB 3.39Å; K277-V281 WeakPolarHBondContact O-CG2 3.3Å; K277-V281 PolarHBondContact O-N 3.04Å
278R83.8Confident85.6Confident21 Ų2146 Ų468%0.07925%0.248CC..Hα-helixtrans-58.1-54-169.8-62-172.1-177.9133.63.8113.6V253 F270 L271 L273 P275 V281 F282V253-R278 VanDerWaalsContact CG1-CZ 3.47Å; V253-R278 VanDerWaalsContact CG1-NH2 3.35Å; F270-R278 WeakPolarHBondContact O-CD 3.26Å; F270-R278 VanDerWaalsContact O-CG 3.3Å; F270-R278 WeakPolarHBondContact O-CG 3.33Å; F270-R278 PolarHBondContact O-NE 3.29Å; L271-R278 PolarHBondContact O-NH2 3.09Å; L273-R278 HydrophobicContact CB-CG 4.12Å; L273-R278 VanDerWaalsContact O-CZ 3.31Å; L273-R278 PolarHBondContact O-NE 3.47Å; L273-R278 PolarHBondContact O-NH2 3.39Å; P275-R278 PolarHBondContact O-N 3.23Å; R278-V281 PolarHBondContact O-N 3.09Å; R278-F282 WeakPolarHBondContact O-CB 3.22Å; R278-F282 PolarHBondContact O-N 2.99Å
279L82.2Confident86Confident77 Ų7741.6 Ų41.640%0.40323%0.225SC..Hα-helixtrans-64.4-49.7-179.3-75.8172.9000112.3P256 M259 K277 V281 F282 E283P256-L279 HydrophobicContact CB-CD2 4.19Å; P256-L279 HydrophobicContact CG-CD1 4.31Å; P256-L279 HydrophobicContact CG-CD2 3.83Å; P256-L279 HydrophobicContact CG-CG 4.04Å; M259-L279 HydrophobicContact SD-CD2 4.26Å; K277-L279 PolarHBondContact O-N 2.84Å; L279-V281 VanDerWaalsContact C-N 3.32Å; L279-V281 PolarHBondContact O-N 2.99Å; L279-F282 PolarHBondContact O-N 3.14Å; L279-E283 WeakPolarHBondContact O-CG 3.29Å; L279-E283 PolarHBondContact O-N 3.34Å
280P84Confident86.4Confident62 Ų6240.2 Ų40.240%0.40322%0.219SC..Hα-helixtrans-54.1-44.2174.5-28.333.5000114.1K277 A284K277-P280 WeakPolarHBondContact O-CD 3.3Å; P280-A284 VanDerWaalsContact O-CB 3.27Å; P280-A284 WeakPolarHBondContact O-CB 3.32Å; P280-A284 PolarHBondContact O-N 2.94Å
281V84.8Confident86.9Confident4 Ų440.2 Ų40.22%0.02422%0.219CC..Hα-helixtrans-68.5-43.4-179.9176.30000110.9P156 F160 E161 Y269 F270 L273 K277 R278 L279 A284 W285P156-V281 HydrophobicContact CB-CG1 4.23Å; P156-V281 HydrophobicContact CG-CG1 4.42Å; F160-V281 HydrophobicContact CD1-CG1 4.04Å; E161-V281 HydrophobicContact CB-CG2 4.35Å; E161-V281 HydrophobicContact CG-CG2 4.44Å; Y269-V281 HydrophobicContact CE1-CG1 4.15Å; F270-V281 HydrophobicContact CE1-CB 4.45Å; F270-V281 HydrophobicContact CE1-CG1 3.98Å; L273-V281 HydrophobicContact CD1-CB 4.04Å; L273-V281 HydrophobicContact CD1-CG1 3.96Å; L273-V281 HydrophobicContact CD1-CG2 4.12Å; K277-V281 HydrophobicContact CB-CG2 4.47Å; K277-V281 WeakPolarHBondContact O-CB 3.39Å; K277-V281 WeakPolarHBondContact O-CG2 3.3Å; K277-V281 PolarHBondContact O-N 3.04Å; R278-V281 PolarHBondContact O-N 3.09Å; L279-V281 VanDerWaalsContact C-N 3.32Å; L279-V281 PolarHBondContact O-N 2.99Å; V281-A284 PolarHBondContact O-N 3.32Å; V281-W285 WeakPolarHBondContact O-CB 3.35Å; V281-W285 PolarHBondContact O-N 2.98Å
282F84.7Confident87.4Confident9 Ų937.5 Ų37.54%0.03921%0.205CC..Hα-helixtrans-62.2-45.9177.3176.2-115.5000112.7M259 I262 F270 R278 L279 A284 W285 K286M259-F282 HydrophobicContact CE-CB 3.77Å; M259-F282 HydrophobicContact CE-CD1 4.29Å; M259-F282 HydrophobicContact CE-CD2 3.8Å; M259-F282 HydrophobicContact CE-CE2 4.38Å; M259-F282 HydrophobicContact CE-CG 3.7Å; M259-F282 HydrophobicContact CG-CD1 3.92Å; M259-F282 HydrophobicContact CG-CE1 3.83Å; M259-F282 HydrophobicContact CG-CG 4.29Å; M259-F282 HydrophobicContact CG-CZ 4.11Å; M259-F282 HydrophobicContact SD-CB 4.22Å; M259-F282 HydrophobicContact SD-CD1 4.16Å; M259-F282 HydrophobicContact SD-CG 4.13Å; I262-F282 HydrophobicContact CD1-CD2 3.82Å; I262-F282 HydrophobicContact CD1-CE2 3.25Å; I262-F282 HydrophobicContact CD1-CZ 3.75Å; I262-F282 HydrophobicContact CG1-CE2 4.01Å; I262-F282 HydrophobicContact CG1-CZ 4.33Å; F270-F282 HydrophobicContact CD1-CB 4.45Å; F270-F282 HydrophobicContact CE1-CB 3.84Å; F270-F282 HydrophobicContact CE1-CD2 4.37Å; F270-F282 AromaticContact CE2-CD2 3.64Å; F270-F282 HydrophobicContact CE2-CD2 3.64Å; F270-F282 HydrophobicContact CE2-CE2 4.33Å; F270-F282 HydrophobicContact CZ-CB 3.91Å; F270-F282 AromaticContact CZ-CD2 3.59Å; F270-F282 HydrophobicContact CZ-CD2 3.59Å; F270-F282 HydrophobicContact CZ-CG 4.25Å; R278-F282 WeakPolarHBondContact O-CB 3.22Å; R278-F282 PolarHBondContact O-N 2.99Å; L279-F282 PolarHBondContact O-N 3.14Å; F282-A284 VanDerWaalsContact C-N 3.35Å; F282-A284 PolarHBondContact O-N 3.03Å; F282-W285 AromaticContact CD2-CE3 3.81Å; F282-W285 HydrophobicContact CD2-CE3 3.81Å; F282-W285 HydrophobicContact CD2-CZ3 4.17Å; F282-W285 AromaticContact CE2-CE3 3.89Å; F282-W285 HydrophobicContact CE2-CE3 3.89Å; F282-W285 AromaticContact CE2-CZ3 3.75Å; F282-W285 HydrophobicContact CE2-CZ3 3.75Å; F282-W285 WeakPolarHBondContact O-CB 3.15Å; F282-W285 PolarHBondContact O-N 2.89Å; F282-K286 HydrophobicContact CD1-CD 4.41Å; F282-K286 HydrophobicContact CE1-CD 3.81Å; F282-K286 HydrophobicContact CE2-CD 4.2Å; F282-K286 HydrophobicContact CE2-CG 4.28Å; F282-K286 HydrophobicContact CZ-CD 3.75Å; F282-K286 HydrophobicContact CZ-CG 4.32Å; F282-K286 PolarHBondContact O-N 3.21Å
283E84.5Confident87.9Confident78 Ų7837 Ų3736%0.36420%0.195SC..Hα-helixtrans-65.7-38.3177.5-70.7-176.1134.300112.2R126 L279 H287R126-E283 IonicContact CZ-OE2 2.94Å; R126-E283 IonicContact NH1-OE2 3.86Å; R126-E283 IonicContact NH2-OE1 2.66Å; R126-E283 PolarHBondContact NH2-OE1 3.37Å; R126-E283 IonicContact NH2-OE2 3.15Å; R126-E283 PolarHBondContact NH2-OE2 3.04Å; L279-E283 WeakPolarHBondContact O-CG 3.29Å; L279-E283 PolarHBondContact O-N 3.34Å; E283-H287 PolarHBondContact O-N 2.92Å
284A85.9Confident88.4Confident7 Ų737.1 Ų37.16%0.05820%0.198CC..Hα-helixtrans-62.6-47.2172.700000111F160 C164 P280 V281 F282 K286 H287 H288F160-A284 HydrophobicContact CE1-CB 3.89Å; C164-A284 HydrophobicContact CB-CB 4.03Å; P280-A284 VanDerWaalsContact O-CB 3.27Å; P280-A284 WeakPolarHBondContact O-CB 3.32Å; P280-A284 PolarHBondContact O-N 2.94Å; V281-A284 PolarHBondContact O-N 3.32Å; F282-A284 VanDerWaalsContact C-N 3.35Å; F282-A284 PolarHBondContact O-N 3.03Å; A284-K286 PolarHBondContact O-N 3.4Å; A284-H287 WeakPolarHBondContact O-CB 3.36Å; A284-H287 PolarHBondContact O-N 3.06Å; A284-H288 PolarHBondContact O-CD2 3.45Å; A284-H288 PolarHBondContact O-N 3.16Å
285W89.5Confident88.8Confident1 Ų136.1 Ų36.10%0.00419%0.189CC..Hα-helixtrans-55.9-49.5175.7171.270.2000112.1L138 V154 P156 F160 L266 V281 F282 H287 H288 T289L138-W285 HydrophobicContact CD1-CH2 4.35Å; L138-W285 HydrophobicContact CD1-CZ2 4.36Å; L138-W285 HydrophobicContact CD2-CH2 3.87Å; V154-W285 VanDerWaalsContact O-CD1 3.24Å; V154-W285 PolarHBondContact O-NE1 3.16Å; P156-W285 VanDerWaalsContact CD-CD1 3.41Å; P156-W285 HydrophobicContact CG-CB 3.65Å; P156-W285 VanDerWaalsContact CG-CD1 3.45Å; P156-W285 HydrophobicContact CG-CG 3.65Å; F160-W285 HydrophobicContact CE1-CB 4.26Å; F160-W285 HydrophobicContact CZ-CB 4.36Å; L266-W285 HydrophobicContact CD2-CH2 4.05Å; L266-W285 HydrophobicContact CD2-CZ2 4.15Å; L266-W285 HydrophobicContact CD2-CZ3 4.25Å; V281-W285 WeakPolarHBondContact O-CB 3.35Å; V281-W285 PolarHBondContact O-N 2.98Å; F282-W285 AromaticContact CD2-CE3 3.81Å; F282-W285 HydrophobicContact CD2-CE3 3.81Å; F282-W285 HydrophobicContact CD2-CZ3 4.17Å; F282-W285 AromaticContact CE2-CE3 3.89Å; F282-W285 HydrophobicContact CE2-CE3 3.89Å; F282-W285 AromaticContact CE2-CZ3 3.75Å; F282-W285 HydrophobicContact CE2-CZ3 3.75Å; F282-W285 WeakPolarHBondContact O-CB 3.15Å; F282-W285 PolarHBondContact O-N 2.89Å; W285-H287 PolarHBondContact O-N 3.46Å; W285-H287 VanDerWaalsContact O-N 3.14Å; W285-H288 PolarHBondContact O-N 3.22Å; W285-H288 VanDerWaalsContact O-N 3.1Å; W285-T289 HydrophobicContact CZ2-CG2 4.49Å; W285-T289 PolarHBondContact NE1-OG1 3.44Å; W285-T289 WeakPolarHBondContact O-CB 3.27Å; W285-T289 PolarHBondContact O-N 3.43Å; W285-T289 PolarHBondContact O-OG1 3.11Å
286K88.8Confident89.3Confident51 Ų5135.4 Ų35.422%0.22218%0.184CC..Hα-helixtrans-56.8-30.5176.3-80.7-169.7160.4178.10113.4D135 F282 A284D135-K286 WeakPolarHBondContact OD1-CE 3.42Å; D135-K286 IonicContact OD1-NZ 3.51Å; D135-K286 PolarHBondContact OD1-NZ 3.21Å; D135-K286 IonicContact OD2-NZ 3.03Å; D135-K286 PolarHBondContact OD2-NZ 3.45Å; F282-K286 HydrophobicContact CD1-CD 4.41Å; F282-K286 HydrophobicContact CE1-CD 3.81Å; F282-K286 HydrophobicContact CE2-CD 4.2Å; F282-K286 HydrophobicContact CE2-CG 4.28Å; F282-K286 HydrophobicContact CZ-CD 3.75Å; F282-K286 HydrophobicContact CZ-CG 4.32Å; F282-K286 PolarHBondContact O-N 3.21Å; A284-K286 PolarHBondContact O-N 3.4Å
287H87.9Confident89.8Confident4 Ų434.1 Ų34.12%0.01918%0.181CC..Hα-helixtrans-81.3-36.5176.9176.2-99.3000113.3I109 Q112 E283 A284 W285 R302I109-H287 PolarHBondContact O-CE1 3.26Å; Q112-H287 WeakPolarHBondContact CA-NE2 3.26Å; Q112-H287 HydrophobicContact CB-CB 4.16Å; Q112-H287 HydrophobicContact CG-CB 3.93Å; E283-H287 PolarHBondContact O-N 2.92Å; A284-H287 WeakPolarHBondContact O-CB 3.36Å; A284-H287 PolarHBondContact O-N 3.06Å; W285-H287 PolarHBondContact O-N 3.46Å; W285-H287 VanDerWaalsContact O-N 3.14Å; H287-R302 PolarHBondContact O-NE 3.38Å
288H91.2Very high90.4Very high35 Ų3530.6 Ų30.616%0.16217%0.165CC..Hα-helixtrans-88.6-3-175.9-68-65.4000114.1F160 C164 A284 W285 R302F160-H288 HydrophobicContact CZ-CB 4.22Å; C164-H288 PolarHBondContact SG-CD2 3.38Å; A284-H288 PolarHBondContact O-CD2 3.45Å; A284-H288 PolarHBondContact O-N 3.16Å; W285-H288 PolarHBondContact O-N 3.22Å; W285-H288 VanDerWaalsContact O-N 3.1Å; H288-R302 WeakPolarHBondContact O-CB 3.35Å; H288-R302 PolarHBondContact O-N 3.07Å
289T94Very high91Very high5 Ų529.7 Ų29.73%0.03116%0.162CC..EExtended strand (participates in β ladder)trans-113.5136.6175.6-58.50000110.1L134 V154 W285 W299L134-T289 HydrophobicContact CD1-CG2 4.3Å; V154-T289 HydrophobicContact CB-CG2 4.17Å; V154-T289 HydrophobicContact CG2-CG2 4.17Å; W285-T289 HydrophobicContact CZ2-CG2 4.49Å; W285-T289 PolarHBondContact NE1-OG1 3.44Å; W285-T289 WeakPolarHBondContact O-CB 3.27Å; W285-T289 PolarHBondContact O-N 3.43Å; W285-T289 PolarHBondContact O-OG1 3.11Å; T289-W299 HydrophobicContact CG2-CE3 3.69Å; T289-W299 HydrophobicContact CG2-CZ3 3.97Å
