A0A3Q0KMN2_SCHMA Loading...

DNAj-related

AlphaFold DB , UniProt , Accession A0A3Q0KMN2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 284 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
1M37.1Very low75.4Confident239 Ų23977.5 Ų77.5100%1.17745%0.446SS*.  0130.20-71.2167.2167.900108.2S3M1-S3 PolarHBondContact O-N 2.87Å
2T46.9Very low76.6Confident136 Ų13674.3 Ų74.383%0.83443%0.427SS*.  trans-80.6106.4179.637.80000110.2I4T2-I4 PolarHBondContact O-N 3.29Å
3S60.6Low77.5Confident86 Ų8675.3 Ų75.360%0.60144%0.435SS*.  trans-61.2106175.7-53.40000109.8M1 C5M1-S3 PolarHBondContact O-N 2.87Å; S3-C5 PolarHBondContact O-N 2.67Å; S3-C5 PolarHBondContact O-SG 3.3Å
4I69.1Low78Confident53 Ų5381.4 Ų81.427%0.27245%0.454SS..  trans-60.3113.7-178.1-57-178.2000108.8T2 V9 Y67T2-I4 PolarHBondContact O-N 3.29Å; I4-V9 HydrophobicContact CG2-CG2 3.47Å; I4-V9 VanDerWaalsContact CG2-CG2 3.47Å; I4-Y67 PolarHBondContact O-OH 3.13Å
5C83Confident78.7Confident44 Ų4484.1 Ų84.130%0.29747%0.474SS..  trans-85.6115.2174.2-53.20000108.9S3 Y7 K8 V9 Y67S3-C5 PolarHBondContact O-N 2.67Å; S3-C5 PolarHBondContact O-SG 3.3Å; C5-Y7 VanDerWaalsContact C-N 3.26Å; C5-Y7 PolarHBondContact O-N 2.83Å; C5-K8 HydrophobicContact CB-CB 3.94Å; C5-K8 HydrophobicContact CB-CD 3.86Å; C5-K8 HydrophobicContact CB-CG 3.71Å; C5-K8 WeakPolarHBondContact O-CA 3.18Å; C5-K8 WeakPolarHBondContact O-CB 3.4Å; C5-K8 PolarHBondContact O-N 2.71Å; C5-V9 PolarHBondContact O-N 3.33Å; C5-Y67 VanDerWaalsContact CA-OH 3.29Å; C5-Y67 WeakPolarHBondContact CA-OH 3.34Å
6Y86.7Confident79.3Confident13 Ų1379 Ų795%0.05145%0.445CS..Hα-helixtrans-58.7-38.6-178.8-65.2-49.8000112.2K8 V9 L10 A53 A54 V57 Y67 L75Y6-K8 VanDerWaalsContact C-N 3.32Å; Y6-K8 PolarHBondContact O-N 3.07Å; Y6-V9 WeakPolarHBondContact O-CB 3.3Å; Y6-V9 PolarHBondContact O-N 3.41Å; Y6-V9 VanDerWaalsContact O-N 3.14Å; Y6-L10 PolarHBondContact O-N 3.09Å; Y6-A53 HydrophobicContact CE1-CB 4.33Å; Y6-A54 VanDerWaalsContact CD1-CA 3.42Å; Y6-A54 HydrophobicContact CD1-CB 3.67Å; Y6-A54 HydrophobicContact CG-CB 4.07Å; Y6-V57 HydrophobicContact CD2-CB 3.99Å; Y6-V57 HydrophobicContact CD2-CG1 3.78Å; Y6-V57 HydrophobicContact CD2-CG2 4.42Å; Y6-V57 HydrophobicContact CE2-CB 3.93Å; Y6-V57 HydrophobicContact CE2-CG1 3.78Å; Y6-V57 HydrophobicContact CE2-CG2 3.86Å; Y6-Y67 HydrophobicContact CD2-CD1 4.21Å; Y6-Y67 AromaticContact CD2-CD2 3.6Å; Y6-Y67 HydrophobicContact CD2-CD2 3.6Å; Y6-Y67 AromaticContact CD2-CE1 3.88Å; Y6-Y67 HydrophobicContact CD2-CE1 3.88Å; Y6-Y67 AromaticContact CD2-CE2 3.21Å; Y6-Y67 HydrophobicContact CD2-CE2 3.21Å; Y6-Y67 HydrophobicContact CD2-CG 4.07Å; Y6-Y67 AromaticContact CD2-CZ 3.36Å; Y6-Y67 AromaticContact CE2-CD2 3.61Å; Y6-Y67 HydrophobicContact CE2-CD2 3.61Å; Y6-Y67 AromaticContact CE2-CE2 3.38Å; Y6-Y67 HydrophobicContact CE2-CE2 3.38Å; Y6-Y67 HydrophobicContact CE2-CG 4.41Å; Y6-Y67 HydrophobicContact CG-CE2 4.24Å; Y6-Y67 PolarHBondContact N-OH 2.66Å; Y6-L75 HydrophobicContact CE2-CD1 4.15Å
7Y89.4Confident80Confident9 Ų978.8 Ų78.84%0.03545%0.446CS..Hα-helixtrans-55.5-42.3170.5-62.8-74.4000112.9C5 L10 G11 L12 T13 K14 L58 R64 Y67 D68C5-Y7 VanDerWaalsContact C-N 3.26Å; C5-Y7 PolarHBondContact O-N 2.83Å; Y7-L10 PolarHBondContact O-N 2.77Å; Y7-G11 PolarHBondContact O-N 3.22Å; Y7-L12 CarbonylContact C-O 3.56Å; Y7-L12 PolarHBondContact O-N 2.83Å; Y7-T13 VanDerWaalsContact CD1-O 3.27Å; Y7-T13 WeakPolarHBondContact CD1-O 3.44Å; Y7-K14 HydrophobicContact CD2-CG 3.94Å; Y7-K14 HydrophobicContact CE2-CB 4.4Å; Y7-K14 HydrophobicContact CE2-CG 4.09Å; Y7-K14 HydrophobicContact CG-CG 4.33Å; Y7-L58 HydrophobicContact CD1-CD1 3.95Å; Y7-L58 HydrophobicContact CD1-CD2 4.29Å; Y7-L58 HydrophobicContact CD2-CD2 4.45Å; Y7-L58 HydrophobicContact CE1-CD1 4.12Å; Y7-L58 HydrophobicContact CE1-CD2 3.72Å; Y7-L58 HydrophobicContact CE2-CD2 3.9Å; Y7-L58 HydrophobicContact CG-CD1 4.31Å; Y7-R64 PolarHBondContact OH-NE 3.35Å; Y7-R64 VanDerWaalsContact OH-NE 3.09Å; Y7-R64 PolarHBondContact OH-NH2 2.97Å; Y7-Y67 HydrophobicContact CD2-CE1 4.03Å; Y7-Y67 HydrophobicContact CE2-CD1 4.16Å; Y7-Y67 AromaticContact CE2-CE1 3.85Å; Y7-Y67 HydrophobicContact CE2-CE1 3.85Å; Y7-D68 WeakPolarHBondContact CE2-OD1 2.99Å; Y7-D68 VanDerWaalsContact OH-CG 3.29Å; Y7-D68 PolarHBondContact OH-OD1 3.46Å; Y7-D68 PolarHBondContact OH-OD2 3.33Å
8K88.8Confident80.6Confident169 Ų16977.4 Ų77.474%0.73544%0.438SS*.Hα-helixtrans-69.9-33.8177.2-66.4-176.5-178.3179.60112.5C5 Y6 L10 G11C5-K8 HydrophobicContact CB-CB 3.94Å; C5-K8 HydrophobicContact CB-CD 3.86Å; C5-K8 HydrophobicContact CB-CG 3.71Å; C5-K8 WeakPolarHBondContact O-CA 3.18Å; C5-K8 WeakPolarHBondContact O-CB 3.4Å; C5-K8 PolarHBondContact O-N 2.71Å; Y6-K8 VanDerWaalsContact C-N 3.32Å; Y6-K8 PolarHBondContact O-N 3.07Å; K8-L10 VanDerWaalsContact C-N 3.33Å; K8-G11 PolarHBondContact O-N 2.89Å
9V89.1Confident81.1Confident29 Ų2980 Ų8018%0.17645%0.446CS..Hα-helixtrans-63.4-41.3175.1176.20000110.9I4 C5 Y6 G11 E50 I51 A54I4-V9 HydrophobicContact CG2-CG2 3.47Å; I4-V9 VanDerWaalsContact CG2-CG2 3.47Å; C5-V9 PolarHBondContact O-N 3.33Å; Y6-V9 WeakPolarHBondContact O-CB 3.3Å; Y6-V9 PolarHBondContact O-N 3.41Å; Y6-V9 VanDerWaalsContact O-N 3.14Å; V9-G11 VanDerWaalsContact C-N 3.32Å; V9-E50 HydrophobicContact CG1-CB 3.9Å; V9-I51 HydrophobicContact CG1-CG1 3.93Å; V9-A54 HydrophobicContact CB-CB 4.07Å; V9-A54 HydrophobicContact CG1-CB 4.05Å
10L89.5Confident81.7Confident6 Ų680.2 Ų80.23%0.03144%0.443CS..Hα-helixtrans-80.8-7.3176.3-62.7-175.9000114.2Y6 Y7 K8 L12 V21 A24 L28 I51 A54 L58Y6-L10 PolarHBondContact O-N 3.09Å; Y7-L10 PolarHBondContact O-N 2.77Å; K8-L10 VanDerWaalsContact C-N 3.33Å; L10-L12 VanDerWaalsContact C-N 3.33Å; L10-L12 HydrophobicContact CB-CD1 3.94Å; L10-L12 HydrophobicContact CB-CG 4.07Å; L10-L12 HydrophobicContact CD1-CD1 4.23Å; L10-V21 HydrophobicContact CD1-CG1 3.99Å; L10-A24 HydrophobicContact CB-CB 4.1Å; L10-A24 WeakPolarHBondContact O-CB 3.44Å; L10-L28 HydrophobicContact CB-CD1 4.48Å; L10-L28 HydrophobicContact CD2-CD1 4.14Å; L10-I51 HydrophobicContact CD2-CG2 4.08Å; L10-A54 HydrophobicContact CD1-CB 4.32Å; L10-A54 HydrophobicContact CD2-CB 4.13Å; L10-A54 HydrophobicContact CG-CB 3.89Å; L10-L58 HydrophobicContact CD1-CD1 3.9Å
11G88.8Confident82.1Confident68 Ų6876.4 Ų76.470%0.70142%0.422SS*.THydrogen-bonded Turntrans68.929.7-174.700000113.7Y7 K8 V9Y7-G11 PolarHBondContact O-N 3.22Å; K8-G11 PolarHBondContact O-N 2.89Å; V9-G11 VanDerWaalsContact C-N 3.32Å
12L90.6Very high84.6Confident40 Ų4069.4 Ų69.421%0.20938%0.382CS..  trans-110.8158.6-176.7-68.4176.2000112.4Y7 L10 A16 E20 V21 A24Y7-L12 CarbonylContact C-O 3.56Å; Y7-L12 PolarHBondContact O-N 2.83Å; L10-L12 VanDerWaalsContact C-N 3.33Å; L10-L12 HydrophobicContact CB-CD1 3.94Å; L10-L12 HydrophobicContact CB-CG 4.07Å; L10-L12 HydrophobicContact CD1-CD1 4.23Å; L12-A16 HydrophobicContact CB-CB 3.95Å; L12-A16 HydrophobicContact CD1-CB 4.09Å; L12-A16 HydrophobicContact CD2-CB 4.16Å; L12-A16 HydrophobicContact CG-CB 4.3Å; L12-E20 HydrophobicContact CD2-CB 4.12Å; L12-V21 HydrophobicContact CD1-CB 4.28Å; L12-V21 HydrophobicContact CD1-CG2 3.81Å; L12-A24 HydrophobicContact CD1-CB 3.77Å; L12-A24 HydrophobicContact CD2-CB 4.14Å; L12-A24 HydrophobicContact CG-CB 3.93Å
13T88.1Confident86.7Confident87 Ų8769.3 Ų69.353%0.53437%0.367SS..  trans-81.9161.3167580000110.5Y7 T15 A16Y7-T13 VanDerWaalsContact CD1-O 3.27Å; Y7-T13 WeakPolarHBondContact CD1-O 3.44Å; T13-T15 PolarHBondContact O-N 3.44Å; T13-T15 PolarHBondContact OG1-OG1 2.79Å; T13-A16 VanDerWaalsContact O-CB 3.25Å; T13-A16 WeakPolarHBondContact O-CB 3.15Å; T13-A16 PolarHBondContact O-N 2.74Å; T13-A16 VanDerWaalsContact O-N 3.13Å
14K84.5Confident88.2Confident160 Ų16065.7 Ų65.770%0.69634%0.342SS*.THydrogen-bonded Turntrans-62-24.4173.9-64-171.6177.3-170.30113.1Y7 A16 R64Y7-K14 HydrophobicContact CD2-CG 3.94Å; Y7-K14 HydrophobicContact CE2-CB 4.4Å; Y7-K14 HydrophobicContact CE2-CG 4.09Å; Y7-K14 HydrophobicContact CG-CG 4.33Å; K14-A16 VanDerWaalsContact C-N 3.25Å; K14-A16 PolarHBondContact O-N 2.81Å; K14-R64 PolarHBondContact O-NH2 2.73Å; K14-R64 VanDerWaalsContact O-NH2 3.12Å
15T88Confident89.3Confident123 Ų12363.2 Ų63.276%0.75533%0.329SS*.THydrogen-bonded Turntrans-79.6-1.217858.70000113.8T13T13-T15 PolarHBondContact O-N 3.44Å; T13-T15 PolarHBondContact OG1-OG1 2.79Å
16A88Confident89.5Confident2 Ų264 Ų642%0.01733%0.326CS..  trans-63.4141.5-173.800000112.6L12 T13 K14 E20 R64L12-A16 HydrophobicContact CB-CB 3.95Å; L12-A16 HydrophobicContact CD1-CB 4.09Å; L12-A16 HydrophobicContact CD2-CB 4.16Å; L12-A16 HydrophobicContact CG-CB 4.3Å; T13-A16 VanDerWaalsContact O-CB 3.25Å; T13-A16 WeakPolarHBondContact O-CB 3.15Å; T13-A16 PolarHBondContact O-N 2.74Å; T13-A16 VanDerWaalsContact O-N 3.13Å; K14-A16 VanDerWaalsContact C-N 3.25Å; K14-A16 PolarHBondContact O-N 2.81Å; A16-E20 VanDerWaalsContact CA-OE2 3.23Å; A16-E20 WeakPolarHBondContact CA-OE2 3.36Å; A16-E20 HydrophobicContact CB-CB 4.25Å; A16-R64 PolarHBondContact O-NH1 2.82Å; A16-R64 PolarHBondContact O-NH2 3.46Å
17T91.4Very high89.7Confident76 Ų7672.5 Ų72.547%0.46636%0.358SS..  trans-75.6158.8175.161.50000111.3E19 E20 V21T17-E19 PolarHBondContact O-N 2.89Å; T17-E20 PolarHBondContact N-OE2 3.25Å; T17-E20 WeakPolarHBondContact O-CB 3.12Å; T17-E20 PolarHBondContact O-N 3.3Å; T17-E20 WeakPolarHBondContact OG1-CG 3.48Å; T17-E20 PolarHBondContact OG1-N 3.15Å; T17-E20 PolarHBondContact OG1-OE2 3.19Å; T17-V21 PolarHBondContact O-N 3.21Å
18D90.5Very high89.8Confident54 Ų5473.9 Ų73.929%0.28937%0.366SS..Hα-helixtrans-62.7-26.1178.7-56.5-10.7000112.1R22 R64D18-R22 WeakPolarHBondContact O-CB 3.36Å; D18-R22 WeakPolarHBondContact O-CD 3.49Å; D18-R22 WeakPolarHBondContact O-CG 3.28Å; D18-R22 PolarHBondContact O-N 3.04Å; D18-R64 IonicContact OD1-NH1 2.93Å; D18-R64 PolarHBondContact OD1-NH1 3.46Å
19E90.5Very high89.8Confident126 Ų12665.9 Ų65.959%0.58933%0.331SS*.Hα-helixtrans-67.6-39.9171.5-66.3-168.3-168.900112.9T17 R22 R23T17-E19 PolarHBondContact O-N 2.89Å; E19-R22 PolarHBondContact O-N 2.83Å; E19-R23 VanDerWaalsContact O-CB 3.24Å; E19-R23 WeakPolarHBondContact O-CB 3.32Å; E19-R23 PolarHBondContact O-N 2.8Å
20E92.4Very high89.7Confident84 Ų8467.5 Ų67.539%0.39334%0.338SS..Hα-helixtrans-67.9-40174.8-71.3167.2152.100111.1L12 A16 T17 R23 A24L12-E20 HydrophobicContact CD2-CB 4.12Å; A16-E20 VanDerWaalsContact CA-OE2 3.23Å; A16-E20 WeakPolarHBondContact CA-OE2 3.36Å; A16-E20 HydrophobicContact CB-CB 4.25Å; T17-E20 PolarHBondContact N-OE2 3.25Å; T17-E20 WeakPolarHBondContact O-CB 3.12Å; T17-E20 PolarHBondContact O-N 3.3Å; T17-E20 WeakPolarHBondContact OG1-CG 3.48Å; T17-E20 PolarHBondContact OG1-N 3.15Å; T17-E20 PolarHBondContact OG1-OE2 3.19Å; E20-R23 PolarHBondContact O-N 2.84Å; E20-A24 VanDerWaalsContact O-CB 3.31Å; E20-A24 WeakPolarHBondContact O-CB 3.47Å; E20-A24 PolarHBondContact O-N 2.67Å
21V91.6Very high89.7Confident0 Ų073.5 Ų73.50%036%0.364CS..Hα-helixtrans-55.4-51.8170.6172.40000110.7L10 L12 T17 R23 A24 Y25 Y55 L58L10-V21 HydrophobicContact CD1-CG1 3.99Å; L12-V21 HydrophobicContact CD1-CB 4.28Å; L12-V21 HydrophobicContact CD1-CG2 3.81Å; T17-V21 PolarHBondContact O-N 3.21Å; V21-R23 VanDerWaalsContact C-N 3.33Å; V21-R23 PolarHBondContact O-N 2.84Å; V21-A24 PolarHBondContact O-N 3.14Å; V21-Y25 WeakPolarHBondContact O-CB 3.38Å; V21-Y25 PolarHBondContact O-N 2.79Å; V21-Y55 HydrophobicContact CG1-CD2 3.91Å; V21-Y55 HydrophobicContact CG1-CE2 4.26Å; V21-L58 HydrophobicContact CG1-CB 3.81Å; V21-L58 HydrophobicContact CG2-CB 4.25Å
22R89.9Confident89.8Confident92 Ų9273 Ų7335%0.34734%0.341SS..Hα-helixtrans-61.2-38.1175.4-68.4166.9-167124.49112.2D18 E19 R26 Y55 F132D18-R22 WeakPolarHBondContact O-CB 3.36Å; D18-R22 WeakPolarHBondContact O-CD 3.49Å; D18-R22 WeakPolarHBondContact O-CG 3.28Å; D18-R22 PolarHBondContact O-N 3.04Å; E19-R22 PolarHBondContact O-N 2.83Å; R22-R26 WeakPolarHBondContact O-CG 3.5Å; R22-R26 PolarHBondContact O-N 2.68Å; R22-R26 VanDerWaalsContact O-N 3.1Å; R22-R26 PolarHBondContact O-NH1 3.08Å; R22-Y55 HydrophobicContact CB-CE2 4.4Å; R22-Y55 HydrophobicContact CG-CE2 3.8Å; R22-F132 HydrophobicContact CB-CE2 4.39Å; R22-F132 HydrophobicContact CB-CZ 4.44Å; R22-F132 HydrophobicContact CG-CE2 4.35Å
