X6RH80_HUMAN Loading...

PHD finger protein 11

AlphaFold DB , UniProt , Accession X6RH80, Species HUMAN (Homo sapiens, Human), Gene PHF11, Length 168 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
1M46.2Very low72.8Confident250 Ų25089.5 Ų89.5100%1.23245%0.446SS*.  0112.90-127.5161.7-179.300107K3M1-K3 PolarHBondContact O-N 3.42Å
2E53.7Low71.9Confident144 Ų14489.1 Ų89.167%0.67345%0.447SS*.  trans-70.4125.5-179.1-162.7171.8-153.100109.1R4E2-R4 PolarHBondContact O-N 2.87Å; E2-R4 VanDerWaalsContact O-N 3.09Å; E2-R4 IonicContact OE2-NE 2.88Å; E2-R4 IonicContact OE2-NH2 2.72Å
3K54.8Low71.2Confident155 Ų15585.6 Ų85.667%0.67443%0.433SS*.  trans-72.6104.3-180-174.1-179.1174.2-166.90108.5M1 D12M1-K3 PolarHBondContact O-N 3.42Å; K3-D12 WeakPolarHBondContact CE-OD2 3.2Å; K3-D12 IonicContact NZ-OD2 2.78Å; K3-D12 PolarHBondContact NZ-OD2 3.04Å
4R71.6Confident70.2Confident104 Ų10493.6 Ų93.639%0.39247%0.468SS..PPolyproline II helixtrans-95.9128.8179.4-65.6179.4-176.3156.70110.5E2 F20 A27E2-R4 PolarHBondContact O-N 2.87Å; E2-R4 VanDerWaalsContact O-N 3.09Å; E2-R4 IonicContact OE2-NE 2.88Å; E2-R4 IonicContact OE2-NH2 2.72Å; R4-F20 VanDerWaalsContact CZ-CE1 3.41Å; R4-A27 HydrophobicContact CB-CB 3.91Å
5T80Confident69.6Low79 Ų7995.7 Ų95.749%0.48547%0.469SS..PPolyproline II helixtrans-99.7138.1-177.263.60000110.1A7 D12T5-A7 PolarHBondContact O-N 3.17Å; T5-D12 WeakPolarHBondContact CB-OD1 3.36Å; T5-D12 WeakPolarHBondContact CG2-OD1 3.26Å
6C87.3Confident68.8Low7 Ų798 Ų985%0.04749%0.485CS..PPolyproline II helixtrans-64.2123.3176.8174.70000111.5L8 C9 A27 H29C6-L8 PolarHBondContact O-N 3.11Å; C6-L8 VanDerWaalsContact O-N 3.13Å; C6-C9 HydrophobicContact CB-CB 4.13Å; C6-C9 PolarHBondContact O-N 3.22Å; C6-A27 CarbonylContact C-O 3.49Å; C6-A27 WeakPolarHBondContact CA-O 3.46Å; C6-H29 VanDerWaalsContact CB-ND1 3.3Å; C6-H29 WeakPolarHBondContact CB-ND1 3.37Å; C6-H29 PolarHBondContact SG-N 2.74Å; C6-H29 VanDerWaalsContact SG-N 3.35Å; C6-H29 PolarHBondContact SG-ND1 3.16Å; C6-H29 VanDerWaalsContact SG-ND1 3.38Å
7A88.6Confident68.5Low48 Ų4895.5 Ų95.540%0.39748%0.476SS..THydrogen-bonded Turntrans-64.5-17.3-179.100000114.3T5 A27 I63T5-A7 PolarHBondContact O-N 3.17Å; A7-A27 PolarHBondContact N-O 2.99Å; A7-I63 HydrophobicContact CB-CD1 3.75Å; A7-I63 HydrophobicContact CB-CG1 4.15Å
8L88.1Confident68.5Low5 Ų596.3 Ų96.33%0.02648%0.481CS..THydrogen-bonded Turntrans-102.8-14.8-177.8-64.2177.9000113.2C6 C32 L33 I63 T80 H93C6-L8 PolarHBondContact O-N 3.11Å; C6-L8 VanDerWaalsContact O-N 3.13Å; L8-C32 HydrophobicContact CB-CB 3.97Å; L8-C32 HydrophobicContact CD1-CB 3.88Å; L8-C32 WeakPolarHBondContact CD1-O 3.26Å; L8-L33 HydrophobicContact CD1-CD2 3.8Å; L8-I63 HydrophobicContact CD2-CB 4.49Å; L8-I63 HydrophobicContact CD2-CG1 3.81Å; L8-I63 HydrophobicContact CG-CG1 4.34Å; L8-T80 HydrophobicContact CD2-CG2 3.62Å; L8-H93 PolarHBondContact O-CD2 3.17Å
9C84.8Confident68.9Low19 Ų1992.6 Ų92.613%0.12846%0.461CS..  trans-110.1140.7-177.4-87.90000112.3C6 K11 C32C6-C9 HydrophobicContact CB-CB 4.13Å; C6-C9 PolarHBondContact O-N 3.22Å; C9-K11 PolarHBondContact O-N 3.29Å; C9-C32 PolarHBondContact SG-SG 2.84Å
10P77Confident69.4Low48 Ų4891.1 Ų91.131%0.31245%0.452SS..SBendtrans-83.46.4179.535.6-37.6000113.2K76 H93P10-K76 HydrophobicContact CB-CB 4.33Å; P10-K76 HydrophobicContact CB-CD 3.68Å; P10-K76 HydrophobicContact CG-CD 4.38Å; P10-H93 WeakPolarHBondContact CD-ND1 3.34Å
11K69.2Low69.9Low125 Ų12587.1 Ų87.154%0.54343%0.433SS..SBendtrans-133.5137.8-177.6-70.4-165.4-178.8-152.10108.5C9 V13C9-K11 PolarHBondContact O-N 3.29Å; K11-V13 HydrophobicContact CB-CG2 3.55Å; K11-V13 WeakPolarHBondContact O-CG2 3.09Å; K11-V13 PolarHBondContact O-N 2.99Å
12D61.6Low71.2Confident85 Ų8583 Ų8346%0.45541%0.411SS..  trans-70.961.4160.9-65.2-20.3000108.9K3 T5 E14K3-D12 WeakPolarHBondContact CE-OD2 3.2Å; K3-D12 IonicContact NZ-OD2 2.78Å; K3-D12 PolarHBondContact NZ-OD2 3.04Å; T5-D12 WeakPolarHBondContact CB-OD1 3.36Å; T5-D12 WeakPolarHBondContact CG2-OD1 3.26Å; D12-E14 PolarHBondContact O-N 2.57Å
13V62.5Low72.3Confident44 Ų4480.8 Ų80.827%0.26741%0.412SS..  trans-71.2126.2172-135.30000106.5K11 Y15 H29 F95K11-V13 HydrophobicContact CB-CG2 3.55Å; K11-V13 WeakPolarHBondContact O-CG2 3.09Å; K11-V13 PolarHBondContact O-N 2.99Å; V13-Y15 HydrophobicContact CB-CD2 3.54Å; V13-Y15 HydrophobicContact CB-CE2 3.72Å; V13-Y15 HydrophobicContact CG1-CD2 3.67Å; V13-Y15 HydrophobicContact CG1-CE2 3.3Å; V13-Y15 HydrophobicContact CG2-CD2 4.33Å; V13-Y15 HydrophobicContact CG2-CE2 4.42Å; V13-Y15 PolarHBondContact O-N 2.76Å; V13-H29 PolarHBondContact O-NE2 2.87Å; V13-F95 HydrophobicContact CG2-CD2 4.27Å
14E57Low73.3Confident197 Ų19777.5 Ų77.592%0.92140%0.399SS*.  trans-68.562.3175.1-64.1-180-178.600110.5D12D12-E14 PolarHBondContact O-N 2.57Å
15Y61.4Low73.8Confident125 Ų12578.1 Ų78.149%0.4941%0.41SS..SBendtrans-105.7148.1162.2-64-68.1000107.5V13 V17 H29 F95V13-Y15 HydrophobicContact CB-CD2 3.54Å; V13-Y15 HydrophobicContact CB-CE2 3.72Å; V13-Y15 HydrophobicContact CG1-CD2 3.67Å; V13-Y15 HydrophobicContact CG1-CE2 3.3Å; V13-Y15 HydrophobicContact CG2-CD2 4.33Å; V13-Y15 HydrophobicContact CG2-CE2 4.42Å; V13-Y15 PolarHBondContact O-N 2.76Å; Y15-V17 PolarHBondContact O-N 2.91Å; Y15-H29 PolarHBondContact O-CD2 3.43Å; Y15-H29 PolarHBondContact O-NE2 3.46Å; Y15-F95 HydrophobicContact CD1-CE1 4.24Å; Y15-F95 HydrophobicContact CD1-CZ 4.34Å; Y15-F95 AromaticContact CD2-CD1 3.89Å; Y15-F95 HydrophobicContact CD2-CD1 3.89Å; Y15-F95 HydrophobicContact CD2-CD2 4.06Å; Y15-F95 AromaticContact CD2-CE1 3.29Å; Y15-F95 HydrophobicContact CD2-CE1 3.29Å; Y15-F95 AromaticContact CD2-CE2 3.49Å; Y15-F95 HydrophobicContact CD2-CE2 3.49Å; Y15-F95 VanDerWaalsContact CD2-CE2 3.49Å; Y15-F95 HydrophobicContact CD2-CG 4.24Å; Y15-F95 AromaticContact CD2-CZ 3.07Å; Y15-F95 HydrophobicContact CD2-CZ 3.07Å; Y15-F95 HydrophobicContact CE1-CE1 4.2Å; Y15-F95 AromaticContact CE2-CD1 3.44Å; Y15-F95 HydrophobicContact CE2-CD1 3.44Å; Y15-F95 VanDerWaalsContact CE2-CD1 3.44Å; Y15-F95 HydrophobicContact CE2-CD2 4.18Å; Y15-F95 AromaticContact CE2-CE1 3.25Å; Y15-F95 HydrophobicContact CE2-CE1 3.25Å; Y15-F95 HydrophobicContact CE2-CE2 4.03Å; Y15-F95 AromaticContact CE2-CG 3.92Å; Y15-F95 HydrophobicContact CE2-CG 3.92Å; Y15-F95 AromaticContact CE2-CZ 3.58Å; Y15-F95 HydrophobicContact CE2-CZ 3.58Å; Y15-F95 AromaticContact CG-CE1 3.83Å; Y15-F95 HydrophobicContact CG-CE1 3.83Å; Y15-F95 HydrophobicContact CG-CE2 4.28Å; Y15-F95 AromaticContact CG-CZ 3.54Å; Y15-F95 HydrophobicContact CG-CZ 3.54Å; Y15-F95 AromaticContact CZ-CE1 3.76Å
16N56.6Low74Confident133 Ų13375.3 Ų75.371%0.71139%0.391SS*.  trans-55.1116-179.1-64.4-41.5000110.3L18N16-L18 HydrophobicContact CB-CD1 4.42Å; N16-L18 HydrophobicContact CB-CD2 4.03Å; N16-L18 HydrophobicContact CB-CG 4Å; N16-L18 PolarHBondContact O-N 2.76Å
17V63.5Low74Confident55 Ų5575.2 Ų75.233%0.33339%0.391SS..EExtended strand (participates in β ladder)trans-79105.7168.6176.60000105.7Y15 A27Y15-V17 PolarHBondContact O-N 2.91Å; V17-A27 HydrophobicContact CG1-CB 3.78Å
18L68.9Low74Confident110 Ų11072.9 Ų72.958%0.57637%0.372SS*.EExtended strand (participates in β ladder)trans-104.1-23.4-172-65.7170.2000112.6N16 E30N16-L18 HydrophobicContact CB-CD1 4.42Å; N16-L18 HydrophobicContact CB-CD2 4.03Å; N16-L18 HydrophobicContact CB-CG 4Å; N16-L18 PolarHBondContact O-N 2.76Å; L18-E30 HydrophobicContact CB-CB 4.12Å; L18-E30 HydrophobicContact CD1-CB 3.9Å; L18-E30 HydrophobicContact CD1-CG 4.44Å; L18-E30 VanDerWaalsContact CD1-OE2 3.23Å; L18-E30 WeakPolarHBondContact CD1-OE2 3.23Å
19Y76.8Confident74Confident26 Ų2672.9 Ų72.910%0.10237%0.372CS..EExtended strand (participates in β ladder)trans-97.3125.4174.7-178.7-96.1000111.1A21 I26 A27 A28 L33 F54 V56 V59Y19-A21 HydrophobicContact CE1-CB 4.12Å; Y19-I26 HydrophobicContact CE1-CG2 4.45Å; Y19-A27 WeakPolarHBondContact O-CA 3.48Å; Y19-A28 PolarHBondContact N-O 3.04Å; Y19-A28 PolarHBondContact O-N 3.37Å; Y19-A28 VanDerWaalsContact O-N 3.11Å; Y19-L33 HydrophobicContact CD1-CD1 3.65Å; Y19-L33 HydrophobicContact CD2-CD1 3.98Å; Y19-L33 HydrophobicContact CE1-CD1 4.42Å; Y19-L33 HydrophobicContact CG-CD1 3.37Å; Y19-F54 HydrophobicContact CD2-CB 4.29Å; Y19-F54 AromaticContact CD2-CD2 3.83Å; Y19-F54 HydrophobicContact CD2-CD2 3.83Å; Y19-F54 HydrophobicContact CE2-CB 3.75Å; Y19-F54 HydrophobicContact CE2-CD2 4.17Å; Y19-F54 HydrophobicContact CE2-CG 4.46Å; Y19-F54 PolarHBondContact OH-O 3.49Å; Y19-F54 VanDerWaalsContact OH-O 3.1Å; Y19-V56 WeakPolarHBondContact OH-CA 3.24Å; Y19-V56 WeakPolarHBondContact OH-CG2 3.46Å; Y19-V59 HydrophobicContact CE1-CB 4.31Å; Y19-V59 HydrophobicContact CE1-CG1 3.94Å; Y19-V59 HydrophobicContact CE1-CG2 4.03Å