290I95.7Very high91.7Very high1 Ų126 Ų261%0.00514%0.143CC..EExtended strand (participates in β ladder)trans-126.8141.4177-66.4169.3000108.6M300 R302 I305 I332 T335 I337I290-M300 HydrophobicContact CB-CE 4.4Å; I290-M300 HydrophobicContact CG2-CE 3.91Å; I290-M300 PolarHBondContact N-O 2.99Å; I290-M300 PolarHBondContact O-N 2.98Å; I290-R302 HydrophobicContact CD1-CB 3.98Å; I290-R302 HydrophobicContact CD1-CG 3.91Å; I290-R302 HydrophobicContact CG1-CB 4.41Å; I290-I305 HydrophobicContact CD1-CG2 3.87Å; I290-I332 HydrophobicContact CG2-CG2 4.28Å; I290-T335 WeakPolarHBondContact CD1-OG1 3.23Å; I290-T335 HydrophobicContact CG1-CG2 4.44Å; I290-T335 HydrophobicContact CG2-CG2 4.19Å; I290-I337 HydrophobicContact CD1-CD1 3.82Å; I290-I337 HydrophobicContact CD1-CG1 3.8Å
291H96.7Very high92.3Very high0 Ų025.4 Ų25.40%013%0.134CC..EExtended strand (participates in β ladder)trans-108.8136169.3-170.2-99.2000110.4Q132 L134 W137 L293 C295 S298 W299Q132-H291 PolarHBondContact NE2-O 2.97Å; Q132-H291 PolarHBondContact OE1-O 3.26Å; L134-H291 HydrophobicContact CD2-CB 3.91Å; W137-H291 AromaticContact CD1-ND1 3.72Å; W137-H291 AromaticContact CD2-CE1 3.21Å; W137-H291 AromaticContact CD2-ND1 3.29Å; W137-H291 VanDerWaalsContact CD2-ND1 3.29Å; W137-H291 AromaticContact CD2-NE2 3.95Å; W137-H291 AromaticContact CE2-CE1 3.54Å; W137-H291 AromaticContact CE2-ND1 3.33Å; W137-H291 VanDerWaalsContact CE2-ND1 3.33Å; W137-H291 AromaticContact CE3-CE1 3.19Å; W137-H291 AromaticContact CE3-ND1 3.8Å; W137-H291 AromaticContact CE3-NE2 3.77Å; W137-H291 AromaticContact CG-CE1 3.83Å; W137-H291 AromaticContact CG-CG 3.9Å; W137-H291 AromaticContact CG-ND1 3.56Å; W137-H291 AromaticContact CH2-CE1 3.77Å; W137-H291 AromaticContact CZ2-CE1 3.81Å; W137-H291 AromaticContact CZ2-ND1 3.83Å; W137-H291 AromaticContact CZ3-CE1 3.48Å; W137-H291 VanDerWaalsContact CZ3-CE1 3.48Å; W137-H291 WeakPolarHBondContact CZ3-CE1 3.43Å; W137-H291 AromaticContact NE1-ND1 3.6Å; H291-L293 PolarHBondContact ND1-N 3.25Å; H291-L293 VanDerWaalsContact ND1-N 3.13Å; H291-L293 PolarHBondContact O-N 3.36Å; H291-C295 PolarHBondContact CE1-O 3.07Å; H291-C295 PolarHBondContact NE2-O 3.13Å; H291-S298 CarbonylContact C-O 3.53Å; H291-S298 WeakPolarHBondContact CA-O 3.44Å; H291-S298 PolarHBondContact CE1-OG 2.97Å; H291-S298 PolarHBondContact NE2-OG 3.14Å; H291-S298 VanDerWaalsContact NE2-OG 3.1Å; H291-W299 AromaticContact CD2-CD1 3.84Å; H291-W299 AromaticContact CD2-CD2 3.74Å; H291-W299 AromaticContact CD2-CE2 3.6Å; H291-W299 AromaticContact CD2-CG 3.91Å; H291-W299 AromaticContact CD2-NE1 3.63Å; H291-W299 AromaticContact NE2-NE1 3.91Å
292G96.6Very high92.8Very high0 Ų026.1 Ų26.10%014%0.137CC..  trans-77.1-2.3-175.900000115.1C294 S298 S331G292-C294 PolarHBondContact O-N 2.62Å; G292-S298 VanDerWaalsContact CA-OG 3.27Å; G292-S298 WeakPolarHBondContact CA-OG 3.42Å; G292-S298 PolarHBondContact N-O 2.95Å; G292-S298 PolarHBondContact N-OG 3.06Å; G292-S298 VanDerWaalsContact N-OG 3.09Å; G292-S331 VanDerWaalsContact CA-OG 3.26Å; G292-S331 WeakPolarHBondContact CA-OG 3.43Å; G292-S331 WeakPolarHBondContact O-CB 3.44Å; G292-S331 PolarHBondContact O-OG 3.47Å
293L96.1Very high93.2Very high68 Ų6828.4 Ų28.436%0.35615%0.149SC..SBendtrans57.3-9.7178.6-53.6-178.2000116.7W137 H291 S298 I327W137-L293 HydrophobicContact CZ2-CB 4.27Å; W137-L293 HydrophobicContact CZ2-CD2 3.86Å; H291-L293 PolarHBondContact ND1-N 3.25Å; H291-L293 VanDerWaalsContact ND1-N 3.13Å; H291-L293 PolarHBondContact O-N 3.36Å; L293-S298 PolarHBondContact N-OG 3.45Å; L293-I327 HydrophobicContact CB-CG2 4.01Å
294C95.9Very high93.7Very high27 Ų2724.8 Ų24.818%0.18213%0.133CC..SBendtrans-86.6-28.9-174.658.50000113.3G292 C319 C322 N324 I327 F328G292-C294 PolarHBondContact O-N 2.62Å; C294-C319 VanDerWaalsContact SG-CB 3.56Å; C294-C322 PolarHBondContact SG-SG 2.9Å; C294-N324 HydrophobicContact CB-CB 3.87Å; C294-I327 HydrophobicContact CB-CB 3.99Å; C294-I327 HydrophobicContact CB-CG2 3.96Å; C294-F328 HydrophobicContact CB-CB 4.44Å
295C94.6Very high94.3Very high18 Ų1824.5 Ų24.512%0.12213%0.13CC..SBendtrans-156.2156.7176.864.70000111H291 L297 S298 C319 C322H291-C295 PolarHBondContact CE1-O 3.07Å; H291-C295 PolarHBondContact NE2-O 3.13Å; C295-L297 PolarHBondContact O-N 3.33Å; C295-S298 WeakPolarHBondContact O-CB 3.3Å; C295-S298 PolarHBondContact O-N 3.1Å; C295-S298 VanDerWaalsContact O-N 3.07Å; C295-S298 PolarHBondContact O-OG 3.02Å; C295-C319 VanDerWaalsContact SG-SG 3.69Å; C295-C322 HydrophobicContact CB-CB 3.9Å; C295-C322 VanDerWaalsContact SG-SG 3.62Å
296P92.7Very high94.6Very high71 Ų7124.6 Ų24.646%0.46113%0.131SC..THydrogen-bonded Turntrans-59.1-22.3-176.8-26.235.3000115.7W299P296-W299 VanDerWaalsContact O-CD1 3.29Å; P296-W299 PolarHBondContact O-NE1 3.03Å
297L93.4Very high94.9Very high103 Ų10322.6 Ų22.654%0.53913%0.125SC..THydrogen-bonded Turntrans-89.1-0.2-178.6-58.5-179.6000113.7C295 W299 Y321C295-L297 PolarHBondContact O-N 3.33Å; L297-W299 PolarHBondContact O-N 3.37Å; L297-Y321 HydrophobicContact CB-CD1 4.24Å; L297-Y321 HydrophobicContact CB-CD2 3.64Å; L297-Y321 HydrophobicContact CB-CE2 3.95Å; L297-Y321 HydrophobicContact CB-CG 3.81Å; L297-Y321 HydrophobicContact CD1-CD1 3.82Å; L297-Y321 HydrophobicContact CD1-CE1 4.09Å; L297-Y321 HydrophobicContact CD1-CG 4.17Å; L297-Y321 WeakPolarHBondContact O-CD2 3.33Å; L297-Y321 WeakPolarHBondContact O-CE2 3.29Å
298S96Very high95.3Very high0 Ų023.8 Ų23.80%013%0.13CC..  trans-80.644.3-170.564.10000113.9H291 G292 L293 C295 M300H291-S298 CarbonylContact C-O 3.53Å; H291-S298 WeakPolarHBondContact CA-O 3.44Å; H291-S298 PolarHBondContact CE1-OG 2.97Å; H291-S298 PolarHBondContact NE2-OG 3.14Å; H291-S298 VanDerWaalsContact NE2-OG 3.1Å; G292-S298 VanDerWaalsContact CA-OG 3.27Å; G292-S298 WeakPolarHBondContact CA-OG 3.42Å; G292-S298 PolarHBondContact N-O 2.95Å; G292-S298 PolarHBondContact N-OG 3.06Å; G292-S298 VanDerWaalsContact N-OG 3.09Å; L293-S298 PolarHBondContact N-OG 3.45Å; C295-S298 WeakPolarHBondContact O-CB 3.3Å; C295-S298 PolarHBondContact O-N 3.1Å; C295-S298 VanDerWaalsContact O-N 3.07Å; C295-S298 PolarHBondContact O-OG 3.02Å; S298-M300 WeakPolarHBondContact O-CE 3.4Å
299W96.4Very high95.5Very high3 Ų322.1 Ų22.11%0.01112%0.123CC..EExtended strand (participates in β ladder)trans-86138.4177.4-65.789.1000111.6L134 W137 L138 C141 P145 C147 C148 V154 T289 H291 P296 L297L134-W299 HydrophobicContact CB-CH2 4.42Å; L134-W299 HydrophobicContact CB-CZ3 4.37Å; L134-W299 HydrophobicContact CD2-CZ3 4.26Å; W137-W299 HydrophobicContact CB-CH2 3.85Å; W137-W299 HydrophobicContact CB-CZ2 3.55Å; L138-W299 HydrophobicContact CB-CH2 4Å; L138-W299 HydrophobicContact CB-CZ2 4.35Å; L138-W299 HydrophobicContact CD1-CH2 3.82Å; L138-W299 HydrophobicContact CD1-CZ2 4.12Å; L138-W299 HydrophobicContact CD1-CZ3 4.4Å; C141-W299 PolarHBondContact SG-NE1 3.23Å; P145-W299 HydrophobicContact CB-CB 3.96Å; P145-W299 HydrophobicContact CB-CD2 3.77Å; P145-W299 HydrophobicContact CB-CG 3.46Å; P145-W299 VanDerWaalsContact CB-CG 3.46Å; P145-W299 HydrophobicContact CG-CD2 4.07Å; P145-W299 HydrophobicContact CG-CE3 4.43Å; P145-W299 HydrophobicContact CG-CG 4.27Å; C147-W299 CarbonylContact C-O 3.23Å; C147-W299 VanDerWaalsContact CA-O 3.29Å; C147-W299 WeakPolarHBondContact CA-O 3.48Å; C148-W299 PolarHBondContact N-O 2.81Å; V154-W299 HydrophobicContact CG1-CB 4.34Å; V154-W299 HydrophobicContact CG2-CB 4.28Å; V154-W299 HydrophobicContact CG2-CE3 4.33Å; T289-W299 HydrophobicContact CG2-CE3 3.69Å; T289-W299 HydrophobicContact CG2-CZ3 3.97Å; H291-W299 AromaticContact CD2-CD1 3.84Å; H291-W299 AromaticContact CD2-CD2 3.74Å; H291-W299 AromaticContact CD2-CE2 3.6Å; H291-W299 AromaticContact CD2-CG 3.91Å; H291-W299 AromaticContact CD2-NE1 3.63Å; H291-W299 AromaticContact NE2-NE1 3.91Å; P296-W299 VanDerWaalsContact O-CD1 3.29Å; P296-W299 PolarHBondContact O-NE1 3.03Å; L297-W299 PolarHBondContact O-N 3.37Å
300M96.8Very high95.5Very high0 Ų023.5 Ų23.50%013%0.131CC..EExtended strand (participates in β ladder)trans-146.3144.5-177.6-63.2156.8-62.200111.7C148 V149 I290 S298 I305 F328 I332C148-M300 WeakPolarHBondContact SG-CG 3.49Å; C148-M300 VanDerWaalsContact SG-SD 3.69Å; V149-M300 HydrophobicContact CG2-CG 4.3Å; I290-M300 HydrophobicContact CB-CE 4.4Å; I290-M300 HydrophobicContact CG2-CE 3.91Å; I290-M300 PolarHBondContact N-O 2.99Å; I290-M300 PolarHBondContact O-N 2.98Å; S298-M300 WeakPolarHBondContact O-CE 3.4Å; M300-I305 HydrophobicContact CB-CB 4Å; M300-I305 HydrophobicContact CB-CG2 4.27Å; M300-I305 HydrophobicContact CE-CG1 4.25Å; M300-I305 HydrophobicContact CG-CB 4.28Å; M300-I305 HydrophobicContact SD-CB 3.75Å; M300-I305 HydrophobicContact SD-CD1 3.51Å; M300-I305 VanDerWaalsContact SD-CD1 3.51Å; M300-I305 HydrophobicContact SD-CG1 3.57Å; M300-I305 VanDerWaalsContact SD-CG1 3.57Å; M300-F328 HydrophobicContact CE-CE2 3.8Å; M300-F328 HydrophobicContact CE-CZ 4.3Å; M300-F328 HydrophobicContact SD-CE2 3.59Å; M300-F328 VanDerWaalsContact SD-CE2 3.59Å; M300-F328 HydrophobicContact SD-CZ 3.61Å; M300-I332 HydrophobicContact CE-CG2 3.99Å
301H95.7Very high95.4Very high48 Ų4825.2 Ų25.222%0.22214%0.143CC..EExtended strand (participates in β ladder)trans-66.6136.5158.6-54.9112.7000109C147 C150 S153 N303 C304 I305C147-H301 WeakPolarHBondContact CB-ND1 3.48Å; C147-H301 PolarHBondContact SG-N 3.07Å; C147-H301 VanDerWaalsContact SG-N 3.38Å; C147-H301 PolarHBondContact SG-ND1 3.1Å; C150-H301 VanDerWaalsContact SG-CE1 3.57Å; C150-H301 PolarHBondContact SG-ND1 3.14Å; S153-H301 PolarHBondContact O-CE1 3.09Å; S153-H301 VanDerWaalsContact O-CE1 3.26Å; S153-H301 PolarHBondContact O-NE2 3.07Å; H301-N303 PolarHBondContact O-N 2.76Å; H301-N303 VanDerWaalsContact O-N 3.14Å; H301-C304 HydrophobicContact CB-CB 4.03Å; H301-C304 WeakPolarHBondContact O-CB 3.42Å; H301-C304 PolarHBondContact O-N 3.38Å; H301-I305 PolarHBondContact O-N 2.93Å