23R90.7Very high89.6Confident134 Ų13473.3 Ų73.351%0.50634%0.342SS..Hα-helixtrans-72.6-38.5-178.8-166.7-174.7-58.3-169.82.5112.3E19 E20 V21 R27E19-R23 VanDerWaalsContact O-CB 3.24Å; E19-R23 WeakPolarHBondContact O-CB 3.32Å; E19-R23 PolarHBondContact O-N 2.8Å; E20-R23 PolarHBondContact O-N 2.84Å; V21-R23 VanDerWaalsContact C-N 3.33Å; V21-R23 PolarHBondContact O-N 2.84Å; R23-R27 WeakPolarHBondContact O-CG 3.3Å; R23-R27 PolarHBondContact O-N 2.85Å
24A92.5Very high89.4Confident11 Ų1171.2 Ų71.29%0.09133%0.329CS..Hα-helixtrans-67.5-47.2174.800000111.1L10 L12 E20 V21 R26 R27 L28L10-A24 HydrophobicContact CB-CB 4.1Å; L10-A24 WeakPolarHBondContact O-CB 3.44Å; L12-A24 HydrophobicContact CD1-CB 3.77Å; L12-A24 HydrophobicContact CD2-CB 4.14Å; L12-A24 HydrophobicContact CG-CB 3.93Å; E20-A24 VanDerWaalsContact O-CB 3.31Å; E20-A24 WeakPolarHBondContact O-CB 3.47Å; E20-A24 PolarHBondContact O-N 2.67Å; V21-A24 PolarHBondContact O-N 3.14Å; A24-R26 VanDerWaalsContact C-N 3.35Å; A24-R26 PolarHBondContact O-N 2.99Å; A24-R27 PolarHBondContact O-N 2.91Å; A24-L28 WeakPolarHBondContact O-CB 3.38Å; A24-L28 WeakPolarHBondContact O-CG 3.34Å; A24-L28 PolarHBondContact O-N 2.78Å
25Y90.8Very high89.5Confident0 Ų069.7 Ų69.70%033%0.329CS..Hα-helixtrans-52.8-51.1173.2176.6-106000111.1V21 R27 L28 A29 I51 Y55 F129 F132 F133V21-Y25 WeakPolarHBondContact O-CB 3.38Å; V21-Y25 PolarHBondContact O-N 2.79Å; Y25-R27 PolarHBondContact O-N 2.84Å; Y25-L28 PolarHBondContact O-N 3.26Å; Y25-A29 HydrophobicContact CD2-CB 4.47Å; Y25-A29 HydrophobicContact CE1-CB 4.4Å; Y25-A29 HydrophobicContact CE2-CB 4.17Å; Y25-A29 WeakPolarHBondContact O-CB 3.41Å; Y25-A29 PolarHBondContact O-N 3.3Å; Y25-I51 HydrophobicContact CD2-CG2 3.58Å; Y25-I51 HydrophobicContact CE2-CG2 3.92Å; Y25-Y55 HydrophobicContact CD1-CD1 4.09Å; Y25-Y55 HydrophobicContact CD1-CD2 4.16Å; Y25-Y55 HydrophobicContact CD1-CE1 4.31Å; Y25-Y55 HydrophobicContact CD1-CE2 4.38Å; Y25-Y55 HydrophobicContact CD1-CG 4.03Å; Y25-Y55 HydrophobicContact CD2-CD1 4.13Å; Y25-Y55 HydrophobicContact CD2-CD2 4.2Å; Y25-Y55 AromaticContact CD2-CG 3.64Å; Y25-Y55 HydrophobicContact CD2-CG 3.64Å; Y25-Y55 HydrophobicContact CE1-CD1 4.21Å; Y25-Y55 HydrophobicContact CE1-CE1 4.45Å; Y25-Y55 HydrophobicContact CE2-CD1 4.25Å; Y25-Y55 HydrophobicContact CE2-CG 4.18Å; Y25-Y55 HydrophobicContact CG-CD1 4.06Å; Y25-Y55 AromaticContact CG-CD2 3.7Å; Y25-Y55 HydrophobicContact CG-CD2 3.7Å; Y25-Y55 HydrophobicContact CG-CE2 4.33Å; Y25-Y55 AromaticContact CG-CG 3.56Å; Y25-Y55 HydrophobicContact CG-CG 3.56Å; Y25-F129 PolarHBondContact OH-N 3.34Å; Y25-F132 HydrophobicContact CD1-CD1 4.39Å; Y25-F132 HydrophobicContact CD1-CD2 4.24Å; Y25-F132 HydrophobicContact CD1-CE2 4.48Å; Y25-F132 HydrophobicContact CD1-CG 4.22Å; Y25-F132 HydrophobicContact CE1-CB 4.18Å; Y25-F132 HydrophobicContact CE1-CD1 4.24Å; Y25-F132 HydrophobicContact CE1-CD2 4.25Å; Y25-F132 AromaticContact CE1-CG 3.91Å; Y25-F132 HydrophobicContact CE1-CG 3.91Å; Y25-F133 HydrophobicContact CE1-CE2 4.12Å
26R87.7Confident89.4Confident62 Ų6270 Ų7023%0.23432%0.32CS..Hα-helixtrans-51.1-50.4176.9-79.1-167.6-58.3-83.623.5113.4R22 A24 L30 F132 F133 H136R22-R26 WeakPolarHBondContact O-CG 3.5Å; R22-R26 PolarHBondContact O-N 2.68Å; R22-R26 VanDerWaalsContact O-N 3.1Å; R22-R26 PolarHBondContact O-NH1 3.08Å; A24-R26 VanDerWaalsContact C-N 3.35Å; A24-R26 PolarHBondContact O-N 2.99Å; R26-L30 WeakPolarHBondContact O-CB 3.4Å; R26-L30 WeakPolarHBondContact O-CG 3.45Å; R26-L30 PolarHBondContact O-N 3.19Å; R26-F132 HydrophobicContact CG-CD1 4.2Å; R26-F132 HydrophobicContact CG-CE1 3.26Å; R26-F132 HydrophobicContact CG-CZ 3.72Å; R26-F133 HydrophobicContact CB-CZ 4.34Å; R26-F133 HydrophobicContact CG-CE1 4.25Å; R26-F133 HydrophobicContact CG-CZ 4.2Å; R26-H136 VanDerWaalsContact CD-CD2 3.43Å; R26-H136 WeakPolarHBondContact CD-CD2 3.11Å; R26-H136 WeakPolarHBondContact CD-NE2 3.27Å
27R90.4Very high89.2Confident191 Ų19171.6 Ų71.672%0.72133%0.328SS*.Hα-helixtrans-66.6-41.9-176.9-69.3172.469.1-168.23.2112.1R23 A24 Y25 K31R23-R27 WeakPolarHBondContact O-CG 3.3Å; R23-R27 PolarHBondContact O-N 2.85Å; A24-R27 PolarHBondContact O-N 2.91Å; Y25-R27 PolarHBondContact O-N 2.84Å; R27-K31 WeakPolarHBondContact O-CB 3.44Å; R27-K31 PolarHBondContact O-N 2.84Å; R27-K31 VanDerWaalsContact O-N 3.12Å
28L91.9Very high88.8Confident38 Ų3872.6 Ų72.620%0.19934%0.336CS..Hα-helixtrans-78.6-38.7-176-69.4172.1000112.5L10 A24 Y25 K31 W32 I51L10-L28 HydrophobicContact CB-CD1 4.48Å; L10-L28 HydrophobicContact CD2-CD1 4.14Å; A24-L28 WeakPolarHBondContact O-CB 3.38Å; A24-L28 WeakPolarHBondContact O-CG 3.34Å; A24-L28 PolarHBondContact O-N 2.78Å; Y25-L28 PolarHBondContact O-N 3.26Å; L28-K31 PolarHBondContact O-N 2.93Å; L28-W32 PolarHBondContact O-N 3.44Å; L28-I51 HydrophobicContact CB-CD1 3.72Å; L28-I51 HydrophobicContact CB-CG1 4.15Å; L28-I51 HydrophobicContact CB-CG2 4.12Å; L28-I51 HydrophobicContact CD1-CG1 4.46Å
29A89.2Confident88.7Confident0 Ų075.9 Ų75.90%036%0.358CS..Hα-helixtrans-61.5-42.4174.400000111.5Y25 H33 F48 F129 F133Y25-A29 HydrophobicContact CD2-CB 4.47Å; Y25-A29 HydrophobicContact CE1-CB 4.4Å; Y25-A29 HydrophobicContact CE2-CB 4.17Å; Y25-A29 WeakPolarHBondContact O-CB 3.41Å; Y25-A29 PolarHBondContact O-N 3.3Å; A29-H33 WeakPolarHBondContact O-CB 3.39Å; A29-H33 PolarHBondContact O-N 3.03Å; A29-H33 VanDerWaalsContact O-N 3.09Å; A29-F48 HydrophobicContact CB-CE2 4.03Å; A29-F129 HydrophobicContact CB-CD2 4Å; A29-F129 HydrophobicContact CB-CE2 4.12Å; A29-F133 HydrophobicContact CB-CE2 3.92Å; A29-F133 HydrophobicContact CB-CZ 4.17Å
30L87.6Confident88.6Confident63 Ų6373.2 Ų73.233%0.3335%0.348SS..Hα-helixtrans-65.4-39.7172-74.5170000112.5R26 K36 F129 F133 M137R26-L30 WeakPolarHBondContact O-CB 3.4Å; R26-L30 WeakPolarHBondContact O-CG 3.45Å; R26-L30 PolarHBondContact O-N 3.19Å; L30-K36 WeakPolarHBondContact O-CD 3.32Å; L30-F129 HydrophobicContact CD2-CZ 4.44Å; L30-F133 HydrophobicContact CD1-CE1 4.21Å; L30-F133 HydrophobicContact CD2-CE1 4.33Å; L30-F133 HydrophobicContact CG-CE1 4.07Å; L30-F133 HydrophobicContact CG-CZ 4.06Å; L30-M137 HydrophobicContact CD2-CE 3.9Å
31K88.9Confident88.4Confident133 Ų13373.6 Ų73.658%0.57835%0.352SS*.Hα-helixtrans-65.4-41.1179.7-179.3174.9177.7177.20112.5R27 L28 N37R27-K31 WeakPolarHBondContact O-CB 3.44Å; R27-K31 PolarHBondContact O-N 2.84Å; R27-K31 VanDerWaalsContact O-N 3.12Å; L28-K31 PolarHBondContact O-N 2.93Å; K31-N37 PolarHBondContact O-ND2 2.93Å
32W90.7Very high88.3Confident56 Ų5681.6 Ų81.621%0.21239%0.39CS..THydrogen-bonded Turntrans-103.516.1-174.8-64.7109.5000113.7L28 A44 K47 I51L28-W32 PolarHBondContact O-N 3.44Å; W32-A44 HydrophobicContact CE3-CB 4.13Å; W32-K47 HydrophobicContact CB-CB 4.2Å; W32-K47 HydrophobicContact CD2-CB 3.67Å; W32-K47 HydrophobicContact CD2-CG 3.98Å; W32-K47 HydrophobicContact CE3-CB 4.12Å; W32-K47 HydrophobicContact CE3-CG 4.22Å; W32-K47 HydrophobicContact CG-CB 3.74Å; W32-K47 HydrophobicContact CH2-CG 4.14Å; W32-K47 HydrophobicContact CZ2-CD 4.28Å; W32-K47 HydrophobicContact CZ2-CG 3.93Å; W32-K47 HydrophobicContact CZ3-CG 4.29Å; W32-I51 HydrophobicContact CB-CD1 4.29Å; W32-I51 HydrophobicContact CG-CD1 4.09Å
33H85.9Confident88.3Confident47 Ų4782.6 Ų82.622%0.21840%0.398CS..  trans-64.6137.7173.6-164.2-90.5000110.1A29 D35 K36 N37 F129A29-H33 WeakPolarHBondContact O-CB 3.39Å; A29-H33 PolarHBondContact O-N 3.03Å; A29-H33 VanDerWaalsContact O-N 3.09Å; H33-D35 VanDerWaalsContact C-N 3.3Å; H33-D35 WeakPolarHBondContact ND1-CB 3.37Å; H33-D35 PolarHBondContact ND1-N 2.85Å; H33-D35 PolarHBondContact O-N 3.23Å; H33-K36 PolarHBondContact O-N 2.8Å; H33-N37 PolarHBondContact O-N 2.87Å; H33-N37 PolarHBondContact O-ND2 3.13Å; H33-F129 AromaticContact CD2-CE2 3.77Å; H33-F129 AromaticContact CD2-CZ 3.7Å
34P85.1Confident88.2Confident43 Ų4376.2 Ų76.228%0.27937%0.374SS..G310 helixtrans-58.6-39.7-177.620.4-32.5000112.8K36 N37 L41P34-K36 PolarHBondContact O-N 2.85Å; P34-N37 CarbonylContact O-C 3.55Å; P34-N37 PolarHBondContact O-N 3.28Å; P34-L41 HydrophobicContact CB-CD2 4.07Å
35D84.9Confident88Confident128 Ų12880.4 Ų80.468%0.68439%0.392SS*.G310 helixtrans-54-33.7174.5-174.564.4000113.9H33H33-D35 VanDerWaalsContact C-N 3.3Å; H33-D35 WeakPolarHBondContact ND1-CB 3.37Å; H33-D35 PolarHBondContact ND1-N 2.85Å; H33-D35 PolarHBondContact O-N 3.23Å
36K85.7Confident87.9Confident130 Ų13086.9 Ų86.957%0.56542%0.42SS*.G310 helixtrans-86.3-13.8178.8-64.4-152-171.8-60.70113.9L30 H33 P34 P38L30-K36 WeakPolarHBondContact O-CD 3.32Å; H33-K36 PolarHBondContact O-N 2.8Å; P34-K36 PolarHBondContact O-N 2.85Å; K36-P38 WeakPolarHBondContact O-CD 3.48Å
37N85.2Confident88Confident35 Ų3587.5 Ų87.519%0.18742%0.424CS..  trans-127.854.8-173.2-58.4-85.3000111.5K31 H33 P34 T39 N40 A44K31-N37 PolarHBondContact O-ND2 2.93Å; H33-N37 PolarHBondContact O-N 2.87Å; H33-N37 PolarHBondContact O-ND2 3.13Å; P34-N37 CarbonylContact O-C 3.55Å; P34-N37 PolarHBondContact O-N 3.28Å; N37-T39 PolarHBondContact O-N 2.85Å; N37-N40 CarbonylContact O-C 3.58Å; N37-N40 PolarHBondContact O-N 2.8Å; N37-N40 VanDerWaalsContact O-N 3.08Å; N37-A44 HydrophobicContact CB-CB 3.86Å
38P82.6Confident87.9Confident97 Ų9778.9 Ų78.963%0.6339%0.392SS*.THydrogen-bonded Turntrans-62-18.6-176.427.2-36.2000113.7K36K36-P38 WeakPolarHBondContact O-CD 3.48Å
39T87.9Confident87.8Confident124 Ų12479.9 Ų79.976%0.76140%0.395SS*.THydrogen-bonded Turntrans-86-27.1176.857.80000114N37N37-T39 PolarHBondContact O-N 2.85Å
40N88.9Confident87.8Confident70 Ų7081.8 Ų81.837%0.37440%0.404SS..  trans-126.445.8-168.9-68.250.6000110.7N37 E42 E43 A44N37-N40 CarbonylContact O-C 3.58Å; N37-N40 PolarHBondContact O-N 2.8Å; N37-N40 VanDerWaalsContact O-N 3.08Å; N40-E42 PolarHBondContact O-N 2.89Å; N40-E43 HydrophobicContact CB-CB 4.48Å; N40-E43 PolarHBondContact ND2-OE2 2.86Å; N40-E43 PolarHBondContact O-N 2.79Å; N40-A44 VanDerWaalsContact O-CB 3.28Å; N40-A44 WeakPolarHBondContact O-CB 3.39Å; N40-A44 PolarHBondContact O-N 3.39Å
41L89Confident88Confident92 Ų9278.9 Ų78.948%0.48239%0.389SS..Hα-helixtrans-56.2-45.7-173.7-66.8173.6000112.8P34 A44 E45P34-L41 HydrophobicContact CB-CD2 4.07Å; L41-A44 PolarHBondContact O-N 2.79Å; L41-E45 VanDerWaalsContact O-CB 3.26Å; L41-E45 WeakPolarHBondContact O-CB 3.44Å; L41-E45 PolarHBondContact O-N 2.78Å
42E88.9Confident88Confident168 Ų16872.6 Ų72.679%0.78536%0.361SS*.Hα-helixtrans-64-43.3-178.6-61.4-176.6179.900112.9N40 K46N40-E42 PolarHBondContact O-N 2.89Å; E42-K46 VanDerWaalsContact O-CB 3.26Å; E42-K46 WeakPolarHBondContact O-CB 3.42Å; E42-K46 PolarHBondContact O-N 2.77Å
43E89.7Confident87.8Confident113 Ų11371.1 Ų71.153%0.52836%0.361SS..Hα-helixtrans-68-42177.6-62.8-170.1133.400111.2N40 K46 K47N40-E43 HydrophobicContact CB-CB 4.48Å; N40-E43 PolarHBondContact ND2-OE2 2.86Å; N40-E43 PolarHBondContact O-N 2.79Å; E43-K46 PolarHBondContact O-N 3.33Å; E43-K47 WeakPolarHBondContact O-CB 3.49Å; E43-K47 VanDerWaalsContact O-CG 3.27Å; E43-K47 WeakPolarHBondContact O-CG 3.41Å; E43-K47 PolarHBondContact O-N 2.94Å
44A89.1Confident88Confident0 Ų068.9 Ų68.90%035%0.351CS..Hα-helixtrans-63.5-48.6177.900000111.2W32 N37 N40 L41 K46 K47 F48W32-A44 HydrophobicContact CE3-CB 4.13Å; N37-A44 HydrophobicContact CB-CB 3.86Å; N40-A44 VanDerWaalsContact O-CB 3.28Å; N40-A44 WeakPolarHBondContact O-CB 3.39Å; N40-A44 PolarHBondContact O-N 3.39Å; L41-A44 PolarHBondContact O-N 2.79Å; A44-K46 PolarHBondContact O-N 3.02Å; A44-K47 PolarHBondContact O-N 3.14Å; A44-F48 WeakPolarHBondContact O-CB 3.28Å; A44-F48 PolarHBondContact O-N 2.74Å
45E88.1Confident88.3Confident98 Ų9868.1 Ų68.146%0.45834%0.343SS..Hα-helixtrans-59.5-47.2176.2-173.3-172.2170.400111.5L41 K47 F48 K49L41-E45 VanDerWaalsContact O-CB 3.26Å; L41-E45 WeakPolarHBondContact O-CB 3.44Å; L41-E45 PolarHBondContact O-N 2.78Å; E45-K47 PolarHBondContact O-N 2.77Å; E45-F48 PolarHBondContact O-N 2.93Å; E45-K49 HydrophobicContact CG-CD 4.27Å; E45-K49 WeakPolarHBondContact O-CB 3.31Å; E45-K49 WeakPolarHBondContact O-CG 3.13Å; E45-K49 PolarHBondContact O-N 2.78Å; E45-K49 WeakPolarHBondContact OE1-CE 3.26Å; E45-K49 IonicContact OE1-NZ 2.74Å; E45-K49 PolarHBondContact OE1-NZ 3.43Å