20F78.6Confident74Confident62 Ų6275 Ų7527%0.27238%0.38SS..EExtended strand (participates in β ladder)trans-140.7117.4175.5-178.4-124.9000111.7R4 Q22 I26 A27R4-F20 VanDerWaalsContact CZ-CE1 3.41Å; F20-Q22 HydrophobicContact CD1-CG 3.62Å; F20-Q22 HydrophobicContact CE1-CB 4.09Å; F20-Q22 HydrophobicContact CE1-CG 3.04Å; F20-Q22 HydrophobicContact CZ-CB 4.39Å; F20-Q22 HydrophobicContact CZ-CG 3.73Å; F20-I26 WeakPolarHBondContact CA-O 3.42Å; F20-I26 WeakPolarHBondContact CD2-O 3.3Å; F20-A27 HydrophobicContact CD2-CB 4.3Å
21A80.1Confident74.5Confident8 Ų875.6 Ų75.67%0.06638%0.38CS..EExtended strand (participates in β ladder)trans-100100.6170.400000109Y19 S23 E24 N25 I26 V56Y19-A21 HydrophobicContact CE1-CB 4.12Å; A21-S23 VanDerWaalsContact C-N 3.35Å; A21-S23 PolarHBondContact O-N 2.74Å; A21-E24 HydrophobicContact CB-CB 4.47Å; A21-E24 PolarHBondContact O-N 2.86Å; A21-N25 PolarHBondContact O-N 2.81Å; A21-I26 HydrophobicContact CB-CB 4.44Å; A21-I26 PolarHBondContact N-O 3.28Å; A21-I26 PolarHBondContact O-N 2.97Å; A21-V56 HydrophobicContact CB-CG1 3.91Å; A21-V56 HydrophobicContact CB-CG2 3.91Å
22Q73.5Confident75.5Confident164 Ų16469.7 Ų69.777%0.76636%0.355SS*.G310 helixtrans-56.3-45.5-177.9-83.3-179.424.600113.1F20 E24 N25F20-Q22 HydrophobicContact CD1-CG 3.62Å; F20-Q22 HydrophobicContact CE1-CB 4.09Å; F20-Q22 HydrophobicContact CE1-CG 3.04Å; F20-Q22 HydrophobicContact CZ-CB 4.39Å; F20-Q22 HydrophobicContact CZ-CG 3.73Å; Q22-E24 PolarHBondContact O-N 3.41Å; Q22-E24 VanDerWaalsContact O-N 3.1Å; Q22-N25 PolarHBondContact O-N 3.43Å
23S76.5Confident76.9Confident97 Ų9765.7 Ų65.768%0.67833%0.334SS*.G310 helixtrans-59.1-23.6-17846.40000113.6A21A21-S23 VanDerWaalsContact C-N 3.35Å; A21-S23 PolarHBondContact O-N 2.74Å
24E76.2Confident78.1Confident86 Ų8664.2 Ų64.240%0.40232%0.324SS..G310 helixtrans-121.6-0.7-170.5-62.4-65.617300113A21 Q22 I26 V56 K60A21-E24 HydrophobicContact CB-CB 4.47Å; A21-E24 PolarHBondContact O-N 2.86Å; Q22-E24 PolarHBondContact O-N 3.41Å; Q22-E24 VanDerWaalsContact O-N 3.1Å; E24-I26 HydrophobicContact CB-CD1 3.82Å; E24-I26 HydrophobicContact CB-CG1 3.92Å; E24-I26 PolarHBondContact O-N 3.37Å; E24-V56 HydrophobicContact CB-CG1 4.27Å; E24-V56 HydrophobicContact CG-CG1 3.7Å; E24-K60 VanDerWaalsContact CG-CE 3.4Å; E24-K60 IonicContact OE1-NZ 3.4Å; E24-K60 PolarHBondContact OE1-NZ 2.83Å; E24-K60 WeakPolarHBondContact OE2-CE 3.33Å; E24-K60 IonicContact OE2-NZ 3.43Å; E24-K60 PolarHBondContact OE2-NZ 3.1Å
25N82Confident79.8Confident117 Ų11755.8 Ų55.863%0.62628%0.284SS*.THydrogen-bonded Turntrans50.141.5-174.4-163.914.4000112.8A21 Q22A21-N25 PolarHBondContact O-N 2.81Å; Q22-N25 PolarHBondContact O-N 3.43Å
26I84.8Confident81.3Confident20 Ų2050 Ų5010%0.10326%0.262CS..EExtended strand (participates in β ladder)trans-103.1127.5178.4-63172.9000108.7Y19 F20 A21 E24 V59 K60 I63Y19-I26 HydrophobicContact CE1-CG2 4.45Å; F20-I26 WeakPolarHBondContact CA-O 3.42Å; F20-I26 WeakPolarHBondContact CD2-O 3.3Å; A21-I26 HydrophobicContact CB-CB 4.44Å; A21-I26 PolarHBondContact N-O 3.28Å; A21-I26 PolarHBondContact O-N 2.97Å; E24-I26 HydrophobicContact CB-CD1 3.82Å; E24-I26 HydrophobicContact CB-CG1 3.92Å; E24-I26 PolarHBondContact O-N 3.37Å; I26-V59 HydrophobicContact CG2-CG1 4.11Å; I26-K60 HydrophobicContact CD1-CG 3.54Å; I26-I63 HydrophobicContact CD1-CD1 4.26Å; I26-I63 HydrophobicContact CG2-CD1 3.59Å
27A87.4Confident82.7Confident5 Ų547.2 Ų47.24%0.04125%0.253CS..EExtended strand (participates in β ladder)trans-125.713717300000109.7R4 C6 A7 V17 Y19 F20R4-A27 HydrophobicContact CB-CB 3.91Å; C6-A27 CarbonylContact C-O 3.49Å; C6-A27 WeakPolarHBondContact CA-O 3.46Å; A7-A27 PolarHBondContact N-O 2.99Å; V17-A27 HydrophobicContact CG1-CB 3.78Å; Y19-A27 WeakPolarHBondContact O-CA 3.48Å; F20-A27 HydrophobicContact CD2-CB 4.3Å
28A87.3Confident83.5Confident0 Ų046.3 Ų46.30%026%0.255CS..EExtended strand (participates in β ladder)trans-147.5149.5176.200000111.5Y19 L33Y19-A28 PolarHBondContact N-O 3.04Å; Y19-A28 PolarHBondContact O-N 3.37Å; Y19-A28 VanDerWaalsContact O-N 3.11Å; A28-L33 HydrophobicContact CB-CD1 3.98Å; A28-L33 HydrophobicContact CB-CD2 3.99Å; A28-L33 HydrophobicContact CB-CG 3.85Å
29H87.9Confident84.1Confident5 Ų542 Ų422%0.02323%0.232CC..EExtended strand (participates in β ladder)trans-66.8139.7168.8-61.9119.9000109.5C6 V13 Y15 N31 C32 L33 F95C6-H29 VanDerWaalsContact CB-ND1 3.3Å; C6-H29 WeakPolarHBondContact CB-ND1 3.37Å; C6-H29 PolarHBondContact SG-N 2.74Å; C6-H29 VanDerWaalsContact SG-N 3.35Å; C6-H29 PolarHBondContact SG-ND1 3.16Å; C6-H29 VanDerWaalsContact SG-ND1 3.38Å; V13-H29 PolarHBondContact O-NE2 2.87Å; Y15-H29 PolarHBondContact O-CD2 3.43Å; Y15-H29 PolarHBondContact O-NE2 3.46Å; H29-N31 PolarHBondContact O-N 3.26Å; H29-C32 HydrophobicContact CB-CB 4.19Å; H29-C32 WeakPolarHBondContact O-CA 3.39Å; H29-C32 WeakPolarHBondContact O-CB 3.44Å; H29-C32 PolarHBondContact O-N 2.94Å; H29-L33 PolarHBondContact O-N 3.34Å; H29-F95 AromaticContact ND1-CE2 3.8Å
30E85.1Confident83.6Confident64 Ų6446.2 Ų46.230%0.29926%0.261SS..Hα-helixtrans-52.8-52.1179-167.6-169.8-174.800111.7L18 C32 L33 L34L18-E30 HydrophobicContact CB-CB 4.12Å; L18-E30 HydrophobicContact CD1-CB 3.9Å; L18-E30 HydrophobicContact CD1-CG 4.44Å; L18-E30 VanDerWaalsContact CD1-OE2 3.23Å; L18-E30 WeakPolarHBondContact CD1-OE2 3.23Å; E30-C32 PolarHBondContact O-N 2.76Å; E30-C32 VanDerWaalsContact O-N 3.1Å; E30-L33 WeakPolarHBondContact O-CA 3.27Å; E30-L33 PolarHBondContact O-N 3.05Å; E30-L34 HydrophobicContact CG-CD1 3.67Å; E30-L34 HydrophobicContact CG-CG 4.04Å; E30-L34 WeakPolarHBondContact O-CG 3.35Å; E30-L34 PolarHBondContact O-N 3.32Å
31N88.4Confident82.8Confident59 Ų5945.3 Ų45.332%0.31626%0.257SS..Hα-helixtrans-59.7-26177.8-71-49.5000113.8H29 Y35 F94H29-N31 PolarHBondContact O-N 3.26Å; N31-Y35 HydrophobicContact CB-CD2 4.47Å; N31-Y35 WeakPolarHBondContact O-CD2 3.4Å; N31-Y35 PolarHBondContact O-N 3.46Å; N31-F94 HydrophobicContact CB-CD1 3.53Å; N31-F94 HydrophobicContact CB-CD2 4.12Å; N31-F94 HydrophobicContact CB-CE1 3.45Å; N31-F94 VanDerWaalsContact CB-CE1 3.45Å; N31-F94 HydrophobicContact CB-CE2 4.06Å; N31-F94 HydrophobicContact CB-CG 3.86Å; N31-F94 HydrophobicContact CB-CZ 3.72Å
32C90.3Very high81.5Confident2 Ų248.8 Ų48.81%0.01428%0.28CS..Hα-helixtrans-74.1-30.7175.8-66.80000112L8 C9 H29 E30 S36L8-C32 HydrophobicContact CB-CB 3.97Å; L8-C32 HydrophobicContact CD1-CB 3.88Å; L8-C32 WeakPolarHBondContact CD1-O 3.26Å; C9-C32 PolarHBondContact SG-SG 2.84Å; H29-C32 HydrophobicContact CB-CB 4.19Å; H29-C32 WeakPolarHBondContact O-CA 3.39Å; H29-C32 WeakPolarHBondContact O-CB 3.44Å; H29-C32 PolarHBondContact O-N 2.94Å; E30-C32 PolarHBondContact O-N 2.76Å; E30-C32 VanDerWaalsContact O-N 3.1Å; C32-S36 WeakPolarHBondContact O-CB 3.47Å
33L89.3Confident80.5Confident1 Ų149.8 Ų49.81%0.00529%0.285CS..Hα-helixtrans-81.1-49.8174.9-64.2175.4000111.3L8 Y19 A28 H29 E30 Y35 S36 L39 F54 V59L8-L33 HydrophobicContact CD1-CD2 3.8Å; Y19-L33 HydrophobicContact CD1-CD1 3.65Å; Y19-L33 HydrophobicContact CD2-CD1 3.98Å; Y19-L33 HydrophobicContact CE1-CD1 4.42Å; Y19-L33 HydrophobicContact CG-CD1 3.37Å; A28-L33 HydrophobicContact CB-CD1 3.98Å; A28-L33 HydrophobicContact CB-CD2 3.99Å; A28-L33 HydrophobicContact CB-CG 3.85Å; H29-L33 PolarHBondContact O-N 3.34Å; E30-L33 WeakPolarHBondContact O-CA 3.27Å; E30-L33 PolarHBondContact O-N 3.05Å; L33-Y35 VanDerWaalsContact C-N 3.33Å; L33-Y35 PolarHBondContact O-N 2.87Å; L33-S36 WeakPolarHBondContact O-CB 3.5Å; L33-S36 PolarHBondContact O-N 3.14Å; L33-L39 HydrophobicContact CB-CD1 3.9Å; L33-L39 HydrophobicContact CD2-CD1 3.54Å; L33-L39 HydrophobicContact CG-CD1 4.32Å; L33-F54 HydrophobicContact CB-CD1 4.41Å; L33-F54 HydrophobicContact CB-CD2 4.23Å; L33-F54 HydrophobicContact CB-CE1 3.94Å; L33-F54 HydrophobicContact CB-CE2 3.73Å; L33-F54 HydrophobicContact CB-CZ 3.57Å; L33-F54 HydrophobicContact CD1-CD2 3.66Å; L33-F54 HydrophobicContact CD1-CE2 3.8Å; L33-F54 HydrophobicContact CD1-CG 4.23Å; L33-F54 HydrophobicContact CD1-CZ 4.47Å; L33-F54 HydrophobicContact CG-CE2 4.44Å; L33-V59 HydrophobicContact CD2-CG1 3.88Å; L33-V59 HydrophobicContact CD2-CG2 4.11Å
34L88.8Confident79.3Confident13 Ų1352.4 Ų52.47%0.06829%0.291CS..Hα-helixtrans-54.6-46.4-178.1-71174.6000112.4E30 S36 E41 F54 Y113E30-L34 HydrophobicContact CG-CD1 3.67Å; E30-L34 HydrophobicContact CG-CG 4.04Å; E30-L34 WeakPolarHBondContact O-CG 3.35Å; E30-L34 PolarHBondContact O-N 3.32Å; L34-S36 VanDerWaalsContact C-N 3.27Å; L34-S36 PolarHBondContact O-N 3.15Å; L34-E41 WeakPolarHBondContact CD2-OE1 3.25Å; L34-F54 HydrophobicContact CD2-CZ 3.76Å; L34-F54 HydrophobicContact CG-CZ 4.16Å; L34-Y113 HydrophobicContact CB-CD1 4.01Å; L34-Y113 HydrophobicContact CB-CD2 4.23Å; L34-Y113 HydrophobicContact CB-CE1 4.5Å; L34-Y113 HydrophobicContact CB-CG 3.88Å; L34-Y113 HydrophobicContact CD1-CD1 4.28Å; L34-Y113 HydrophobicContact CD1-CE1 3.97Å; L34-Y113 HydrophobicContact CD2-CD2 3.91Å; L34-Y113 HydrophobicContact CD2-CE2 3.79Å; L34-Y113 HydrophobicContact CD2-CG 4.39Å; L34-Y113 WeakPolarHBondContact O-CB 3.18Å