302R95.1Very high95.3Very high19 Ų1925.2 Ų25.27%0.07214%0.143CC..Hα-helixtrans-51.2-40.4177.9177177.5-87.2-84.30112.9L25 H287 H288 I290 I305 A306 T335 I337L25-R302 HydrophobicContact CD1-CG 4.04Å; L25-R302 HydrophobicContact CD2-CG 3.97Å; H287-R302 PolarHBondContact O-NE 3.38Å; H288-R302 WeakPolarHBondContact O-CB 3.35Å; H288-R302 PolarHBondContact O-N 3.07Å; I290-R302 HydrophobicContact CD1-CB 3.98Å; I290-R302 HydrophobicContact CD1-CG 3.91Å; I290-R302 HydrophobicContact CG1-CB 4.41Å; R302-I305 VanDerWaalsContact O-CG2 3.29Å; R302-I305 WeakPolarHBondContact O-CG2 3.2Å; R302-A306 WeakPolarHBondContact O-CB 3.49Å; R302-A306 PolarHBondContact O-N 2.96Å; R302-A306 VanDerWaalsContact O-N 3.09Å; R302-T335 VanDerWaalsContact CZ-O 3.26Å; R302-T335 PolarHBondContact NH1-O 2.76Å; R302-T335 PolarHBondContact NH2-O 3.2Å; R302-I337 HydrophobicContact CG-CD1 4.07Å
303N93.7Very high95.3Very high57 Ų5725.2 Ų25.231%0.30514%0.143SC..Hα-helixtrans-73.1-35.1179.5-59.6-14.1000112.3Y23 L25 H301 A306 G307Y23-N303 VanDerWaalsContact OH-CG 3.29Å; Y23-N303 PolarHBondContact OH-ND2 3.04Å; Y23-N303 VanDerWaalsContact OH-ND2 3.08Å; Y23-N303 PolarHBondContact OH-OD1 2.89Å; L25-N303 VanDerWaalsContact CD1-OD1 3.3Å; L25-N303 WeakPolarHBondContact CD1-OD1 3.41Å; H301-N303 PolarHBondContact O-N 2.76Å; H301-N303 VanDerWaalsContact O-N 3.14Å; N303-A306 PolarHBondContact O-N 3.14Å; N303-G307 PolarHBondContact O-N 3.19Å
304C96.3Very high95.2Very high3 Ų324.8 Ų24.82%0.0214%0.141CC..Hα-helixtrans-67.9-45.6179.2-71.40000111.1V149 C150 H301 A306 G307 F308 F494V149-C304 HydrophobicContact CB-CB 3.93Å; V149-C304 HydrophobicContact CG1-CB 4Å; V149-C304 HydrophobicContact CG2-CB 4.47Å; C150-C304 VanDerWaalsContact SG-SG 3.67Å; H301-C304 HydrophobicContact CB-CB 4.03Å; H301-C304 WeakPolarHBondContact O-CB 3.42Å; H301-C304 PolarHBondContact O-N 3.38Å; C304-A306 VanDerWaalsContact C-N 3.33Å; C304-G307 PolarHBondContact O-N 2.79Å; C304-F308 WeakPolarHBondContact O-CB 3.44Å; C304-F308 PolarHBondContact O-N 2.95Å; C304-F494 HydrophobicContact CB-CZ 4.38Å
305I96.8Very high95Very high0 Ų027.8 Ų27.80%015%0.152CC..Hα-helixtrans-68.2-33.4176.1-173.352.4000112.2I290 M300 H301 R302 F308 A309 F328 I332 I337I290-I305 HydrophobicContact CD1-CG2 3.87Å; M300-I305 HydrophobicContact CB-CB 4Å; M300-I305 HydrophobicContact CB-CG2 4.27Å; M300-I305 HydrophobicContact CE-CG1 4.25Å; M300-I305 HydrophobicContact CG-CB 4.28Å; M300-I305 HydrophobicContact SD-CB 3.75Å; M300-I305 HydrophobicContact SD-CD1 3.51Å; M300-I305 VanDerWaalsContact SD-CD1 3.51Å; M300-I305 HydrophobicContact SD-CG1 3.57Å; M300-I305 VanDerWaalsContact SD-CG1 3.57Å; H301-I305 PolarHBondContact O-N 2.93Å; R302-I305 VanDerWaalsContact O-CG2 3.29Å; R302-I305 WeakPolarHBondContact O-CG2 3.2Å; I305-F308 HydrophobicContact CD1-CB 4.4Å; I305-F308 HydrophobicContact CD1-CD1 3.86Å; I305-F308 PolarHBondContact O-N 2.82Å; I305-A309 VanDerWaalsContact O-CB 3.26Å; I305-A309 WeakPolarHBondContact O-CB 2.98Å; I305-A309 PolarHBondContact O-N 3.49Å; I305-F328 HydrophobicContact CD1-CE1 4.08Å; I305-F328 HydrophobicContact CD1-CZ 3.65Å; I305-I332 HydrophobicContact CD1-CD1 4.06Å; I305-I332 HydrophobicContact CD1-CG2 4.33Å; I305-I332 HydrophobicContact CG1-CB 4.26Å; I305-I332 HydrophobicContact CG1-CD1 4.11Å; I305-I332 HydrophobicContact CG1-CG2 3.79Å; I305-I337 HydrophobicContact CG2-CD1 3.93Å; I305-I337 HydrophobicContact CG2-CG1 4.02Å
306A96.2Very high95Very high3 Ų331.1 Ų31.13%0.02516%0.163CC..Hα-helixtrans-60.9-47.417200000111.9P24 L25 R302 N303 C304 A309 V310 I337P24-A306 HydrophobicContact CB-CB 3.83Å; L25-A306 HydrophobicContact CD2-CB 3.52Å; L25-A306 HydrophobicContact CG-CB 4.02Å; R302-A306 WeakPolarHBondContact O-CB 3.49Å; R302-A306 PolarHBondContact O-N 2.96Å; R302-A306 VanDerWaalsContact O-N 3.09Å; N303-A306 PolarHBondContact O-N 3.14Å; C304-A306 VanDerWaalsContact C-N 3.33Å; A306-A309 PolarHBondContact O-N 3.02Å; A306-V310 WeakPolarHBondContact O-CG2 3.28Å; A306-V310 PolarHBondContact O-N 3.37Å; A306-I337 HydrophobicContact CB-CD1 4.09Å
307G94.9Very high95.1Very high9 Ų927.8 Ų27.89%0.09314%0.141CC..Hα-helixtrans-62.5-44.4175.700000112.1N303 C304 A309 V310 S311N303-G307 PolarHBondContact O-N 3.19Å; C304-G307 PolarHBondContact O-N 2.79Å; G307-A309 PolarHBondContact O-N 3.43Å; G307-V310 PolarHBondContact O-N 3.32Å; G307-S311 PolarHBondContact O-N 3.35Å; G307-S311 PolarHBondContact O-OG 3.38Å
308F95.9Very high95.3Very high30 Ų3026 Ų2613%0.13213%0.129CC..Hα-helixtrans-62.2-41.5177.7-177.8-131.9000112.4V149 C304 I305 S311 A312 L317 P320 T490V149-F308 HydrophobicContact CG1-CB 4.18Å; V149-F308 HydrophobicContact CG2-CB 4.17Å; V149-F308 HydrophobicContact CG2-CD1 4.25Å; V149-F308 HydrophobicContact CG2-CG 4.36Å; C304-F308 WeakPolarHBondContact O-CB 3.44Å; C304-F308 PolarHBondContact O-N 2.95Å; I305-F308 HydrophobicContact CD1-CB 4.4Å; I305-F308 HydrophobicContact CD1-CD1 3.86Å; I305-F308 PolarHBondContact O-N 2.82Å; F308-S311 PolarHBondContact O-N 3.46Å; F308-A312 HydrophobicContact CD2-CB 4.15Å; F308-A312 HydrophobicContact CE2-CB 3.82Å; F308-A312 HydrophobicContact CZ-CB 4.23Å; F308-A312 VanDerWaalsContact O-CB 3.26Å; F308-A312 WeakPolarHBondContact O-CB 3.4Å; F308-A312 PolarHBondContact O-N 3.08Å; F308-L317 HydrophobicContact CD1-CD1 3.49Å; F308-L317 VanDerWaalsContact CD1-CD1 3.49Å; F308-L317 HydrophobicContact CE1-CD1 3.44Å; F308-L317 VanDerWaalsContact CE1-CD1 3.44Å; F308-L317 HydrophobicContact CG-CD1 4.24Å; F308-L317 HydrophobicContact CZ-CD1 4.13Å; F308-P320 HydrophobicContact CE1-CG 4.15Å; F308-T490 HydrophobicContact CE2-CG2 4.48Å
309A96.7Very high95.4Very high0 Ų026 Ų260%013%0.129CC..Hα-helixtrans-62.8-42.4175.900000112.5I305 A306 G307 A313 L317 I337 W338 V339I305-A309 VanDerWaalsContact O-CB 3.26Å; I305-A309 WeakPolarHBondContact O-CB 2.98Å; I305-A309 PolarHBondContact O-N 3.49Å; A306-A309 PolarHBondContact O-N 3.02Å; G307-A309 PolarHBondContact O-N 3.43Å; A309-A313 VanDerWaalsContact O-CA 3.31Å; A309-A313 WeakPolarHBondContact O-CA 3.48Å; A309-A313 PolarHBondContact O-N 3.04Å; A309-L317 HydrophobicContact CB-CD2 3.98Å; A309-I337 HydrophobicContact CB-CG2 3.77Å; A309-W338 WeakPolarHBondContact CB-O 3.36Å; A309-V339 HydrophobicContact CB-CG2 4.07Å
310V93.6Very high95.3Very high33 Ų3327.8 Ų27.820%0.214%0.141CC..Hα-helixtrans-64.3-40.7176.5172.10000111.4A306 G307 W338A306-V310 WeakPolarHBondContact O-CG2 3.28Å; A306-V310 PolarHBondContact O-N 3.37Å; G307-V310 PolarHBondContact O-N 3.32Å; V310-W338 HydrophobicContact CG2-CE3 3.99Å; V310-W338 HydrophobicContact CG2-CZ3 4.04Å
311S93.5Very high95.2Very high38 Ų3832.3 Ų32.327%0.26616%0.159SC..Hα-helixtrans-77.1-44.8-178.8-59.70000113.7G307 F308 A344 A345G307-S311 PolarHBondContact O-N 3.35Å; G307-S311 PolarHBondContact O-OG 3.38Å; F308-S311 PolarHBondContact O-N 3.46Å; S311-A344 WeakPolarHBondContact O-CA 3.25Å; S311-A345 PolarHBondContact O-N 2.78Å
312A95.5Very high95.3Very high0 Ų032.7 Ų32.70%017%0.166CC..Hα-helixtrans-81.3-23.4-177.200000113.1F308 Y316 L317 W346F308-A312 HydrophobicContact CD2-CB 4.15Å; F308-A312 HydrophobicContact CE2-CB 3.82Å; F308-A312 HydrophobicContact CZ-CB 4.23Å; F308-A312 VanDerWaalsContact O-CB 3.26Å; F308-A312 WeakPolarHBondContact O-CB 3.4Å; F308-A312 PolarHBondContact O-N 3.08Å; A312-Y316 WeakPolarHBondContact O-CB 3.36Å; A312-Y316 PolarHBondContact O-N 3.48Å; A312-L317 HydrophobicContact CB-CB 4.3Å; A312-L317 HydrophobicContact CB-CD1 4.29Å; A312-W346 HydrophobicContact CB-CH2 3.67Å; A312-W346 HydrophobicContact CB-CZ3 4.16Å
313A95.1Very high95.3Very high0 Ų034 Ų340%018%0.181CC..Hα-helixtrans51.9-178.2-176.500000113.4A309 H315 Y316 L317 P340 Q342A309-A313 VanDerWaalsContact O-CA 3.31Å; A309-A313 WeakPolarHBondContact O-CA 3.48Å; A309-A313 PolarHBondContact O-N 3.04Å; A313-H315 VanDerWaalsContact C-N 3.26Å; A313-H315 PolarHBondContact O-N 3.29Å; A313-Y316 PolarHBondContact O-N 3.28Å; A313-L317 WeakPolarHBondContact O-CB 3.29Å; A313-L317 PolarHBondContact O-N 3.41Å; A313-P340 CarbonylContact C-O 3.42Å; A313-P340 WeakPolarHBondContact CA-O 3.27Å; A313-P340 HydrophobicContact CB-CG 4.13Å; A313-P340 WeakPolarHBondContact CB-O 3.22Å; A313-Q342 HydrophobicContact CB-CG 3.51Å; A313-Q342 WeakPolarHBondContact CB-O 3.42Å
314L94.8Very high95.5Very high58 Ų5833.5 Ų33.530%0.30418%0.178SC..Hα-helixtrans-60.7-35.7-173.4-17361.8000112.5R325 I329 V339 P340 D341L314-R325 PolarHBondContact O-NH2 3.28Å; L314-I329 HydrophobicContact CD1-CD1 4.22Å; L314-I329 HydrophobicContact CD1-CG2 4.2Å; L314-V339 HydrophobicContact CB-CG1 4.17Å; L314-V339 HydrophobicContact CD1-CG1 4.12Å; L314-P340 WeakPolarHBondContact CB-O 3.38Å; L314-P340 PolarHBondContact N-O 3.46Å; L314-D341 HydrophobicContact CB-CB 4.46Å; L314-D341 HydrophobicContact CD2-CB 4.2Å
315H90.8Very high95.5Very high90 Ų9037.2 Ų37.242%0.41719%0.192SC..Hα-helixtrans-73.1-32.3-173.6-58.3-49.4000113.6A313 R325 D341 Q342A313-H315 VanDerWaalsContact C-N 3.26Å; A313-H315 PolarHBondContact O-N 3.29Å; H315-R325 VanDerWaalsContact O-CZ 3.3Å; H315-R325 PolarHBondContact O-NH1 3.01Å; H315-R325 PolarHBondContact O-NH2 2.94Å; H315-R325 VanDerWaalsContact O-NH2 3.07Å; H315-D341 IonicContact CE1-OD1 2.9Å; H315-D341 PolarHBondContact CE1-OD1 3.26Å; H315-D341 IonicContact NE2-OD1 2.62Å; H315-D341 PolarHBondContact NE2-OD1 3.49Å; H315-Q342 PolarHBondContact CD2-O 3.4Å; H315-Q342 VanDerWaalsContact CD2-O 3.25Å