46K89.3Confident88.4Confident136 Ų13663.4 Ų63.459%0.59132%0.316SS*.Hα-helixtrans-59.9-45.5177.1-177176.1-179.2176.90111.7E42 E43 A44 E50E42-K46 VanDerWaalsContact O-CB 3.26Å; E42-K46 WeakPolarHBondContact O-CB 3.42Å; E42-K46 PolarHBondContact O-N 2.77Å; E43-K46 PolarHBondContact O-N 3.33Å; A44-K46 PolarHBondContact O-N 3.02Å; K46-E50 WeakPolarHBondContact O-CG 3.41Å; K46-E50 PolarHBondContact O-N 3.08Å; K46-E50 VanDerWaalsContact O-N 3.07Å
47K89.2Confident88.5Confident76 Ų7658 Ų5833%0.3329%0.294SS..Hα-helixtrans-64.5-43.7176.3-75.1-73.7154.8-1470111.6W32 E43 A44 E45 K49 E50 I51W32-K47 HydrophobicContact CB-CB 4.2Å; W32-K47 HydrophobicContact CD2-CB 3.67Å; W32-K47 HydrophobicContact CD2-CG 3.98Å; W32-K47 HydrophobicContact CE3-CB 4.12Å; W32-K47 HydrophobicContact CE3-CG 4.22Å; W32-K47 HydrophobicContact CG-CB 3.74Å; W32-K47 HydrophobicContact CH2-CG 4.14Å; W32-K47 HydrophobicContact CZ2-CD 4.28Å; W32-K47 HydrophobicContact CZ2-CG 3.93Å; W32-K47 HydrophobicContact CZ3-CG 4.29Å; E43-K47 WeakPolarHBondContact O-CB 3.49Å; E43-K47 VanDerWaalsContact O-CG 3.27Å; E43-K47 WeakPolarHBondContact O-CG 3.41Å; E43-K47 PolarHBondContact O-N 2.94Å; A44-K47 PolarHBondContact O-N 3.14Å; E45-K47 PolarHBondContact O-N 2.77Å; K47-K49 PolarHBondContact O-N 2.88Å; K47-E50 IonicContact NZ-OE1 3.3Å; K47-E50 IonicContact NZ-OE2 2.71Å; K47-E50 PolarHBondContact NZ-OE2 3.31Å; K47-E50 WeakPolarHBondContact O-CB 3.43Å; K47-E50 PolarHBondContact O-N 2.99Å; K47-I51 HydrophobicContact CB-CD1 4.33Å; K47-I51 WeakPolarHBondContact O-CB 3.49Å; K47-I51 VanDerWaalsContact O-CD1 3.24Å; K47-I51 WeakPolarHBondContact O-CD1 3.32Å; K47-I51 WeakPolarHBondContact O-CG1 3.48Å; K47-I51 PolarHBondContact O-N 3.18Å
48F89.2Confident88.6Confident10 Ų1056.3 Ų56.34%0.04429%0.285CS..Hα-helixtrans-63.7-38.9-179.5-170.7-108.9000112.4A29 A44 E45 I51 S52 P125 E126 F129A29-F48 HydrophobicContact CB-CE2 4.03Å; A44-F48 WeakPolarHBondContact O-CB 3.28Å; A44-F48 PolarHBondContact O-N 2.74Å; E45-F48 PolarHBondContact O-N 2.93Å; F48-I51 PolarHBondContact O-N 2.9Å; F48-S52 WeakPolarHBondContact O-CB 3.43Å; F48-S52 PolarHBondContact O-N 3.15Å; F48-S52 PolarHBondContact O-OG 2.81Å; F48-P125 HydrophobicContact CD1-CB 3.56Å; F48-P125 HydrophobicContact CE1-CB 3.45Å; F48-P125 VanDerWaalsContact CE1-CB 3.45Å; F48-P125 HydrophobicContact CZ-CB 4.49Å; F48-E126 HydrophobicContact CE1-CG 4.44Å; F48-F129 AromaticContact CE2-CD2 3.86Å; F48-F129 HydrophobicContact CE2-CD2 3.86Å; F48-F129 HydrophobicContact CZ-CB 3.87Å; F48-F129 AromaticContact CZ-CD2 3.85Å; F48-F129 HydrophobicContact CZ-CD2 3.85Å; F48-F129 HydrophobicContact CZ-CG 4.12Å
49K87.9Confident88.8Confident58 Ų5852.6 Ų52.625%0.25226%0.261SS..Hα-helixtrans-61.5-49.4169.4-74.1173.4-178.71770111.8E45 K47 I51 S52 A53 F113 P125E45-K49 HydrophobicContact CG-CD 4.27Å; E45-K49 WeakPolarHBondContact O-CB 3.31Å; E45-K49 WeakPolarHBondContact O-CG 3.13Å; E45-K49 PolarHBondContact O-N 2.78Å; E45-K49 WeakPolarHBondContact OE1-CE 3.26Å; E45-K49 IonicContact OE1-NZ 2.74Å; E45-K49 PolarHBondContact OE1-NZ 3.43Å; K47-K49 PolarHBondContact O-N 2.88Å; K49-I51 VanDerWaalsContact C-N 3.34Å; K49-I51 PolarHBondContact O-N 3.27Å; K49-S52 PolarHBondContact O-N 3.08Å; K49-A53 WeakPolarHBondContact O-CB 3.26Å; K49-A53 PolarHBondContact O-N 2.74Å; K49-F113 HydrophobicContact CD-CZ 4.38Å; K49-P125 HydrophobicContact CG-CG 4.08Å
50E89.6Confident88.8Confident41 Ų4149.8 Ų49.819%0.19224%0.242CC..Hα-helixtrans-57.5-44.7175.7-72.8172.6-172.700112V9 K46 K47 A54V9-E50 HydrophobicContact CG1-CB 3.9Å; K46-E50 WeakPolarHBondContact O-CG 3.41Å; K46-E50 PolarHBondContact O-N 3.08Å; K46-E50 VanDerWaalsContact O-N 3.07Å; K47-E50 IonicContact NZ-OE1 3.3Å; K47-E50 IonicContact NZ-OE2 2.71Å; K47-E50 PolarHBondContact NZ-OE2 3.31Å; K47-E50 WeakPolarHBondContact O-CB 3.43Å; K47-E50 PolarHBondContact O-N 2.99Å; E50-A54 WeakPolarHBondContact O-CB 3.35Å; E50-A54 PolarHBondContact O-N 2.67Å
51I91.3Very high88.8Confident2 Ų250.9 Ų50.91%0.0125%0.253CS..Hα-helixtrans-65.9-42-178.8-72.1156.2000111.7V9 L10 Y25 L28 W32 K47 F48 K49 A54 Y55V9-I51 HydrophobicContact CG1-CG1 3.93Å; L10-I51 HydrophobicContact CD2-CG2 4.08Å; Y25-I51 HydrophobicContact CD2-CG2 3.58Å; Y25-I51 HydrophobicContact CE2-CG2 3.92Å; L28-I51 HydrophobicContact CB-CD1 3.72Å; L28-I51 HydrophobicContact CB-CG1 4.15Å; L28-I51 HydrophobicContact CB-CG2 4.12Å; L28-I51 HydrophobicContact CD1-CG1 4.46Å; W32-I51 HydrophobicContact CB-CD1 4.29Å; W32-I51 HydrophobicContact CG-CD1 4.09Å; K47-I51 HydrophobicContact CB-CD1 4.33Å; K47-I51 WeakPolarHBondContact O-CB 3.49Å; K47-I51 VanDerWaalsContact O-CD1 3.24Å; K47-I51 WeakPolarHBondContact O-CD1 3.32Å; K47-I51 WeakPolarHBondContact O-CG1 3.48Å; K47-I51 PolarHBondContact O-N 3.18Å; F48-I51 PolarHBondContact O-N 2.9Å; K49-I51 VanDerWaalsContact C-N 3.34Å; K49-I51 PolarHBondContact O-N 3.27Å; I51-A54 PolarHBondContact O-N 3.46Å; I51-Y55 WeakPolarHBondContact O-CB 3.47Å; I51-Y55 PolarHBondContact O-N 2.95Å
52S89.7Confident88.6Confident0 Ų054 Ų540%027%0.265CS..Hα-helixtrans-70.4-41.4179.9-56.10000111.4F48 K49 A54 Y55 E56F48-S52 WeakPolarHBondContact O-CB 3.43Å; F48-S52 PolarHBondContact O-N 3.15Å; F48-S52 PolarHBondContact O-OG 2.81Å; K49-S52 PolarHBondContact O-N 3.08Å; S52-A54 VanDerWaalsContact C-N 3.32Å; S52-A54 PolarHBondContact O-N 3.33Å; S52-Y55 PolarHBondContact O-N 3.43Å; S52-E56 PolarHBondContact O-N 3.11Å
53A87.3Confident88.4Confident26 Ų2646.5 Ų46.522%0.21523%0.23CC..Hα-helixtrans-61.5-38.7171.700000112.8Y6 K49 V57 F122Y6-A53 HydrophobicContact CE1-CB 4.33Å; K49-A53 WeakPolarHBondContact O-CB 3.26Å; K49-A53 PolarHBondContact O-N 2.74Å; A53-V57 PolarHBondContact O-N 2.76Å; A53-F122 HydrophobicContact CB-CE2 4.09Å; A53-F122 HydrophobicContact CB-CZ 4.12Å
54A89.7Confident88.3Confident0 Ų042.7 Ų42.70%021%0.21CC..Hα-helixtrans-66.5-40.4174.700000112.6Y6 V9 L10 E50 I51 S52 L58Y6-A54 VanDerWaalsContact CD1-CA 3.42Å; Y6-A54 HydrophobicContact CD1-CB 3.67Å; Y6-A54 HydrophobicContact CG-CB 4.07Å; V9-A54 HydrophobicContact CB-CB 4.07Å; V9-A54 HydrophobicContact CG1-CB 4.05Å; L10-A54 HydrophobicContact CD1-CB 4.32Å; L10-A54 HydrophobicContact CD2-CB 4.13Å; L10-A54 HydrophobicContact CG-CB 3.89Å; E50-A54 WeakPolarHBondContact O-CB 3.35Å; E50-A54 PolarHBondContact O-N 2.67Å; I51-A54 PolarHBondContact O-N 3.46Å; S52-A54 VanDerWaalsContact C-N 3.32Å; S52-A54 PolarHBondContact O-N 3.33Å; A54-L58 VanDerWaalsContact O-CB 3.29Å; A54-L58 WeakPolarHBondContact O-CB 3.22Å; A54-L58 VanDerWaalsContact O-CG 3.25Å; A54-L58 WeakPolarHBondContact O-CG 3.44Å; A54-L58 PolarHBondContact O-N 3.26Å
55Y90.6Very high88Confident27 Ų2746 Ų4611%0.10623%0.233CC..Hα-helixtrans-66.4-48.4179177.5-110.3000111.9V21 R22 Y25 I51 S52 V57 L58 S59 V128 F132V21-Y55 HydrophobicContact CG1-CD2 3.91Å; V21-Y55 HydrophobicContact CG1-CE2 4.26Å; R22-Y55 HydrophobicContact CB-CE2 4.4Å; R22-Y55 HydrophobicContact CG-CE2 3.8Å; Y25-Y55 HydrophobicContact CD1-CD1 4.09Å; Y25-Y55 HydrophobicContact CD1-CD2 4.16Å; Y25-Y55 HydrophobicContact CD1-CE1 4.31Å; Y25-Y55 HydrophobicContact CD1-CE2 4.38Å; Y25-Y55 HydrophobicContact CD1-CG 4.03Å; Y25-Y55 HydrophobicContact CD2-CD1 4.13Å; Y25-Y55 HydrophobicContact CD2-CD2 4.2Å; Y25-Y55 AromaticContact CD2-CG 3.64Å; Y25-Y55 HydrophobicContact CD2-CG 3.64Å; Y25-Y55 HydrophobicContact CE1-CD1 4.21Å; Y25-Y55 HydrophobicContact CE1-CE1 4.45Å; Y25-Y55 HydrophobicContact CE2-CD1 4.25Å; Y25-Y55 HydrophobicContact CE2-CG 4.18Å; Y25-Y55 HydrophobicContact CG-CD1 4.06Å; Y25-Y55 AromaticContact CG-CD2 3.7Å; Y25-Y55 HydrophobicContact CG-CD2 3.7Å; Y25-Y55 HydrophobicContact CG-CE2 4.33Å; Y25-Y55 AromaticContact CG-CG 3.56Å; Y25-Y55 HydrophobicContact CG-CG 3.56Å; I51-Y55 WeakPolarHBondContact O-CB 3.47Å; I51-Y55 PolarHBondContact O-N 2.95Å; S52-Y55 PolarHBondContact O-N 3.43Å; Y55-V57 VanDerWaalsContact C-N 3.34Å; Y55-V57 PolarHBondContact O-N 2.78Å; Y55-L58 PolarHBondContact O-N 2.78Å; Y55-S59 VanDerWaalsContact O-CB 3.24Å; Y55-S59 WeakPolarHBondContact O-CB 3.45Å; Y55-S59 PolarHBondContact O-N 3.47Å; Y55-S59 PolarHBondContact O-OG 2.81Å; Y55-V128 HydrophobicContact CD1-CG1 4Å; Y55-V128 HydrophobicContact CE1-CG1 4.31Å; Y55-F132 HydrophobicContact CE1-CD2 4.11Å; Y55-F132 AromaticContact CZ-CD2 3.9Å; Y55-F132 AromaticContact CZ-CE2 3.95Å; Y55-F132 WeakPolarHBondContact OH-CD2 3.43Å; Y55-F132 WeakPolarHBondContact OH-CE2 3.26Å
56E87.1Confident87.7Confident29 Ų2943.7 Ų43.714%0.13623%0.226CC..Hα-helixtrans-60.4-42.4-177.4-161-165.4123.200112.5S52 S59 K63 F122S52-E56 PolarHBondContact O-N 3.11Å; E56-S59 PolarHBondContact O-OG 3.29Å; E56-K63 IonicContact OE1-NZ 3Å; E56-K63 PolarHBondContact OE1-NZ 3.13Å; E56-F122 HydrophobicContact CB-CE2 4.42Å; E56-F122 WeakPolarHBondContact OE2-CD2 3.04Å; E56-F122 WeakPolarHBondContact OE2-CE2 3.25Å
57V87.8Confident87.4Confident15 Ų1538 Ų389%0.09120%0.201CC..Hα-helixtrans-70.3-35178.5174.30000112.3Y6 A53 Y55 K63 R64 Y67 L75Y6-V57 HydrophobicContact CD2-CB 3.99Å; Y6-V57 HydrophobicContact CD2-CG1 3.78Å; Y6-V57 HydrophobicContact CD2-CG2 4.42Å; Y6-V57 HydrophobicContact CE2-CB 3.93Å; Y6-V57 HydrophobicContact CE2-CG1 3.78Å; Y6-V57 HydrophobicContact CE2-CG2 3.86Å; A53-V57 PolarHBondContact O-N 2.76Å; Y55-V57 VanDerWaalsContact C-N 3.34Å; Y55-V57 PolarHBondContact O-N 2.78Å; V57-K63 HydrophobicContact CG1-CB 4.3Å; V57-K63 CarbonylContact O-C 3.59Å; V57-K63 WeakPolarHBondContact O-CB 3.49Å; V57-R64 WeakPolarHBondContact O-CA 3.42Å; V57-R64 PolarHBondContact O-N 3.13Å; V57-Y67 HydrophobicContact CG1-CD2 4.23Å; V57-Y67 HydrophobicContact CG1-CG 3.94Å; V57-L75 HydrophobicContact CG1-CD1 4.29Å; V57-L75 HydrophobicContact CG2-CD1 4.35Å
58L88.1Confident87.1Confident0 Ų038.1 Ų38.10%021%0.205CC..Hα-helixtrans-90.5-16.1-176.7-65.6177.5000114Y7 L10 V21 A54 Y55 R64 Y67Y7-L58 HydrophobicContact CD1-CD1 3.95Å; Y7-L58 HydrophobicContact CD1-CD2 4.29Å; Y7-L58 HydrophobicContact CD2-CD2 4.45Å; Y7-L58 HydrophobicContact CE1-CD1 4.12Å; Y7-L58 HydrophobicContact CE1-CD2 3.72Å; Y7-L58 HydrophobicContact CE2-CD2 3.9Å; Y7-L58 HydrophobicContact CG-CD1 4.31Å; L10-L58 HydrophobicContact CD1-CD1 3.9Å; V21-L58 HydrophobicContact CG1-CB 3.81Å; V21-L58 HydrophobicContact CG2-CB 4.25Å; A54-L58 VanDerWaalsContact O-CB 3.29Å; A54-L58 WeakPolarHBondContact O-CB 3.22Å; A54-L58 VanDerWaalsContact O-CG 3.25Å; A54-L58 WeakPolarHBondContact O-CG 3.44Å; A54-L58 PolarHBondContact O-N 3.26Å; Y55-L58 PolarHBondContact O-N 2.78Å; L58-R64 HydrophobicContact CD2-CG 4.15Å; L58-Y67 HydrophobicContact CD2-CD1 4.27Å
59S87.2Confident86.6Confident19 Ų1942.1 Ų42.113%0.13323%0.233CC..Hα-helixtrans-82.5-30.117862.70000113.5Y55 E56Y55-S59 VanDerWaalsContact O-CB 3.24Å; Y55-S59 WeakPolarHBondContact O-CB 3.45Å; Y55-S59 PolarHBondContact O-N 3.47Å; Y55-S59 PolarHBondContact O-OG 2.81Å; E56-S59 PolarHBondContact O-OG 3.29Å
60D87.3Confident85.6Confident65 Ų6545.3 Ų45.335%0.34825%0.248SC..SBendtrans-90.3117.9177.1-69.9-29.6000110Q62 K63 R64D60-Q62 PolarHBondContact O-N 3.45Å; D60-Q62 VanDerWaalsContact O-N 3.12Å; D60-K63 HydrophobicContact CB-CB 4.02Å; D60-K63 HydrophobicContact CB-CD 3.92Å; D60-K63 HydrophobicContact CB-CG 3.9Å; D60-K63 PolarHBondContact O-N 2.97Å; D60-K63 VanDerWaalsContact O-N 3.09Å; D60-K63 WeakPolarHBondContact OD2-CD 3.48Å; D60-K63 WeakPolarHBondContact OD2-CE 3.35Å; D60-K63 IonicContact OD2-NZ 3.55Å; D60-K63 PolarHBondContact OD2-NZ 3.48Å; D60-R64 WeakPolarHBondContact O-CB 3.39Å; D60-R64 PolarHBondContact O-N 2.75Å
61P88.1Confident84.6Confident93 Ų9344.7 Ų44.760%0.60425%0.254SS*.Hα-helixtrans-61.7-28-17623.5-33.7000113S65P61-S65 VanDerWaalsContact O-CB 3.3Å; P61-S65 WeakPolarHBondContact O-CB 3.22Å; P61-S65 PolarHBondContact O-N 3.23Å
62Q85.8Confident83.2Confident157 Ų15747.9 Ų47.973%0.73427%0.265SS*.Hα-helixtrans-68.2-49.6173.6-68.7-177.7-37.600112.1D60 R64 S65 V66D60-Q62 PolarHBondContact O-N 3.45Å; D60-Q62 VanDerWaalsContact O-N 3.12Å; Q62-R64 VanDerWaalsContact C-N 3.34Å; Q62-S65 PolarHBondContact O-N 3.3Å; Q62-V66 WeakPolarHBondContact O-CG2 3.31Å; Q62-V66 PolarHBondContact O-N 3.3Å