35Y91.9Very high78.2Confident19 Ų1955.7 Ų55.78%0.07531%0.307CS..THydrogen-bonded Turntrans-87.25.7-178.4-71-92.1000113.5N31 L33 S37 V81 F94 P104 Y113 K114N31-Y35 HydrophobicContact CB-CD2 4.47Å; N31-Y35 WeakPolarHBondContact O-CD2 3.4Å; N31-Y35 PolarHBondContact O-N 3.46Å; L33-Y35 VanDerWaalsContact C-N 3.33Å; L33-Y35 PolarHBondContact O-N 2.87Å; Y35-S37 PolarHBondContact O-N 3.35Å; Y35-V81 WeakPolarHBondContact O-CG1 3.4Å; Y35-F94 HydrophobicContact CD1-CE2 4.28Å; Y35-F94 AromaticContact CD2-CD2 3.66Å; Y35-F94 HydrophobicContact CD2-CD2 3.66Å; Y35-F94 AromaticContact CD2-CE2 3.32Å; Y35-F94 HydrophobicContact CD2-CE2 3.32Å; Y35-F94 HydrophobicContact CD2-CZ 4.25Å; Y35-F94 HydrophobicContact CE1-CE2 4.41Å; Y35-F94 HydrophobicContact CE2-CD2 4.27Å; Y35-F94 AromaticContact CE2-CE2 3.47Å; Y35-F94 HydrophobicContact CE2-CE2 3.47Å; Y35-F94 VanDerWaalsContact CE2-CE2 3.47Å; Y35-F94 HydrophobicContact CE2-CZ 4.07Å; Y35-F94 AromaticContact CG-CD2 3.83Å; Y35-F94 HydrophobicContact CG-CD2 3.83Å; Y35-F94 AromaticContact CG-CE2 3.75Å; Y35-F94 HydrophobicContact CG-CE2 3.75Å; Y35-P104 HydrophobicContact CD1-CB 4.24Å; Y35-P104 HydrophobicContact CE1-CB 3.46Å; Y35-P104 VanDerWaalsContact CE1-CB 3.46Å; Y35-Y113 HydrophobicContact CD2-CD1 4.41Å; Y35-Y113 HydrophobicContact CE1-CD1 4.4Å; Y35-Y113 AromaticContact CE2-CD1 3.84Å; Y35-Y113 HydrophobicContact CE2-CD1 3.84Å; Y35-Y113 AromaticContact CZ-CD1 3.84Å; Y35-K114 WeakPolarHBondContact CD1-O 3.47Å; Y35-K114 VanDerWaalsContact CE1-O 3.26Å; Y35-K114 WeakPolarHBondContact CE1-O 3.21Å
36S92.6Very high76.7Confident3 Ų353.4 Ų53.42%0.02130%0.295CS..  trans-74.6122-179.2-151.40000110.5C32 L33 L34 G38 L39 E62 T80C32-S36 WeakPolarHBondContact O-CB 3.47Å; L33-S36 WeakPolarHBondContact O-CB 3.5Å; L33-S36 PolarHBondContact O-N 3.14Å; L34-S36 VanDerWaalsContact C-N 3.27Å; L34-S36 PolarHBondContact O-N 3.15Å; S36-G38 PolarHBondContact O-N 2.83Å; S36-L39 PolarHBondContact O-N 3.42Å; S36-L39 VanDerWaalsContact O-N 3.09Å; S36-E62 WeakPolarHBondContact CB-OE1 3.49Å; S36-E62 VanDerWaalsContact OG-CD 3.25Å; S36-E62 WeakPolarHBondContact OG-CG 3.49Å; S36-E62 PolarHBondContact OG-OE1 2.81Å; S36-T80 WeakPolarHBondContact OG-CB 3.14Å; S36-T80 PolarHBondContact OG-OG1 3.29Å
37S87.4Confident75.3Confident75 Ų7558.5 Ų58.552%0.52433%0.329SS..THydrogen-bonded Turntrans-66.6-12.7-169.4-51.60000115.8Y35 T80 G82Y35-S37 PolarHBondContact O-N 3.35Å; S37-T80 PolarHBondContact N-O 2.97Å; S37-G82 WeakPolarHBondContact OG-CA 3.43Å; S37-G82 PolarHBondContact OG-N 2.93Å
38G80.9Confident73.6Confident37 Ų3765.3 Ų65.338%0.38136%0.364SS..THydrogen-bonded Turntrans-106.22.2177.400000114.3S36 E62S36-G38 PolarHBondContact O-N 2.83Å; G38-E62 WeakPolarHBondContact CA-OE1 3.36Å; G38-E62 WeakPolarHBondContact CA-OE2 3.24Å; G38-E62 PolarHBondContact N-OE1 3.36Å
39L81.5Confident71.9Confident19 Ų1970.3 Ų70.310%0.09939%0.39CS..  trans-100.2121.5172.6-65.6175.5000108.6L33 S36 F54 S58 V59 E62L33-L39 HydrophobicContact CB-CD1 3.9Å; L33-L39 HydrophobicContact CD2-CD1 3.54Å; L33-L39 HydrophobicContact CG-CD1 4.32Å; S36-L39 PolarHBondContact O-N 3.42Å; S36-L39 VanDerWaalsContact O-N 3.09Å; L39-F54 HydrophobicContact CD1-CD1 4.28Å; L39-F54 HydrophobicContact CD1-CE1 4.45Å; L39-S58 VanDerWaalsContact CD2-OG 3.25Å; L39-S58 WeakPolarHBondContact CD2-OG 3.49Å; L39-V59 HydrophobicContact CD1-CG2 4.45Å; L39-V59 HydrophobicContact CD2-CG2 4.36Å; L39-E62 HydrophobicContact CD1-CB 4.4Å; L39-E62 HydrophobicContact CD1-CG 4.11Å; L39-E62 HydrophobicContact CD2-CB 3.91Å; L39-E62 HydrophobicContact CD2-CG 4.27Å; L39-E62 HydrophobicContact CG-CB 4.03Å; L39-E62 HydrophobicContact CG-CG 3.82Å
40V65.1Low70.3Confident115 Ų11576.1 Ų76.170%0.69743%0.429SS*.  trans-104.5129.4168.1-1770000105.5C42V40-C42 PolarHBondContact O-N 2.78Å
41E61.7Low69Low42 Ų4279.8 Ų79.820%0.19645%0.45CS..  trans-59.8126.5168.9-66.1-174.1164.200107.3L34 E43 R52 G111 Y113L34-E41 WeakPolarHBondContact CD2-OE1 3.25Å; E41-E43 PolarHBondContact O-N 3.48Å; E41-E43 VanDerWaalsContact O-N 3.17Å; E41-R52 IonicContact OE1-CZ 2.75Å; E41-R52 IonicContact OE1-NE 3.52Å; E41-R52 IonicContact OE1-NH1 3.65Å; E41-R52 PolarHBondContact OE1-NH1 3.29Å; E41-G111 VanDerWaalsContact OE2-CA 3.24Å; E41-G111 WeakPolarHBondContact OE2-CA 3.35Å; E41-Y113 VanDerWaalsContact OE1-CE2 3.26Å; E41-Y113 WeakPolarHBondContact OE1-CE2 3.37Å
42C53.3Low67.8Low81 Ų8181.3 Ų81.355%0.54745%0.452SS..  trans-60.7121.9173.1-68.90000107.9V40 D44V40-C42 PolarHBondContact O-N 2.78Å; C42-D44 PolarHBondContact O-N 3.37Å
43E51.4Low66.8Low186 Ų18686.2 Ų86.287%0.86949%0.486SS*.SBendtrans-68.6-10.4-176.7-69.3173.3152.700113E41 Q45E41-E43 PolarHBondContact O-N 3.48Å; E41-E43 VanDerWaalsContact O-N 3.17Å; E43-Q45 PolarHBondContact O-N 2.75Å
44D52.4Low66.3Low152 Ų15287.1 Ų87.181%0.81349%0.49SS*.  trans-7668.3172.4-56.4-43.3000109.6C42 D46C42-D44 PolarHBondContact O-N 3.37Å; D44-D46 VanDerWaalsContact C-N 3.34Å; D44-D46 PolarHBondContact O-N 3.04Å
45Q52.8Low66Low155 Ų15590.6 Ų90.672%0.72451%0.508SS*.  trans-60.8101.6162.5-70.4-17313.500107.2E43 P47E43-Q45 PolarHBondContact O-N 2.75Å; Q45-P47 WeakPolarHBondContact O-CD 3.19Å
46D51.3Low65.7Low69 Ų6991.7 Ų91.737%0.36952%0.517SS..  trans-59.1115.1163177.15.5000107.3D44 L48 N49D44-D46 VanDerWaalsContact C-N 3.34Å; D44-D46 PolarHBondContact O-N 3.04Å; D46-L48 PolarHBondContact O-N 3.3Å; D46-L48 VanDerWaalsContact OD1-CB 3.32Å; D46-L48 WeakPolarHBondContact OD1-CB 3.02Å; D46-L48 PolarHBondContact OD1-N 3.18Å; D46-N49 HydrophobicContact CB-CB 4.34Å; D46-N49 CarbonylContact O-C 3.57Å; D46-N49 PolarHBondContact O-N 3.04Å; D46-N49 PolarHBondContact OD2-ND2 3.38Å
47P53.9Low65.4Low127 Ų12795.6 Ų95.683%0.82554%0.535SS*.THydrogen-bonded Turntrans-58-15.8179.2-21.532.9000113.2Q45Q45-P47 WeakPolarHBondContact O-CD 3.19Å
48L52.1Low65.4Low147 Ų14793.6 Ų93.677%0.7752%0.521SS*.THydrogen-bonded Turntrans-93.4-12.3-179-58.1169.1000113.5D46D46-L48 PolarHBondContact O-N 3.3Å; D46-L48 VanDerWaalsContact OD1-CB 3.32Å; D46-L48 WeakPolarHBondContact OD1-CB 3.02Å; D46-L48 PolarHBondContact OD1-N 3.18Å
49N51Low65.8Low105 Ų10591.9 Ų91.956%0.56150%0.503SS*.  trans-129.987.4178.5-75.1-69.6000110.4D46 D51D46-N49 HydrophobicContact CB-CB 4.34Å; D46-N49 CarbonylContact O-C 3.57Å; D46-N49 PolarHBondContact O-N 3.04Å; D46-N49 PolarHBondContact OD2-ND2 3.38Å; N49-D51 PolarHBondContact O-N 2.82Å; N49-D51 VanDerWaalsContact O-N 3.14Å
50P54.2Low66.2Low127 Ų12793.7 Ų93.783%0.82551%0.51SS*.  trans-71.7-2.7179.429.9-34.9000113.6
51D58.5Low67.5Low141 Ų14194.4 Ų94.475%0.75450%0.504SS*.SBendtrans-81.8120.4179.6-157.518.2000109.8N49 S53N49-D51 PolarHBondContact O-N 2.82Å; N49-D51 VanDerWaalsContact O-N 3.14Å; D51-S53 PolarHBondContact O-N 3.27Å
52R62.6Low69Low92 Ų9292.7 Ų92.735%0.34750%0.496SS..  trans-65.8105.6-176.1-75.3-179.4-178.2174.4-6.9110.4E41 Y113E41-R52 IonicContact OE1-CZ 2.75Å; E41-R52 IonicContact OE1-NE 3.52Å; E41-R52 IonicContact OE1-NH1 3.65Å; E41-R52 PolarHBondContact OE1-NH1 3.29Å; R52-Y113 VanDerWaalsContact CZ-OH 3.23Å; R52-Y113 VanDerWaalsContact NH1-CZ 3.29Å; R52-Y113 PolarHBondContact NH1-OH 3.42Å; R52-Y113 PolarHBondContact NH2-OH 3.4Å
53S70.4Confident70.8Confident104 Ų10489.8 Ų89.873%0.72748%0.475SS*.PPolyproline II helixtrans-93.5123.4174.174.80000111D51D51-S53 PolarHBondContact O-N 3.27Å
54F78.8Confident72.8Confident21 Ų2185.4 Ų85.49%0.09245%0.454CS..PPolyproline II helixtrans-87.3133.3164.7-61.4-88.6000109.8Y19 L33 L34 L39 V56 V59Y19-F54 HydrophobicContact CD2-CB 4.29Å; Y19-F54 AromaticContact CD2-CD2 3.83Å; Y19-F54 HydrophobicContact CD2-CD2 3.83Å; Y19-F54 HydrophobicContact CE2-CB 3.75Å; Y19-F54 HydrophobicContact CE2-CD2 4.17Å; Y19-F54 HydrophobicContact CE2-CG 4.46Å; Y19-F54 PolarHBondContact OH-O 3.49Å; Y19-F54 VanDerWaalsContact OH-O 3.1Å; L33-F54 HydrophobicContact CB-CD1 4.41Å; L33-F54 HydrophobicContact CB-CD2 4.23Å; L33-F54 HydrophobicContact CB-CE1 3.94Å; L33-F54 HydrophobicContact CB-CE2 3.73Å; L33-F54 HydrophobicContact CB-CZ 3.57Å; L33-F54 HydrophobicContact CD1-CD2 3.66Å; L33-F54 HydrophobicContact CD1-CE2 3.8Å; L33-F54 HydrophobicContact CD1-CG 4.23Å; L33-F54 HydrophobicContact CD1-CZ 4.47Å; L33-F54 HydrophobicContact CG-CE2 4.44Å; L34-F54 HydrophobicContact CD2-CZ 3.76Å; L34-F54 HydrophobicContact CG-CZ 4.16Å; L39-F54 HydrophobicContact CD1-CD1 4.28Å; L39-F54 HydrophobicContact CD1-CE1 4.45Å; F54-V56 PolarHBondContact O-N 2.93Å; F54-V59 HydrophobicContact CB-CG2 3.53Å; F54-V59 HydrophobicContact CG-CG2 4.3Å
55D83.3Confident74.8Confident85 Ų8581.8 Ų81.846%0.45543%0.429SS..PPolyproline II helixtrans-56.1123.6169.2170.950.5000110.3E57 S58 V59D55-E57 PolarHBondContact O-N 3.32Å; D55-E57 WeakPolarHBondContact OD2-CB 3.3Å; D55-E57 PolarHBondContact OD2-N 2.91Å; D55-S58 WeakPolarHBondContact O-CB 3.46Å; D55-S58 PolarHBondContact O-N 3.31Å; D55-S58 VanDerWaalsContact O-N 3.15Å; D55-S58 WeakPolarHBondContact OD2-CB 3.33Å; D55-S58 PolarHBondContact OD2-N 2.98Å; D55-V59 WeakPolarHBondContact O-CG2 3.48Å; D55-V59 PolarHBondContact O-N 2.99Å