316Y94.5Very high95.5Very high89 Ų8944 Ų4435%0.34922%0.223SC..Hα-helixtrans-110.6-8.2-179.5-67.3-88.2000114.9A312 A313 K318 A344 W346 E347A312-Y316 WeakPolarHBondContact O-CB 3.36Å; A312-Y316 PolarHBondContact O-N 3.48Å; A313-Y316 PolarHBondContact O-N 3.28Å; Y316-K318 PolarHBondContact O-N 3.48Å; Y316-A344 HydrophobicContact CD2-CB 3.58Å; Y316-A344 HydrophobicContact CE2-CB 4.2Å; Y316-A344 HydrophobicContact CG-CB 4.16Å; Y316-W346 HydrophobicContact CD1-CZ2 4.3Å; Y316-W346 HydrophobicContact CD2-CZ2 4.46Å; Y316-W346 AromaticContact CG-CZ2 3.9Å; Y316-W346 HydrophobicContact CG-CZ2 3.9Å; Y316-E347 VanDerWaalsContact CE2-CD 3.41Å; Y316-E347 WeakPolarHBondContact CE2-OE1 3.31Å; Y316-E347 WeakPolarHBondContact CE2-OE2 3.4Å; Y316-E347 PolarHBondContact OH-OE1 3.43Å
317L96.3Very high95.5Very high0 Ų048 Ų480%024%0.243CC..  trans-67.4122179.6-171.360.9000112.2F308 A309 A312 A313 R325 F328 I329 I332 V339F308-L317 HydrophobicContact CD1-CD1 3.49Å; F308-L317 VanDerWaalsContact CD1-CD1 3.49Å; F308-L317 HydrophobicContact CE1-CD1 3.44Å; F308-L317 VanDerWaalsContact CE1-CD1 3.44Å; F308-L317 HydrophobicContact CG-CD1 4.24Å; F308-L317 HydrophobicContact CZ-CD1 4.13Å; A309-L317 HydrophobicContact CB-CD2 3.98Å; A312-L317 HydrophobicContact CB-CB 4.3Å; A312-L317 HydrophobicContact CB-CD1 4.29Å; A313-L317 WeakPolarHBondContact O-CB 3.29Å; A313-L317 PolarHBondContact O-N 3.41Å; L317-R325 PolarHBondContact O-NH1 3.38Å; L317-F328 HydrophobicContact CD1-CE1 4.02Å; L317-F328 HydrophobicContact CG-CE1 4.22Å; L317-I329 HydrophobicContact CB-CG1 4.5Å; L317-I329 HydrophobicContact CD2-CG1 4.31Å; L317-I329 HydrophobicContact CG-CG1 4.24Å; L317-I329 WeakPolarHBondContact O-CD1 3.29Å; L317-I332 HydrophobicContact CD2-CD1 3.59Å; L317-I332 HydrophobicContact CG-CD1 4.39Å; L317-V339 HydrophobicContact CD2-CB 4.28Å; L317-V339 HydrophobicContact CD2-CG1 3.6Å; L317-V339 HydrophobicContact CD2-CG2 3.63Å
318K96.9Very high95.6Very high66 Ų6647.5 Ų47.529%0.28724%0.239SC..  trans-153.1161.5175.865.7-173.4179.6177.20110Y316 P320 A323 R325 F328Y316-K318 PolarHBondContact O-N 3.48Å; K318-P320 WeakPolarHBondContact O-CD 3.35Å; K318-A323 HydrophobicContact CD-CB 4.15Å; K318-R325 HydrophobicContact CB-CG 3.59Å; K318-F328 VanDerWaalsContact C-CD1 3.48Å
319C97.7Very high95.7Very high1 Ų147.1 Ų47.11%0.00724%0.238CC..  trans-59.3126.5173.4-1790000110.4C294 C295 Y321 C322 A323 N324 F328C294-C319 VanDerWaalsContact SG-CB 3.56Å; C295-C319 VanDerWaalsContact SG-SG 3.69Å; C319-Y321 PolarHBondContact O-N 3.4Å; C319-Y321 VanDerWaalsContact O-N 3.14Å; C319-Y321 PolarHBondContact SG-N 2.79Å; C319-C322 VanDerWaalsContact SG-SG 3.64Å; C319-A323 VanDerWaalsContact O-CA 3.27Å; C319-A323 WeakPolarHBondContact O-CA 3.46Å; C319-A323 PolarHBondContact O-N 3.11Å; C319-N324 PolarHBondContact N-O 3.03Å; C319-N324 VanDerWaalsContact N-O 3.09Å; C319-F328 HydrophobicContact CB-CB 4.12Å; C319-F328 HydrophobicContact CB-CD1 4.44Å; C319-F328 HydrophobicContact CB-CD2 3.71Å; C319-F328 HydrophobicContact CB-CE2 4.21Å; C319-F328 HydrophobicContact CB-CG 3.83Å
320P95.6Very high95.7Very high40 Ų4052.4 Ų52.426%0.2626%0.258SS..THydrogen-bonded Turntrans-61.3-22.3178.3-2736.5000114.7C148 F308 K318C148-P320 HydrophobicContact CB-CB 4.41Å; C148-P320 HydrophobicContact CB-CG 4.32Å; F308-P320 HydrophobicContact CE1-CG 4.15Å; K318-P320 WeakPolarHBondContact O-CD 3.35Å
321Y94Very high95.8Very high95 Ų9551 Ų5137%0.37325%0.249SC..THydrogen-bonded Turntrans-95.8-52.1-177.1-77.8-69.6000114.1C148 L297 C319C148-Y321 HydrophobicContact CB-CD2 3.44Å; C148-Y321 VanDerWaalsContact CB-CD2 3.44Å; C148-Y321 HydrophobicContact CB-CE2 3.16Å; L297-Y321 HydrophobicContact CB-CD1 4.24Å; L297-Y321 HydrophobicContact CB-CD2 3.64Å; L297-Y321 HydrophobicContact CB-CE2 3.95Å; L297-Y321 HydrophobicContact CB-CG 3.81Å; L297-Y321 HydrophobicContact CD1-CD1 3.82Å; L297-Y321 HydrophobicContact CD1-CE1 4.09Å; L297-Y321 HydrophobicContact CD1-CG 4.17Å; L297-Y321 WeakPolarHBondContact O-CD2 3.33Å; L297-Y321 WeakPolarHBondContact O-CE2 3.29Å; C319-Y321 PolarHBondContact O-N 3.4Å; C319-Y321 VanDerWaalsContact O-N 3.14Å; C319-Y321 PolarHBondContact SG-N 2.79Å
322C96.8Very high95.9Very high55 Ų5549.1 Ų49.137%0.37224%0.236SC..THydrogen-bonded Turntrans-105.8-0.9-17568.90000114.3C294 C295 C319 N324C294-C322 PolarHBondContact SG-SG 2.9Å; C295-C322 HydrophobicContact CB-CB 3.9Å; C295-C322 VanDerWaalsContact SG-SG 3.62Å; C319-C322 VanDerWaalsContact SG-SG 3.64Å; C322-N324 PolarHBondContact O-N 3.03Å; C322-N324 VanDerWaalsContact SG-CB 3.54Å
323A96.3Very high95.9Very high47 Ų4750.6 Ų50.639%0.38824%0.244SC..  trans56.95.1-17600000116K318 C319 R325K318-A323 HydrophobicContact CD-CB 4.15Å; C319-A323 VanDerWaalsContact O-CA 3.27Å; C319-A323 WeakPolarHBondContact O-CA 3.46Å; C319-A323 PolarHBondContact O-N 3.11Å; A323-R325 PolarHBondContact O-N 2.73Å
324N97.1Very high95.9Very high46 Ų4653.1 Ų53.125%0.24626%0.257CS..  trans-62130.8173.4-172.8-73.9000109.8C294 C319 C322 E326 I327 F328C294-N324 HydrophobicContact CB-CB 3.87Å; C319-N324 PolarHBondContact N-O 3.03Å; C319-N324 VanDerWaalsContact N-O 3.09Å; C322-N324 PolarHBondContact O-N 3.03Å; C322-N324 VanDerWaalsContact SG-CB 3.54Å; N324-E326 PolarHBondContact OD1-N 3.45Å; N324-I327 VanDerWaalsContact OD1-CB 3.3Å; N324-I327 WeakPolarHBondContact OD1-CB 3.29Å; N324-I327 PolarHBondContact OD1-N 3.03Å; N324-F328 WeakPolarHBondContact O-CB 3.14Å
325R97Very high95.9Very high82 Ų8250.9 Ų50.931%0.30925%0.246SC..  trans-101.1-48.8-177.8-70.2174.36388.16111.1L314 H315 L317 K318 A323 F328 I329L314-R325 PolarHBondContact O-NH2 3.28Å; H315-R325 VanDerWaalsContact O-CZ 3.3Å; H315-R325 PolarHBondContact O-NH1 3.01Å; H315-R325 PolarHBondContact O-NH2 2.94Å; H315-R325 VanDerWaalsContact O-NH2 3.07Å; L317-R325 PolarHBondContact O-NH1 3.38Å; K318-R325 HydrophobicContact CB-CG 3.59Å; A323-R325 PolarHBondContact O-N 2.73Å; R325-F328 PolarHBondContact O-N 3.04Å; R325-I329 HydrophobicContact CB-CD1 4.19Å; R325-I329 VanDerWaalsContact O-CB 3.26Å; R325-I329 WeakPolarHBondContact O-CB 3.39Å; R325-I329 WeakPolarHBondContact O-CD1 3.34Å; R325-I329 WeakPolarHBondContact O-CG1 3.43Å; R325-I329 PolarHBondContact O-N 3.38Å
326E96.1Very high96.2Very high142 Ų14246.9 Ų46.966%0.66423%0.229SC*.Hα-helixtrans-64.7-51.3-169-58.279.6-168.300112N324 R330N324-E326 PolarHBondContact OD1-N 3.45Å; E326-R330 VanDerWaalsContact O-CB 3.32Å; E326-R330 WeakPolarHBondContact O-CB 3.35Å; E326-R330 PolarHBondContact O-N 3.01Å
327I97.1Very high96.2Very high86 Ų8642.7 Ų42.744%0.44121%0.213SC..Hα-helixtrans-69.8-42.9-179.2-58.1173.6000109.4L293 C294 N324 S331L293-I327 HydrophobicContact CB-CG2 4.01Å; C294-I327 HydrophobicContact CB-CB 3.99Å; C294-I327 HydrophobicContact CB-CG2 3.96Å; N324-I327 VanDerWaalsContact OD1-CB 3.3Å; N324-I327 WeakPolarHBondContact OD1-CB 3.29Å; N324-I327 PolarHBondContact OD1-N 3.03Å; I327-S331 VanDerWaalsContact O-CB 3.3Å; I327-S331 WeakPolarHBondContact O-CB 3.45Å; I327-S331 PolarHBondContact O-N 3.25Å; I327-S331 PolarHBondContact O-OG 2.79Å
328F97.4Very high96.2Very high0 Ų044.2 Ų44.20%022%0.218CC..Hα-helixtrans-62.4-54.5-177.4-177.1-105.9000112.1C294 M300 I305 L317 K318 C319 N324 R325 R330 S331 I332C294-F328 HydrophobicContact CB-CB 4.44Å; M300-F328 HydrophobicContact CE-CE2 3.8Å; M300-F328 HydrophobicContact CE-CZ 4.3Å; M300-F328 HydrophobicContact SD-CE2 3.59Å; M300-F328 VanDerWaalsContact SD-CE2 3.59Å; M300-F328 HydrophobicContact SD-CZ 3.61Å; I305-F328 HydrophobicContact CD1-CE1 4.08Å; I305-F328 HydrophobicContact CD1-CZ 3.65Å; L317-F328 HydrophobicContact CD1-CE1 4.02Å; L317-F328 HydrophobicContact CG-CE1 4.22Å; K318-F328 VanDerWaalsContact C-CD1 3.48Å; C319-F328 HydrophobicContact CB-CB 4.12Å; C319-F328 HydrophobicContact CB-CD1 4.44Å; C319-F328 HydrophobicContact CB-CD2 3.71Å; C319-F328 HydrophobicContact CB-CE2 4.21Å; C319-F328 HydrophobicContact CB-CG 3.83Å; N324-F328 WeakPolarHBondContact O-CB 3.14Å; R325-F328 PolarHBondContact O-N 3.04Å; F328-R330 VanDerWaalsContact C-N 3.33Å; F328-R330 PolarHBondContact O-N 3.21Å; F328-S331 PolarHBondContact O-N 3.08Å; F328-S331 PolarHBondContact O-OG 3.49Å; F328-I332 HydrophobicContact CE1-CD1 4.36Å; F328-I332 HydrophobicContact CE2-CG2 4.45Å; F328-I332 HydrophobicContact CZ-CG2 4.45Å; F328-I332 PolarHBondContact O-N 3.19Å
329I97.1Very high96.2Very high21 Ų2142 Ų4211%0.10821%0.211CC..Hα-helixtrans-60.5-44.3-179.5-66167.2000110.1L314 L317 R325 S331 I332 I333L314-I329 HydrophobicContact CD1-CD1 4.22Å; L314-I329 HydrophobicContact CD1-CG2 4.2Å; L317-I329 HydrophobicContact CB-CG1 4.5Å; L317-I329 HydrophobicContact CD2-CG1 4.31Å; L317-I329 HydrophobicContact CG-CG1 4.24Å; L317-I329 WeakPolarHBondContact O-CD1 3.29Å; R325-I329 HydrophobicContact CB-CD1 4.19Å; R325-I329 VanDerWaalsContact O-CB 3.26Å; R325-I329 WeakPolarHBondContact O-CB 3.39Å; R325-I329 WeakPolarHBondContact O-CD1 3.34Å; R325-I329 WeakPolarHBondContact O-CG1 3.43Å; R325-I329 PolarHBondContact O-N 3.38Å; I329-S331 VanDerWaalsContact C-N 3.35Å; I329-S331 PolarHBondContact O-N 2.94Å; I329-I332 WeakPolarHBondContact O-CG1 3.35Å; I329-I332 PolarHBondContact O-N 3.44Å; I329-I333 HydrophobicContact CG2-CD1 3.65Å; I329-I333 HydrophobicContact CG2-CG1 4.39Å; I329-I333 WeakPolarHBondContact O-CG1 3.3Å; I329-I333 PolarHBondContact O-N 2.84Å; I329-I333 VanDerWaalsContact O-N 3.13Å
330R96.5Very high96Very high111 Ų11142.1 Ų42.142%0.41921%0.211SC..Hα-helixtrans-60.3-46.1178.2-17766.3-161.1176.46.3111.7E118 E326 F328 I332 I333 D334E118-R330 IonicContact OE1-NH1 3.62Å; E118-R330 PolarHBondContact OE1-NH1 2.82Å; E118-R330 IonicContact OE2-CZ 3.29Å; E118-R330 IonicContact OE2-NH1 3.1Å; E118-R330 PolarHBondContact OE2-NH1 3.3Å; E118-R330 IonicContact OE2-NH2 3.7Å; E326-R330 VanDerWaalsContact O-CB 3.32Å; E326-R330 WeakPolarHBondContact O-CB 3.35Å; E326-R330 PolarHBondContact O-N 3.01Å; F328-R330 VanDerWaalsContact C-N 3.33Å; F328-R330 PolarHBondContact O-N 3.21Å; R330-I332 VanDerWaalsContact C-N 3.32Å; R330-I332 PolarHBondContact O-N 3.17Å; R330-I333 PolarHBondContact O-N 3.19Å; R330-D334 IonicContact CZ-OD1 3.2Å; R330-D334 IonicContact CZ-OD2 3.24Å; R330-D334 IonicContact NE-OD1 3.75Å; R330-D334 PolarHBondContact NE-OD1 2.95Å; R330-D334 VanDerWaalsContact NE-OD1 3.15Å; R330-D334 IonicContact NE-OD2 3.54Å; R330-D334 PolarHBondContact NE-OD2 2.92Å; R330-D334 IonicContact NH2-OD1 3.72Å; R330-D334 PolarHBondContact NH2-OD1 2.88Å; R330-D334 IonicContact NH2-OD2 3.56Å; R330-D334 WeakPolarHBondContact O-CB 3.48Å; R330-D334 PolarHBondContact O-N 3.06Å