63K84.4Confident81.8Confident12 Ų1251.1 Ų51.15%0.05228%0.283CS..Hα-helixtrans-64.5-41177.4-65.1179.6-175.2155.10111E56 V57 D60 V66 Y67 F120E56-K63 IonicContact OE1-NZ 3Å; E56-K63 PolarHBondContact OE1-NZ 3.13Å; V57-K63 HydrophobicContact CG1-CB 4.3Å; V57-K63 CarbonylContact O-C 3.59Å; V57-K63 WeakPolarHBondContact O-CB 3.49Å; D60-K63 HydrophobicContact CB-CB 4.02Å; D60-K63 HydrophobicContact CB-CD 3.92Å; D60-K63 HydrophobicContact CB-CG 3.9Å; D60-K63 PolarHBondContact O-N 2.97Å; D60-K63 VanDerWaalsContact O-N 3.09Å; D60-K63 WeakPolarHBondContact OD2-CD 3.48Å; D60-K63 WeakPolarHBondContact OD2-CE 3.35Å; D60-K63 IonicContact OD2-NZ 3.55Å; D60-K63 PolarHBondContact OD2-NZ 3.48Å; K63-V66 PolarHBondContact O-N 3.48Å; K63-Y67 WeakPolarHBondContact O-CB 3.46Å; K63-Y67 PolarHBondContact O-N 2.76Å; K63-F120 HydrophobicContact CD-CD2 4.36Å; K63-F120 HydrophobicContact CD-CE1 4.47Å; K63-F120 HydrophobicContact CD-CE2 4.2Å; K63-F120 HydrophobicContact CD-CZ 4.25Å; K63-F120 VanDerWaalsContact CE-CD2 3.49Å; K63-F120 HydrophobicContact CG-CE1 4.49Å; K63-F120 HydrophobicContact CG-CE2 3.89Å; K63-F120 HydrophobicContact CG-CZ 3.87Å
64R87Confident80.3Confident33 Ų3350 Ų5013%0.12527%0.274CS..Hα-helixtrans-59.1-47.2176.1-174.7175179.8172.83111.4Y7 K14 A16 D18 V57 L58 D60 Q62 Y67 D68Y7-R64 PolarHBondContact OH-NE 3.35Å; Y7-R64 VanDerWaalsContact OH-NE 3.09Å; Y7-R64 PolarHBondContact OH-NH2 2.97Å; K14-R64 PolarHBondContact O-NH2 2.73Å; K14-R64 VanDerWaalsContact O-NH2 3.12Å; A16-R64 PolarHBondContact O-NH1 2.82Å; A16-R64 PolarHBondContact O-NH2 3.46Å; D18-R64 IonicContact OD1-NH1 2.93Å; D18-R64 PolarHBondContact OD1-NH1 3.46Å; V57-R64 WeakPolarHBondContact O-CA 3.42Å; V57-R64 PolarHBondContact O-N 3.13Å; L58-R64 HydrophobicContact CD2-CG 4.15Å; D60-R64 WeakPolarHBondContact O-CB 3.39Å; D60-R64 PolarHBondContact O-N 2.75Å; Q62-R64 VanDerWaalsContact C-N 3.34Å; R64-Y67 PolarHBondContact O-N 2.69Å; R64-D68 IonicContact NE-OD2 3.23Å; R64-D68 WeakPolarHBondContact O-CB 3.49Å; R64-D68 VanDerWaalsContact O-CG 3.31Å; R64-D68 PolarHBondContact O-N 3.18Å
65S84Confident78.8Confident68 Ų6850.9 Ų50.948%0.47628%0.279SS..Hα-helixtrans-60.4-46.8175.1-179.20000112.4P61 Q62 Y67 D68 C69P61-S65 VanDerWaalsContact O-CB 3.3Å; P61-S65 WeakPolarHBondContact O-CB 3.22Å; P61-S65 PolarHBondContact O-N 3.23Å; Q62-S65 PolarHBondContact O-N 3.3Å; S65-Y67 VanDerWaalsContact C-N 3.31Å; S65-Y67 PolarHBondContact O-N 3.16Å; S65-D68 PolarHBondContact O-N 3Å; S65-C69 WeakPolarHBondContact O-CB 3.16Å; S65-C69 PolarHBondContact O-N 3.24Å; S65-C69 PolarHBondContact O-SG 3.08Å; S65-C69 VanDerWaalsContact O-SG 3.33Å
66V82.1Confident77.1Confident50 Ų5054.2 Ų54.230%0.30330%0.298SS..Hα-helixtrans-58.9-44.1176.1172.40000111.4Q62 K63 H70 L75Q62-V66 WeakPolarHBondContact O-CG2 3.31Å; Q62-V66 PolarHBondContact O-N 3.3Å; K63-V66 PolarHBondContact O-N 3.48Å; V66-H70 WeakPolarHBondContact O-CB 3.43Å; V66-H70 PolarHBondContact O-N 3.43Å; V66-H70 PolarHBondContact O-ND1 2.79Å; V66-L75 HydrophobicContact CG1-CD2 4.23Å
67Y81.5Confident75.4Confident18 Ų1861 Ų617%0.07132%0.322CS..Hα-helixtrans-66.5-40.5178.1179.6-102.9000113.4I4 C5 Y6 Y7 V57 L58 K63 R64 S65 G71 R72 L75I4-Y67 PolarHBondContact O-OH 3.13Å; C5-Y67 VanDerWaalsContact CA-OH 3.29Å; C5-Y67 WeakPolarHBondContact CA-OH 3.34Å; Y6-Y67 HydrophobicContact CD2-CD1 4.21Å; Y6-Y67 AromaticContact CD2-CD2 3.6Å; Y6-Y67 HydrophobicContact CD2-CD2 3.6Å; Y6-Y67 AromaticContact CD2-CE1 3.88Å; Y6-Y67 HydrophobicContact CD2-CE1 3.88Å; Y6-Y67 AromaticContact CD2-CE2 3.21Å; Y6-Y67 HydrophobicContact CD2-CE2 3.21Å; Y6-Y67 HydrophobicContact CD2-CG 4.07Å; Y6-Y67 AromaticContact CD2-CZ 3.36Å; Y6-Y67 AromaticContact CE2-CD2 3.61Å; Y6-Y67 HydrophobicContact CE2-CD2 3.61Å; Y6-Y67 AromaticContact CE2-CE2 3.38Å; Y6-Y67 HydrophobicContact CE2-CE2 3.38Å; Y6-Y67 HydrophobicContact CE2-CG 4.41Å; Y6-Y67 HydrophobicContact CG-CE2 4.24Å; Y6-Y67 PolarHBondContact N-OH 2.66Å; Y7-Y67 HydrophobicContact CD2-CE1 4.03Å; Y7-Y67 HydrophobicContact CE2-CD1 4.16Å; Y7-Y67 AromaticContact CE2-CE1 3.85Å; Y7-Y67 HydrophobicContact CE2-CE1 3.85Å; V57-Y67 HydrophobicContact CG1-CD2 4.23Å; V57-Y67 HydrophobicContact CG1-CG 3.94Å; L58-Y67 HydrophobicContact CD2-CD1 4.27Å; K63-Y67 WeakPolarHBondContact O-CB 3.46Å; K63-Y67 PolarHBondContact O-N 2.76Å; R64-Y67 PolarHBondContact O-N 2.69Å; S65-Y67 VanDerWaalsContact C-N 3.31Å; S65-Y67 PolarHBondContact O-N 3.16Å; Y67-G71 CarbonylContact O-C 3.54Å; Y67-G71 WeakPolarHBondContact O-CA 3.18Å; Y67-G71 PolarHBondContact O-N 2.66Å; Y67-R72 HydrophobicContact CE2-CB 3.99Å; Y67-L75 HydrophobicContact CD2-CD1 3.99Å
68D83Confident73.5Confident78 Ų7863.9 Ų63.942%0.41734%0.34SS..Hα-helixtrans-72.1-36.2178.9-73.2-28.1000111.5Y7 R64 S65Y7-D68 WeakPolarHBondContact CE2-OD1 2.99Å; Y7-D68 VanDerWaalsContact OH-CG 3.29Å; Y7-D68 PolarHBondContact OH-OD1 3.46Å; Y7-D68 PolarHBondContact OH-OD2 3.33Å; R64-D68 IonicContact NE-OD2 3.23Å; R64-D68 WeakPolarHBondContact O-CB 3.49Å; R64-D68 VanDerWaalsContact O-CG 3.31Å; R64-D68 PolarHBondContact O-N 3.18Å; S65-D68 PolarHBondContact O-N 3Å
69C78.7Confident71.5Confident93 Ų9371.1 Ų71.163%0.62837%0.374SS*.Hα-helixtrans-73.7-43.7177.3-72.30000113.8S65S65-C69 WeakPolarHBondContact O-CB 3.16Å; S65-C69 PolarHBondContact O-N 3.24Å; S65-C69 PolarHBondContact O-SG 3.08Å; S65-C69 VanDerWaalsContact O-SG 3.33Å
70H67.5Low69.6Low125 Ų12575.8 Ų75.858%0.57940%0.401SS*.Hα-helixtrans-115.5-0.3-169-58.393000113.7V66 G74V66-H70 WeakPolarHBondContact O-CB 3.43Å; V66-H70 PolarHBondContact O-N 3.43Å; V66-H70 PolarHBondContact O-ND1 2.79Å; H70-G74 PolarHBondContact O-N 3.45Å; H70-G74 VanDerWaalsContact O-N 3.09Å
71G69.3Low67.5Low29 Ų2980 Ų8030%0.29942%0.416SS..Hα-helixtrans67.1-170-17200000113Y67 D73 G74Y67-G71 CarbonylContact O-C 3.54Å; Y67-G71 WeakPolarHBondContact O-CA 3.18Å; Y67-G71 PolarHBondContact O-N 2.66Å; G71-D73 PolarHBondContact O-N 2.74Å; G71-G74 PolarHBondContact O-N 2.98Å; G71-G74 VanDerWaalsContact O-N 3.14Å
72R60.2Low65.2Low69 Ų6981.6 Ų81.626%0.2643%0.425SS..Hα-helixtrans-59.5-33.8172.5-166.3179.3-177.7-167.71.9111.9Y67 G74 L75Y67-R72 HydrophobicContact CE2-CB 3.99Å; R72-G74 PolarHBondContact O-N 3.37Å; R72-L75 PolarHBondContact O-N 2.87Å
73D60.5Low63Low68 Ų6880.2 Ų80.236%0.36443%0.432SS..Hα-helixtrans-63.7-27.1177.8-83.441.8000113.4G71 N76 R77G71-D73 PolarHBondContact O-N 2.74Å; D73-N76 PolarHBondContact O-N 2.72Å; D73-R77 WeakPolarHBondContact O-CB 3Å; D73-R77 WeakPolarHBondContact O-CD 3.36Å; D73-R77 WeakPolarHBondContact O-CG 3.02Å; D73-R77 PolarHBondContact O-N 3.06Å; D73-R77 IonicContact OD2-CZ 2.66Å; D73-R77 IonicContact OD2-NE 3.84Å; D73-R77 IonicContact OD2-NH2 2.71Å; D73-R77 PolarHBondContact OD2-NH2 3.23Å
74G57.5Low61.2Low3 Ų388 Ų883%0.03147%0.466CS..Hα-helixtrans-61.9-41.4175.400000114.1H70 G71 R72 N76 R77H70-G74 PolarHBondContact O-N 3.45Å; H70-G74 VanDerWaalsContact O-N 3.09Å; G71-G74 PolarHBondContact O-N 2.98Å; G71-G74 VanDerWaalsContact O-N 3.14Å; R72-G74 PolarHBondContact O-N 3.37Å; G74-N76 PolarHBondContact O-N 3.33Å; G74-N76 VanDerWaalsContact O-N 3.09Å; G74-R77 PolarHBondContact O-N 2.94Å; G74-R77 VanDerWaalsContact O-N 3.09Å
75L56.6Low59Low18 Ų1891.8 Ų91.89%0.09450%0.497CS..Hα-helixtrans-63.9-9.8174.1-64.6160.3000112.2Y6 V57 V66 Y67 R72 F118Y6-L75 HydrophobicContact CE2-CD1 4.15Å; V57-L75 HydrophobicContact CG1-CD1 4.29Å; V57-L75 HydrophobicContact CG2-CD1 4.35Å; V66-L75 HydrophobicContact CG1-CD2 4.23Å; Y67-L75 HydrophobicContact CD2-CD1 3.99Å; R72-L75 PolarHBondContact O-N 2.87Å; L75-F118 WeakPolarHBondContact O-CE2 3.35Å; L75-F118 WeakPolarHBondContact O-CZ 3.37Å
76N54.8Low57.1Low96 Ų9695.1 Ų95.151%0.51352%0.515SS..Hα-helixtrans-107.3-11.5175.9-590.5000112.8D73 G74 F115D73-N76 PolarHBondContact O-N 2.72Å; G74-N76 PolarHBondContact O-N 3.33Å; G74-N76 VanDerWaalsContact O-N 3.09Å; N76-F115 WeakPolarHBondContact OD1-CE1 3.45Å
77R51.4Low55.5Low171 Ų171103.6 Ų103.665%0.64554%0.542SS*.Hα-helixtrans-1121.3-165.4-71.7174.8-161.8-112.110.8114.6D73 G74 H79D73-R77 WeakPolarHBondContact O-CB 3Å; D73-R77 WeakPolarHBondContact O-CD 3.36Å; D73-R77 WeakPolarHBondContact O-CG 3.02Å; D73-R77 PolarHBondContact O-N 3.06Å; D73-R77 IonicContact OD2-CZ 2.66Å; D73-R77 IonicContact OD2-NE 3.84Å; D73-R77 IonicContact OD2-NH2 2.71Å; D73-R77 PolarHBondContact OD2-NH2 3.23Å; G74-R77 PolarHBondContact O-N 2.94Å; G74-R77 VanDerWaalsContact O-N 3.09Å; R77-H79 PolarHBondContact O-N 3.21Å
78T49.3Very low54.4Low76 Ų76107.8 Ų107.847%0.46657%0.571SS.*  trans-75.121.9175.152.50000114.6V80 F118T78-V80 PolarHBondContact O-N 3.01Å; T78-F118 WeakPolarHBondContact OG1-CE1 3.18Å; T78-F118 WeakPolarHBondContact OG1-CZ 3.3Å
79H46.3Very low53Low153 Ų153109.9 Ų109.971%0.70859%0.589SS**  trans-70.350.6150-175.9-95.1000110.4R77 K81R77-H79 PolarHBondContact O-N 3.21Å; H79-K81 PolarHBondContact O-N 3.45Å
80V46.4Very low51.5Low116 Ų116111.7 Ų111.770%0.70360%0.603SS**  trans-78.4100.5157176.50000104.5T78 T82T78-V80 PolarHBondContact O-N 3.01Å; V80-T82 PolarHBondContact O-N 3.12Å
81K42.3Very low50.8Low154 Ų154108.7 Ų108.767%0.6761%0.606SS**  trans-47.5112.3172.7-66.6-177180-176.80108.1H79 S83H79-K81 PolarHBondContact O-N 3.45Å; K81-S83 VanDerWaalsContact C-N 3.31Å; K81-S83 PolarHBondContact O-N 3.32Å
82T40Very low49.8Very low127 Ų127119 Ų11978%0.77964%0.635SS**  trans-64.398.6169.446.60000107.1V80 K84V80-T82 PolarHBondContact O-N 3.12Å; T82-K84 PolarHBondContact O-N 2.93Å
83S40.5Very low49.2Very low127 Ų127126.5 Ų126.589%0.88866%0.664SS**  trans-67.365.5171.5-61.60000109.8K81K81-S83 VanDerWaalsContact C-N 3.31Å; K81-S83 PolarHBondContact O-N 3.32Å
84K46.9Very low48.3Very low175 Ų175135 Ų13576%0.76169%0.691SS**  trans-139.865.7-172.6-158.1172.4-174.3177.90112.1T82 T86T82-K84 PolarHBondContact O-N 2.93Å; K84-T86 PolarHBondContact O-N 3.32Å
85S39.8Very low47.7Very low113 Ų113142.6 Ų142.679%0.7973%0.725SS**  trans42.372.6133.4-175.90000117.5
86T44.4Very low46.9Very low138 Ų138148.2 Ų148.285%0.84776%0.761SS**  trans-111.574.5153.842.80000109.8K84K84-T86 PolarHBondContact O-N 3.32Å
87R49.1Very low46.4Very low228 Ų228148 Ų14886%0.8677%0.772SS**  trans-56.5124165.1-169.4178.5-175-174.71.8107.3
88P57.5Low46.2Very low106 Ų106145.9 Ų145.969%0.68878%0.784SS**  trans-62.5131.5-176.224.9-33.6000109.3S90P88-S90 PolarHBondContact O-N 3.31Å
89P53.6Low46Very low123 Ų123145.6 Ų145.680%0.79980%0.795SS**  trans-69.8104.2176.327.4-32.1000108.9G91P89-G91 PolarHBondContact O-N 3.42Å
90S48.4Very low45.9Very low131 Ų131149.2 Ų149.292%0.91680%0.803SS**  trans-6674.4164.4440000109.4P88P88-S90 PolarHBondContact O-N 3.31Å
91G51.5Low45.8Very low62 Ų62152.5 Ų152.564%0.63981%0.808SS**  trans-128.953.1-155.200000115.3P89P89-G91 PolarHBondContact O-N 3.42Å
92R49.5Very low45.6Very low244 Ų244154.2 Ų154.292%0.92182%0.816SS**  trans51.5101.9144.5-149.8175.3-161.2173.94.5118.6
93R46.5Very low45.8Very low228 Ų228153.6 Ų153.686%0.8681%0.812SS**  trans-5.1128.5154.1-62.8177.5177.3176.1-2.3117.1
94R42.8Very low46Very low245 Ų245155.7 Ų155.793%0.92581%0.813SS**  -160.2158.6118.9-110.6172.5-67170.63.1112.2
95H44.2Very low45.8Very low164 Ų164153.1 Ų153.176%0.75981%0.808SS**  trans-86.1149.9-168.5-55.9-113.5000111.3
96T40.1Very low46.4Very low136 Ų136154.5 Ų154.583%0.83481%0.805SS**  175.5137.210437.80000113
97A43.9Very low46.4Very low91 Ų91156.7 Ų156.775%0.75280%0.803SS**  trans56.4125.815000000123.5
98S47.6Very low46.2Very low127 Ų127151.6 Ų151.689%0.88879%0.793SS**  trans89.9140.3146.578.10000121.2
99G44.5Very low45.8Very low69 Ų69151.2 Ų151.271%0.71179%0.789SS**  trans79.690.9176.200000114.9
100R45.5Very low45.6Very low229 Ų229148 Ų14886%0.86477%0.769SS**  52.697.460.2-55-162.6176.4179.5-0.4112.2
101F42.5Very low45.5Very low186 Ų186149 Ų14982%0.81676%0.764SS**  101.2109.172.2-85.2-60.1000111.3
102F38.2Very low45.5Very low190 Ų190152.8 Ų152.883%0.83376%0.763SS**  trans-8.7135165.1-55.9-96.8000120.6
103T44.2Very low45.4Very low114 Ų114144.7 Ų144.770%0.69974%0.735SS**  -162.7105.5128.139.20000108.7
104D44.5Very low45.6Very low171 Ų171139 Ų13991%0.91473%0.727SS**  trans-102.4105.6162.7-79.3-53.3000107.6