56V83.9Confident76.8Confident42 Ų4274.4 Ų74.426%0.25540%0.395SS..Hα-helixtrans-60.3-36.8-174.5-178.90000111Y19 A21 E24 F54 V59 K60Y19-V56 WeakPolarHBondContact OH-CA 3.24Å; Y19-V56 WeakPolarHBondContact OH-CG2 3.46Å; A21-V56 HydrophobicContact CB-CG1 3.91Å; A21-V56 HydrophobicContact CB-CG2 3.91Å; E24-V56 HydrophobicContact CB-CG1 4.27Å; E24-V56 HydrophobicContact CG-CG1 3.7Å; F54-V56 PolarHBondContact O-N 2.93Å; V56-V59 PolarHBondContact O-N 3.05Å; V56-K60 WeakPolarHBondContact O-CG 2.86Å; V56-K60 PolarHBondContact O-N 3.36Å
57E86.6Confident78.8Confident85 Ų8578.8 Ų78.840%0.39741%0.406SS..Hα-helixtrans-70.3-39.2179.7-174.258-15400111.6D55 K60 K61D55-E57 PolarHBondContact O-N 3.32Å; D55-E57 WeakPolarHBondContact OD2-CB 3.3Å; D55-E57 PolarHBondContact OD2-N 2.91Å; E57-K60 PolarHBondContact O-N 3.45Å; E57-K60 IonicContact OE2-NZ 2.64Å; E57-K61 HydrophobicContact CG-CD 4.49Å; E57-K61 WeakPolarHBondContact O-CG 3.23Å; E57-K61 PolarHBondContact O-N 3.43Å; E57-K61 WeakPolarHBondContact OE1-CE 3.48Å
58S88Confident80.7Confident34 Ų3480 Ų8024%0.23840%0.398CS..Hα-helixtrans-59.3-46.6170.2-165.20000111.8L39 D55 K60 K61 E62L39-S58 VanDerWaalsContact CD2-OG 3.25Å; L39-S58 WeakPolarHBondContact CD2-OG 3.49Å; D55-S58 WeakPolarHBondContact O-CB 3.46Å; D55-S58 PolarHBondContact O-N 3.31Å; D55-S58 VanDerWaalsContact O-N 3.15Å; D55-S58 WeakPolarHBondContact OD2-CB 3.33Å; D55-S58 PolarHBondContact OD2-N 2.98Å; S58-K60 PolarHBondContact O-N 3.33Å; S58-K61 PolarHBondContact O-N 2.84Å; S58-E62 WeakPolarHBondContact O-CB 3.05Å; S58-E62 PolarHBondContact O-N 3.34Å
59V88.9Confident82.8Confident0 Ų074.7 Ų74.70%037%0.37CS..Hα-helixtrans-60.6-43.4176.5175.70000111.8Y19 I26 L33 L39 F54 D55 V56 E62 I63Y19-V59 HydrophobicContact CE1-CB 4.31Å; Y19-V59 HydrophobicContact CE1-CG1 3.94Å; Y19-V59 HydrophobicContact CE1-CG2 4.03Å; I26-V59 HydrophobicContact CG2-CG1 4.11Å; L33-V59 HydrophobicContact CD2-CG1 3.88Å; L33-V59 HydrophobicContact CD2-CG2 4.11Å; L39-V59 HydrophobicContact CD1-CG2 4.45Å; L39-V59 HydrophobicContact CD2-CG2 4.36Å; F54-V59 HydrophobicContact CB-CG2 3.53Å; F54-V59 HydrophobicContact CG-CG2 4.3Å; D55-V59 WeakPolarHBondContact O-CG2 3.48Å; D55-V59 PolarHBondContact O-N 2.99Å; V56-V59 PolarHBondContact O-N 3.05Å; V59-E62 PolarHBondContact O-N 2.93Å; V59-I63 HydrophobicContact CG1-CD1 3.81Å; V59-I63 HydrophobicContact CG1-CG1 4.42Å; V59-I63 VanDerWaalsContact O-CG1 3.31Å; V59-I63 WeakPolarHBondContact O-CG1 3.36Å; V59-I63 PolarHBondContact O-N 3.27Å
60K90.1Very high84.9Confident58 Ų5875.2 Ų75.225%0.25237%0.368SS..Hα-helixtrans-59.6-49.2175.2-78.9173.4175.4177.70112.5E24 I26 V56 E57 S58 E62 I63 Q64E24-K60 VanDerWaalsContact CG-CE 3.4Å; E24-K60 IonicContact OE1-NZ 3.4Å; E24-K60 PolarHBondContact OE1-NZ 2.83Å; E24-K60 WeakPolarHBondContact OE2-CE 3.33Å; E24-K60 IonicContact OE2-NZ 3.43Å; E24-K60 PolarHBondContact OE2-NZ 3.1Å; I26-K60 HydrophobicContact CD1-CG 3.54Å; V56-K60 WeakPolarHBondContact O-CG 2.86Å; V56-K60 PolarHBondContact O-N 3.36Å; E57-K60 PolarHBondContact O-N 3.45Å; E57-K60 IonicContact OE2-NZ 2.64Å; S58-K60 PolarHBondContact O-N 3.33Å; K60-E62 PolarHBondContact O-N 3Å; K60-I63 PolarHBondContact O-N 3.45Å; K60-Q64 WeakPolarHBondContact O-CB 3.45Å; K60-Q64 PolarHBondContact O-N 3.41Å
61K92Very high87Confident129 Ų12969.2 Ų69.256%0.56133%0.329SS*.Hα-helixtrans-57.8-40.1177.5-74.8168.9-177.3163.90110.5E57 S58 Q64 R65E57-K61 HydrophobicContact CG-CD 4.49Å; E57-K61 WeakPolarHBondContact O-CG 3.23Å; E57-K61 PolarHBondContact O-N 3.43Å; E57-K61 WeakPolarHBondContact OE1-CE 3.48Å; S58-K61 PolarHBondContact O-N 2.84Å; K61-Q64 PolarHBondContact O-N 2.96Å; K61-R65 WeakPolarHBondContact O-CB 3.17Å; K61-R65 PolarHBondContact O-N 3.26Å
62E93.6Very high88.7Confident7 Ų767.8 Ų67.83%0.03332%0.316CS..Hα-helixtrans-69.2-41.7179.4-169.872.1166.800113.1S36 G38 L39 S58 V59 K60 Q64 R65 G66 T80S36-E62 WeakPolarHBondContact CB-OE1 3.49Å; S36-E62 VanDerWaalsContact OG-CD 3.25Å; S36-E62 WeakPolarHBondContact OG-CG 3.49Å; S36-E62 PolarHBondContact OG-OE1 2.81Å; G38-E62 WeakPolarHBondContact CA-OE1 3.36Å; G38-E62 WeakPolarHBondContact CA-OE2 3.24Å; G38-E62 PolarHBondContact N-OE1 3.36Å; L39-E62 HydrophobicContact CD1-CB 4.4Å; L39-E62 HydrophobicContact CD1-CG 4.11Å; L39-E62 HydrophobicContact CD2-CB 3.91Å; L39-E62 HydrophobicContact CD2-CG 4.27Å; L39-E62 HydrophobicContact CG-CB 4.03Å; L39-E62 HydrophobicContact CG-CG 3.82Å; S58-E62 WeakPolarHBondContact O-CB 3.05Å; S58-E62 PolarHBondContact O-N 3.34Å; V59-E62 PolarHBondContact O-N 2.93Å; K60-E62 PolarHBondContact O-N 3Å; E62-Q64 VanDerWaalsContact C-N 3.31Å; E62-Q64 PolarHBondContact O-N 3.43Å; E62-R65 WeakPolarHBondContact O-CB 3.44Å; E62-R65 PolarHBondContact O-N 2.94Å; E62-R65 IonicContact OE1-CZ 3.75Å; E62-R65 IonicContact OE1-NE 3.94Å; E62-R65 PolarHBondContact OE1-NE 2.75Å; E62-R65 IonicContact OE1-NH2 2.72Å; E62-R65 PolarHBondContact OE1-NH2 2.81Å; E62-R65 IonicContact OE2-CZ 3.45Å; E62-R65 IonicContact OE2-NE 3.94Å; E62-R65 PolarHBondContact OE2-NE 3.46Å; E62-R65 IonicContact OE2-NH2 3.45Å; E62-G66 PolarHBondContact O-N 3.33Å; E62-T80 HydrophobicContact CG-CG2 4.24Å
63I91.9Very high90.3Very high20 Ų2067.5 Ų67.510%0.10332%0.317CS..Hα-helixtrans-60.1-44.6172-69.4163.6000110A7 L8 I26 V59 K60 R65 G66 R67A7-I63 HydrophobicContact CB-CD1 3.75Å; A7-I63 HydrophobicContact CB-CG1 4.15Å; L8-I63 HydrophobicContact CD2-CB 4.49Å; L8-I63 HydrophobicContact CD2-CG1 3.81Å; L8-I63 HydrophobicContact CG-CG1 4.34Å; I26-I63 HydrophobicContact CD1-CD1 4.26Å; I26-I63 HydrophobicContact CG2-CD1 3.59Å; V59-I63 HydrophobicContact CG1-CD1 3.81Å; V59-I63 HydrophobicContact CG1-CG1 4.42Å; V59-I63 VanDerWaalsContact O-CG1 3.31Å; V59-I63 WeakPolarHBondContact O-CG1 3.36Å; V59-I63 PolarHBondContact O-N 3.27Å; K60-I63 PolarHBondContact O-N 3.45Å; I63-R65 VanDerWaalsContact C-N 3.32Å; I63-R65 PolarHBondContact O-N 3.49Å; I63-G66 WeakPolarHBondContact O-CA 3.46Å; I63-G66 PolarHBondContact O-N 3.45Å; I63-G66 VanDerWaalsContact O-N 3.13Å; I63-R67 PolarHBondContact O-N 3.35Å
64Q93.1Very high91.4Very high93 Ų9364.4 Ų64.444%0.43530%0.295SS..Hα-helixtrans-64.1-37.1177.8-174.264.28.400111.9K60 K61 E62K60-Q64 WeakPolarHBondContact O-CB 3.45Å; K60-Q64 PolarHBondContact O-N 3.41Å; K61-Q64 PolarHBondContact O-N 2.96Å; E62-Q64 VanDerWaalsContact C-N 3.31Å; E62-Q64 PolarHBondContact O-N 3.43Å
65R95Very high92.2Very high77 Ų7768.7 Ų68.729%0.29132%0.315SS..Hα-helixtrans-62.6-47.2170.2-172.2-174.871.191.57110.6K61 E62 I63 R67 K68 L69 T80K61-R65 WeakPolarHBondContact O-CB 3.17Å; K61-R65 PolarHBondContact O-N 3.26Å; E62-R65 WeakPolarHBondContact O-CB 3.44Å; E62-R65 PolarHBondContact O-N 2.94Å; E62-R65 IonicContact OE1-CZ 3.75Å; E62-R65 IonicContact OE1-NE 3.94Å; E62-R65 PolarHBondContact OE1-NE 2.75Å; E62-R65 IonicContact OE1-NH2 2.72Å; E62-R65 PolarHBondContact OE1-NH2 2.81Å; E62-R65 IonicContact OE2-CZ 3.45Å; E62-R65 IonicContact OE2-NE 3.94Å; E62-R65 PolarHBondContact OE2-NE 3.46Å; E62-R65 IonicContact OE2-NH2 3.45Å; I63-R65 VanDerWaalsContact C-N 3.32Å; I63-R65 PolarHBondContact O-N 3.49Å; R65-R67 VanDerWaalsContact C-N 3.27Å; R65-R67 PolarHBondContact O-N 2.84Å; R65-K68 WeakPolarHBondContact O-CB 3.26Å; R65-K68 PolarHBondContact O-N 3.12Å; R65-L69 HydrophobicContact CG-CD1 4.19Å; R65-T80 PolarHBondContact NH2-O 2.98Å
66G94Very high92.7Very high0 Ų070.5 Ų70.50%032%0.319CS..Hα-helixtrans-54.7-37.917900000113.7E62 I63 K68 L69 G78E62-G66 PolarHBondContact O-N 3.33Å; I63-G66 WeakPolarHBondContact O-CA 3.46Å; I63-G66 PolarHBondContact O-N 3.45Å; I63-G66 VanDerWaalsContact O-N 3.13Å; G66-K68 PolarHBondContact O-N 3.16Å; G66-K68 VanDerWaalsContact O-N 3.11Å; G66-L69 PolarHBondContact O-N 3.02Å; G66-G78 WeakPolarHBondContact O-CA 3.09Å; G66-G78 PolarHBondContact O-N 3.27Å
67R93.1Very high93.2Very high160 Ų16075.7 Ų75.760%0.60433%0.334SS*.THydrogen-bonded Turntrans-56.4-27.9175.3-70.2173.7178.8178.7-7.2113.2I63 R65 R77I63-R67 PolarHBondContact O-N 3.35Å; R65-R67 VanDerWaalsContact C-N 3.27Å; R65-R67 PolarHBondContact O-N 2.84Å; R67-R77 VanDerWaalsContact O-CD 3.31Å; R67-R77 WeakPolarHBondContact O-CD 3.2Å
68K94.5Very high93.5Very high153 Ų15372.1 Ų72.167%0.66532%0.32SS*.THydrogen-bonded Turntrans-88.1-12.9178.2-57.5176.8-176176.60113.1R65 G66 R77R65-K68 WeakPolarHBondContact O-CB 3.26Å; R65-K68 PolarHBondContact O-N 3.12Å; G66-K68 PolarHBondContact O-N 3.16Å; G66-K68 VanDerWaalsContact O-N 3.11Å; K68-R77 PolarHBondContact O-NH1 3.11Å
69L95.3Very high93.9Very high35 Ų3570.5 Ų70.518%0.18331%0.309CS..  trans-101.2136.9-174.7-60.2172.4000111.3R65 G66 R77 G78 A79 N91R65-L69 HydrophobicContact CG-CD1 4.19Å; G66-L69 PolarHBondContact O-N 3.02Å; L69-R77 CarbonylContact O-C 3.6Å; L69-R77 VanDerWaalsContact O-CA 3.23Å; L69-R77 WeakPolarHBondContact O-CA 3.35Å; L69-R77 WeakPolarHBondContact O-CD 3.23Å; L69-G78 PolarHBondContact O-N 2.86Å; L69-A79 VanDerWaalsContact CB-O 3.28Å; L69-A79 WeakPolarHBondContact CB-O 3.13Å; L69-A79 WeakPolarHBondContact CD1-O 3.06Å; L69-N91 HydrophobicContact CB-CB 4.48Å