331S95.8Very high95.9Very high3 Ų343.9 Ų43.92%0.02122%0.219CC..Hα-helixtrans-59.4-40.4-177.575.10000113G292 I327 F328 I329 T335G292-S331 VanDerWaalsContact CA-OG 3.26Å; G292-S331 WeakPolarHBondContact CA-OG 3.43Å; G292-S331 WeakPolarHBondContact O-CB 3.44Å; G292-S331 PolarHBondContact O-OG 3.47Å; I327-S331 VanDerWaalsContact O-CB 3.3Å; I327-S331 WeakPolarHBondContact O-CB 3.45Å; I327-S331 PolarHBondContact O-N 3.25Å; I327-S331 PolarHBondContact O-OG 2.79Å; F328-S331 PolarHBondContact O-N 3.08Å; F328-S331 PolarHBondContact O-OG 3.49Å; I329-S331 VanDerWaalsContact C-N 3.35Å; I329-S331 PolarHBondContact O-N 2.94Å; S331-T335 WeakPolarHBondContact O-CG2 3.21Å; S331-T335 PolarHBondContact O-N 3.02Å
332I95.9Very high95.7Very high0 Ų043 Ų430%022%0.218CC..Hα-helixtrans-78.2-36.1-177.665172000110.9I290 M300 I305 L317 F328 I329 R330 D334 T335 G336 I337 V339I290-I332 HydrophobicContact CG2-CG2 4.28Å; M300-I332 HydrophobicContact CE-CG2 3.99Å; I305-I332 HydrophobicContact CD1-CD1 4.06Å; I305-I332 HydrophobicContact CD1-CG2 4.33Å; I305-I332 HydrophobicContact CG1-CB 4.26Å; I305-I332 HydrophobicContact CG1-CD1 4.11Å; I305-I332 HydrophobicContact CG1-CG2 3.79Å; L317-I332 HydrophobicContact CD2-CD1 3.59Å; L317-I332 HydrophobicContact CG-CD1 4.39Å; F328-I332 HydrophobicContact CE1-CD1 4.36Å; F328-I332 HydrophobicContact CE2-CG2 4.45Å; F328-I332 HydrophobicContact CZ-CG2 4.45Å; F328-I332 PolarHBondContact O-N 3.19Å; I329-I332 WeakPolarHBondContact O-CG1 3.35Å; I329-I332 PolarHBondContact O-N 3.44Å; R330-I332 VanDerWaalsContact C-N 3.32Å; R330-I332 PolarHBondContact O-N 3.17Å; I332-D334 VanDerWaalsContact C-N 3.35Å; I332-D334 PolarHBondContact O-N 3.14Å; I332-T335 PolarHBondContact O-N 3.47Å; I332-T335 VanDerWaalsContact O-N 3.17Å; I332-T335 PolarHBondContact O-OG1 2.99Å; I332-G336 PolarHBondContact O-N 2.79Å; I332-I337 HydrophobicContact CB-CB 4.14Å; I332-I337 HydrophobicContact CB-CG1 4.17Å; I332-I337 HydrophobicContact CD1-CG2 4.39Å; I332-I337 HydrophobicContact CG1-CB 4.5Å; I332-I337 WeakPolarHBondContact O-CB 3.27Å; I332-I337 WeakPolarHBondContact O-CG1 3.43Å; I332-I337 PolarHBondContact O-N 2.79Å; I332-V339 HydrophobicContact CD1-CG2 3.97Å; I332-V339 HydrophobicContact CG1-CG2 4.46Å
333I95.8Very high95.5Very high30 Ų3044.3 Ų44.315%0.15422%0.221CC..Hα-helixtrans-63-43.1175-70.1173.6000110.4I116 E118 I329 R330 T335 G336 V339I116-I333 HydrophobicContact CG2-CG2 4.33Å; E118-I333 HydrophobicContact CB-CG2 4.41Å; I329-I333 HydrophobicContact CG2-CD1 3.65Å; I329-I333 HydrophobicContact CG2-CG1 4.39Å; I329-I333 WeakPolarHBondContact O-CG1 3.3Å; I329-I333 PolarHBondContact O-N 2.84Å; I329-I333 VanDerWaalsContact O-N 3.13Å; R330-I333 PolarHBondContact O-N 3.19Å; I333-T335 PolarHBondContact O-N 2.88Å; I333-G336 WeakPolarHBondContact O-CA 3.12Å; I333-G336 PolarHBondContact O-N 3.35Å; I333-V339 HydrophobicContact CD1-CG2 4.25Å; I333-V339 HydrophobicContact CG1-CG2 3.9Å
334D95.1Very high95.4Very high53 Ų5342 Ų4228%0.28320%0.203SC..Hα-helixtrans-62.5-24178-76.5-27.8000112.7R330 I332 G336R330-D334 IonicContact CZ-OD1 3.2Å; R330-D334 IonicContact CZ-OD2 3.24Å; R330-D334 IonicContact NE-OD1 3.75Å; R330-D334 PolarHBondContact NE-OD1 2.95Å; R330-D334 VanDerWaalsContact NE-OD1 3.15Å; R330-D334 IonicContact NE-OD2 3.54Å; R330-D334 PolarHBondContact NE-OD2 2.92Å; R330-D334 IonicContact NH2-OD1 3.72Å; R330-D334 PolarHBondContact NH2-OD1 2.88Å; R330-D334 IonicContact NH2-OD2 3.56Å; R330-D334 WeakPolarHBondContact O-CB 3.48Å; R330-D334 PolarHBondContact O-N 3.06Å; I332-D334 VanDerWaalsContact C-N 3.35Å; I332-D334 PolarHBondContact O-N 3.14Å; D334-G336 VanDerWaalsContact C-N 3.33Å
335T94.8Very high95.1Very high12 Ų1241.4 Ų41.47%0.07420%0.204CC..THydrogen-bonded Turntrans-87.81.5172.366.60000113.8Q132 I290 R302 S331 I332 I333Q132-T335 VanDerWaalsContact CD-CG2 3.41Å; Q132-T335 HydrophobicContact CG-CG2 3.71Å; I290-T335 WeakPolarHBondContact CD1-OG1 3.23Å; I290-T335 HydrophobicContact CG1-CG2 4.44Å; I290-T335 HydrophobicContact CG2-CG2 4.19Å; R302-T335 VanDerWaalsContact CZ-O 3.26Å; R302-T335 PolarHBondContact NH1-O 2.76Å; R302-T335 PolarHBondContact NH2-O 3.2Å; S331-T335 WeakPolarHBondContact O-CG2 3.21Å; S331-T335 PolarHBondContact O-N 3.02Å; I332-T335 PolarHBondContact O-N 3.47Å; I332-T335 VanDerWaalsContact O-N 3.17Å; I332-T335 PolarHBondContact O-OG1 2.99Å; I333-T335 PolarHBondContact O-N 2.88Å
336G95.5Very high94.8Very high6 Ų639.4 Ų39.46%0.06220%0.196CC..THydrogen-bonded Turntrans84.329.2177.900000114.8T115 I332 I333 D334T115-G336 WeakPolarHBondContact O-CA 3.16Å; I332-G336 PolarHBondContact O-N 2.79Å; I333-G336 WeakPolarHBondContact O-CA 3.12Å; I333-G336 PolarHBondContact O-N 3.35Å; D334-G336 VanDerWaalsContact C-N 3.33Å
337I96.4Very high94.6Very high0 Ų034.2 Ų34.20%017%0.172CC..  trans-84.5127.4165.4-57.8-58.6000108.6L25 I290 R302 I305 A306 A309 I332L25-I337 HydrophobicContact CD2-CD1 3.78Å; I290-I337 HydrophobicContact CD1-CD1 3.82Å; I290-I337 HydrophobicContact CD1-CG1 3.8Å; R302-I337 HydrophobicContact CG-CD1 4.07Å; I305-I337 HydrophobicContact CG2-CD1 3.93Å; I305-I337 HydrophobicContact CG2-CG1 4.02Å; A306-I337 HydrophobicContact CB-CD1 4.09Å; A309-I337 HydrophobicContact CB-CG2 3.77Å; I332-I337 HydrophobicContact CB-CB 4.14Å; I332-I337 HydrophobicContact CB-CG1 4.17Å; I332-I337 HydrophobicContact CD1-CG2 4.39Å; I332-I337 HydrophobicContact CG1-CB 4.5Å; I332-I337 WeakPolarHBondContact O-CB 3.27Å; I332-I337 WeakPolarHBondContact O-CG1 3.43Å; I332-I337 PolarHBondContact O-N 2.79Å
338W96.2Very high94.2Very high32 Ų3235.2 Ų35.212%0.12118%0.177CC..  trans-79.3132.7172.7177.159.6000110.2T39 N40 F43 F117 A309 V310 P340T39-W338 HydrophobicContact CG2-CH2 3.6Å; T39-W338 HydrophobicContact CG2-CZ2 3.63Å; T39-W338 HydrophobicContact CG2-CZ3 4.23Å; N40-W338 VanDerWaalsContact OD1-CD2 3.27Å; F43-W338 AromaticContact CE2-CE2 3.99Å; F43-W338 HydrophobicContact CE2-CZ2 4.01Å; F43-W338 AromaticContact CE2-NE1 3.83Å; F117-W338 HydrophobicContact CB-CB 4.11Å; F117-W338 HydrophobicContact CB-CG 4.25Å; F117-W338 HydrophobicContact CD1-CB 4.46Å; F117-W338 HydrophobicContact CD2-CB 3.63Å; F117-W338 HydrophobicContact CD2-CG 4.49Å; F117-W338 HydrophobicContact CE2-CB 4.15Å; F117-W338 HydrophobicContact CG-CB 3.8Å; F117-W338 AromaticContact CG-CD1 3.96Å; F117-W338 HydrophobicContact CG-CG 4.19Å; A309-W338 WeakPolarHBondContact CB-O 3.36Å; V310-W338 HydrophobicContact CG2-CE3 3.99Å; V310-W338 HydrophobicContact CG2-CZ3 4.04Å; W338-P340 HydrophobicContact CH2-CB 3.63Å; W338-P340 HydrophobicContact CH2-CG 4.05Å; W338-P340 HydrophobicContact CZ2-CB 3.58Å; W338-P340 HydrophobicContact CZ2-CG 4.37Å; W338-P340 HydrophobicContact CZ3-CB 4.2Å; W338-P340 HydrophobicContact CZ3-CG 4.13Å
339V95.7Very high93.7Very high21 Ų2140.6 Ų40.613%0.12720%0.203CC..  trans-121.6108.3175.3-177.70000107A309 L314 L317 I332 I333A309-V339 HydrophobicContact CB-CG2 4.07Å; L314-V339 HydrophobicContact CB-CG1 4.17Å; L314-V339 HydrophobicContact CD1-CG1 4.12Å; L317-V339 HydrophobicContact CD2-CB 4.28Å; L317-V339 HydrophobicContact CD2-CG1 3.6Å; L317-V339 HydrophobicContact CD2-CG2 3.63Å; I332-V339 HydrophobicContact CD1-CG2 3.97Å; I332-V339 HydrophobicContact CG1-CG2 4.46Å; I333-V339 HydrophobicContact CD1-CG2 4.25Å; I333-V339 HydrophobicContact CG1-CG2 3.9Å
340P94Very high93.3Very high2 Ų245.7 Ų45.71%0.01324%0.237CC..  trans-70.5145.3176.727.4-32000111.2A313 L314 W338 Q342A313-P340 CarbonylContact C-O 3.42Å; A313-P340 WeakPolarHBondContact CA-O 3.27Å; A313-P340 HydrophobicContact CB-CG 4.13Å; A313-P340 WeakPolarHBondContact CB-O 3.22Å; L314-P340 WeakPolarHBondContact CB-O 3.38Å; L314-P340 PolarHBondContact N-O 3.46Å; W338-P340 HydrophobicContact CH2-CB 3.63Å; W338-P340 HydrophobicContact CH2-CG 4.05Å; W338-P340 HydrophobicContact CZ2-CB 3.58Å; W338-P340 HydrophobicContact CZ2-CG 4.37Å; W338-P340 HydrophobicContact CZ3-CB 4.2Å; W338-P340 HydrophobicContact CZ3-CG 4.13Å; P340-Q342 HydrophobicContact CB-CG 3.85Å; P340-Q342 HydrophobicContact CG-CG 4.01Å; P340-Q342 PolarHBondContact O-N 3.3Å
341D92.9Very high92.9Very high78 Ų7843.1 Ų43.142%0.41725%0.246SC..  trans-90.890.7168.5-167.318.2000108.1L314 H315 L423L314-D341 HydrophobicContact CB-CB 4.46Å; L314-D341 HydrophobicContact CD2-CB 4.2Å; H315-D341 IonicContact CE1-OD1 2.9Å; H315-D341 PolarHBondContact CE1-OD1 3.26Å; H315-D341 IonicContact NE2-OD1 2.62Å; H315-D341 PolarHBondContact NE2-OD1 3.49Å; D341-L423 HydrophobicContact CB-CD2 3.85Å; D341-L423 WeakPolarHBondContact O-CD2 3.08Å
342Q90.9Very high92.4Very high75 Ų7545.1 Ų45.135%0.3526%0.262SS..SBendtrans-156.6166-177.263.5-177.424.400109A313 H315 P340A313-Q342 HydrophobicContact CB-CG 3.51Å; A313-Q342 WeakPolarHBondContact CB-O 3.42Å; H315-Q342 PolarHBondContact CD2-O 3.4Å; H315-Q342 VanDerWaalsContact CD2-O 3.25Å; P340-Q342 HydrophobicContact CB-CG 3.85Å; P340-Q342 HydrophobicContact CG-CG 4.01Å; P340-Q342 PolarHBondContact O-N 3.3Å
343D92.4Very high91.9Very high83 Ų8350.9 Ų50.944%0.44429%0.285SS..  trans-60.2151168.4-65.7-25.3000110.3E347 L348D343-E347 HydrophobicContact CB-CB 4.33Å; D343-E347 WeakPolarHBondContact CB-OE2 3.37Å; D343-L348 HydrophobicContact CB-CD2 4.11Å; D343-L348 HydrophobicContact CB-CG 4.37Å