105D44.1Very low45.9Very low120 Ų120130 Ų13064%0.64270%0.695SS**  trans-99.4116.8-164.6-98.5-23.5000114F107D105-F107 PolarHBondContact O-N 2.6Å; D105-F107 VanDerWaalsContact O-N 3.08Å
106I51Low46.1Very low142 Ų142125.6 Ų125.673%0.72868%0.677SS**SBend73.18.6120.6-67176.3000119.2
107F45Very low46.6Very low184 Ų184126.9 Ų126.981%0.80768%0.679SS**  trans-137.268.3163.1-105.4-81000114D105 T109D105-F107 PolarHBondContact O-N 2.6Å; D105-F107 VanDerWaalsContact O-N 3.08Å; F107-T109 PolarHBondContact O-N 2.73Å; F107-T109 VanDerWaalsContact O-N 3.13Å
108D44.3Very low46.7Very low122 Ų122126.2 Ų126.265%0.65266%0.659SS**  trans-76.695.8168.3-166.7-3.8000110.9S110D108-S110 WeakPolarHBondContact OD1-CB 3.08Å; D108-S110 PolarHBondContact OD1-N 3.01Å; D108-S110 PolarHBondContact OD1-OG 3.1Å; D108-S110 PolarHBondContact OD2-OG 3.4Å
109T49.1Very low46.6Very low98 Ų98123.4 Ų123.460%0.60165%0.65SS**  trans-91.18.6171.924.80000113.3F107 D111 F112F107-T109 PolarHBondContact O-N 2.73Å; F107-T109 VanDerWaalsContact O-N 3.13Å; T109-D111 PolarHBondContact O-N 3.47Å; T109-F112 PolarHBondContact O-N 2.99Å
110S49.9Very low46.9Very low54 Ų54123.9 Ų123.938%0.37863%0.633SS.*G310 helixtrans-64.2-27.5179.7710000113.3D108 F112 F113D108-S110 WeakPolarHBondContact OD1-CB 3.08Å; D108-S110 PolarHBondContact OD1-N 3.01Å; D108-S110 PolarHBondContact OD1-OG 3.1Å; D108-S110 PolarHBondContact OD2-OG 3.4Å; S110-F112 PolarHBondContact O-N 3.22Å; S110-F112 VanDerWaalsContact O-N 3.1Å; S110-F113 CarbonylContact O-C 3.54Å; S110-F113 PolarHBondContact O-N 3.25Å
111D47.6Very low47.2Very low154 Ų154117.9 Ų117.982%0.82462%0.622SS**G310 helixtrans-60.1-19.6177.4-81.5-26.5000114.6T109T109-D111 PolarHBondContact O-N 3.47Å
112F50Low47.7Very low140 Ų140111.5 Ų111.561%0.61459%0.594SS**G310 helixtrans-98.4-21.6-178.4-161.9-106.2000113.9T109 S110T109-F112 PolarHBondContact O-N 2.99Å; S110-F112 PolarHBondContact O-N 3.22Å; S110-F112 VanDerWaalsContact O-N 3.1Å
113F48.1Very low48.9Very low74 Ų74107.4 Ų107.433%0.32557%0.573SS.*  trans-14596.6178-73.7-61.3000111.3K49 S110 F115K49-F113 HydrophobicContact CD-CZ 4.38Å; S110-F113 CarbonylContact O-C 3.54Å; S110-F113 PolarHBondContact O-N 3.25Å; F113-F115 HydrophobicContact CB-CD2 4.15Å; F113-F115 HydrophobicContact CD1-CD2 4.09Å; F113-F115 HydrophobicContact CD1-CE2 4.15Å; F113-F115 PolarHBondContact O-N 3.29Å
114P51.5Low49.9Very low108 Ų108107.1 Ų107.170%0.70157%0.567SS**THydrogen-bonded Turntrans-75.834.7-178.634-38.5000113.3
115F49.2Very low51.1Low58 Ų5899.9 Ų99.925%0.25453%0.53SS..THydrogen-bonded Turntrans-110.4-7.2-176.7-54.5-69.7000112.9N76 F113 D117N76-F115 WeakPolarHBondContact OD1-CE1 3.45Å; F113-F115 HydrophobicContact CB-CD2 4.15Å; F113-F115 HydrophobicContact CD1-CD2 4.09Å; F113-F115 HydrophobicContact CD1-CE2 4.15Å; F113-F115 PolarHBondContact O-N 3.29Å; F115-D117 PolarHBondContact O-N 2.81Å
116N47.4Very low52.2Low71 Ų7199.5 Ų99.538%0.3852%0.524SS..G310 helixtrans-75.8-12.5-173.9-86-1000115.2F118 F122N116-F118 PolarHBondContact O-N 3.18Å; N116-F118 VanDerWaalsContact O-N 3.12Å; N116-F122 PolarHBondContact OD1-N 3.31Å
117D51.5Low53Low162 Ų16296.4 Ų96.487%0.86651%0.506SS*.G310 helixtrans-71.5-1.5-177.5-87.5-25.4000115.1F115 G119F115-D117 PolarHBondContact O-N 2.81Å; D117-G119 VanDerWaalsContact C-N 3.29Å; D117-G119 PolarHBondContact O-N 3.09Å
118F44Very low54.1Low77 Ų7788.2 Ų88.234%0.33847%0.472SS..G310 helixtrans-80.6-5.1178.5-80.9-93.9000114.6L75 T78 N116 F120L75-F118 WeakPolarHBondContact O-CE2 3.35Å; L75-F118 WeakPolarHBondContact O-CZ 3.37Å; T78-F118 WeakPolarHBondContact OG1-CE1 3.18Å; T78-F118 WeakPolarHBondContact OG1-CZ 3.3Å; N116-F118 PolarHBondContact O-N 3.18Å; N116-F118 VanDerWaalsContact O-N 3.12Å; F118-F120 HydrophobicContact CB-CB 4.07Å; F118-F120 HydrophobicContact CB-CD2 3.35Å; F118-F120 HydrophobicContact CB-CE2 4.01Å; F118-F120 HydrophobicContact CB-CG 3.93Å; F118-F120 HydrophobicContact CD1-CD2 4.25Å; F118-F120 HydrophobicContact CD1-CE2 4.2Å; F118-F120 AromaticContact CG-CD2 3.96Å; F118-F120 HydrophobicContact CG-CD2 3.96Å; F118-F120 HydrophobicContact CG-CE2 4.37Å; F118-F120 PolarHBondContact O-N 3.04Å
119G47.4Very low55.2Low69 Ų6983.9 Ų83.971%0.71145%0.447SS*.SBendtrans690.5-159.100000113D117 T121D117-G119 VanDerWaalsContact C-N 3.29Å; D117-G119 PolarHBondContact O-N 3.09Å; G119-T121 PolarHBondContact O-N 3.41Å
120F49.8Very low56.4Low78 Ų7885.2 Ų85.234%0.34244%0.441SS..  trans-79.990.9159.8-59.2-44.8000107.3K63 F118 F122K63-F120 HydrophobicContact CD-CD2 4.36Å; K63-F120 HydrophobicContact CD-CE1 4.47Å; K63-F120 HydrophobicContact CD-CE2 4.2Å; K63-F120 HydrophobicContact CD-CZ 4.25Å; K63-F120 VanDerWaalsContact CE-CD2 3.49Å; K63-F120 HydrophobicContact CG-CE1 4.49Å; K63-F120 HydrophobicContact CG-CE2 3.89Å; K63-F120 HydrophobicContact CG-CZ 3.87Å; F118-F120 HydrophobicContact CB-CB 4.07Å; F118-F120 HydrophobicContact CB-CD2 3.35Å; F118-F120 HydrophobicContact CB-CE2 4.01Å; F118-F120 HydrophobicContact CB-CG 3.93Å; F118-F120 HydrophobicContact CD1-CD2 4.25Å; F118-F120 HydrophobicContact CD1-CE2 4.2Å; F118-F120 AromaticContact CG-CD2 3.96Å; F118-F120 HydrophobicContact CG-CD2 3.96Å; F118-F120 HydrophobicContact CG-CE2 4.37Å; F118-F120 PolarHBondContact O-N 3.04Å; F120-F122 PolarHBondContact O-N 3.01Å
121T52.9Low57.3Low104 Ų10486.5 Ų86.564%0.63844%0.441SS*.  trans-64103.6164.653.50000106.8G119 R123G119-T121 PolarHBondContact O-N 3.41Å; T121-R123 PolarHBondContact O-N 2.93Å
122F52.5Low58.2Low52 Ų5280.9 Ų80.923%0.22841%0.409CS..  trans-60.4108.4173.3-172.5-102.5000107.5A53 E56 N116 F120 P125A53-F122 HydrophobicContact CB-CE2 4.09Å; A53-F122 HydrophobicContact CB-CZ 4.12Å; E56-F122 HydrophobicContact CB-CE2 4.42Å; E56-F122 WeakPolarHBondContact OE2-CD2 3.04Å; E56-F122 WeakPolarHBondContact OE2-CE2 3.25Å; N116-F122 PolarHBondContact OD1-N 3.31Å; F120-F122 PolarHBondContact O-N 3.01Å; F122-P125 HydrophobicContact CE1-CG 4.05Å
123R62.8Low59.1Low103 Ų10374.5 Ų74.539%0.38938%0.381SS..  trans-64.4150.5-178.6-71.8-176.1-176.2-173.6-4.1108.6T121 E127 V128 E131T121-R123 PolarHBondContact O-N 2.93Å; R123-E127 HydrophobicContact CB-CB 4.38Å; R123-V128 HydrophobicContact CB-CG2 3.64Å; R123-E131 IonicContact CZ-OE2 3.68Å; R123-E131 IonicContact NH1-OE1 3.56Å; R123-E131 PolarHBondContact NH1-OE1 3.03Å; R123-E131 IonicContact NH1-OE2 3.23Å; R123-E131 PolarHBondContact NH1-OE2 3.12Å
124D66.2Low60Low108 Ų10874.2 Ų74.258%0.57839%0.389SS*.  trans-49.9134.5172.4-79.9-37.1000108.5E126 E127 V128D124-E126 PolarHBondContact O-N 2.71Å; D124-E127 HydrophobicContact CB-CB 3.9Å; D124-E127 CarbonylContact O-C 3.45Å; D124-E127 VanDerWaalsContact O-CA 3.3Å; D124-E127 WeakPolarHBondContact O-CA 3.44Å; D124-E127 WeakPolarHBondContact O-CB 3.43Å; D124-E127 PolarHBondContact O-N 2.88Å; D124-V128 PolarHBondContact O-N 3.09Å
125P68.1Low60.6Low20 Ų2076 Ų7613%0.1339%0.385CS..Hα-helixtrans-52.4-33.5176.8-31.337.2000112.6F48 K49 F122 F129F48-P125 HydrophobicContact CD1-CB 3.56Å; F48-P125 HydrophobicContact CE1-CB 3.45Å; F48-P125 VanDerWaalsContact CE1-CB 3.45Å; F48-P125 HydrophobicContact CZ-CB 4.49Å; K49-P125 HydrophobicContact CG-CG 4.08Å; F122-P125 HydrophobicContact CE1-CG 4.05Å; P125-F129 VanDerWaalsContact O-CB 3.27Å; P125-F129 WeakPolarHBondContact O-CB 3.25Å; P125-F129 PolarHBondContact O-N 3.02Å
126E68.6Low61Low112 Ų11275.6 Ų75.652%0.52338%0.384SS..Hα-helixtrans-69.6-32.1171.3-63.4-171.2-178.600113.3F48 D124 R130F48-E126 HydrophobicContact CE1-CG 4.44Å; D124-E126 PolarHBondContact O-N 2.71Å; E126-R130 WeakPolarHBondContact O-CB 3.38Å; E126-R130 WeakPolarHBondContact O-CG 3.38Å; E126-R130 PolarHBondContact O-N 3.36Å
127E66.8Low61.4Low76 Ų7675.2 Ų75.236%0.35538%0.381SS..Hα-helixtrans-73.8-42.8173.1-170.9-178.3-153.100112.3R123 D124 F129 R130 E131R123-E127 HydrophobicContact CB-CB 4.38Å; D124-E127 HydrophobicContact CB-CB 3.9Å; D124-E127 CarbonylContact O-C 3.45Å; D124-E127 VanDerWaalsContact O-CA 3.3Å; D124-E127 WeakPolarHBondContact O-CA 3.44Å; D124-E127 WeakPolarHBondContact O-CB 3.43Å; D124-E127 PolarHBondContact O-N 2.88Å; E127-F129 PolarHBondContact O-N 2.81Å; E127-R130 PolarHBondContact O-N 3.42Å; E127-R130 VanDerWaalsContact O-N 3.16Å; E127-E131 PolarHBondContact O-N 2.99Å
128V67.3Low61.7Low13 Ų1372.8 Ų72.88%0.07937%0.368CS..Hα-helixtrans-56.7-43.9170.9-1770000109.4Y55 R123 D124 F132Y55-V128 HydrophobicContact CD1-CG1 4Å; Y55-V128 HydrophobicContact CE1-CG1 4.31Å; R123-V128 HydrophobicContact CB-CG2 3.64Å; D124-V128 PolarHBondContact O-N 3.09Å; V128-F132 WeakPolarHBondContact O-CB 3.46Å; V128-F132 PolarHBondContact O-N 3.24Å
129F69.2Low62.2Low30 Ų3075.7 Ų75.713%0.13238%0.384CS..Hα-helixtrans-61.4-52.2173.3-173.7-82.1000111.4Y25 A29 L30 H33 F48 P125 E127 E131 F132 F133Y25-F129 PolarHBondContact OH-N 3.34Å; A29-F129 HydrophobicContact CB-CD2 4Å; A29-F129 HydrophobicContact CB-CE2 4.12Å; L30-F129 HydrophobicContact CD2-CZ 4.44Å; H33-F129 AromaticContact CD2-CE2 3.77Å; H33-F129 AromaticContact CD2-CZ 3.7Å; F48-F129 AromaticContact CE2-CD2 3.86Å; F48-F129 HydrophobicContact CE2-CD2 3.86Å; F48-F129 HydrophobicContact CZ-CB 3.87Å; F48-F129 AromaticContact CZ-CD2 3.85Å; F48-F129 HydrophobicContact CZ-CD2 3.85Å; F48-F129 HydrophobicContact CZ-CG 4.12Å; P125-F129 VanDerWaalsContact O-CB 3.27Å; P125-F129 WeakPolarHBondContact O-CB 3.25Å; P125-F129 PolarHBondContact O-N 3.02Å; E127-F129 PolarHBondContact O-N 2.81Å; F129-E131 PolarHBondContact O-N 3.19Å; F129-F132 PolarHBondContact O-N 3.44Å; F129-F133 HydrophobicContact CB-CD2 4.31Å; F129-F133 HydrophobicContact CD1-CB 4.21Å; F129-F133 AromaticContact CD1-CD2 3.83Å; F129-F133 HydrophobicContact CD1-CD2 3.83Å; F129-F133 HydrophobicContact CD1-CG 4.32Å; F129-F133 AromaticContact CD2-CD2 3.3Å; F129-F133 HydrophobicContact CD2-CD2 3.3Å; F129-F133 AromaticContact CD2-CE2 3.27Å; F129-F133 HydrophobicContact CD2-CE2 3.27Å; F129-F133 HydrophobicContact CD2-CG 4.34Å; F129-F133 HydrophobicContact CD2-CZ 4.27Å; F129-F133 HydrophobicContact CE1-CB 4.02Å; F129-F133 AromaticContact CE1-CD2 3.88Å; F129-F133 HydrophobicContact CE1-CD2 3.88Å; F129-F133 HydrophobicContact CE1-CG 4.06Å; F129-F133 AromaticContact CE2-CD2 3.37Å; F129-F133 HydrophobicContact CE2-CD2 3.37Å; F129-F133 HydrophobicContact CE2-CE1 4.5Å; F129-F133 AromaticContact CE2-CE2 3.22Å; F129-F133 HydrophobicContact CE2-CE2 3.22Å; F129-F133 HydrophobicContact CE2-CG 4.09Å; F129-F133 AromaticContact CE2-CZ 3.8Å; F129-F133 HydrophobicContact CE2-CZ 3.8Å; F129-F133 AromaticContact CG-CD2 3.54Å; F129-F133 HydrophobicContact CG-CD2 3.54Å; F129-F133 HydrophobicContact CG-CE2 4Å; F129-F133 HydrophobicContact CG-CG 4.45Å; F129-F133 HydrophobicContact CZ-CB 4.37Å; F129-F133 HydrophobicContact CZ-CD1 4.47Å; F129-F133 AromaticContact CZ-CD2 3.65Å; F129-F133 HydrophobicContact CZ-CD2 3.65Å; F129-F133 AromaticContact CZ-CE2 3.91Å; F129-F133 HydrophobicContact CZ-CE2 3.91Å; F129-F133 AromaticContact CZ-CG 3.93Å; F129-F133 HydrophobicContact CZ-CG 3.93Å; F129-F133 HydrophobicContact CZ-CZ 4.35Å; F129-F133 WeakPolarHBondContact O-CA 3.14Å; F129-F133 WeakPolarHBondContact O-CB 3.4Å; F129-F133 VanDerWaalsContact O-CD2 3.32Å; F129-F133 WeakPolarHBondContact O-CD2 3.32Å; F129-F133 PolarHBondContact O-N 2.96Å
130R73.1Confident62.5Low127 Ų12776.3 Ų76.348%0.47937%0.37SS..Hα-helixtrans-58.2-46.8179-76.6179.6-45.2-136.96.1111.9E126 E127 F132 S134E126-R130 WeakPolarHBondContact O-CB 3.38Å; E126-R130 WeakPolarHBondContact O-CG 3.38Å; E126-R130 PolarHBondContact O-N 3.36Å; E127-R130 PolarHBondContact O-N 3.42Å; E127-R130 VanDerWaalsContact O-N 3.16Å; R130-F132 PolarHBondContact O-N 2.85Å; R130-S134 WeakPolarHBondContact O-CA 3.21Å; R130-S134 WeakPolarHBondContact O-CB 3.46Å; R130-S134 PolarHBondContact O-N 3.47Å; R130-S134 PolarHBondContact O-OG 2.69Å
131E69.6Low62.8Low81 Ų8177 Ų7738%0.37938%0.376SS..Hα-helixtrans-62.8-46.5178.6179.7179.8-148.100111.8R123 E127 F129 K135R123-E131 IonicContact CZ-OE2 3.68Å; R123-E131 IonicContact NH1-OE1 3.56Å; R123-E131 PolarHBondContact NH1-OE1 3.03Å; R123-E131 IonicContact NH1-OE2 3.23Å; R123-E131 PolarHBondContact NH1-OE2 3.12Å; E127-E131 PolarHBondContact O-N 2.99Å; F129-E131 PolarHBondContact O-N 3.19Å; E131-K135 IonicContact OE1-NZ 2.77Å; E131-K135 PolarHBondContact OE1-NZ 2.59Å