70K96.2Very high94.2Very high116 Ų11670.6 Ų70.650%0.50431%0.31SS..BIsolated β-bridgetrans-106.8130.1-178.4-167.2179.2-177.2-175.90109.5K72 H75K70-K72 PolarHBondContact O-N 3.47Å; K70-H75 WeakPolarHBondContact CE-O 3.35Å; K70-H75 WeakPolarHBondContact CG-O 3.44Å
71C96.6Very high94.4Very high1 Ų167.9 Ų67.91%0.00730%0.298CS..  trans-63132.8176.3-173.50000110.6F73 C74 H75 K76 A79 N91C71-F73 VanDerWaalsContact C-N 3.32Å; C71-F73 PolarHBondContact SG-N 2.85Å; C71-C74 WeakPolarHBondContact CB-SG 3.24Å; C71-C74 PolarHBondContact SG-N 3.31Å; C71-C74 VanDerWaalsContact SG-N 3.43Å; C71-C74 VanDerWaalsContact SG-SG 3.65Å; C71-H75 WeakPolarHBondContact O-CA 3.16Å; C71-H75 PolarHBondContact O-N 3.28Å; C71-H75 PolarHBondContact O-ND1 3.14Å; C71-K76 WeakPolarHBondContact CB-O 3.46Å; C71-K76 PolarHBondContact N-O 3.35Å; C71-A79 VanDerWaalsContact CA-CB 3.47Å; C71-A79 HydrophobicContact CB-CB 3.8Å; C71-N91 CarbonylContact C-O 3.5Å; C71-N91 WeakPolarHBondContact CA-O 3.31Å
72K95.9Very high94.6Very high112 Ų11262.1 Ų62.149%0.48728%0.275SS..THydrogen-bonded Turntrans-68.1-32.8176176.560.7-168.3174.80112.4K70 H75 K90 N91 Y92K70-K72 PolarHBondContact O-N 3.47Å; K72-H75 PolarHBondContact O-CE1 3.13Å; K72-H75 PolarHBondContact O-ND1 3.09Å; K72-K90 HydrophobicContact CG-CG 4.4Å; K72-N91 PolarHBondContact N-O 3.09Å; K72-Y92 HydrophobicContact CB-CD1 4.22Å; K72-Y92 HydrophobicContact CB-CE1 3.65Å; K72-Y92 HydrophobicContact CG-CE1 4.12Å
73F95.1Very high94.7Very high86 Ų8662.4 Ų62.438%0.37728%0.278SS..THydrogen-bonded Turntrans-83.9-61.3-179.7178.7-97.8000112.5C71 Y92 C96 K99 D100C71-F73 VanDerWaalsContact C-N 3.32Å; C71-F73 PolarHBondContact SG-N 2.85Å; F73-Y92 HydrophobicContact CB-CD1 4.34Å; F73-Y92 HydrophobicContact CB-CE1 4.39Å; F73-C96 HydrophobicContact CB-CB 4.01Å; F73-C96 HydrophobicContact CD1-CB 3.88Å; F73-C96 HydrophobicContact CG-CB 4.26Å; F73-K99 HydrophobicContact CD2-CB 4.41Å; F73-K99 HydrophobicContact CE1-CB 4Å; F73-K99 HydrophobicContact CE1-CD 3.92Å; F73-K99 HydrophobicContact CE2-CB 3.87Å; F73-K99 HydrophobicContact CZ-CB 3.66Å; F73-K99 HydrophobicContact CZ-CD 4.07Å; F73-K99 HydrophobicContact CZ-CG 4.5Å; F73-D100 HydrophobicContact CB-CB 4.32Å; F73-D100 HydrophobicContact CD2-CB 3.97Å; F73-D100 HydrophobicContact CG-CB 4.49Å
74C94.6Very high94.7Very high39 Ų3965.1 Ų65.126%0.26429%0.292SS..THydrogen-bonded Turntrans-93.6-4.5-173.577.40000114.6C71 K76 H93C71-C74 WeakPolarHBondContact CB-SG 3.24Å; C71-C74 PolarHBondContact SG-N 3.31Å; C71-C74 VanDerWaalsContact SG-N 3.43Å; C71-C74 VanDerWaalsContact SG-SG 3.65Å; C74-K76 PolarHBondContact O-N 3.26Å; C74-H93 PolarHBondContact SG-CE1 3.1Å; C74-H93 PolarHBondContact SG-ND1 3.01Å
75H94.8Very high94.7Very high110 Ų11064 Ų6451%0.50929%0.289SS..  trans60.610.3179-60.2-36000116.4K70 C71 K72K70-H75 WeakPolarHBondContact CE-O 3.35Å; K70-H75 WeakPolarHBondContact CG-O 3.44Å; C71-H75 WeakPolarHBondContact O-CA 3.16Å; C71-H75 PolarHBondContact O-N 3.28Å; C71-H75 PolarHBondContact O-ND1 3.14Å; K72-H75 PolarHBondContact O-CE1 3.13Å; K72-H75 PolarHBondContact O-ND1 3.09Å
76K94.6Very high94.3Very high124 Ų12469.9 Ų69.954%0.53932%0.317SS..  trans-89.3162.1173.5-62-178.9178.5-171.80111.8P10 C71 C74P10-K76 HydrophobicContact CB-CB 4.33Å; P10-K76 HydrophobicContact CB-CD 3.68Å; P10-K76 HydrophobicContact CG-CD 4.38Å; C71-K76 WeakPolarHBondContact CB-O 3.46Å; C71-K76 PolarHBondContact N-O 3.35Å; C74-K76 PolarHBondContact O-N 3.26Å
77R94.1Very high94.1Very high150 Ų15077.4 Ų77.457%0.56636%0.357SS*.BIsolated β-bridgetrans-75.3169.6175.5-62-63.6-171.7169.31.5111.8R67 K68 L69 H93R67-R77 VanDerWaalsContact O-CD 3.31Å; R67-R77 WeakPolarHBondContact O-CD 3.2Å; K68-R77 PolarHBondContact O-NH1 3.11Å; L69-R77 CarbonylContact O-C 3.6Å; L69-R77 VanDerWaalsContact O-CA 3.23Å; L69-R77 WeakPolarHBondContact O-CA 3.35Å; L69-R77 WeakPolarHBondContact O-CD 3.23Å; R77-H93 PolarHBondContact O-CE1 3Å; R77-H93 PolarHBondContact O-NE2 2.88Å
78G92.8Very high94.1Very high11 Ų1170.8 Ų70.811%0.11334%0.335CS..  trans94.27.9179.400000114.5G66 L69 T80 H93G66-G78 WeakPolarHBondContact O-CA 3.09Å; G66-G78 PolarHBondContact O-N 3.27Å; L69-G78 PolarHBondContact O-N 2.86Å; G78-T80 PolarHBondContact O-N 3.14Å; G78-H93 PolarHBondContact O-CD2 3.25Å
79A95Very high94.1Very high0 Ų070.3 Ų70.30%034%0.34CS..  trans-80.682.8-17400000111.6L69 C71 N91 Y92L69-A79 VanDerWaalsContact CB-O 3.28Å; L69-A79 WeakPolarHBondContact CB-O 3.13Å; L69-A79 WeakPolarHBondContact CD1-O 3.06Å; C71-A79 VanDerWaalsContact CA-CB 3.47Å; C71-A79 HydrophobicContact CB-CB 3.8Å; A79-N91 HydrophobicContact CB-CB 4.12Å; A79-N91 WeakPolarHBondContact O-CB 3.46Å; A79-Y92 CarbonylContact C-O 3.53Å; A79-Y92 VanDerWaalsContact C-O 3.24Å; A79-Y92 VanDerWaalsContact CA-O 3.24Å; A79-Y92 WeakPolarHBondContact CA-O 3.35Å; A79-Y92 VanDerWaalsContact CB-C 3.5Å
80T95.6Very high94.1Very high2 Ų270 Ų701%0.01234%0.337CS..  trans-87.1-14.4-175.356.90000114.5L8 S36 S37 E62 R65 G78 G82 Y92L8-T80 HydrophobicContact CD2-CG2 3.62Å; S36-T80 WeakPolarHBondContact OG-CB 3.14Å; S36-T80 PolarHBondContact OG-OG1 3.29Å; S37-T80 PolarHBondContact N-O 2.97Å; E62-T80 HydrophobicContact CG-CG2 4.24Å; R65-T80 PolarHBondContact NH2-O 2.98Å; G78-T80 PolarHBondContact O-N 3.14Å; T80-G82 PolarHBondContact O-N 2.98Å; T80-Y92 PolarHBondContact N-O 2.8Å
81V95.3Very high94.1Very high1 Ų166 Ų661%0.00632%0.321CS..EExtended strand (participates in β ladder)trans-82.8101179.5-176.20000109.7Y35 N91 Y92 F94 L115Y35-V81 WeakPolarHBondContact O-CG1 3.4Å; V81-N91 CarbonylContact O-C 3.58Å; V81-Y92 WeakPolarHBondContact CB-O 3.42Å; V81-Y92 PolarHBondContact N-O 2.86Å; V81-Y92 PolarHBondContact O-N 3.24Å; V81-F94 HydrophobicContact CG2-CB 4.14Å; V81-L115 HydrophobicContact CG1-CB 3.78Å; V81-L115 HydrophobicContact CG1-CD2 3.49Å; V81-L115 VanDerWaalsContact CG1-CD2 3.49Å; V81-L115 HydrophobicContact CG1-CG 4.1Å
82G95.1Very high94.1Very high8 Ų866 Ų668%0.08232%0.321CS..EExtended strand (participates in β ladder)trans-89.2156.9177.200000113S37 T80S37-G82 WeakPolarHBondContact OG-CA 3.43Å; S37-G82 PolarHBondContact OG-N 2.93Å; T80-G82 PolarHBondContact O-N 2.98Å
83C95.3Very high94.1Very high13 Ų1360.8 Ų60.89%0.08830%0.298CS..BIsolated β-bridgetrans-68.1135.9166-174.10000110.3L85 C88 K90 L115 C117 H120C83-L85 PolarHBondContact O-N 2.95Å; C83-L85 VanDerWaalsContact O-N 3.16Å; C83-C88 HydrophobicContact CB-CB 3.8Å; C83-K90 PolarHBondContact N-O 2.84Å; C83-K90 VanDerWaalsContact N-O 3.12Å; C83-L115 CarbonylContact C-O 3.47Å; C83-L115 VanDerWaalsContact CA-O 3.25Å; C83-L115 WeakPolarHBondContact CA-O 3.33Å; C83-C117 HydrophobicContact CB-CB 4.36Å; C83-C117 PolarHBondContact SG-N 3.33Å; C83-C117 VanDerWaalsContact SG-N 3.41Å; C83-H120 PolarHBondContact SG-ND1 2.53Å; C83-H120 VanDerWaalsContact SG-ND1 3.42Å
84D93.8Very high94Very high76 Ų7656.9 Ų56.941%0.40628%0.281SS..SBendtrans-67.7-14.4-177.5-165.759.5000113.9K86 K114 L115 L116D84-K86 PolarHBondContact O-N 2.94Å; D84-K114 HydrophobicContact CB-CB 4.27Å; D84-K114 HydrophobicContact CB-CD 4.44Å; D84-K114 HydrophobicContact CB-CG 4.44Å; D84-K114 WeakPolarHBondContact OD1-CE 3.47Å; D84-K114 IonicContact OD1-NZ 3.52Å; D84-K114 PolarHBondContact OD1-NZ 3.02Å; D84-K114 WeakPolarHBondContact OD2-CD 3.4Å; D84-K114 WeakPolarHBondContact OD2-CE 3.28Å; D84-K114 IonicContact OD2-NZ 3.52Å; D84-K114 PolarHBondContact OD2-NZ 2.95Å; D84-L115 PolarHBondContact N-O 3.1Å; D84-L116 HydrophobicContact CB-CD2 4.1Å
85L91.9Very high93.9Very high70 Ų7056 Ų5637%0.36627%0.273SS..SBendtrans-75.9118.9176.6-167.873.6000110.8C83 N87 C88 H120C83-L85 PolarHBondContact O-N 2.95Å; C83-L85 VanDerWaalsContact O-N 3.16Å; L85-N87 PolarHBondContact O-N 3.11Å; L85-C88 HydrophobicContact CB-CB 4.17Å; L85-C88 WeakPolarHBondContact O-CB 3.48Å; L85-C88 PolarHBondContact O-N 2.74Å; L85-H120 WeakPolarHBondContact CD2-CE1 3.44Å; L85-H120 WeakPolarHBondContact CD2-NE2 2.94Å
86K86.9Confident93.8Very high200 Ų20051.5 Ų51.587%0.8725%0.254SS*.THydrogen-bonded Turntrans-50-34.3-174.9-64.6-173.7178.7-176.80115.7D84 C88D84-K86 PolarHBondContact O-N 2.94Å; K86-C88 VanDerWaalsContact C-N 3.35Å
87N89.9Confident93.8Very high158 Ų15845.6 Ų45.685%0.84523%0.228SC*.THydrogen-bonded Turntrans-90.2-0.8-178.3-67.4-1.1000113.1L85L85-N87 PolarHBondContact O-N 3.11Å
88C94.1Very high93.7Very high22 Ų2244.3 Ų44.315%0.14923%0.226CC..  trans-90.1126.2176.8-164.30000110.3C83 L85 K86 H120C83-C88 HydrophobicContact CB-CB 3.8Å; L85-C88 HydrophobicContact CB-CB 4.17Å; L85-C88 WeakPolarHBondContact O-CB 3.48Å; L85-C88 PolarHBondContact O-N 2.74Å; K86-C88 VanDerWaalsContact C-N 3.35Å; C88-H120 VanDerWaalsContact CB-CE1 3.47Å; C88-H120 WeakPolarHBondContact CB-CE1 3.49Å; C88-H120 PolarHBondContact SG-CE1 3.15Å