344A93.4Very high91.3Very high0 Ų052.3 Ų52.30%030%0.301CS..  trans-63.7148.1-179.800000110.2S311 Y316 W346 E347S311-A344 WeakPolarHBondContact O-CA 3.25Å; Y316-A344 HydrophobicContact CD2-CB 3.58Å; Y316-A344 HydrophobicContact CE2-CB 4.2Å; Y316-A344 HydrophobicContact CG-CB 4.16Å; A344-W346 HydrophobicContact CB-CD2 3.65Å; A344-W346 HydrophobicContact CB-CE3 4.08Å; A344-W346 HydrophobicContact CB-CG 4.22Å; A344-W346 HydrophobicContact CB-CH2 3.85Å; A344-W346 HydrophobicContact CB-CZ2 3.37Å; A344-W346 HydrophobicContact CB-CZ3 4.16Å; A344-W346 PolarHBondContact O-N 2.8Å; A344-E347 HydrophobicContact CB-CG 4.39Å; A344-E347 PolarHBondContact N-OE2 3.49Å; A344-E347 VanDerWaalsContact N-OE2 3.14Å; A344-E347 WeakPolarHBondContact O-CB 3.31Å; A344-E347 PolarHBondContact O-N 3.5Å
345A91.9Very high90.7Very high33 Ų3355.9 Ų55.927%0.27332%0.32SS..G310 helixtrans-54.6-34.8-176.800000112.5S311 E347 L348S311-A345 PolarHBondContact O-N 2.78Å; A345-E347 VanDerWaalsContact C-N 3.27Å; A345-E347 PolarHBondContact O-N 2.99Å; A345-L348 PolarHBondContact O-N 3.18Å
346W90.7Very high90.2Very high40 Ų4061.5 Ų61.515%0.15235%0.349CS..G310 helixtrans-72.4-13.8177.857.275.7000114.8A312 Y316 A344 A352 L486 V489 T490A312-W346 HydrophobicContact CB-CH2 3.67Å; A312-W346 HydrophobicContact CB-CZ3 4.16Å; Y316-W346 HydrophobicContact CD1-CZ2 4.3Å; Y316-W346 HydrophobicContact CD2-CZ2 4.46Å; Y316-W346 AromaticContact CG-CZ2 3.9Å; Y316-W346 HydrophobicContact CG-CZ2 3.9Å; A344-W346 HydrophobicContact CB-CD2 3.65Å; A344-W346 HydrophobicContact CB-CE3 4.08Å; A344-W346 HydrophobicContact CB-CG 4.22Å; A344-W346 HydrophobicContact CB-CH2 3.85Å; A344-W346 HydrophobicContact CB-CZ2 3.37Å; A344-W346 HydrophobicContact CB-CZ3 4.16Å; A344-W346 PolarHBondContact O-N 2.8Å; W346-A352 WeakPolarHBondContact O-CB 3.45Å; W346-L486 HydrophobicContact CZ2-CD1 4.49Å; W346-V489 HydrophobicContact CB-CG1 4.23Å; W346-T490 HydrophobicContact CE3-CG2 4.34Å; W346-T490 HydrophobicContact CH2-CG2 3.68Å; W346-T490 HydrophobicContact CZ2-CG2 4.35Å; W346-T490 HydrophobicContact CZ3-CG2 3.7Å
347E91.7Very high89.2Confident32 Ų3266 Ų6615%0.1538%0.375CS..G310 helixtrans-85.6-18.9172.5-67.1-177.1141.200112.4Y316 D343 A344 A345 Y353Y316-E347 VanDerWaalsContact CE2-CD 3.41Å; Y316-E347 WeakPolarHBondContact CE2-OE1 3.31Å; Y316-E347 WeakPolarHBondContact CE2-OE2 3.4Å; Y316-E347 PolarHBondContact OH-OE1 3.43Å; D343-E347 HydrophobicContact CB-CB 4.33Å; D343-E347 WeakPolarHBondContact CB-OE2 3.37Å; A344-E347 HydrophobicContact CB-CG 4.39Å; A344-E347 PolarHBondContact N-OE2 3.49Å; A344-E347 VanDerWaalsContact N-OE2 3.14Å; A344-E347 WeakPolarHBondContact O-CB 3.31Å; A344-E347 PolarHBondContact O-N 3.5Å; A345-E347 VanDerWaalsContact C-N 3.27Å; A345-E347 PolarHBondContact O-N 2.99Å; E347-Y353 WeakPolarHBondContact CB-OH 3.48Å
348L87.3Confident88.1Confident107 Ų10770.4 Ų70.456%0.5640%0.403SS*.SBendtrans-92.6-7.1-179.7-58.8177000112.7D343 A345D343-L348 HydrophobicContact CB-CD2 4.11Å; D343-L348 HydrophobicContact CB-CG 4.37Å; A345-L348 PolarHBondContact O-N 3.18Å
349E88.5Confident86.7Confident114 Ų11477.2 Ų77.253%0.53344%0.441SS..SBendtrans-68.2140.2178.2-66.7-62.6157.400111G351 A352E349-G351 PolarHBondContact O-N 2.97Å; E349-G351 VanDerWaalsContact O-N 3.13Å; E349-A352 WeakPolarHBondContact O-CB 3.49Å; E349-A352 PolarHBondContact O-N 3.19Å
350P88.8Confident85Confident127 Ų12780.7 Ų80.783%0.82547%0.466SS*.THydrogen-bonded Turntrans-56.4120.9176.1-23.933.5000111.3
351G87.3Confident83.1Confident58 Ų5889.6 Ų89.660%0.59851%0.507SS*.THydrogen-bonded Turntrans83.313.1-179.300000115.4E349 Y353 A354E349-G351 PolarHBondContact O-N 2.97Å; E349-G351 VanDerWaalsContact O-N 3.13Å; G351-Y353 PolarHBondContact O-N 2.82Å; G351-A354 WeakPolarHBondContact O-CB 3.3Å; G351-A354 PolarHBondContact O-N 2.95Å
352A85.1Confident81Confident45 Ų4591.7 Ų91.737%0.37253%0.527SS..THydrogen-bonded Turntrans-50.1-26.8177.900000114.6W346 E349W346-A352 WeakPolarHBondContact O-CB 3.45Å; E349-A352 WeakPolarHBondContact O-CB 3.49Å; E349-A352 PolarHBondContact O-N 3.19Å
353Y85.6Confident78.9Confident121 Ų12192.8 Ų92.848%0.47554%0.543SS..THydrogen-bonded Turntrans-111.410.7-178.4-53.7-76.1000114.1E347 G351 D355 L356E347-Y353 WeakPolarHBondContact CB-OH 3.48Å; G351-Y353 PolarHBondContact O-N 2.82Å; Y353-D355 VanDerWaalsContact C-N 3.27Å; Y353-D355 PolarHBondContact O-N 3.03Å; Y353-L356 HydrophobicContact CD1-CD1 3.79Å; Y353-L356 WeakPolarHBondContact O-CB 3.29Å; Y353-L356 PolarHBondContact O-N 3.46Å
354A84.2Confident76.5Confident60 Ų6093.8 Ų93.850%0.49656%0.556SS.*G310 helixtrans-58-38.4-175.700000112.8G351 L356 V357G351-A354 WeakPolarHBondContact O-CB 3.3Å; G351-A354 PolarHBondContact O-N 2.95Å; A354-L356 PolarHBondContact O-N 3.4Å; A354-V357 PolarHBondContact O-N 2.95Å
355D82.4Confident74.2Confident128 Ų128101.7 Ų101.768%0.68460%0.598SS**G310 helixtrans-67.9-16.4177.6-70.1-0.3000113.5Y353 R485Y353-D355 VanDerWaalsContact C-N 3.27Å; Y353-D355 PolarHBondContact O-N 3.03Å; D355-R485 IonicContact OD2-NH1 3.79Å; D355-R485 IonicContact OD2-NH2 3.03Å; D355-R485 PolarHBondContact OD2-NH2 3.24Å; D355-R485 VanDerWaalsContact OD2-NH2 3.16Å
356L83.3Confident72Confident129 Ų129108 Ų10868%0.67563%0.627SS**G310 helixtrans-89.9-9.9-179.3-57.6-175.4000112.8Y353 A354 P358Y353-L356 HydrophobicContact CD1-CD1 3.79Å; Y353-L356 WeakPolarHBondContact O-CB 3.29Å; Y353-L356 PolarHBondContact O-N 3.46Å; A354-L356 PolarHBondContact O-N 3.4Å; L356-P358 VanDerWaalsContact O-CD 3.28Å; L356-P358 WeakPolarHBondContact O-CD 3.28Å
357V74.7Confident70Confident102 Ų102113.4 Ų113.462%0.61866%0.659SS**SBendtrans-67.6118.7176.3-177.20000108.1A354 I359A354-V357 PolarHBondContact O-N 2.95Å; V357-I359 PolarHBondContact O-N 3.3Å
358P72.9Confident68.1Low91 Ų91119.4 Ų119.459%0.59169%0.692SS**  trans-56.9133.9178.3-23.333.8000110.6L356 S360L356-P358 VanDerWaalsContact O-CD 3.28Å; L356-P358 WeakPolarHBondContact O-CD 3.28Å; P358-S360 PolarHBondContact O-N 3.46Å
359I66.9Low66.1Low176 Ų176119.2 Ų119.290%0.90371%0.705SS**THydrogen-bonded Turntrans-65.62.5-177.5-61.8168.1000112.3V357V357-I359 PolarHBondContact O-N 3.3Å
360S60.3Low64.2Low93 Ų93118.7 Ų118.765%0.6571%0.714SS**THydrogen-bonded Turntrans-108.914.4-163.158.80000117.4P358P358-S360 PolarHBondContact O-N 3.46Å
361E54.1Low62.3Low190 Ų190121.6 Ų121.689%0.88872%0.717SS**SBendtrans-106.711.7174.8-69.7-169.9175.500114.7
362C47.7Very low60.5Low122 Ų122124.6 Ų124.682%0.82473%0.729SS**SBendtrans-111.267.7170.1-1440000109.6
363S48.1Very low58.5Low98 Ų98126.5 Ų126.569%0.68575%0.753SS**SBendtrans-152.2117.9172.3-71.20000110.7
364S42.3Very low56.2Low104 Ų104124.2 Ų124.273%0.72777%0.766SS**  trans59.582.7158.561.10000118.7
365N43.7Very low54Low165 Ų165127.6 Ų127.688%0.88278%0.781SS**  trans-114.275.9140-76.6-38000107.6
366L46.8Very low52Low167 Ų167126.1 Ų126.187%0.87478%0.78SS**  trans-133.365.8164.9-78.8176.3000107.6
367D49.1Very low49.9Very low153 Ų153125.8 Ų125.882%0.81878%0.784SS**  trans-10583.9161.1-69.7-35.4000107.3
368D50.3Low48.3Very low158 Ų158125.7 Ų125.785%0.84579%0.788SS**  trans-15885.2147.2-110.4-30.2000109.2S370D368-S370 PolarHBondContact O-N 3.35Å
369A45.3Very low46.6Very low102 Ų102127.1 Ų127.184%0.84380%0.8SS**  trans-74.3110.3171.100000109.2
370S49.7Very low45.4Very low104 Ų104124.5 Ų124.573%0.72780%0.797SS**  trans-135.696.4159.8-750000109.7D368D368-S370 PolarHBondContact O-N 3.35Å
371Q48.5Very low44.4Very low187 Ų187128.2 Ų128.287%0.87480%0.804SS**  trans44.5109142.5-55.2178.320.100118
372S50Low44Very low121 Ų121124.3 Ų124.385%0.84680%0.797SS**  164.6122.6109620000112.3
373G41.6Very low43.6Very low86 Ų86125 Ų12589%0.88779%0.793SS**  trans68.3123.4137.400000120.3
374G38Very low43.3Very low73 Ų73126 Ų12675%0.75380%0.798SS**  trans123.875.8146.600000116.6
375T38.1Very low43.2Very low131 Ų131128.9 Ų128.980%0.80481%0.805SS**  trans8.3116146.1-9.50000119.8
376S41.1Very low42.9Very low96 Ų96124.2 Ų124.267%0.67180%0.796SS**  trans50.6118.6131.564.20000120.1
377T39Very low42.3Very low122 Ų122129.4 Ų129.475%0.74880%0.804SS**  166.3118.595.2-62.10000110.5
378S40Very low41.8Very low100 Ų100127.2 Ų127.270%0.69980%0.8SS**  trans23.8116.5156.864.10000120.3
379S37.5Very low41.3Very low121 Ų121128.9 Ų128.985%0.84680%0.803SS**  164.785.2128.3-71.60000109.4Q381S379-Q381 PolarHBondContact O-N 3.02Å
380S42Very low41Very low122 Ų122133.5 Ų133.585%0.85380%0.804SS**  trans-9789.9174.957.20000110.2
381Q40.7Very low40.4Very low170 Ų170135.9 Ų135.979%0.79481%0.809SS**  trans-81.2107.8156.4-170.3166.5-29.200105.8S379S379-Q381 PolarHBondContact O-N 3.02Å
382C43.9Very low39.9Very low109 Ų109133.9 Ų133.974%0.73681%0.809SS**  trans-94.998.5177.757.20000109.6
383D40.1Very low39.3Very low137 Ų137134.1 Ų134.173%0.73381%0.805SS**  trans-71.8118.9163.6-62.8-46.5000108.4
384C42Very low39.1Very low117 Ų117133.4 Ų133.479%0.79180%0.798SS**  trans-125.359171.349.50000110.7
385D40Very low39Very low166 Ų166139.2 Ų139.289%0.88881%0.805SS**  trans-90.9103.5157.6-76.6-38.1000108.2
386G37.8Very low38.9Very low66 Ų66136.6 Ų136.668%0.6880%0.804SS**  trans17056.2177.900000117.5S388G386-S388 VanDerWaalsContact C-N 3.31Å; G386-S388 PolarHBondContact O-N 3.47Å
387W34.2Very low38.7Very low277 Ų277136 Ų136100%1.04981%0.813SS**  trans-81.486.9154.1-92.58.8000109.2
388S37.6Very low38.4Very low106 Ų106138.3 Ų138.374%0.74182%0.815SS**  trans-100.4116.6167.3-165.30000108.6G386 K390G386-S388 VanDerWaalsContact C-N 3.31Å; G386-S388 PolarHBondContact O-N 3.47Å; S388-K390 PolarHBondContact O-N 3.02Å; S388-K390 VanDerWaalsContact O-N 3.11Å
389Q41.1Very low38.1Very low193 Ų193140.6 Ų140.690%0.90282%0.824SS**  trans-58109.9174.1-79.3170.9-59.700109.7N391Q389-N391 PolarHBondContact O-N 3.11Å
390K38.3Very low37.9Very low199 Ų199139.4 Ų139.487%0.86581%0.812SS**  trans-75.1116.3170.7-83-179.9176.1175.40109.9S388S388-K390 PolarHBondContact O-N 3.02Å; S388-K390 VanDerWaalsContact O-N 3.11Å
391N36.8Very low37.7Very low155 Ų155141.7 Ų141.783%0.82981%0.809SS**  trans-59.8127.4162.5-81.3-29.7000110.5Q389Q389-N391 PolarHBondContact O-N 3.11Å
392V37.8Very low37.4Very low145 Ų145140 Ų14088%0.87981%0.81SS**  trans-81.8113.2170.2175.40000108.3