132F66.7Low63Low35 Ų3574.4 Ų74.415%0.15437%0.366CS..Hα-helixtrans-67.3-43.9-177.8-171.5-75.4000111.4R22 Y25 R26 Y55 V128 F129 R130 H136R22-F132 HydrophobicContact CB-CE2 4.39Å; R22-F132 HydrophobicContact CB-CZ 4.44Å; R22-F132 HydrophobicContact CG-CE2 4.35Å; Y25-F132 HydrophobicContact CD1-CD1 4.39Å; Y25-F132 HydrophobicContact CD1-CD2 4.24Å; Y25-F132 HydrophobicContact CD1-CE2 4.48Å; Y25-F132 HydrophobicContact CD1-CG 4.22Å; Y25-F132 HydrophobicContact CE1-CB 4.18Å; Y25-F132 HydrophobicContact CE1-CD1 4.24Å; Y25-F132 HydrophobicContact CE1-CD2 4.25Å; Y25-F132 AromaticContact CE1-CG 3.91Å; Y25-F132 HydrophobicContact CE1-CG 3.91Å; R26-F132 HydrophobicContact CG-CD1 4.2Å; R26-F132 HydrophobicContact CG-CE1 3.26Å; R26-F132 HydrophobicContact CG-CZ 3.72Å; Y55-F132 HydrophobicContact CE1-CD2 4.11Å; Y55-F132 AromaticContact CZ-CD2 3.9Å; Y55-F132 AromaticContact CZ-CE2 3.95Å; Y55-F132 WeakPolarHBondContact OH-CD2 3.43Å; Y55-F132 WeakPolarHBondContact OH-CE2 3.26Å; V128-F132 WeakPolarHBondContact O-CB 3.46Å; V128-F132 PolarHBondContact O-N 3.24Å; F129-F132 PolarHBondContact O-N 3.44Å; R130-F132 PolarHBondContact O-N 2.85Å; F132-H136 HydrophobicContact CE1-CB 4.47Å; F132-H136 VanDerWaalsContact O-CB 3.26Å; F132-H136 WeakPolarHBondContact O-CB 3.49Å; F132-H136 PolarHBondContact O-N 3.41Å
133F68.2Low62.5Low7 Ų778 Ų783%0.03138%0.382CS..Hα-helixtrans-93-21.2-174-72.9-81.5000114.3Y25 R26 A29 L30 F129 H136 M137Y25-F133 HydrophobicContact CE1-CE2 4.12Å; R26-F133 HydrophobicContact CB-CZ 4.34Å; R26-F133 HydrophobicContact CG-CE1 4.25Å; R26-F133 HydrophobicContact CG-CZ 4.2Å; A29-F133 HydrophobicContact CB-CE2 3.92Å; A29-F133 HydrophobicContact CB-CZ 4.17Å; L30-F133 HydrophobicContact CD1-CE1 4.21Å; L30-F133 HydrophobicContact CD2-CE1 4.33Å; L30-F133 HydrophobicContact CG-CE1 4.07Å; L30-F133 HydrophobicContact CG-CZ 4.06Å; F129-F133 HydrophobicContact CB-CD2 4.31Å; F129-F133 HydrophobicContact CD1-CB 4.21Å; F129-F133 AromaticContact CD1-CD2 3.83Å; F129-F133 HydrophobicContact CD1-CD2 3.83Å; F129-F133 HydrophobicContact CD1-CG 4.32Å; F129-F133 AromaticContact CD2-CD2 3.3Å; F129-F133 HydrophobicContact CD2-CD2 3.3Å; F129-F133 AromaticContact CD2-CE2 3.27Å; F129-F133 HydrophobicContact CD2-CE2 3.27Å; F129-F133 HydrophobicContact CD2-CG 4.34Å; F129-F133 HydrophobicContact CD2-CZ 4.27Å; F129-F133 HydrophobicContact CE1-CB 4.02Å; F129-F133 AromaticContact CE1-CD2 3.88Å; F129-F133 HydrophobicContact CE1-CD2 3.88Å; F129-F133 HydrophobicContact CE1-CG 4.06Å; F129-F133 AromaticContact CE2-CD2 3.37Å; F129-F133 HydrophobicContact CE2-CD2 3.37Å; F129-F133 HydrophobicContact CE2-CE1 4.5Å; F129-F133 AromaticContact CE2-CE2 3.22Å; F129-F133 HydrophobicContact CE2-CE2 3.22Å; F129-F133 HydrophobicContact CE2-CG 4.09Å; F129-F133 AromaticContact CE2-CZ 3.8Å; F129-F133 HydrophobicContact CE2-CZ 3.8Å; F129-F133 AromaticContact CG-CD2 3.54Å; F129-F133 HydrophobicContact CG-CD2 3.54Å; F129-F133 HydrophobicContact CG-CE2 4Å; F129-F133 HydrophobicContact CG-CG 4.45Å; F129-F133 HydrophobicContact CZ-CB 4.37Å; F129-F133 HydrophobicContact CZ-CD1 4.47Å; F129-F133 AromaticContact CZ-CD2 3.65Å; F129-F133 HydrophobicContact CZ-CD2 3.65Å; F129-F133 AromaticContact CZ-CE2 3.91Å; F129-F133 HydrophobicContact CZ-CE2 3.91Å; F129-F133 AromaticContact CZ-CG 3.93Å; F129-F133 HydrophobicContact CZ-CG 3.93Å; F129-F133 HydrophobicContact CZ-CZ 4.35Å; F129-F133 WeakPolarHBondContact O-CA 3.14Å; F129-F133 WeakPolarHBondContact O-CB 3.4Å; F129-F133 VanDerWaalsContact O-CD2 3.32Å; F129-F133 WeakPolarHBondContact O-CD2 3.32Å; F129-F133 PolarHBondContact O-N 2.96Å; F133-H136 PolarHBondContact O-N 2.8Å; F133-M137 HydrophobicContact CB-CG 4.02Å; F133-M137 HydrophobicContact CD1-CE 3.55Å; F133-M137 HydrophobicContact CD1-CG 4.12Å; F133-M137 HydrophobicContact CD1-SD 4.29Å; F133-M137 HydrophobicContact CE1-CE 3.9Å; F133-M137 HydrophobicContact CG-CE 4.49Å; F133-M137 WeakPolarHBondContact O-CA 3.19Å; F133-M137 WeakPolarHBondContact O-CB 3.43Å; F133-M137 WeakPolarHBondContact O-CG 3.05Å; F133-M137 PolarHBondContact O-N 3.1Å
134S67.2Low62Low68 Ų6878.9 Ų78.948%0.47639%0.392SS..Hα-helixtrans-61.8-54.5167.4-72.10000109.2R130 H136 D138R130-S134 WeakPolarHBondContact O-CA 3.21Å; R130-S134 WeakPolarHBondContact O-CB 3.46Å; R130-S134 PolarHBondContact O-N 3.47Å; R130-S134 PolarHBondContact O-OG 2.69Å; S134-H136 PolarHBondContact O-N 3.29Å; S134-D138 WeakPolarHBondContact O-CB 3.1Å; S134-D138 PolarHBondContact O-N 2.86Å; S134-D138 VanDerWaalsContact O-N 3.13Å
135K63.9Low61.2Low146 Ų14679.6 Ų79.664%0.63540%0.395SS*.Hα-helixtrans-59.3-32.7178.1-66170.3-175.6162.40113.2E131E131-K135 IonicContact OE1-NZ 2.77Å; E131-K135 PolarHBondContact OE1-NZ 2.59Å
136H58.2Low60.5Low49 Ų4982.3 Ų82.323%0.22741%0.412CS..Hα-helixtrans-100-25.7-174.3-162.358.9000115R26 F132 F133 S134 M139 M140R26-H136 VanDerWaalsContact CD-CD2 3.43Å; R26-H136 WeakPolarHBondContact CD-CD2 3.11Å; R26-H136 WeakPolarHBondContact CD-NE2 3.27Å; F132-H136 HydrophobicContact CE1-CB 4.47Å; F132-H136 VanDerWaalsContact O-CB 3.26Å; F132-H136 WeakPolarHBondContact O-CB 3.49Å; F132-H136 PolarHBondContact O-N 3.41Å; F133-H136 PolarHBondContact O-N 2.8Å; S134-H136 PolarHBondContact O-N 3.29Å; H136-M139 PolarHBondContact O-N 3.14Å; H136-M140 WeakPolarHBondContact O-CB 3.21Å; H136-M140 WeakPolarHBondContact O-CG 3.38Å; H136-M140 PolarHBondContact O-N 3.21Å
137M56.2Low59.5Low63 Ų6378.3 Ų78.331%0.3140%0.398SS..Hα-helixtrans-76.6-31.2171.1-66.7-59.3-167.500111L30 F133 M139 M140 N141L30-M137 HydrophobicContact CD2-CE 3.9Å; F133-M137 HydrophobicContact CB-CG 4.02Å; F133-M137 HydrophobicContact CD1-CE 3.55Å; F133-M137 HydrophobicContact CD1-CG 4.12Å; F133-M137 HydrophobicContact CD1-SD 4.29Å; F133-M137 HydrophobicContact CE1-CE 3.9Å; F133-M137 HydrophobicContact CG-CE 4.49Å; F133-M137 WeakPolarHBondContact O-CA 3.19Å; F133-M137 WeakPolarHBondContact O-CB 3.43Å; F133-M137 WeakPolarHBondContact O-CG 3.05Å; F133-M137 PolarHBondContact O-N 3.1Å; M137-M139 VanDerWaalsContact C-N 3.29Å; M137-M139 PolarHBondContact O-N 3.19Å; M137-M140 PolarHBondContact O-N 3.38Å; M137-M140 HydrophobicContact SD-CB 4.44Å; M137-N141 WeakPolarHBondContact O-CB 3.38Å; M137-N141 PolarHBondContact O-N 2.99Å; M137-N141 PolarHBondContact O-ND2 3Å; M137-N141 VanDerWaalsContact O-ND2 3.13Å
138D56.6Low58.6Low111 Ų11177.1 Ų77.159%0.59441%0.406SS*.Hα-helixtrans-61.3-41.3169-68-22000110.6S134 A142S134-D138 WeakPolarHBondContact O-CB 3.1Å; S134-D138 PolarHBondContact O-N 2.86Å; S134-D138 VanDerWaalsContact O-N 3.13Å; D138-A142 WeakPolarHBondContact O-CB 3.49Å; D138-A142 PolarHBondContact O-N 2.92Å
139M54.6Low57.6Low138 Ų13882.9 Ų82.968%0.6844%0.436SS*.Hα-helixtrans-70.2-37.9172-95.9-155.9176.300114.2H136 M137 F143H136-M139 PolarHBondContact O-N 3.14Å; M137-M139 VanDerWaalsContact C-N 3.29Å; M137-M139 PolarHBondContact O-N 3.19Å; M139-F143 WeakPolarHBondContact O-CB 3.49Å; M139-F143 PolarHBondContact O-N 3.17Å
140M53.6Low56.2Low82 Ų8289.8 Ų89.840%0.40447%0.466SS..Hα-helixtrans-74.6-32.8178.9-80.2-70.5-166.500112.3H136 M137 F143 M144H136-M140 WeakPolarHBondContact O-CB 3.21Å; H136-M140 WeakPolarHBondContact O-CG 3.38Å; H136-M140 PolarHBondContact O-N 3.21Å; M137-M140 PolarHBondContact O-N 3.38Å; M137-M140 HydrophobicContact SD-CB 4.44Å; M140-F143 PolarHBondContact O-N 2.84Å; M140-M144 VanDerWaalsContact O-CB 3.25Å; M140-M144 WeakPolarHBondContact O-CB 3.35Å; M140-M144 WeakPolarHBondContact O-CG 3.49Å; M140-M144 PolarHBondContact O-N 2.99Å
141N56.7Low54.9Low91 Ų9194.5 Ų94.549%0.48748%0.484SS..Hα-helixtrans-67.2-49.3169.9-68-26000109.2M137 F143 M144 D145M137-N141 WeakPolarHBondContact O-CB 3.38Å; M137-N141 PolarHBondContact O-N 2.99Å; M137-N141 PolarHBondContact O-ND2 3Å; M137-N141 VanDerWaalsContact O-ND2 3.13Å; N141-F143 VanDerWaalsContact C-N 3.27Å; N141-F143 PolarHBondContact O-N 3.43Å; N141-M144 PolarHBondContact O-N 3.44Å; N141-M144 VanDerWaalsContact O-N 3.11Å; N141-D145 VanDerWaalsContact O-CB 3.31Å; N141-D145 WeakPolarHBondContact O-CB 3.24Å; N141-D145 PolarHBondContact O-N 2.78Å
142A56.2Low53.5Low51 Ų5195.2 Ų95.242%0.42150%0.497SS..Hα-helixtrans-58.7-36.2173.900000113.1D138 T146D138-A142 WeakPolarHBondContact O-CB 3.49Å; D138-A142 PolarHBondContact O-N 2.92Å; A142-T146 WeakPolarHBondContact O-CB 3.46Å; A142-T146 WeakPolarHBondContact O-CG2 3.46Å; A142-T146 PolarHBondContact O-N 3.4Å; A142-T146 PolarHBondContact O-OG1 2.97Å
143F42.8Very low52.2Low128 Ų128101.9 Ų101.956%0.56153%0.529SS*.Hα-helixtrans-74.5-35.2175-178.7-100.2000112.7M139 M140 N141 T146 A147M139-F143 WeakPolarHBondContact O-CB 3.49Å; M139-F143 PolarHBondContact O-N 3.17Å; M140-F143 PolarHBondContact O-N 2.84Å; N141-F143 VanDerWaalsContact C-N 3.27Å; N141-F143 PolarHBondContact O-N 3.43Å; F143-T146 WeakPolarHBondContact CA-OG1 3.15Å; F143-T146 PolarHBondContact O-OG1 3.21Å; F143-A147 HydrophobicContact CE1-CB 4.32Å; F143-A147 HydrophobicContact CZ-CB 4.43Å; F143-A147 WeakPolarHBondContact O-CA 3.35Å; F143-A147 WeakPolarHBondContact O-CB 3.13Å; F143-A147 PolarHBondContact O-N 3.26Å
144M51.7Low51Low121 Ų121106.8 Ų106.860%0.59656%0.564SS**Hα-helixtrans-71.4-36.6174-69-101.864.700111M140 N141 G148M140-M144 VanDerWaalsContact O-CB 3.25Å; M140-M144 WeakPolarHBondContact O-CB 3.35Å; M140-M144 WeakPolarHBondContact O-CG 3.49Å; M140-M144 PolarHBondContact O-N 2.99Å; N141-M144 PolarHBondContact O-N 3.44Å; N141-M144 VanDerWaalsContact O-N 3.11Å; M144-G148 PolarHBondContact O-N 3.12Å
145D49.4Very low49.5Very low122 Ų122112.5 Ų112.565%0.65258%0.583SS**Hα-helixtrans-67.9-41.1174.8-67.7-23.6000111.3N141 L149N141-D145 VanDerWaalsContact O-CB 3.31Å; N141-D145 WeakPolarHBondContact O-CB 3.24Å; N141-D145 PolarHBondContact O-N 2.78Å; D145-L149 PolarHBondContact O-N 2.81Å
146T53.1Low48.3Very low77 Ų77112 Ų11247%0.47259%0.586SS.*Hα-helixtrans-79.3-32.9174.747.60000113.9A142 F143 G148 L149 F150A142-T146 WeakPolarHBondContact O-CB 3.46Å; A142-T146 WeakPolarHBondContact O-CG2 3.46Å; A142-T146 PolarHBondContact O-N 3.4Å; A142-T146 PolarHBondContact O-OG1 2.97Å; F143-T146 WeakPolarHBondContact CA-OG1 3.15Å; F143-T146 PolarHBondContact O-OG1 3.21Å; T146-G148 VanDerWaalsContact C-N 3.3Å; T146-L149 WeakPolarHBondContact O-CA 3.38Å; T146-L149 VanDerWaalsContact O-CB 3.22Å; T146-L149 WeakPolarHBondContact O-CB 3.4Å; T146-L149 PolarHBondContact O-N 3.18Å; T146-L149 VanDerWaalsContact O-N 3.08Å; T146-F150 PolarHBondContact O-N 3.09Å
147A49.6Very low47.4Very low28 Ų28116 Ų11623%0.23161%0.605CS.*Hα-helixtrans-70.2-29.1170.800000111.5F143 L149 F150 R151F143-A147 HydrophobicContact CE1-CB 4.32Å; F143-A147 HydrophobicContact CZ-CB 4.43Å; F143-A147 WeakPolarHBondContact O-CA 3.35Å; F143-A147 WeakPolarHBondContact O-CB 3.13Å; F143-A147 PolarHBondContact O-N 3.26Å; A147-L149 PolarHBondContact O-N 2.94Å; A147-F150 PolarHBondContact O-N 2.91Å; A147-R151 WeakPolarHBondContact O-CB 3.16Å; A147-R151 PolarHBondContact O-N 3.08Å; A147-R151 VanDerWaalsContact O-N 3.08Å
148G46.9Very low46.6Very low51 Ų51120.6 Ų120.653%0.52663%0.631SS.*Hα-helixtrans-60.1-33.9166.100000112.3M144 T146M144-G148 PolarHBondContact O-N 3.12Å; T146-G148 VanDerWaalsContact C-N 3.3Å
149L46.3Very low46.2Very low134 Ų134120.5 Ų120.570%0.70263%0.629SS**Hα-helixtrans-74.4-27.5176-147.176.3000113.7D145 T146 A147 S152D145-L149 PolarHBondContact O-N 2.81Å; T146-L149 WeakPolarHBondContact O-CA 3.38Å; T146-L149 VanDerWaalsContact O-CB 3.22Å; T146-L149 WeakPolarHBondContact O-CB 3.4Å; T146-L149 PolarHBondContact O-N 3.18Å; T146-L149 VanDerWaalsContact O-N 3.08Å; A147-L149 PolarHBondContact O-N 2.94Å; L149-S152 PolarHBondContact O-OG 3Å
150F40Very low45.6Very low175 Ų175123.4 Ų123.477%0.76864%0.638SS**Hα-helixtrans-91-12.3177-91.3-85.4000114.4T146 A147 S152T146-F150 PolarHBondContact O-N 3.09Å; A147-F150 PolarHBondContact O-N 2.91Å; F150-S152 PolarHBondContact O-N 3.05Å
151R46Very low44.7Very low227 Ų227126.7 Ų126.786%0.85766%0.657SS**THydrogen-bonded Turntrans-79.53.4-175.6-147.8167.5-171.5-92.8-0.7114.8A147A147-R151 WeakPolarHBondContact O-CB 3.16Å; A147-R151 PolarHBondContact O-N 3.08Å; A147-R151 VanDerWaalsContact O-N 3.08Å