89N93.6Very high93.7Very high143 Ų14349.2 Ų49.277%0.76525%0.245SC*.  trans-100.415176.364.3-13000112.9N91N89-N91 PolarHBondContact O-N 2.64Å; N89-N91 PolarHBondContact O-ND2 3.03Å
90K95.8Very high93.6Very high27 Ų2751.1 Ų51.112%0.11726%0.255CS..  trans-77.5125.3179.2-67.3175.6174.3-174.30109.9K72 C83 Y92 C117 Q119K72-K90 HydrophobicContact CG-CG 4.4Å; C83-K90 PolarHBondContact N-O 2.84Å; C83-K90 VanDerWaalsContact N-O 3.12Å; K90-Y92 HydrophobicContact CB-CD2 4.5Å; K90-Y92 HydrophobicContact CB-CE2 3.63Å; K90-Y92 HydrophobicContact CD-CE2 4.43Å; K90-Y92 WeakPolarHBondContact CD-OH 3.32Å; K90-C117 HydrophobicContact CD-CB 3.7Å; K90-C117 PolarHBondContact NZ-SG 3.43Å; K90-Q119 VanDerWaalsContact NZ-CD 3.3Å
91N96.5Very high93.5Very high33 Ų3356.1 Ų56.118%0.17628%0.282CS..EExtended strand (participates in β ladder)trans-122.1142.9177.9-66.7-87.9000108.8L69 C71 K72 A79 V81 N89L69-N91 HydrophobicContact CB-CB 4.48Å; C71-N91 CarbonylContact C-O 3.5Å; C71-N91 WeakPolarHBondContact CA-O 3.31Å; K72-N91 PolarHBondContact N-O 3.09Å; A79-N91 HydrophobicContact CB-CB 4.12Å; A79-N91 WeakPolarHBondContact O-CB 3.46Å; V81-N91 CarbonylContact O-C 3.58Å; N89-N91 PolarHBondContact O-N 2.64Å; N89-N91 PolarHBondContact O-ND2 3.03Å
92Y96Very high93.5Very high0 Ų056.4 Ų56.40%028%0.284CS..EExtended strand (participates in β ladder)trans-137.6158.5-175.2-62.8-86000111.4K72 F73 A79 T80 V81 K90 A97 D100 L115 C117K72-Y92 HydrophobicContact CB-CD1 4.22Å; K72-Y92 HydrophobicContact CB-CE1 3.65Å; K72-Y92 HydrophobicContact CG-CE1 4.12Å; F73-Y92 HydrophobicContact CB-CD1 4.34Å; F73-Y92 HydrophobicContact CB-CE1 4.39Å; A79-Y92 CarbonylContact C-O 3.53Å; A79-Y92 VanDerWaalsContact C-O 3.24Å; A79-Y92 VanDerWaalsContact CA-O 3.24Å; A79-Y92 WeakPolarHBondContact CA-O 3.35Å; A79-Y92 VanDerWaalsContact CB-C 3.5Å; T80-Y92 PolarHBondContact N-O 2.8Å; V81-Y92 WeakPolarHBondContact CB-O 3.42Å; V81-Y92 PolarHBondContact N-O 2.86Å; V81-Y92 PolarHBondContact O-N 3.24Å; K90-Y92 HydrophobicContact CB-CD2 4.5Å; K90-Y92 HydrophobicContact CB-CE2 3.63Å; K90-Y92 HydrophobicContact CD-CE2 4.43Å; K90-Y92 WeakPolarHBondContact CD-OH 3.32Å; Y92-A97 HydrophobicContact CD1-CB 4.34Å; Y92-A97 HydrophobicContact CD2-CB 4.43Å; Y92-A97 HydrophobicContact CG-CB 3.93Å; Y92-D100 HydrophobicContact CD1-CB 4.5Å; Y92-D100 HydrophobicContact CE1-CB 3.8Å; Y92-D100 WeakPolarHBondContact CE1-OD2 3.45Å; Y92-D100 PolarHBondContact OH-OD2 3.05Å; Y92-L115 HydrophobicContact CD2-CD2 3.86Å; Y92-L115 HydrophobicContact CG-CD2 4.44Å; Y92-C117 HydrophobicContact CE2-CB 4.14Å
93H95.1Very high93.4Very high3 Ų359.1 Ų59.11%0.01430%0.299CS..  trans-78.8149.2150.4-52.7113.9000107.5L8 P10 C74 R77 G78 F95 C96 A97L8-H93 PolarHBondContact O-CD2 3.17Å; P10-H93 WeakPolarHBondContact CD-ND1 3.34Å; C74-H93 PolarHBondContact SG-CE1 3.1Å; C74-H93 PolarHBondContact SG-ND1 3.01Å; R77-H93 PolarHBondContact O-CE1 3Å; R77-H93 PolarHBondContact O-NE2 2.88Å; G78-H93 PolarHBondContact O-CD2 3.25Å; H93-F95 PolarHBondContact O-N 3.36Å; H93-C96 HydrophobicContact CB-CB 3.96Å; H93-C96 CarbonylContact O-C 3.55Å; H93-C96 WeakPolarHBondContact O-CA 3.43Å; H93-C96 WeakPolarHBondContact O-CB 3.44Å; H93-C96 PolarHBondContact O-N 2.97Å; H93-A97 PolarHBondContact O-N 3.27Å
94F93.3Very high93.3Very high5 Ų560.4 Ų60.42%0.02231%0.307CS..Hα-helixtrans-51.2-51.8-177.3179.3-102.3000113N31 Y35 V81 C96 A97 K98 P104N31-F94 HydrophobicContact CB-CD1 3.53Å; N31-F94 HydrophobicContact CB-CD2 4.12Å; N31-F94 HydrophobicContact CB-CE1 3.45Å; N31-F94 VanDerWaalsContact CB-CE1 3.45Å; N31-F94 HydrophobicContact CB-CE2 4.06Å; N31-F94 HydrophobicContact CB-CG 3.86Å; N31-F94 HydrophobicContact CB-CZ 3.72Å; Y35-F94 HydrophobicContact CD1-CE2 4.28Å; Y35-F94 AromaticContact CD2-CD2 3.66Å; Y35-F94 HydrophobicContact CD2-CD2 3.66Å; Y35-F94 AromaticContact CD2-CE2 3.32Å; Y35-F94 HydrophobicContact CD2-CE2 3.32Å; Y35-F94 HydrophobicContact CD2-CZ 4.25Å; Y35-F94 HydrophobicContact CE1-CE2 4.41Å; Y35-F94 HydrophobicContact CE2-CD2 4.27Å; Y35-F94 AromaticContact CE2-CE2 3.47Å; Y35-F94 HydrophobicContact CE2-CE2 3.47Å; Y35-F94 VanDerWaalsContact CE2-CE2 3.47Å; Y35-F94 HydrophobicContact CE2-CZ 4.07Å; Y35-F94 AromaticContact CG-CD2 3.83Å; Y35-F94 HydrophobicContact CG-CD2 3.83Å; Y35-F94 AromaticContact CG-CE2 3.75Å; Y35-F94 HydrophobicContact CG-CE2 3.75Å; V81-F94 HydrophobicContact CG2-CB 4.14Å; F94-C96 VanDerWaalsContact C-N 3.28Å; F94-C96 PolarHBondContact O-N 2.89Å; F94-A97 VanDerWaalsContact O-CB 3.27Å; F94-A97 WeakPolarHBondContact O-CB 3.44Å; F94-A97 PolarHBondContact O-N 3.22Å; F94-A97 VanDerWaalsContact O-N 3.16Å; F94-K98 HydrophobicContact CE1-CD 4.18Å; F94-K98 HydrophobicContact CZ-CD 4.4Å; F94-K98 PolarHBondContact O-N 2.93Å; F94-P104 HydrophobicContact CE2-CB 4.35Å
95F91.8Very high93.2Very high21 Ų2160.9 Ų60.99%0.09231%0.307CS..Hα-helixtrans-72.9-19.4179.2-57.5-68.9000114.1V13 Y15 H29 H93 K99V13-F95 HydrophobicContact CG2-CD2 4.27Å; Y15-F95 HydrophobicContact CD1-CE1 4.24Å; Y15-F95 HydrophobicContact CD1-CZ 4.34Å; Y15-F95 AromaticContact CD2-CD1 3.89Å; Y15-F95 HydrophobicContact CD2-CD1 3.89Å; Y15-F95 HydrophobicContact CD2-CD2 4.06Å; Y15-F95 AromaticContact CD2-CE1 3.29Å; Y15-F95 HydrophobicContact CD2-CE1 3.29Å; Y15-F95 AromaticContact CD2-CE2 3.49Å; Y15-F95 HydrophobicContact CD2-CE2 3.49Å; Y15-F95 VanDerWaalsContact CD2-CE2 3.49Å; Y15-F95 HydrophobicContact CD2-CG 4.24Å; Y15-F95 AromaticContact CD2-CZ 3.07Å; Y15-F95 HydrophobicContact CD2-CZ 3.07Å; Y15-F95 HydrophobicContact CE1-CE1 4.2Å; Y15-F95 AromaticContact CE2-CD1 3.44Å; Y15-F95 HydrophobicContact CE2-CD1 3.44Å; Y15-F95 VanDerWaalsContact CE2-CD1 3.44Å; Y15-F95 HydrophobicContact CE2-CD2 4.18Å; Y15-F95 AromaticContact CE2-CE1 3.25Å; Y15-F95 HydrophobicContact CE2-CE1 3.25Å; Y15-F95 HydrophobicContact CE2-CE2 4.03Å; Y15-F95 AromaticContact CE2-CG 3.92Å; Y15-F95 HydrophobicContact CE2-CG 3.92Å; Y15-F95 AromaticContact CE2-CZ 3.58Å; Y15-F95 HydrophobicContact CE2-CZ 3.58Å; Y15-F95 AromaticContact CG-CE1 3.83Å; Y15-F95 HydrophobicContact CG-CE1 3.83Å; Y15-F95 HydrophobicContact CG-CE2 4.28Å; Y15-F95 AromaticContact CG-CZ 3.54Å; Y15-F95 HydrophobicContact CG-CZ 3.54Å; Y15-F95 AromaticContact CZ-CE1 3.76Å; H29-F95 AromaticContact ND1-CE2 3.8Å; H93-F95 PolarHBondContact O-N 3.36Å; F95-K99 WeakPolarHBondContact O-CG 3.31Å
96C94.3Very high93Very high14 Ų1461.2 Ų61.210%0.09532%0.315CS..Hα-helixtrans-75.9-34.9171.1-71.30000111.1F73 H93 F94 K98 K99 D100F73-C96 HydrophobicContact CB-CB 4.01Å; F73-C96 HydrophobicContact CD1-CB 3.88Å; F73-C96 HydrophobicContact CG-CB 4.26Å; H93-C96 HydrophobicContact CB-CB 3.96Å; H93-C96 CarbonylContact O-C 3.55Å; H93-C96 WeakPolarHBondContact O-CA 3.43Å; H93-C96 WeakPolarHBondContact O-CB 3.44Å; H93-C96 PolarHBondContact O-N 2.97Å; F94-C96 VanDerWaalsContact C-N 3.28Å; F94-C96 PolarHBondContact O-N 2.89Å; C96-K98 VanDerWaalsContact C-N 3.34Å; C96-K99 PolarHBondContact O-N 3.33Å; C96-D100 PolarHBondContact O-N 3.43Å; C96-D100 VanDerWaalsContact O-N 3.11Å
97A94Very high92.9Very high0 Ų054.5 Ų54.50%029%0.288CS..Hα-helixtrans-59.5-47174.900000111Y92 H93 F94 K99 D100 D101 A102 L115Y92-A97 HydrophobicContact CD1-CB 4.34Å; Y92-A97 HydrophobicContact CD2-CB 4.43Å; Y92-A97 HydrophobicContact CG-CB 3.93Å; H93-A97 PolarHBondContact O-N 3.27Å; F94-A97 VanDerWaalsContact O-CB 3.27Å; F94-A97 WeakPolarHBondContact O-CB 3.44Å; F94-A97 PolarHBondContact O-N 3.22Å; F94-A97 VanDerWaalsContact O-N 3.16Å; A97-K99 PolarHBondContact O-N 3.29Å; A97-D100 CarbonylContact O-C 3.47Å; A97-D100 PolarHBondContact O-N 3.25Å; A97-D101 PolarHBondContact O-N 3.13Å; A97-A102 HydrophobicContact CB-CB 3.87Å; A97-A102 VanDerWaalsContact O-CB 3.26Å; A97-A102 WeakPolarHBondContact O-CB 3.42Å; A97-A102 PolarHBondContact O-N 3.25Å; A97-L115 HydrophobicContact CB-CD1 3.82Å; A97-L115 HydrophobicContact CB-CD2 3.45Å; A97-L115 VanDerWaalsContact CB-CD2 3.45Å; A97-L115 HydrophobicContact CB-CG 4.28Å
98K92Very high92.3Very high123 Ų12349.2 Ų49.254%0.53527%0.272SS..Hα-helixtrans-58.4-30.7175.4-75.1-170.4141.1-173.60113.9F94 C96F94-K98 HydrophobicContact CE1-CD 4.18Å; F94-K98 HydrophobicContact CZ-CD 4.4Å; F94-K98 PolarHBondContact O-N 2.93Å; C96-K98 VanDerWaalsContact C-N 3.34Å
99K92.8Very high91.6Very high114 Ų11454.7 Ų54.750%0.49630%0.304SS..Hα-helixtrans-82.7-18.1177.9-68.7176.5-176.1-169.50113.7F73 F95 C96 A97 D101F73-K99 HydrophobicContact CD2-CB 4.41Å; F73-K99 HydrophobicContact CE1-CB 4Å; F73-K99 HydrophobicContact CE1-CD 3.92Å; F73-K99 HydrophobicContact CE2-CB 3.87Å; F73-K99 HydrophobicContact CZ-CB 3.66Å; F73-K99 HydrophobicContact CZ-CD 4.07Å; F73-K99 HydrophobicContact CZ-CG 4.5Å; F95-K99 WeakPolarHBondContact O-CG 3.31Å; C96-K99 PolarHBondContact O-N 3.33Å; A97-K99 PolarHBondContact O-N 3.29Å; K99-D101 VanDerWaalsContact C-N 3.31Å