393V36.8Very low37Very low125 Ų125138.3 Ų138.376%0.75881%0.812SS**  trans-96.9113.3167.9176.70000107.6
394G39.3Very low36.7Very low71 Ų71139.6 Ų139.673%0.73282%0.819SS**  trans-90.9117.7171.600000111
395H34.7Very low36.4Very low195 Ų195138.4 Ų138.490%0.90382%0.817SS**  trans-72131167.9-85.8-50.8000111.1
396G36.6Very low36.3Very low77 Ų77136 Ų13679%0.79481%0.813SS**  trans-147.1124.5167.800000110
397G35.6Very low36.3Very low82 Ų82138.1 Ų138.185%0.84582%0.817SS**  trans-74.2149.4-162.800000117.6
398H32.9Very low36.4Very low172 Ų172130.7 Ų130.780%0.79681%0.808SS**  trans3.2123.3146.7-116.6-90.6000119
399V34.5Very low36.3Very low148 Ų148129.5 Ų129.590%0.89781%0.813SS**  -152.1136.1120.4177.70000109.5
400T33Very low36.1Very low95 Ų95126.2 Ų126.258%0.58381%0.811SS**  trans-84.3142-167.4-24.60000113.8
401Q37.7Very low35.9Very low171 Ų171122.7 Ų122.780%0.79981%0.808SS**  170.9109.7117.5-92.517667.800114.3
402T33.9Very low35.7Very low133 Ų133120.1 Ų120.182%0.81680%0.803SS**  trans49.1125.4132.861.70000122.5
403G35.1Very low35.6Very low74 Ų74119.6 Ų119.676%0.76380%0.8SS**  trans150.871.5146.600000118.7
404N35.3Very low35.4Very low165 Ų165120.9 Ų120.988%0.88280%0.803SS**  trans19124.4151-66.3-10.4000122.2
405A35.7Very low35.3Very low91 Ų91126.3 Ų126.375%0.75281%0.809SS**  146.5108.7103.700000114.6
406S36.5Very low35Very low115 Ų115126.3 Ų126.380%0.80481%0.809SS**  trans43.5111.4134.5-46.20000121.6
407S39.5Very low34.9Very low111 Ų111132.3 Ų132.378%0.77681%0.808SS**  162.6122.6100.250.90000114.2
408S35.6Very low34.8Very low121 Ų121134.6 Ų134.685%0.84681%0.805SS**  trans40.9111.414659.20000121.7
409G34.7Very low34.7Very low82 Ų82131.7 Ų131.785%0.84580%0.801SS**  trans-169.9110156.800000111.4
410S36.9Very low34.7Very low123 Ų123131.1 Ų131.186%0.8680%0.798SS**PPolyproline II helixtrans-64151.6-175.1-52.10000114.2
411P34Very low34.4Very low125 Ų125134 Ų13481%0.81281%0.809SS**PPolyproline II helixtrans-90.7145.7-170.335.2-32.2000114
412S33.5Very low34.1Very low102 Ų102130.7 Ų130.771%0.71380%0.802SS**PPolyproline II helixtrans-69.8132.3170.6174.30000111.2
413T36.6Very low34.1Very low133 Ų133128.9 Ų128.982%0.81679%0.787SS**  trans-86.7105.9165.142.40000109.6
414D32.8Very low33.9Very low153 Ų153131.5 Ų131.582%0.81878%0.782SS**  trans-70.8121.2165.8-78.1-41.6000109.8
415Q35.3Very low33.6Very low185 Ų185129 Ų12986%0.86476%0.761SS**  trans-103111.6161.6-81.2-173.6-9.400108.4R417Q415-R417 PolarHBondContact O-N 2.75Å; Q415-R417 VanDerWaalsContact O-N 3.16Å
416E30.2Very low33.3Very low195 Ų195130 Ų13091%0.91175%0.754SS**  trans-55.7107.2174.7-164.3173.2167.700110.4
417R33.8Very low33.1Very low203 Ų203130 Ų13077%0.76674%0.744SS**PPolyproline II helixtrans-91.2118.4169.8-86.4-175.6177-178.4-0.3109.1Q415Q415-R417 PolarHBondContact O-N 2.75Å; Q415-R417 VanDerWaalsContact O-N 3.16Å
418V32.8Very low32.7Very low129 Ų129132.1 Ų132.178%0.78274%0.742SS**PPolyproline II helixtrans-58.2132.2168.5-179.30000109.5V420V418-V420 PolarHBondContact O-N 3.12Å
419P31.7Very low32.5Very low111 Ų111135.6 Ų135.672%0.72174%0.742SS**PPolyproline II helixtrans-73.7124.3-176.428.2-32000111.1L421P419-L421 PolarHBondContact O-N 3.39Å
420V33.1Very low32.2Very low137 Ų137141.2 Ų141.283%0.8374%0.743SS**  trans-64.3114.2166.2178.80000107.9V418V418-V420 PolarHBondContact O-N 3.12Å
421L28.5Very low31.9Very low154 Ų154145.5 Ų145.581%0.80675%0.747SS**  trans-57.1134.3175.9-76.6164.8000110.3P419 L423P419-L421 PolarHBondContact O-N 3.39Å; L421-L423 PolarHBondContact O-N 3.16Å
422P31.2Very low31.9Very low102 Ų102149 Ų14966%0.66275%0.749SS**  trans-70.3121-179.426.7-29.7000110.2I424P422-I424 PolarHBondContact O-N 3.31Å; P422-I424 VanDerWaalsContact O-N 3.1Å
423L33.8Very low31.7Very low96 Ų96148.5 Ų148.550%0.50375%0.745SS.*  trans-61.5106171.1-83.4164.2000110.7D341 L421D341-L423 HydrophobicContact CB-CD2 3.85Å; D341-L423 WeakPolarHBondContact O-CD2 3.08Å; L421-L423 PolarHBondContact O-N 3.16Å
424I29.5Very low31.4Very low128 Ų128153.9 Ų153.966%0.65675%0.751SS**  trans-90.1106.7172.8-62.1172.1000108.5P422P422-I424 PolarHBondContact O-N 3.31Å; P422-I424 VanDerWaalsContact O-N 3.1Å
425W29.7Very low31.5Very low114 Ų114150.2 Ų150.243%0.43275%0.749SS.*  trans-85.1109.9168.9-163.6-59.8000110E118 N427E118-W425 HydrophobicContact CG-CH2 4.03Å; E118-W425 HydrophobicContact CG-CZ2 3.99Å; W425-N427 VanDerWaalsContact CD1-CG 3.41Å; W425-N427 PolarHBondContact NE1-ND2 3.02Å; W425-N427 PolarHBondContact NE1-OD1 3.23Å
426N28.9Very low31.4Very low112 Ų112151.6 Ų151.660%0.59975%0.752SS**  trans-97.196176.1-164.85.9000111.6Q428N426-Q428 PolarHBondContact O-N 3.19Å; N426-Q428 WeakPolarHBondContact OD1-CG 3.49Å
427N32.9Very low31.6Very low113 Ų113151.9 Ų151.960%0.60475%0.75SS**  trans-94.564.3172.9-90.6-25.3000111.6W425 K429W425-N427 VanDerWaalsContact CD1-CG 3.41Å; W425-N427 PolarHBondContact NE1-ND2 3.02Å; W425-N427 PolarHBondContact NE1-OD1 3.23Å; N427-K429 PolarHBondContact O-N 3.45Å
428Q30.6Very low31.6Very low157 Ų157148 Ų14873%0.73475%0.752SS**  trans-88.282.2166.1-78.2-176.127.800110.3N426N426-Q428 PolarHBondContact O-N 3.19Å; N426-Q428 WeakPolarHBondContact OD1-CG 3.49Å
429K31Very low31.5Very low194 Ų194147.8 Ų147.884%0.84376%0.756SS**SBendtrans172.882149.8-94.5156.9-168.2-176.90109.8N427N427-K429 PolarHBondContact O-N 3.45Å
430F30.2Very low31.6Very low199 Ų199147.5 Ų147.587%0.87376%0.763SS**  trans-173.674.1144.8-99.9-69000109.1K432F430-K432 PolarHBondContact O-N 3.25Å
431K29.6Very low31.6Very low214 Ų214152.7 Ų152.793%0.9377%0.767SS**  trans-77.3102162.6-76.6-177.5177.9176.60108
432K33.7Very low31.7Very low197 Ų197157.4 Ų157.486%0.85778%0.775SS**  trans-111.7107.4153.6-84.7-172.8177.5178.20108.5F430F430-K432 PolarHBondContact O-N 3.25Å
433S29.5Very low31.7Very low92 Ų92163.9 Ų163.964%0.64379%0.786SS**  trans-76.6158.7179.474.70000112.4
434R31.1Very low31.9Very low246 Ų246165.8 Ų165.893%0.92880%0.801SS**  trans86131.9159.2-59.9165.8175.6-163.8-2.9114.7
435G34.8Very low32.2Very low76 Ų76167.8 Ų167.878%0.78481%0.807SS**  cis178.41431.800000107.7
436K33.1Very low32.3Very low214 Ų214169.8 Ų169.893%0.9383%0.825SS**  trans-69.9130.9175.8-80.4175.6173.1174.60110.7
437K34.3Very low32.6Very low201 Ų201169.3 Ų169.387%0.87483%0.828SS**  trans-142.8138.8143.7-85.1-167.9177.8-1800109.5
438P32.6Very low32.5Very low123 Ų123173 Ų17380%0.79984%0.842SS**  trans-92.9148.2-174.135.4-31000113.5
439S30.5Very low32.7Very low124 Ų124170.5 Ų170.587%0.86785%0.848SS**  trans36.9111.4146.9-156.60000120.6
440A35.4Very low33Very low104 Ų104168.9 Ų168.986%0.8685%0.847SS**  trans-157.4138.5135.300000111.1
441R31.4Very low33.4Very low246 Ų246163.9 Ų163.993%0.92883%0.834SS**  trans-85.7125.4-171.4-177.3-173.3-163.3-177.14.3110.8
442R32.6Very low33.8Very low254 Ų254160.7 Ų160.796%0.95883%0.827SS**  trans-165.9141.5143.8-113175.9-149.4-169.56112.6
443R30.3Very low33.8Very low238 Ų238157.8 Ų157.890%0.89883%0.826SS**  trans-96.3130.3-173.4161.1-159.9-106.1-157.4-5.6109
444V37.7Very low34.2Very low136 Ų136159.5 Ų159.582%0.82484%0.835SS**  trans-155.4155.6148.3-176.50000109.3
445Q35.8Very low34.3Very low169 Ų169151 Ų15179%0.7982%0.824SS**  trans-73.7144.2-158.3-65.2139.2-39.400118.3
446I31.9Very low34.3Very low156 Ų156154 Ų15480%0.883%0.83SS**  23.8152.3118.6-54.3175.8000118.1
447P34.6Very low34.4Very low102 Ų102150.3 Ų150.366%0.66283%0.825SS**  cis-139163.4819.76.6000119.5
448Q32.1Very low34.4Very low192 Ų192152.6 Ų152.690%0.89783%0.828SS**  trans37.9122.3135.7-56.1-179.1-25.200122.9
449A34.7Very low34.6Very low104 Ų104153.3 Ų153.386%0.8683%0.83SS**  trans-163135.1134.300000111.5
450I36.9Very low34.6Very low160 Ų160152.4 Ų152.482%0.82182%0.824SS**  trans-100.2-179.9172.2-55.7162000106.4
451P39.4Very low34.3Very low94 Ų94156.8 Ų156.861%0.6182%0.819SS**  cis-124.7179.6-27.921.41.8000113
452N37Very low34.3Very low146 Ų146157.1 Ų157.178%0.78182%0.82SS**  155.2129121.4-76.4-33.9000112.4
453T33Very low34.3Very low137 Ų137151.7 Ų151.784%0.8481%0.805SS**  trans-67156.6168.324.20000112
454P39Very low34.4Very low127 Ų127147.2 Ų147.283%0.82580%0.804SS**  -136.4153.1127.717.14.1000114.1
455G33.4Very low34Very low68 Ų68146.1 Ų146.170%0.70180%0.803SS**  trans-73.3-173178.700000115.7
456P34.4Very low33.9Very low138 Ų138146 Ų14690%0.89681%0.805SS**  trans-94.4151.2-14235.5-35000114.4
457T35.9Very low33.9Very low137 Ų137144.9 Ų144.984%0.8481%0.806SS**  trans-111.2125.5172.8-21.60000110.8
458R33.3Very low33.8Very low249 Ų249146.6 Ų146.694%0.9482%0.815SS**  trans-78.1125.1177.6-162.6-177.8-165.8-170.44.5109
459V36.2Very low33.8Very low138 Ų138149.2 Ų149.284%0.83682%0.817SS**  trans-132.4133.3165.2-175.10000110.2
460S31.9Very low33.6Very low106 Ų106149.9 Ų149.974%0.74182%0.815SS**  trans-86.8138.4-169.2-176.50000113.5
461R29.3Very low33.5Very low196 Ų196150 Ų15074%0.7482%0.816SS**  trans24.8127.8148.4-96.7178.8-147-146.410.7120.5H463R461-H463 PolarHBondContact NH1-NE2 3.44Å; R461-H463 VanDerWaalsContact NH1-NE2 3.11Å
462R30.7Very low33.3Very low252 Ų252153.8 Ų153.895%0.95183%0.825SS**  -138.9131.9125.7-79.9-167.8-173.8-177.21.6110.8
463H33.3Very low33.1Very low140 Ų140154.7 Ų154.765%0.64883%0.825SS**  trans-73.6144.8177.9-78.2-140.1000111.6R461R461-H463 PolarHBondContact NH1-NE2 3.44Å; R461-H463 VanDerWaalsContact NH1-NE2 3.11Å
464T31.8Very low33.1Very low144 Ų144155.2 Ų155.288%0.88382%0.822SS**  trans-141.4120143.849.10000108.5
465S28.9Very low32.8Very low113 Ų113157.8 Ų157.879%0.7982%0.823SS**  trans-73.7134.5-178.146.20000113
466I35.1Very low32.9Very low166 Ų166158.6 Ų158.685%0.85182%0.818SS**  trans-136.4127.3149.1-63.8-177.2000107.3
467T31.9Very low33.1Very low133 Ų133157.9 Ų157.982%0.81681%0.813SS**PPolyproline II helixtrans-59.5128.2-170.840.60000114.8
468T30.7Very low33.3Very low138 Ų138156.4 Ų156.485%0.84780%0.8SS**PPolyproline II helixtrans-81.4131161.726.30000110.3