152S40.7Very low44.2Very low95 Ų95129.2 Ų129.266%0.66467%0.671SS**THydrogen-bonded Turntrans-103.62.2-175.350.60000114.5L149 F150L149-S152 PolarHBondContact O-OG 3Å; F150-S152 PolarHBondContact O-N 3.05Å
153H37.9Very low43.5Very low175 Ų175132.4 Ų132.481%0.8168%0.681SS**  trans-142.962.3-168.5-133.3-83.5000115.3
154S42.7Very low43.4Very low111 Ų111135.3 Ų135.378%0.77670%0.696SS**  trans-147.453.8169.7720000114.1L156S154-L156 PolarHBondContact O-N 3.38Å
155H37.2Very low42.9Very low188 Ų188137.1 Ų137.187%0.8770%0.701SS**  trans-85.686.5151.8174.483.5000107.3
156L38.1Very low42.6Very low135 Ų135137.7 Ų137.771%0.70770%0.704SS**  trans-177.8147.2159.4-106.5178.7000112.8S154S154-L156 PolarHBondContact O-N 3.38Å
157H39.8Very low42.1Very low134 Ų134139.6 Ų139.662%0.6272%0.715SS**  trans79.874.7160.9-65.8-53.1000120.6I159H157-I159 HydrophobicContact CB-CD1 4.02Å; H157-I159 HydrophobicContact CB-CG1 4.01Å; H157-I159 PolarHBondContact O-N 2.81Å; H157-I159 VanDerWaalsContact O-N 3.14Å
158D38.9Very low41.6Very low159 Ų159145.9 Ų145.985%0.8574%0.744SS**  trans-50.198.4137-52.3-84.1000111.7
159I47.2Very low41.6Very low108 Ų108149 Ų14955%0.55476%0.755SS**  trans-137.8-34.7170.8-55.5-176.9000114.2H157H157-I159 HydrophobicContact CB-CD1 4.02Å; H157-I159 HydrophobicContact CB-CG1 4.01Å; H157-I159 PolarHBondContact O-N 2.81Å; H157-I159 VanDerWaalsContact O-N 3.14Å
160F42Very low41.5Very low199 Ų199147.1 Ų147.187%0.87375%0.753SS**  trans-131.264.2-173.4-69.6-72.8000114.7
161N36.3Very low41.8Very low151 Ų151149.7 Ų149.781%0.80776%0.758SS**  trans-105.6113.5152.6-79.9-58.5000107.8
162N45.7Very low41.7Very low145 Ų145145.9 Ų145.978%0.77575%0.749SS**  trans-135124.3161-106.511.6000110.4
163D41.3Very low42Very low117 Ų117147.2 Ų147.263%0.62675%0.748SS**  trans70.167.9144-49.8-36.6000119.3F165D163-F165 HydrophobicContact CB-CD2 4.33Å; D163-F165 PolarHBondContact O-N 3.29Å
164H39.9Very low42.3Very low190 Ų190145.9 Ų145.988%0.8874%0.742SS**  trans-83.392.3147.9-150.2102.5000109.3
165F41.1Very low42.3Very low158 Ų158148.3 Ų148.369%0.69374%0.741SS**  trans-80.9149.6171.8-101.8-90000111.9D163D163-F165 HydrophobicContact CB-CD2 4.33Å; D163-F165 PolarHBondContact O-N 3.29Å
166N44.5Very low42.4Very low135 Ų135145.1 Ų145.172%0.72274%0.735SS**  trans82.8126176.4-53.3-43.6000116.9
167V42.3Very low43Very low116 Ų116145.3 Ų145.370%0.70374%0.742SS**  cis163.6139.7-26.1145.50000105.3
168L39.4Very low43.1Very low161 Ų161143.7 Ų143.784%0.84375%0.745SS**  trans89.8107.4169.9-72.6158.5000120.7
169P46.3Very low43.2Very low115 Ų115140.7 Ų140.775%0.74774%0.736SS**  trans-111.3147.2158.638-28.8000113.5
170S45Very low43Very low95 Ų95145.3 Ų145.366%0.66475%0.752SS**  trans174.2156.6164.5-85.50000108.4
171R45.8Very low43.1Very low230 Ų230140.4 Ų140.487%0.86874%0.742SS**  cis-172.5163.8-10.3-100.5164.9173.1144.6-5.4105.4
172H44Very low43.4Very low146 Ų146138.5 Ų138.568%0.67674%0.736SS**  cis-179.3168.4-20.9176.850.2000107.6
173L46.9Very low43.4Very low124 Ų124139 Ų13965%0.64974%0.739SS**  trans68.6163.9174.1-48.5111.4000117
174H44.7Very low43.2Very low146 Ų146141.4 Ų141.468%0.67675%0.746SS**  cis-148.7142.113.4-41.9-113.1000114.3
175H41.4Very low43.5Very low163 Ų163140.9 Ų140.976%0.75574%0.744SS**  trans56.4112.6140.484.6-28.3000121.6
176T40.1Very low43.4Very low121 Ų121141.9 Ų141.974%0.74275%0.751SS**  67121.682.269.10000115
177T49.6Very low43.5Very low139 Ų139140.4 Ų140.485%0.85375%0.748SS**  178.4168.87840.80000108.5
178S42.2Very low43.4Very low99 Ų99145 Ų14569%0.69275%0.753SS**  cis-165.9154.1-17.5173.80000110.7
179C42.1Very low43.2Very low97 Ų97145.5 Ų145.566%0.65575%0.749SS**  trans48.4120.6152.7670000122.7
180K42.3Very low43.1Very low205 Ų205148.5 Ų148.589%0.89175%0.752SS**  70.214593.2-61.7171.8-179.4-177.30114.2
181S44.6Very low42.7Very low96 Ų96151.8 Ų151.867%0.67176%0.757SS**  cis-159.3152.815.3-154.10000113.2
182T41.1Very low42.6Very low110 Ų110146.5 Ų146.568%0.67575%0.75SS**  trans22.3129.5142.358.60000120.3
183N46.8Very low42.2Very low156 Ų156144.5 Ų144.583%0.83474%0.741SS**  -169.716476.5-104-28.3000114.3
184E36.5Very low41.6Very low167 Ų167147.3 Ų147.378%0.7874%0.743SS**  trans-72.8149.1176.9-55.217312000113.6
185H46.6Very low41.6Very low180 Ų180144.8 Ų144.883%0.83374%0.738SS**  177.6133.3117.1-96.566.4000111.5
186Q40.2Very low41.6Very low178 Ų178146.8 Ų146.883%0.83274%0.739SS**  trans-88.4-178.2168.4-73.1-168-3.300110.8
187P46Very low41.7Very low104 Ų104150.1 Ų150.168%0.67574%0.743SS**  -131.1-178.1-56.737.3-21.7000111.6
188R39.4Very low41.2Very low214 Ų214149.9 Ų149.981%0.80874%0.741SS**  157.2119.6129.9-86.4-170.2172177.6-0.8115.5
189F35.4Very low41.2Very low171 Ų171150.1 Ų150.175%0.7574%0.743SS**  trans56.9158.5137-63.1-64.3000125.3
190H45.1Very low41.3Very low177 Ų177153.8 Ų153.882%0.81976%0.755SS**  trans78.9101.2175.5-51.9-77.6000114.3
191H35.1Very low41.1Very low164 Ų164149 Ų14976%0.75975%0.745SS**  73.3155.356.5-16671.9000113.5
192V44Very low41.1Very low119 Ų119153.9 Ų153.972%0.72176%0.757SS**  trans79.9131.9-172.3-173.70000112.7
193E36.2Very low40.8Very low105 Ų105155.2 Ų155.249%0.49177%0.765SS.*  cis-173.2164.3-28.3-137.8-171.1142.400107.5
194R35Very low41.1Very low183 Ų183154.5 Ų154.569%0.69177%0.767SS**  trans64.8153.2150.2-73.9-161.2-16690.814.3120.2
195V43.6Very low41.3Very low93 Ų93152.2 Ų152.256%0.56477%0.766SS**  cis-174.8170.8-21.570.60000109.1
196R41.4Very low40.8Very low205 Ų205150.7 Ų150.777%0.77477%0.769SS**  trans71.8154.5161.5-73160.2-155.8139.32.3116.5
197K41.8Very low41.1Very low190 Ų190152.8 Ų152.883%0.82677%0.769SS**  cis171.9129.6-32.2-117.9-171.7179.8-176.60106
198T39.4Very low40.6Very low135 Ų135153.7 Ų153.783%0.82878%0.778SS**  trans-174.2109.215030.60000106.9
199S42.8Very low40.8Very low103 Ų103149.8 Ų149.872%0.7277%0.772SS**  76.3109.962.174.10000114.3
200L44.6Very low41.4Very low175 Ų175146 Ų14692%0.91677%0.767SS**  -162.6150.1125-96.9170.6000108.7
201P38.2Very low41.4Very low105 Ų105142.4 Ų142.468%0.68276%0.758SS**  trans-103.6159.2-171.538.9-33.5000113.7
202Q44.2Very low42.3Very low197 Ų197142.3 Ų142.392%0.92176%0.755SS**  trans-160.2146.6152.4-115.7156.880.700112.7
203T35.4Very low42.5Very low138 Ų138139.5 Ų139.585%0.84774%0.738SS**  trans-94.1136.7-169.944.40000113.1
204V51.8Low43.4Very low142 Ų142137.8 Ų137.886%0.86174%0.738SS**  trans-142.7155.5164.2-78.70000111.1
205P40.6Very low44.3Very low119 Ų119136.6 Ų136.677%0.77374%0.735SS**  trans-96.8168.6-144.836.9-37.9000116.5R207P205-R207 PolarHBondContact O-N 3.02Å
206V37.1Very low44.7Very low147 Ų147134.8 Ų134.889%0.89173%0.726SS**  trans-60125.4178.7-165.10000111.7
207R45.2Very low45Very low223 Ų223132.6 Ų132.684%0.84272%0.723SS**  trans-132.1149.4163.6-88.9-169.8170.7-160-2.7111P205P205-R207 PolarHBondContact O-N 3.02Å
208S36.4Very low45.3Very low123 Ų123128.8 Ų128.886%0.8671%0.711SS**  trans-57.6134.9-173.9450000113
209L43.1Very low45.6Very low131 Ų131130.2 Ų130.269%0.68671%0.706SS**  trans-107.7104-177.6-84.1135.7000111.4I242L209-I242 HydrophobicContact CB-CD1 4.12Å; L209-I242 HydrophobicContact CD1-CD1 3.35Å; L209-I242 HydrophobicContact CD2-CD1 3.5Å; L209-I242 VanDerWaalsContact CD2-CD1 3.5Å; L209-I242 HydrophobicContact CG-CD1 3.78Å
210S48.2Very low45.7Very low92 Ų92127 Ų12764%0.64369%0.69SS**  trans-63.5125.6167.6166.70000110.2K212S210-K212 PolarHBondContact O-N 3.18Å
211T46Very low45.7Very low102 Ų102123.1 Ų123.163%0.62668%0.677SS**  trans-73.1110.2166.737.80000109.4K241T211-K241 HydrophobicContact CG2-CB 4.47Å
212K53.8Low46.1Very low162 Ų162123.2 Ų123.270%0.70468%0.68SS**EExtended strand (participates in β ladder)trans-97.1121.8171.7-69.2-172.5177.3-175.60109.5S210 T240S210-K212 PolarHBondContact O-N 3.18Å; K212-T240 PolarHBondContact O-N 2.93Å
213T47.6Very low46.2Very low59 Ų59118.8 Ų118.836%0.36267%0.671SS.*EExtended strand (participates in β ladder)trans-113.3126.5166.8-54.60000108.1Y215 T238 S239T213-Y215 HydrophobicContact CG2-CD1 4.31Å; T213-Y215 HydrophobicContact CG2-CE1 3.56Å; T213-Y215 HydrophobicContact CG2-CE2 4.11Å; T213-Y215 VanDerWaalsContact CG2-CZ 3.44Å; T213-Y215 WeakPolarHBondContact CG2-OH 3.26Å; T213-T238 WeakPolarHBondContact CA-O 3.45Å; T213-S239 PolarHBondContact OG1-OG 2.83Å
214S55.3Low47Very low70 Ų70122.5 Ų122.549%0.4967%0.67SS.*EExtended strand (participates in β ladder)trans-114.3136.817655.90000110.4S237 T238S214-S237 WeakPolarHBondContact O-CA 3.43Å; S214-T238 PolarHBondContact N-O 3.49Å; S214-T238 PolarHBondContact O-N 3.48Å; S214-T238 PolarHBondContact OG-O 3.38Å
215Y54.3Low47Very low157 Ų157122.3 Ų122.362%0.61667%0.671SS**EExtended strand (participates in β ladder)trans-119.8135176.8-45.4-79.7000108.2T213T213-Y215 HydrophobicContact CG2-CD1 4.31Å; T213-Y215 HydrophobicContact CG2-CE1 3.56Å; T213-Y215 HydrophobicContact CG2-CE2 4.11Å; T213-Y215 VanDerWaalsContact CG2-CZ 3.44Å; T213-Y215 WeakPolarHBondContact CG2-OH 3.26Å
216S52.6Low47.5Very low55 Ų55120.6 Ų120.639%0.38568%0.675SS.*EExtended strand (participates in β ladder)trans-127.1125.5171.551.50000109R236S216-R236 PolarHBondContact N-O 2.96Å; S216-R236 PolarHBondContact O-N 3.39Å; S216-R236 VanDerWaalsContact O-N 3.14Å; S216-R236 WeakPolarHBondContact OG-CB 3.15Å; S216-R236 PolarHBondContact OG-O 2.84Å
217F46.5Very low48.2Very low160 Ų160121.4 Ų121.470%0.70267%0.669SS**EExtended strand (participates in β ladder)trans-126.7122.8-177.948.4-92.4000109
218N48.5Very low48.7Very low109 Ų109115.4 Ų115.458%0.58366%0.659SS**  trans-101.692.4170.1-72.3-36.9000107.8T234N218-T234 PolarHBondContact ND2-OG1 2.91Å
219F45.5Very low49.4Very low165 Ų165115.4 Ų115.472%0.72466%0.656SS**  trans-85.8123-179.5-175.9-104.7000111.2S221F219-S221 PolarHBondContact O-N 3.42Å
220G45.8Very low49.7Very low36 Ų36114.1 Ų114.137%0.37165%0.649SS.*  trans-85.4100.7-177.900000113.6S222G220-S222 PolarHBondContact O-N 3.2Å
221S43.4Very low50Low94 Ų94121 Ų12166%0.65766%0.661SS**  trans-73.7113.7176.7-57.40000113.1F219F219-S221 PolarHBondContact O-N 3.42Å
222S47.7Very low50.6Low107 Ų107122.3 Ų122.375%0.74866%0.657SS**  trans33.9104156.752.90000119G220 R224G220-S222 PolarHBondContact O-N 3.2Å; S222-R224 PolarHBondContact O-N 3.07Å
223S46.2Very low50.8Low104 Ų104120.5 Ų120.573%0.72765%0.652SS**PPolyproline II helixtrans-51.4120.3176.5-46.70000114.4
224R52.3Low51.9Low216 Ų216119.9 Ų119.982%0.81565%0.648SS**PPolyproline II helixtrans-103143.5160.2-73.9-173.1171-147.1-2.3110.2S222 G226S222-R224 PolarHBondContact O-N 3.07Å; R224-G226 PolarHBondContact O-N 3.47Å
225P50.1Low52.8Low138 Ų138120.4 Ų120.490%0.89664%0.641SS**THydrogen-bonded Turntrans-61.1135.3174.3-18.631.1000110.9
226G52.2Low54.2Low83 Ų83118.3 Ų118.386%0.85663%0.632SS**THydrogen-bonded Turntrans100.51173.500000116.9R224R224-G226 PolarHBondContact O-N 3.47Å
227H51.4Low55.6Low164 Ų164116.7 Ų116.776%0.75962%0.621SS**SBendtrans-89.4146.7168.1-113.9-103.5000111.7
228P55.2Low57.3Low97 Ų97110 Ų11063%0.6359%0.594SS**PPolyproline II helixtrans-56.7154.9172.523.9-34.8000111.8I230P228-I230 PolarHBondContact O-N 2.9Å
229P52Low58.8Low123 Ų123106.6 Ų106.680%0.79958%0.578SS**PPolyproline II helixtrans-53.5130.3-170.520.1-33000112.1R231P229-R231 PolarHBondContact O-N 3.28Å; P229-R231 VanDerWaalsContact O-N 3.15Å
230I50Low60.6Low104 Ų104101.1 Ų101.153%0.53356%0.558SS.*PPolyproline II helixtrans-50.7120.6-179.5-65.8171000108.7P228 K232P228-I230 PolarHBondContact O-N 2.9Å; I230-K232 PolarHBondContact O-N 2.78Å
231R54.1Low62.3Low237 Ų237103 Ų10389%0.89456%0.556SS**PPolyproline II helixtrans-61.1123.2176.3-67.5-177.2180-177.20.9107.7P229P229-R231 PolarHBondContact O-N 3.28Å; P229-R231 VanDerWaalsContact O-N 3.15Å
232K58Low64.1Low128 Ų128102.3 Ų102.356%0.55755%0.545SS*.PPolyproline II helixtrans-53.1139-172.9-61.6171.8-178.1-178.70110.7I230 T234 D256I230-K232 PolarHBondContact O-N 2.78Å; K232-T234 PolarHBondContact O-N 3.45Å; K232-D256 WeakPolarHBondContact CB-OD1 3.17Å; K232-D256 HydrophobicContact CD-CB 3.91Å; K232-D256 WeakPolarHBondContact CD-OD1 3.08Å; K232-D256 WeakPolarHBondContact CD-OD2 3.07Å; K232-D256 WeakPolarHBondContact CE-OD2 3Å; K232-D256 IonicContact NZ-OD2 2.67Å; K232-D256 PolarHBondContact NZ-OD2 3.29Å