100D93.5Very high90.9Very high41 Ų4156.6 Ų56.622%0.21930%0.301CS..THydrogen-bonded Turntrans-99.522.1176.4-160.856.4000110.9F73 Y92 C96 A97 A102F73-D100 HydrophobicContact CB-CB 4.32Å; F73-D100 HydrophobicContact CD2-CB 3.97Å; F73-D100 HydrophobicContact CG-CB 4.49Å; Y92-D100 HydrophobicContact CD1-CB 4.5Å; Y92-D100 HydrophobicContact CE1-CB 3.8Å; Y92-D100 WeakPolarHBondContact CE1-OD2 3.45Å; Y92-D100 PolarHBondContact OH-OD2 3.05Å; C96-D100 PolarHBondContact O-N 3.43Å; C96-D100 VanDerWaalsContact O-N 3.11Å; A97-D100 CarbonylContact O-C 3.47Å; A97-D100 PolarHBondContact O-N 3.25Å; D100-A102 PolarHBondContact O-N 2.81Å
101D93.6Very high90.1Very high107 Ų10756.2 Ų56.257%0.57231%0.305SS*.THydrogen-bonded Turntrans50.631.8-177.9-57.2-44000114.3A97 K99 Q118A97-D101 PolarHBondContact O-N 3.13Å; K99-D101 VanDerWaalsContact C-N 3.31Å; D101-Q118 HydrophobicContact CB-CB 4.48Å; D101-Q118 HydrophobicContact CB-CG 4.14Å
102A94.3Very high89.5Confident7 Ų756.9 Ų56.96%0.05831%0.308CS..  trans-75.2143.8168.900000110.1A97 D100 P104 L115 L116A97-A102 HydrophobicContact CB-CB 3.87Å; A97-A102 VanDerWaalsContact O-CB 3.26Å; A97-A102 WeakPolarHBondContact O-CB 3.42Å; A97-A102 PolarHBondContact O-N 3.25Å; D100-A102 PolarHBondContact O-N 2.81Å; A102-P104 VanDerWaalsContact O-CD 3.24Å; A102-P104 WeakPolarHBondContact O-CD 3.49Å; A102-L115 HydrophobicContact CB-CD1 3.93Å; A102-L115 HydrophobicContact CB-CD2 4.05Å; A102-L115 HydrophobicContact CB-CG 4.08Å; A102-L116 CarbonylContact C-O 3.5Å; A102-L116 VanDerWaalsContact CA-O 3.3Å; A102-L116 WeakPolarHBondContact CA-O 3.35Å; A102-L116 WeakPolarHBondContact CB-O 3.46Å
103V94.2Very high89.2Confident64 Ų6459 Ų5939%0.38832%0.316SS..EExtended strand (participates in β ladder)trans-101.2106.9-176.4179.50000109.7L116 A121V103-L116 PolarHBondContact N-O 2.96Å; V103-L116 PolarHBondContact O-N 3.44Å; V103-A121 HydrophobicContact CB-CB 3.87Å; V103-A121 HydrophobicContact CG2-CB 3.46Å; V103-A121 VanDerWaalsContact CG2-CB 3.46Å
104P92.1Very high89.1Confident40 Ų4062.3 Ų62.326%0.2633%0.33SS..EExtended strand (participates in β ladder)trans-71.6133.1167.728.5-31.4000110Y35 F94 A102 K114 L115Y35-P104 HydrophobicContact CD1-CB 4.24Å; Y35-P104 HydrophobicContact CE1-CB 3.46Å; Y35-P104 VanDerWaalsContact CE1-CB 3.46Å; F94-P104 HydrophobicContact CE2-CB 4.35Å; A102-P104 VanDerWaalsContact O-CD 3.24Å; A102-P104 WeakPolarHBondContact O-CD 3.49Å; P104-K114 CarbonylContact C-O 3.24Å; P104-K114 WeakPolarHBondContact CA-O 3.38Å; P104-L115 HydrophobicContact CB-CD1 4.05Å
105Q91Very high89.1Confident86 Ų8662.2 Ų62.240%0.40233%0.33SS..EExtended strand (participates in β ladder)trans-114.2132.6172.3-66.7-177.6-14.200108.4K114Q105-K114 HydrophobicContact CB-CB 4.46Å; Q105-K114 PolarHBondContact N-O 3.24Å; Q105-K114 PolarHBondContact O-N 2.84Å; Q105-K114 VanDerWaalsContact O-O 3.12Å
106S88.4Confident89.3Confident77 Ų7762 Ų6254%0.53833%0.33SS..EExtended strand (participates in β ladder)trans-135.1129.7177.751.60000110.4I112S106-I112 CarbonylContact C-O 3.58Å; S106-I112 VanDerWaalsContact CA-O 3.23Å; S106-I112 WeakPolarHBondContact CA-O 3.41Å
107D84Confident89.3Confident59 Ų5961.3 Ų61.332%0.31633%0.325SS..EExtended strand (participates in β ladder)trans-113.897.6165.5-172.7-26.3000107.5V109 R110 G111 I112D107-V109 PolarHBondContact O-N 2.91Å; D107-V109 PolarHBondContact OD1-N 2.98Å; D107-V109 VanDerWaalsContact OD1-N 3.15Å; D107-R110 HydrophobicContact CB-CB 4.24Å; D107-R110 PolarHBondContact O-N 2.94Å; D107-R110 PolarHBondContact OD1-N 3.31Å; D107-R110 VanDerWaalsContact OD1-N 3.14Å; D107-R110 WeakPolarHBondContact OD2-CD 3.32Å; D107-R110 WeakPolarHBondContact OD2-CG 3.4Å; D107-G111 PolarHBondContact O-N 3.45Å; D107-I112 HydrophobicContact CB-CB 4.1Å; D107-I112 PolarHBondContact N-O 3.19Å; D107-I112 PolarHBondContact O-N 3.34Å
108G77.9Confident89.2Confident48 Ų4865.4 Ų65.450%0.49534%0.344SS..THydrogen-bonded Turntrans-67.2-23.9-175.900000113.6
109V79.4Confident89.2Confident137 Ų13765.3 Ų65.383%0.8335%0.346SS*.THydrogen-bonded Turntrans-75.9-38.6177.7-178.30000110.1D107D107-V109 PolarHBondContact O-N 2.91Å; D107-V109 PolarHBondContact OD1-N 2.98Å; D107-V109 VanDerWaalsContact OD1-N 3.15Å
110R78.3Confident89.1Confident182 Ų18262 Ų6269%0.68733%0.332SS*.THydrogen-bonded Turntrans-93-2.3-179.6-62.5178.563.9-157.20.6114.2D107 I112D107-R110 HydrophobicContact CB-CB 4.24Å; D107-R110 PolarHBondContact O-N 2.94Å; D107-R110 PolarHBondContact OD1-N 3.31Å; D107-R110 VanDerWaalsContact OD1-N 3.14Å; D107-R110 WeakPolarHBondContact OD2-CD 3.32Å; D107-R110 WeakPolarHBondContact OD2-CG 3.4Å; R110-I112 HydrophobicContact CB-CD1 3.73Å; R110-I112 HydrophobicContact CB-CG1 3.8Å; R110-I112 PolarHBondContact O-N 2.72Å
111G79.6Confident88.7Confident20 Ų2061.4 Ų61.421%0.20633%0.332CS..THydrogen-bonded Turntrans64.624.6-174.600000113.7E41 D107 Y113E41-G111 VanDerWaalsContact OE2-CA 3.24Å; E41-G111 WeakPolarHBondContact OE2-CA 3.35Å; D107-G111 PolarHBondContact O-N 3.45Å; G111-Y113 WeakPolarHBondContact O-CD2 3.25Å
112I84.3Confident87.6Confident47 Ų4762.6 Ų62.624%0.24134%0.335CS..EExtended strand (participates in β ladder)trans-94.3118.2-174.7-59.8173.1000109.6S106 D107 R110 K114S106-I112 CarbonylContact C-O 3.58Å; S106-I112 VanDerWaalsContact CA-O 3.23Å; S106-I112 WeakPolarHBondContact CA-O 3.41Å; D107-I112 HydrophobicContact CB-CB 4.1Å; D107-I112 PolarHBondContact N-O 3.19Å; D107-I112 PolarHBondContact O-N 3.34Å; R110-I112 HydrophobicContact CB-CD1 3.73Å; R110-I112 HydrophobicContact CB-CG1 3.8Å; R110-I112 PolarHBondContact O-N 2.72Å; I112-K114 HydrophobicContact CG2-CD 3.63Å; I112-K114 HydrophobicContact CG2-CG 3.81Å
113Y89.9Confident86.1Confident45 Ų4569.2 Ų69.218%0.17636%0.362CS..EExtended strand (participates in β ladder)trans-123.7114.5176.8-66.6-83.9000110.2L34 Y35 E41 R52 G111L34-Y113 HydrophobicContact CB-CD1 4.01Å; L34-Y113 HydrophobicContact CB-CD2 4.23Å; L34-Y113 HydrophobicContact CB-CE1 4.5Å; L34-Y113 HydrophobicContact CB-CG 3.88Å; L34-Y113 HydrophobicContact CD1-CD1 4.28Å; L34-Y113 HydrophobicContact CD1-CE1 3.97Å; L34-Y113 HydrophobicContact CD2-CD2 3.91Å; L34-Y113 HydrophobicContact CD2-CE2 3.79Å; L34-Y113 HydrophobicContact CD2-CG 4.39Å; L34-Y113 WeakPolarHBondContact O-CB 3.18Å; Y35-Y113 HydrophobicContact CD2-CD1 4.41Å; Y35-Y113 HydrophobicContact CE1-CD1 4.4Å; Y35-Y113 AromaticContact CE2-CD1 3.84Å; Y35-Y113 HydrophobicContact CE2-CD1 3.84Å; Y35-Y113 AromaticContact CZ-CD1 3.84Å; E41-Y113 VanDerWaalsContact OE1-CE2 3.26Å; E41-Y113 WeakPolarHBondContact OE1-CE2 3.37Å; R52-Y113 VanDerWaalsContact CZ-OH 3.23Å; R52-Y113 VanDerWaalsContact NH1-CZ 3.29Å; R52-Y113 PolarHBondContact NH1-OH 3.42Å; R52-Y113 PolarHBondContact NH2-OH 3.4Å; G111-Y113 WeakPolarHBondContact O-CD2 3.25Å
114K91.9Very high84.2Confident72 Ų7270.3 Ų70.331%0.31337%0.371SS..EExtended strand (participates in β ladder)trans-136.2151.5-172.1-69.6176.4167-146.40111.2Y35 D84 P104 Q105 I112Y35-K114 WeakPolarHBondContact CD1-O 3.47Å; Y35-K114 VanDerWaalsContact CE1-O 3.26Å; Y35-K114 WeakPolarHBondContact CE1-O 3.21Å; D84-K114 HydrophobicContact CB-CB 4.27Å; D84-K114 HydrophobicContact CB-CD 4.44Å; D84-K114 HydrophobicContact CB-CG 4.44Å; D84-K114 WeakPolarHBondContact OD1-CE 3.47Å; D84-K114 IonicContact OD1-NZ 3.52Å; D84-K114 PolarHBondContact OD1-NZ 3.02Å; D84-K114 WeakPolarHBondContact OD2-CD 3.4Å; D84-K114 WeakPolarHBondContact OD2-CE 3.28Å; D84-K114 IonicContact OD2-NZ 3.52Å; D84-K114 PolarHBondContact OD2-NZ 2.95Å; P104-K114 CarbonylContact C-O 3.24Å; P104-K114 WeakPolarHBondContact CA-O 3.38Å; Q105-K114 HydrophobicContact CB-CB 4.46Å; Q105-K114 PolarHBondContact N-O 3.24Å; Q105-K114 PolarHBondContact O-N 2.84Å; Q105-K114 VanDerWaalsContact O-O 3.12Å; I112-K114 HydrophobicContact CG2-CD 3.63Å; I112-K114 HydrophobicContact CG2-CG 3.81Å
115L94Very high82.5Confident3 Ų374.6 Ų74.62%0.01639%0.39CS..EExtended strand (participates in β ladder)trans-122132.2174.3-173.383.7000110V81 C83 D84 Y92 A97 A102 P104V81-L115 HydrophobicContact CG1-CB 3.78Å; V81-L115 HydrophobicContact CG1-CD2 3.49Å; V81-L115 VanDerWaalsContact CG1-CD2 3.49Å; V81-L115 HydrophobicContact CG1-CG 4.1Å; C83-L115 CarbonylContact C-O 3.47Å; C83-L115 VanDerWaalsContact CA-O 3.25Å; C83-L115 WeakPolarHBondContact CA-O 3.33Å; D84-L115 PolarHBondContact N-O 3.1Å; Y92-L115 HydrophobicContact CD2-CD2 3.86Å; Y92-L115 HydrophobicContact CG-CD2 4.44Å; A97-L115 HydrophobicContact CB-CD1 3.82Å; A97-L115 HydrophobicContact CB-CD2 3.45Å; A97-L115 VanDerWaalsContact CB-CD2 3.45Å; A97-L115 HydrophobicContact CB-CG 4.28Å; A102-L115 HydrophobicContact CB-CD1 3.93Å; A102-L115 HydrophobicContact CB-CD2 4.05Å; A102-L115 HydrophobicContact CB-CG 4.08Å; P104-L115 HydrophobicContact CB-CD1 4.05Å
116L94.8Very high80.4Confident15 Ų1578 Ų788%0.07941%0.409CS..EExtended strand (participates in β ladder)trans-109125.2167.8-64.5177.7000109.4D84 A102 V103 A121D84-L116 HydrophobicContact CB-CD2 4.1Å; A102-L116 CarbonylContact C-O 3.5Å; A102-L116 VanDerWaalsContact CA-O 3.3Å; A102-L116 WeakPolarHBondContact CA-O 3.35Å; A102-L116 WeakPolarHBondContact CB-O 3.46Å; V103-L116 PolarHBondContact N-O 2.96Å; V103-L116 PolarHBondContact O-N 3.44Å; L116-A121 HydrophobicContact CB-CB 4.19Å