469R34Very low33.5Very low248 Ų248148.8 Ų148.894%0.93679%0.785SS**PPolyproline II helixtrans-85.8123160-93.6-176.9165.8-179.6-4.4108.1
470S30Very low33.6Very low117 Ų117145.2 Ų145.282%0.81877%0.77SS**PPolyproline II helixtrans-57.5131.8175.2-54.90000111.8
471I35.2Very low34Very low164 Ų164146.6 Ų146.684%0.84177%0.769SS**  trans-116.6118.4154.5-63.2176.7000104.8E473I471-E473 PolarHBondContact O-N 3.25Å
472Q34.2Very low34.5Very low173 Ų173142.7 Ų142.781%0.80876%0.762SS**  trans-64.2125.3178.4-73.6166.2-79.100109.3D474Q472-D474 PolarHBondContact O-N 3.08Å
473E33.9Very low34.9Very low164 Ų164135 Ų13577%0.76674%0.737SS**  trans-83.6102165.1-68.3-171.4156.300108.2I471 H475I471-E473 PolarHBondContact O-N 3.25Å; E473-H475 PolarHBondContact O-N 2.97Å
474D32.4Very low35.2Very low149 Ų149131.7 Ų131.780%0.79773%0.73SS**  trans-77.2106.8167-82.1-29.4000109.2Q472 S476Q472-D474 PolarHBondContact O-N 3.08Å; D474-S476 PolarHBondContact O-N 3.19Å; D474-S476 VanDerWaalsContact O-N 3.13Å
475H32.9Very low35.6Very low180 Ų180131.9 Ų131.983%0.83371%0.714SS**  trans-68.1102.1169.7-75.2-62000110.3E473E473-H475 PolarHBondContact O-N 2.97Å
476S35.7Very low36.2Very low85 Ų85129.4 Ų129.459%0.59469%0.692SS**  trans-98.7141169.7-166.90000111.2D474 N478D474-S476 PolarHBondContact O-N 3.19Å; D474-S476 VanDerWaalsContact O-N 3.13Å; S476-N478 PolarHBondContact O-N 3.34Å
477P38.2Very low36.3Very low123 Ų123128.7 Ų128.780%0.79968%0.678SS**THydrogen-bonded Turntrans-75.314.9-165.1-10.327.5000116
478N39Very low36.9Very low107 Ų107127.2 Ų127.257%0.57266%0.662SS**THydrogen-bonded Turntrans-94.910.2-171.1-77.7-25.7000115.3S476 A480 N482S476-N478 PolarHBondContact O-N 3.34Å; N478-A480 VanDerWaalsContact C-N 3.35Å; N478-A480 PolarHBondContact O-N 3.16Å; N478-N482 PolarHBondContact O-N 2.97Å
479S38Very low37.4Very low88 Ų88124 Ų12462%0.61564%0.642SS**Hα-helixtrans-66-30.5-17375.40000114.3E483S479-E483 PolarHBondContact O-N 3.23Å
480A38.3Very low38Very low64 Ų64114 Ų11453%0.52961%0.608SS.*Hα-helixtrans-75.6-33.3-177.100000113.8N478 S484N478-A480 VanDerWaalsContact C-N 3.35Å; N478-A480 PolarHBondContact O-N 3.16Å; A480-S484 PolarHBondContact O-N 2.91Å; A480-S484 PolarHBondContact O-OG 3.03Å
481L40Very low38.6Very low135 Ų135112.2 Ų112.271%0.70759%0.59SS**Hα-helixtrans-76.2-35.8176.2-85.5165.3000111.4S484 R485L481-S484 PolarHBondContact O-N 3.26Å; L481-R485 PolarHBondContact O-N 3.08Å
482N39.1Very low39Very low113 Ų113106.5 Ų106.560%0.60457%0.571SS**Hα-helixtrans-68.6-36.8173.4-106.4-0.7000112.4N478 S484 R485 L486N478-N482 PolarHBondContact O-N 2.97Å; N482-S484 VanDerWaalsContact C-N 3.31Å; N482-S484 PolarHBondContact O-N 3.01Å; N482-R485 PolarHBondContact O-N 3.47Å; N482-L486 VanDerWaalsContact O-CB 3.3Å; N482-L486 WeakPolarHBondContact O-CB 3Å; N482-L486 PolarHBondContact O-N 3.09Å
483E39.4Very low39.6Very low91 Ų91100.6 Ų100.643%0.42555%0.549SS..Hα-helixtrans-61-38.8174.8-102.7-160115.800113.1S479 R487S479-E483 PolarHBondContact O-N 3.23Å; E483-R487 PolarHBondContact O-N 3.27Å
484S41.1Very low39.9Very low70 Ų7094.6 Ų94.649%0.4952%0.52SS..Hα-helixtrans-72.7-38.1-178-57.90000112A480 L481 N482A480-S484 PolarHBondContact O-N 2.91Å; A480-S484 PolarHBondContact O-OG 3.03Å; L481-S484 PolarHBondContact O-N 3.26Å; N482-S484 VanDerWaalsContact C-N 3.31Å; N482-S484 PolarHBondContact O-N 3.01Å
485R40.3Very low40.3Very low149 Ų14992.9 Ų92.956%0.56251%0.511SS*.Hα-helixtrans-69.4-38.8176-133.2177.8163.4-158-8110.9D355 L481 N482 R487 Q488 V489D355-R485 IonicContact OD2-NH1 3.79Å; D355-R485 IonicContact OD2-NH2 3.03Å; D355-R485 PolarHBondContact OD2-NH2 3.24Å; D355-R485 VanDerWaalsContact OD2-NH2 3.16Å; L481-R485 PolarHBondContact O-N 3.08Å; N482-R485 PolarHBondContact O-N 3.47Å; R485-R487 PolarHBondContact O-N 3.14Å; R485-Q488 PolarHBondContact O-N 2.73Å; R485-Q488 VanDerWaalsContact O-N 3.16Å; R485-V489 WeakPolarHBondContact O-CG2 3.36Å; R485-V489 PolarHBondContact O-N 2.68Å; R485-V489 VanDerWaalsContact O-N 3.11Å
486L40.8Very low40.6Very low60 Ų6087.4 Ų87.431%0.31449%0.492SS..Hα-helixtrans-62-40.5178.4-161.869000112.2W346 N482 Q488 V489 T490W346-L486 HydrophobicContact CZ2-CD1 4.49Å; N482-L486 VanDerWaalsContact O-CB 3.3Å; N482-L486 WeakPolarHBondContact O-CB 3Å; N482-L486 PolarHBondContact O-N 3.09Å; L486-Q488 VanDerWaalsContact C-N 3.31Å; L486-Q488 PolarHBondContact O-N 3.2Å; L486-V489 PolarHBondContact O-N 3.43Å; L486-T490 WeakPolarHBondContact O-CG2 3.33Å; L486-T490 PolarHBondContact O-N 3.47Å; L486-T490 PolarHBondContact O-OG1 2.93Å
487R37.5Very low40.9Very low151 Ų15188.3 Ų88.357%0.5749%0.494SS*.Hα-helixtrans-61.1-36.5175.2-73.2-179180-142.6-1.5113E483 R485 T490 L491E483-R487 PolarHBondContact O-N 3.27Å; R485-R487 PolarHBondContact O-N 3.14Å; R487-T490 WeakPolarHBondContact CA-OG1 3.36Å; R487-T490 PolarHBondContact O-OG1 3.41Å; R487-L491 WeakPolarHBondContact O-CG 3.36Å; R487-L491 PolarHBondContact O-N 3.21Å
488Q43.7Very low40.9Very low103 Ų10388.7 Ų88.748%0.48148%0.48SS..Hα-helixtrans-76.6-38.9-178.1-70.1177.2-12.100112.2R485 L486 L491 G492R485-Q488 PolarHBondContact O-N 2.73Å; R485-Q488 VanDerWaalsContact O-N 3.16Å; L486-Q488 VanDerWaalsContact C-N 3.31Å; L486-Q488 PolarHBondContact O-N 3.2Å; Q488-L491 PolarHBondContact O-N 3.26Å; Q488-G492 PolarHBondContact O-N 3.11Å
489V42.1Very low40.9Very low69 Ų6988.3 Ų88.342%0.41848%0.481SS..Hα-helixtrans-69.3-41.4177.6179.30000111W346 R485 L486 L491 G492 S493W346-V489 HydrophobicContact CB-CG1 4.23Å; R485-V489 WeakPolarHBondContact O-CG2 3.36Å; R485-V489 PolarHBondContact O-N 2.68Å; R485-V489 VanDerWaalsContact O-N 3.11Å; L486-V489 PolarHBondContact O-N 3.43Å; V489-L491 PolarHBondContact O-N 2.92Å; V489-G492 PolarHBondContact O-N 2.97Å; V489-G492 VanDerWaalsContact O-N 3.16Å; V489-S493 PolarHBondContact O-N 2.83Å
490T46.8Very low41Very low38 Ų3891.4 Ų91.423%0.23349%0.486CS..Hα-helixtrans-59.6-31.5175.945.80000113.5F308 W346 L486 R487F308-T490 HydrophobicContact CE2-CG2 4.48Å; W346-T490 HydrophobicContact CE3-CG2 4.34Å; W346-T490 HydrophobicContact CH2-CG2 3.68Å; W346-T490 HydrophobicContact CZ2-CG2 4.35Å; W346-T490 HydrophobicContact CZ3-CG2 3.7Å; L486-T490 WeakPolarHBondContact O-CG2 3.33Å; L486-T490 PolarHBondContact O-N 3.47Å; L486-T490 PolarHBondContact O-OG1 2.93Å; R487-T490 WeakPolarHBondContact CA-OG1 3.36Å; R487-T490 PolarHBondContact O-OG1 3.41Å
491L43Very low41.1Very low81 Ų8193.9 Ų93.942%0.42450%0.495SS..Hα-helixtrans-83.8-33.6177.1-71172.6000112.4R487 Q488 V489 F494 L495R487-L491 WeakPolarHBondContact O-CG 3.36Å; R487-L491 PolarHBondContact O-N 3.21Å; Q488-L491 PolarHBondContact O-N 3.26Å; V489-L491 PolarHBondContact O-N 2.92Å; L491-F494 PolarHBondContact O-N 3.26Å; L491-L495 PolarHBondContact O-N 3.22Å
492G42.1Very low40.8Very low43 Ų4391.1 Ų91.144%0.44349%0.487SS..Hα-helixtrans-62.6-46.8-18000000113.1Q488 V489 F494 L495 S496Q488-G492 PolarHBondContact O-N 3.11Å; V489-G492 PolarHBondContact O-N 2.97Å; V489-G492 VanDerWaalsContact O-N 3.16Å; G492-F494 VanDerWaalsContact C-N 3.31Å; G492-F494 PolarHBondContact O-N 3.34Å; G492-L495 PolarHBondContact O-N 3.48Å; G492-S496 PolarHBondContact O-N 3.42Å
493S47.7Very low40.5Very low50 Ų50100.2 Ų100.235%0.3551%0.513SS..Hα-helixtrans-68.2-31.7178.2-51.10000112.2V489 L495 S496V489-S493 PolarHBondContact O-N 2.83Å; S493-L495 PolarHBondContact O-N 2.97Å; S493-S496 PolarHBondContact O-N 2.97Å
494F39.7Very low40.6Very low38 Ų38100.7 Ų100.717%0.16752%0.517CS..Hα-helixtrans-68.5-30.9179.2-163.8-93.3000113.2V149 C304 L491 G492V149-F494 HydrophobicContact CG1-CE2 4.23Å; V149-F494 HydrophobicContact CG1-CZ 4.29Å; C304-F494 HydrophobicContact CB-CZ 4.38Å; L491-F494 PolarHBondContact O-N 3.26Å; G492-F494 VanDerWaalsContact C-N 3.31Å; G492-F494 PolarHBondContact O-N 3.34Å
495L40.2Very low40.5Very low113 Ų113102.3 Ų102.359%0.59252%0.518SS*.Hα-helixtrans-78.6-31.3176.7-68.7174.9000112.4L491 G492 S493 R498 T499L491-L495 PolarHBondContact O-N 3.22Å; G492-L495 PolarHBondContact O-N 3.48Å; S493-L495 PolarHBondContact O-N 2.97Å; L495-R498 PolarHBondContact O-N 3.08Å; L495-T499 PolarHBondContact O-N 3.49Å
496S40Very low40.6Very low64 Ų6499.7 Ų99.745%0.44852%0.516SS..Hα-helixtrans-64-42.2179.6-162.40000112.2G492 S493 R498 T499G492-S496 PolarHBondContact O-N 3.42Å; S493-S496 PolarHBondContact O-N 2.97Å; S496-R498 VanDerWaalsContact C-N 3.31Å; S496-R498 PolarHBondContact O-N 2.97Å; S496-T499 PolarHBondContact O-N 3.06Å; S496-T499 VanDerWaalsContact O-N 3.11Å; S496-T499 PolarHBondContact O-OG1 2.96Å
497V41.8Very low40.5Very low105 Ų105102.1 Ų102.164%0.63653%0.528SS*.Hα-helixtrans-65.8-30.5179.3-1790000112.7T499V497-T499 VanDerWaalsContact C-N 3.31Å; V497-T499 PolarHBondContact O-N 3.06Å
498R37.2Very low40.7Very low131 Ų13199 Ų9949%0.49453%0.525SS..Hα-helixtrans-75.2-17175.6-95.6-179.6169.1163.6-3.2114.2L495 S496L495-R498 PolarHBondContact O-N 3.08Å; S496-R498 VanDerWaalsContact C-N 3.31Å; S496-R498 PolarHBondContact O-N 2.97Å
499T40.6Very low40.5Very low98 Ų9898.7 Ų98.760%0.60153%0.528SS*.Hα-helixtrans-88.7-14.9-180600000113.7L495 S496 V497L495-T499 PolarHBondContact O-N 3.49Å; S496-T499 PolarHBondContact O-N 3.06Å; S496-T499 VanDerWaalsContact O-N 3.11Å; S496-T499 PolarHBondContact O-OG1 2.96Å; V497-T499 VanDerWaalsContact C-N 3.31Å; V497-T499 PolarHBondContact O-N 3.06Å
500Q39.5Very low40.4Very low153 Ų153100.9 Ų100.972%0.71554%0.536SS*.THydrogen-bonded Turntrans-92.9-9.5-179.6-67.6-175.411.800114.3
501T41.4Very low39.9Very low116 Ų116105.7 Ų105.771%0.71256%0.559SS**THydrogen-bonded Turntrans-98.723.8174.562.50000113.2
502S33.6Very low39.7Very low77 Ų77107.8 Ų107.854%0.53857%0.571SS.*  trans-143.642.9-175.1171.30000110.9
503R32.2Very low39.5Very low305 Ų305113.6 Ų113.6100%1.15158%0.582SS**  trans-147.80157.7-77.8-169.3177.2-177.7-0.8106.8

Retrieved 503 of 503 residues in 121.5 ms (Link to these results)

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