117C94.8Very high78.6Confident0 Ų078.3 Ų78.30%042%0.417CS..  trans-66.2161.9174.578.50000110.9C83 K90 Y92 Q119 H120 A121C83-C117 HydrophobicContact CB-CB 4.36Å; C83-C117 PolarHBondContact SG-N 3.33Å; C83-C117 VanDerWaalsContact SG-N 3.41Å; K90-C117 HydrophobicContact CD-CB 3.7Å; K90-C117 PolarHBondContact NZ-SG 3.43Å; Y92-C117 HydrophobicContact CE2-CB 4.14Å; C117-Q119 PolarHBondContact O-N 3.06Å; C117-H120 CarbonylContact O-C 3.52Å; C117-H120 PolarHBondContact O-N 3.24Å; C117-H120 PolarHBondContact SG-ND1 3.24Å; C117-H120 VanDerWaalsContact SG-ND1 3.43Å; C117-A121 PolarHBondContact O-N 2.86Å
118Q92.6Very high77.3Confident87 Ų8783.8 Ų83.841%0.40744%0.441SS..Hα-helixtrans-49.8-32.6179.5-168-167.625.700114.3D101 Q122D101-Q118 HydrophobicContact CB-CB 4.48Å; D101-Q118 HydrophobicContact CB-CG 4.14Å; Q118-Q122 WeakPolarHBondContact O-CG 3.45Å; Q118-Q122 PolarHBondContact O-NE2 2.99Å
119Q90.9Very high75.9Confident120 Ų12087.2 Ų87.256%0.56146%0.457SS*.Hα-helixtrans-74.5-23.9177.6-72.3178-43.300113.9K90 C117K90-Q119 VanDerWaalsContact NZ-CD 3.3Å; C117-Q119 PolarHBondContact O-N 3.06Å
120H91.3Very high74.3Confident46 Ų4684.5 Ų84.521%0.21345%0.449CS..Hα-helixtrans-112-7.7-176.3-59.6143.3000113.1C83 L85 C88 C117 F123C83-H120 PolarHBondContact SG-ND1 2.53Å; C83-H120 VanDerWaalsContact SG-ND1 3.42Å; L85-H120 WeakPolarHBondContact CD2-CE1 3.44Å; L85-H120 WeakPolarHBondContact CD2-NE2 2.94Å; C88-H120 VanDerWaalsContact CB-CE1 3.47Å; C88-H120 WeakPolarHBondContact CB-CE1 3.49Å; C88-H120 PolarHBondContact SG-CE1 3.15Å; C117-H120 CarbonylContact O-C 3.52Å; C117-H120 PolarHBondContact O-N 3.24Å; C117-H120 PolarHBondContact SG-ND1 3.24Å; C117-H120 VanDerWaalsContact SG-ND1 3.43Å; H120-F123 CarbonylContact O-C 3.56Å
121A85.4Confident73Confident27 Ų2785 Ų8522%0.22346%0.456CS..Hα-helixtrans-73.7-27.417400000112.9V103 L116 C117V103-A121 HydrophobicContact CB-CB 3.87Å; V103-A121 HydrophobicContact CG2-CB 3.46Å; V103-A121 VanDerWaalsContact CG2-CB 3.46Å; L116-A121 HydrophobicContact CB-CB 4.19Å; C117-A121 PolarHBondContact O-N 2.86Å
122Q70.9Confident71.1Confident133 Ų13393.8 Ų93.862%0.62149%0.489SS*.SBendtrans-82.9-20.2-175.9-32.1-173.534.700112.3Q118Q118-Q122 WeakPolarHBondContact O-CG 3.45Å; Q118-Q122 PolarHBondContact O-NE2 2.99Å
123F62.8Low69Low146 Ų14696.3 Ų96.364%0.6451%0.511SS*.  trans-128.377.6173.4-55.5-81.7000107.2H120 I125H120-F123 CarbonylContact O-C 3.56Å; F123-I125 HydrophobicContact CB-CG1 4.01Å; F123-I125 WeakPolarHBondContact O-CG1 3.36Å; F123-I125 PolarHBondContact O-N 3.38Å
124P53.3Low66.9Low87 Ų8797.8 Ų97.857%0.56554%0.54SS*.  trans-65.685.2164.127.9-29.2000106.3I126P124-I126 PolarHBondContact O-N 3.27Å
125I56.5Low64.6Low130 Ų130100.7 Ų100.767%0.66756%0.563SS**  trans-63.3110.7-172.9-70.5174.9000107.6F123 A127F123-I125 HydrophobicContact CB-CG1 4.01Å; F123-I125 WeakPolarHBondContact O-CG1 3.36Å; F123-I125 PolarHBondContact O-N 3.38Å; I125-A127 PolarHBondContact O-N 2.94Å
126I48Very low61.9Low156 Ų156110.3 Ų110.380%0.861%0.605SS**  trans-32.4128154.9-66.2164.4000108.5P124 Q128P124-I126 PolarHBondContact O-N 3.27Å; I126-Q128 PolarHBondContact O-N 3.45Å
127A49.4Very low59.4Low85 Ų85120.6 Ų120.670%0.70264%0.643SS**SBendtrans-28.3120.8-179.800000114.6I125I125-A127 PolarHBondContact O-N 2.94Å
128Q56.8Low56.6Low174 Ų174130.8 Ų130.881%0.81369%0.687SS**  trans37.7106.9150.5-55.7-179.935.700117.7I126I126-Q128 PolarHBondContact O-N 3.45Å
129S48.8Very low54Low119 Ų119138.5 Ų138.583%0.83271%0.712SS**  165150.2113.250.10000111.4
130A47Very low51.5Low81 Ų81136.7 Ų136.767%0.66973%0.726SS**  trans84108.1162.600000119
131K50.1Low49Very low191 Ų191144.3 Ų144.383%0.8375%0.753SS**  trans77109.4139.3-56.3174.1-166.7-175.40117.2
132F38.7Very low46.7Very low206 Ų206153.1 Ų153.190%0.90479%0.786SS**  -139.2139.3126.5-112.3-86000111.8
133S41.8Very low45.2Very low99 Ų99154.9 Ų154.969%0.69279%0.792SS**  trans-54153.9-172.525.70000115
134G45.2Very low44Very low77 Ų77153.2 Ų153.279%0.79480%0.796SS**  trans-61.5139.4-176.800000114
135V42.9Very low42.8Very low132 Ų132157.4 Ų157.480%0.881%0.812SS**  trans-123.3101.5150.4-178.30000106.7R137V135-R137 PolarHBondContact O-N 2.88Å; V135-R137 VanDerWaalsContact O-N 3.14Å
136K38.1Very low41.6Very low205 Ų205156.9 Ų156.989%0.89182%0.82SS**  trans-61.9110.9172.9-74.6-175.5176.7178.20108.7
137R41.9Very low40.6Very low232 Ų232152.2 Ų152.288%0.87581%0.811SS**  trans-89.1114.2163.6-76.3-174.3155.4-178.8-6.1109.2V135 R139V135-R137 PolarHBondContact O-N 2.88Å; V135-R137 VanDerWaalsContact O-N 3.14Å; R137-R139 PolarHBondContact O-N 2.72Å
138K36.9Very low39.6Very low213 Ų213156.2 Ų156.293%0.92682%0.821SS**PPolyproline II helixtrans-55117.4175-73178.7176.5176.70109.7
139R38.1Very low38.5Very low249 Ų249156.5 Ų156.594%0.9482%0.821SS**PPolyproline II helixtrans-79.7117.5167.9-78.9179.3169.6173.4-3.6108.8R137R137-R139 PolarHBondContact O-N 2.72Å
140G36.9Very low37.6Very low82 Ų82157.5 Ų157.585%0.84582%0.822SS**PPolyproline II helixtrans-66.5131.4167.700000110.6
141R39.1Very low36.9Very low207 Ų207161.5 Ų161.578%0.78183%0.827SS**PPolyproline II helixtrans-92127.8-174.3176.3178.9-168.6169.72.8110.4
142K37.8Very low36Very low211 Ų211157.9 Ų157.992%0.91782%0.823SS**  trans-144.1148.7143-71.3-161.7-179.8176.60110.2
143K39.4Very low35.8Very low171 Ų171154.4 Ų154.474%0.74382%0.821SS**  trans-88.3171.6-150.3-90-177.8179-178.40114.5
144P36.3Very low35.3Very low111 Ų111158.1 Ų158.172%0.72183%0.827SS**  trans-100.8174.6-156.240.3-33.1000113.6
145L29.8Very low34.9Very low174 Ų174160.7 Ų160.791%0.91183%0.828SS**  trans-164127.9141.4-98.3154000112.5
146S31.2Very low34.7Very low119 Ų119163.6 Ų163.683%0.83284%0.835SS**  trans53.4116.3147.9-143.50000124.2
147G26.7Very low34.5Very low59 Ų59162.3 Ų162.361%0.60883%0.83SS**  86.697.111800000120.1
148N28.8Very low33.8Very low169 Ų169157.3 Ų157.390%0.90483%0.829SS**  166.2143.5106.1-83.4-30.8000112.9
149H32.3Very low33.7Very low180 Ų180153.7 Ų153.783%0.83382%0.819SS**  trans-65.7127.5-178.2-136.6-78.1000111.6
150V29.6Very low33.6Very low140 Ų140147.5 Ų147.585%0.84881%0.81SS**  trans-144.7127.6158.2-177.30000108.7
151Q33.1Very low33.4Very low164 Ų164152.5 Ų152.577%0.76681%0.809SS**PPolyproline II helixtrans-65158.4-177.8-71.9171.8-82.700113.1
152P31.9Very low33.5Very low116 Ų116149.3 Ų149.375%0.75381%0.805SS**PPolyproline II helixtrans-73.913817929.3-32.6000111.5
153P33.2Very low33.3Very low132 Ų132150.3 Ų150.386%0.85780%0.804SS**PPolyproline II helixtrans-82.2144169.433.1-30.8000110.8
154E32.5Very low33Very low177 Ų177150.8 Ų150.883%0.82781%0.808SS**PPolyproline II helixtrans-77.1161.3-165.1-62165.4128.800112.9M156E154-M156 PolarHBondContact O-N 3.45Å
155T35.8Very low32.8Very low132 Ų132152.3 Ų152.381%0.8182%0.815SS**  trans-56.5110.5173.639.80000111.2K157T155-K157 PolarHBondContact O-N 3.17Å
156M39.4Very low33Very low192 Ų192153.3 Ų153.395%0.94681%0.812SS**  trans-82.4113.3174.5-72-140.2164.200110.9E154E154-M156 PolarHBondContact O-N 3.45Å
157K33.6Very low32.9Very low178 Ų178157 Ų15777%0.77482%0.817SS**  trans-66.2141.8169.3-63.4172.3-179.61760109.2T155 N159T155-K157 PolarHBondContact O-N 3.17Å; K157-N159 PolarHBondContact O-N 3.38Å
158C27.7Very low33.3Very low127 Ų127167.2 Ų167.286%0.85885%0.848SS**  trans-67.4109.7170.5-1660000108.2
159N33.8Very low33.5Very low137 Ų137167.1 Ų167.173%0.73385%0.845SS**  trans-90.1110.8174.1-85.64.2000109K157 F161K157-N159 PolarHBondContact O-N 3.38Å; N159-F161 PolarHBondContact O-N 3.18Å
160T37.8Very low33.5Very low120 Ų120166.4 Ų166.474%0.73685%0.846SS**  trans-62.9122.5166.5-40.90000109.3
161F30.9Very low33.8Very low187 Ų187167.9 Ų167.982%0.8285%0.846SS**  trans-127.6105.8160.4-112.1-90.5000108.9N159 R163N159-F161 PolarHBondContact O-N 3.18Å; F161-R163 PolarHBondContact O-N 3.45Å
162I42.6Very low33.8Very low139 Ų139168.1 Ų168.171%0.71385%0.85SS**  trans-55.3126.1163.5-62.5-78.5000107.7
163R33.7Very low33.9Very low233 Ų233171.4 Ų171.488%0.87986%0.857SS**  trans-121.6118.2155.2-79.8-177.577-171.31.3108.9F161F161-R163 PolarHBondContact O-N 3.45Å
164Q33Very low34Very low180 Ų180174 Ų17484%0.84186%0.857SS**  trans-54.9135.9174.8-71.5156-6000110.8
165V31.6Very low34.1Very low143 Ų143173.8 Ų173.887%0.86786%0.859SS**  trans-74.7126.2159.7-68.40000108.7
166K34.3Very low33.9Very low195 Ų195177 Ų17785%0.84886%0.862SS**  trans-147.3123154.1-95.1-169175.5-1710105.8
167E29.8Very low33.5Very low198 Ų198175.8 Ų175.893%0.92586%0.855SS**  trans-165.5117.8140.4-104.6158.1-168.700108.4
168E33Very low33.5Very low272 Ų272175.5 Ų175.5100%1.27186%0.863SS**  trans-710147.9-76.7174.6101.300109.2

Retrieved 168 of 168 residues in 30.3 ms (Link to these results)

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