233E59.1Low65.6Low124 Ų124101.3 Ų101.358%0.57953%0.528SS*.PPolyproline II helixtrans-58.7123.3-176-64.7-172.1148.800110.4
234T70.6Confident67.1Low46 Ų46104.3 Ų104.328%0.28254%0.536SS..EExtended strand (participates in β ladder)trans-116.9104-179.331.20000107.6N218 K232 V254 Q255N218-T234 PolarHBondContact ND2-OG1 2.91Å; K232-T234 PolarHBondContact O-N 3.45Å; T234-V254 CarbonylContact C-O 3.56Å; T234-V254 WeakPolarHBondContact CA-O 3.24Å; T234-Q255 HydrophobicContact CG2-CB 3.94Å; T234-Q255 HydrophobicContact CG2-CG 3.67Å
235F74.1Confident68.3Low81 Ų8197.5 Ų97.536%0.35553%0.533SS..EExtended strand (participates in β ladder)trans-96.1128.4172.3174.1-96.2000108.9I253 V254F235-I253 CarbonylContact O-C 3.52Å; F235-I253 WeakPolarHBondContact O-CA 3.39Å; F235-V254 HydrophobicContact CB-CB 4.26Å; F235-V254 HydrophobicContact CD1-CG2 4.24Å; F235-V254 PolarHBondContact N-O 3.45Å; F235-V254 PolarHBondContact O-N 2.94Å
236R83.2Confident69.5Low113 Ų11394.7 Ų94.743%0.42651%0.507SS..EExtended strand (participates in β ladder)trans-132.3121.8171.9171.8177.1174.4-175.5-1.1110.4S216 K252 I253S216-R236 PolarHBondContact N-O 2.96Å; S216-R236 PolarHBondContact O-N 3.39Å; S216-R236 VanDerWaalsContact O-N 3.14Å; S216-R236 WeakPolarHBondContact OG-CB 3.15Å; S216-R236 PolarHBondContact OG-O 2.84Å; R236-K252 WeakPolarHBondContact CA-O 3.42Å; R236-I253 HydrophobicContact CG-CG1 4.19Å
237S81.1Confident70.8Confident22 Ų2293 Ų9315%0.15448%0.481CS..EExtended strand (participates in β ladder)trans-109.1138.8169.7175.20000109.2S214 R251 K252S214-S237 WeakPolarHBondContact O-CA 3.43Å; S237-R251 CarbonylContact O-C 3.53Å; S237-R251 WeakPolarHBondContact O-CA 3.37Å; S237-K252 PolarHBondContact N-O 2.78Å; S237-K252 PolarHBondContact O-N 2.8Å
238T83.2Confident72.4Confident20 Ų2085.7 Ų85.712%0.12345%0.448CS..EExtended strand (participates in β ladder)trans-137123.7174.5-62.20000109T213 S214 T249 T250 R251T213-T238 WeakPolarHBondContact CA-O 3.45Å; S214-T238 PolarHBondContact N-O 3.49Å; S214-T238 PolarHBondContact O-N 3.48Å; S214-T238 PolarHBondContact OG-O 3.38Å; T238-T249 HydrophobicContact CG2-CG2 3.91Å; T238-T250 WeakPolarHBondContact CA-O 3.3Å; T238-R251 HydrophobicContact CG2-CG 4.09Å
239S79.6Confident73.9Confident37 Ų3781.9 Ų81.926%0.25942%0.423SS..EExtended strand (participates in β ladder)trans-127.8122-177.8-174.10000109.4T213 T249 T250T213-S239 PolarHBondContact OG1-OG 2.83Å; S239-T249 WeakPolarHBondContact O-CA 3.31Å; S239-T250 PolarHBondContact N-O 3.24Å; S239-T250 PolarHBondContact O-N 3Å
240T82.7Confident75.6Confident49 Ų4978 Ų7830%0.30140%0.397SS..EExtended strand (participates in β ladder)trans-111.9125.8176.7-59.90000109.8K212 C247 V248 T249K212-T240 PolarHBondContact O-N 2.93Å; T240-C247 WeakPolarHBondContact CG2-SG 3.42Å; T240-V248 WeakPolarHBondContact CA-O 3.45Å; T240-T249 WeakPolarHBondContact CG2-OG1 3.48Å; T240-T249 WeakPolarHBondContact OG1-CG2 3.28Å; T240-T249 PolarHBondContact OG1-OG1 3.37Å
241K82.1Confident77.4Confident75 Ų7576.3 Ų76.333%0.32638%0.384SS..EExtended strand (participates in β ladder)trans-131.3164.3178.260.4177.2177.7163.70109.9T211 E243 V248T211-K241 HydrophobicContact CG2-CB 4.47Å; K241-E243 HydrophobicContact CD-CG 4.1Å; K241-E243 VanDerWaalsContact CE-OE1 3.31Å; K241-E243 WeakPolarHBondContact CE-OE1 3.24Å; K241-E243 WeakPolarHBondContact CE-OE2 3.4Å; K241-E243 HydrophobicContact CG-CG 4.29Å; K241-E243 IonicContact NZ-OE1 2.94Å; K241-E243 PolarHBondContact NZ-OE1 3.06Å; K241-E243 IonicContact NZ-OE2 2.66Å; K241-E243 PolarHBondContact NZ-OE2 2.95Å; K241-V248 HydrophobicContact CG-CB 4.11Å; K241-V248 PolarHBondContact N-O 2.86Å; K241-V248 PolarHBondContact O-N 3.37Å; K241-V248 VanDerWaalsContact O-O 3.09Å
242I82.3Confident79.1Confident81 Ų8168.1 Ų68.142%0.41536%0.355SS..EExtended strand (participates in β ladder)trans-116.4123.8174-76.1166.5000110L209 K246 C247L209-I242 HydrophobicContact CB-CD1 4.12Å; L209-I242 HydrophobicContact CD1-CD1 3.35Å; L209-I242 HydrophobicContact CD2-CD1 3.5Å; L209-I242 VanDerWaalsContact CD2-CD1 3.5Å; L209-I242 HydrophobicContact CG-CD1 3.78Å; I242-K246 VanDerWaalsContact CA-O 3.25Å; I242-K246 WeakPolarHBondContact CA-O 3.49Å; I242-C247 HydrophobicContact CG1-CB 4.47Å
243E78.7Confident80.5Confident85 Ų8564 Ų6440%0.39734%0.339SS..EExtended strand (participates in β ladder)trans-129.2128.9-178.7-61.8-175.5138.600108.4K241 G245 K246 V248K241-E243 HydrophobicContact CD-CG 4.1Å; K241-E243 VanDerWaalsContact CE-OE1 3.31Å; K241-E243 WeakPolarHBondContact CE-OE1 3.24Å; K241-E243 WeakPolarHBondContact CE-OE2 3.4Å; K241-E243 HydrophobicContact CG-CG 4.29Å; K241-E243 IonicContact NZ-OE1 2.94Å; K241-E243 PolarHBondContact NZ-OE1 3.06Å; K241-E243 IonicContact NZ-OE2 2.66Å; K241-E243 PolarHBondContact NZ-OE2 2.95Å; E243-G245 PolarHBondContact O-N 3.34Å; E243-G245 VanDerWaalsContact O-N 3.14Å; E243-K246 PolarHBondContact N-O 2.88Å; E243-K246 WeakPolarHBondContact O-CB 3.18Å; E243-K246 PolarHBondContact O-N 3.36Å; E243-V248 HydrophobicContact CB-CG2 4.02Å; E243-V248 HydrophobicContact CG-CG2 4.35Å
244N77.6Confident81.8Confident168 Ų16859.6 Ų59.690%0.89832%0.32SS*.THydrogen-bonded Turntrans51.237.7179.6-57.5-33.9000114.3K246N244-K246 VanDerWaalsContact C-N 3.29Å; N244-K246 PolarHBondContact O-N 3.29Å
245G77.7Confident82.3Confident73 Ų7362.1 Ų62.175%0.75333%0.329SS*.THydrogen-bonded Turntrans76.19.4-179.100000115.2E243E243-G245 PolarHBondContact O-N 3.34Å; E243-G245 VanDerWaalsContact O-N 3.14Å
246K75.6Confident82.6Confident79 Ų7962 Ų6234%0.34333%0.331SS..EExtended strand (participates in β ladder)trans-112.2143.7178.3-55.7-179.5-175.11700111.3I242 E243 N244 V248 E265 N266I242-K246 VanDerWaalsContact CA-O 3.25Å; I242-K246 WeakPolarHBondContact CA-O 3.49Å; E243-K246 PolarHBondContact N-O 2.88Å; E243-K246 WeakPolarHBondContact O-CB 3.18Å; E243-K246 PolarHBondContact O-N 3.36Å; N244-K246 VanDerWaalsContact C-N 3.29Å; N244-K246 PolarHBondContact O-N 3.29Å; K246-V248 PolarHBondContact O-N 3.33Å; K246-E265 WeakPolarHBondContact CD-OE2 3.26Å; K246-E265 WeakPolarHBondContact CE-OE2 3.43Å; K246-E265 IonicContact NZ-OE2 3.83Å; K246-E265 PolarHBondContact NZ-OE2 2.92Å; K246-N266 WeakPolarHBondContact CA-OD1 3.33Å
247C77.8Confident82.4Confident48 Ų4859.7 Ų59.732%0.32434%0.343SS..EExtended strand (participates in β ladder)trans-78.5111.5171.9-175.10000109.3T240 I242 E265 N266T240-C247 WeakPolarHBondContact CG2-SG 3.42Å; I242-C247 HydrophobicContact CG1-CB 4.47Å; C247-E265 CarbonylContact O-C 3.6Å; C247-E265 WeakPolarHBondContact O-CA 3.42Å; C247-N266 PolarHBondContact N-OD1 3.27Å; C247-N266 PolarHBondContact O-N 2.86Å
248V85.9Confident82.5Confident10 Ų1062.4 Ų62.46%0.06136%0.355CS..EExtended strand (participates in β ladder)trans-106.6112.1179.2-1720000108.7T240 K241 E243 K246 V263 E264 E265T240-V248 WeakPolarHBondContact CA-O 3.45Å; K241-V248 HydrophobicContact CG-CB 4.11Å; K241-V248 PolarHBondContact N-O 2.86Å; K241-V248 PolarHBondContact O-N 3.37Å; K241-V248 VanDerWaalsContact O-O 3.09Å; E243-V248 HydrophobicContact CB-CG2 4.02Å; E243-V248 HydrophobicContact CG-CG2 4.35Å; K246-V248 PolarHBondContact O-N 3.33Å; V248-V263 HydrophobicContact CG1-CG1 3.75Å; V248-E264 CarbonylContact C-O 3.47Å; V248-E264 VanDerWaalsContact CA-O 3.32Å; V248-E264 WeakPolarHBondContact CA-O 3.39Å; V248-E265 HydrophobicContact CG2-CG 4.26Å
249T85.7Confident82.7Confident16 Ų1665.2 Ų65.210%0.09837%0.367CS..EExtended strand (participates in β ladder)trans-107.5117.2176.5-64.80000109.9T238 S239 T240 R251 V263 E264T238-T249 HydrophobicContact CG2-CG2 3.91Å; S239-T249 WeakPolarHBondContact O-CA 3.31Å; T240-T249 WeakPolarHBondContact CG2-OG1 3.48Å; T240-T249 WeakPolarHBondContact OG1-CG2 3.28Å; T240-T249 PolarHBondContact OG1-OG1 3.37Å; T249-R251 HydrophobicContact CG2-CG 4.14Å; T249-V263 WeakPolarHBondContact O-CA 3.33Å; T249-E264 PolarHBondContact N-O 3.01Å; T249-E264 PolarHBondContact O-N 3.09Å
250T88Confident83.1Confident43 Ų4364.4 Ų64.426%0.26436%0.361SS..EExtended strand (participates in β ladder)trans-101.8123.9174.3-58.30000109.5T238 S239 I261 E262 V263T238-T250 WeakPolarHBondContact CA-O 3.3Å; S239-T250 PolarHBondContact N-O 3.24Å; S239-T250 PolarHBondContact O-N 3Å; T250-I261 HydrophobicContact CG2-CG2 4.27Å; T250-E262 CarbonylContact C-O 3.4Å; T250-E262 WeakPolarHBondContact CA-O 3.43Å; T250-V263 HydrophobicContact CG2-CG2 4.14Å
251R89.4Confident83.5Confident68 Ų6864.6 Ų64.626%0.25736%0.359SS..EExtended strand (participates in β ladder)trans-113.9126.2175.3-52.5177-173.6-158.73.3108.3S237 T238 T249 I261 E262 E264S237-R251 CarbonylContact O-C 3.53Å; S237-R251 WeakPolarHBondContact O-CA 3.37Å; T238-R251 HydrophobicContact CG2-CG 4.09Å; T249-R251 HydrophobicContact CG2-CG 4.14Å; R251-I261 CarbonylContact O-C 3.54Å; R251-I261 WeakPolarHBondContact O-CA 3.36Å; R251-E262 HydrophobicContact CB-CB 4.32Å; R251-E262 PolarHBondContact N-O 3.09Å; R251-E262 PolarHBondContact O-N 3.39Å; R251-E264 IonicContact CZ-OE1 2.78Å; R251-E264 IonicContact CZ-OE2 2.79Å; R251-E264 VanDerWaalsContact CZ-OE2 3.23Å; R251-E264 VanDerWaalsContact NE-CD 3.34Å; R251-E264 IonicContact NE-OE1 2.68Å; R251-E264 PolarHBondContact NE-OE1 3.06Å; R251-E264 VanDerWaalsContact NE-OE1 3.13Å; R251-E264 IonicContact NE-OE2 2.67Å; R251-E264 PolarHBondContact NE-OE2 3.26Å; R251-E264 IonicContact NH1-OE1 3.13Å; R251-E264 IonicContact NH2-OE1 3.87Å; R251-E264 PolarHBondContact NH2-OE1 3.07Å; R251-E264 IonicContact NH2-OE2 2.68Å; R251-E264 PolarHBondContact NH2-OE2 2.81Å
252K89.1Confident83.9Confident64 Ų6462.4 Ų62.428%0.27835%0.35SS..EExtended strand (participates in β ladder)trans-110.8119.3166.3176.9169.8172.3166.80108.1R236 S237 V254 E259 T260 I261R236-K252 WeakPolarHBondContact CA-O 3.42Å; S237-K252 PolarHBondContact N-O 2.78Å; S237-K252 PolarHBondContact O-N 2.8Å; K252-V254 HydrophobicContact CG-CG2 4.36Å; K252-E259 VanDerWaalsContact CE-CD 3.41Å; K252-E259 WeakPolarHBondContact CE-OE1 3.35Å; K252-E259 VanDerWaalsContact CE-OE2 3.3Å; K252-E259 WeakPolarHBondContact CE-OE2 3.46Å; K252-E259 IonicContact NZ-OE1 2.69Å; K252-E259 PolarHBondContact NZ-OE1 3.22Å; K252-E259 IonicContact NZ-OE2 2.59Å; K252-E259 PolarHBondContact NZ-OE2 2.84Å; K252-T260 WeakPolarHBondContact CA-O 3.39Å; K252-I261 HydrophobicContact CB-CG1 4.41Å; K252-I261 HydrophobicContact CD-CG1 4.47Å; K252-I261 HydrophobicContact CG-CG1 4.22Å
253I87.3Confident84.2Confident42 Ų4259.7 Ų59.722%0.21534%0.337CS..EExtended strand (participates in β ladder)trans-117.6121.2179.3-57.1170.6000106.5F235 R236 Q255 T260F235-I253 CarbonylContact O-C 3.52Å; F235-I253 WeakPolarHBondContact O-CA 3.39Å; R236-I253 HydrophobicContact CG-CG1 4.19Å; I253-Q255 HydrophobicContact CG2-CB 4.46Å; I253-T260 PolarHBondContact N-O 3.24Å; I253-T260 PolarHBondContact O-N 3.05Å
254V86Confident84.7Confident31 Ų3157 Ų5719%0.18833%0.325CS..EExtended strand (participates in β ladder)trans-112.8114.5169.4-172.20000106.7T234 F235 K252 I258 E259T234-V254 CarbonylContact C-O 3.56Å; T234-V254 WeakPolarHBondContact CA-O 3.24Å; F235-V254 HydrophobicContact CB-CB 4.26Å; F235-V254 HydrophobicContact CD1-CG2 4.24Å; F235-V254 PolarHBondContact N-O 3.45Å; F235-V254 PolarHBondContact O-N 2.94Å; K252-V254 HydrophobicContact CG-CG2 4.36Å; V254-I258 WeakPolarHBondContact CA-O 3.34Å; V254-E259 HydrophobicContact CG1-CG 4.18Å; V254-E259 HydrophobicContact CG2-CB 4.34Å; V254-E259 HydrophobicContact CG2-CG 3.84Å
255Q81.2Confident85.1Confident100 Ų10051.1 Ų51.147%0.46729%0.292SS..EExtended strand (participates in β ladder)trans-135132.6-179.7174.8167.33.800108.3T234 I253 G257 I258T234-Q255 HydrophobicContact CG2-CB 3.94Å; T234-Q255 HydrophobicContact CG2-CG 3.67Å; I253-Q255 HydrophobicContact CG2-CB 4.46Å; Q255-G257 PolarHBondContact O-N 3.44Å; Q255-G257 VanDerWaalsContact O-N 3.07Å; Q255-I258 PolarHBondContact N-O 3.13Å; Q255-I258 VanDerWaalsContact N-O 3.09Å; Q255-I258 WeakPolarHBondContact O-CA 3.25Å; Q255-I258 WeakPolarHBondContact O-CB 3.29Å; Q255-I258 PolarHBondContact O-N 3.12Å
256D81.1Confident85.2Confident77 Ų7752.4 Ų52.441%0.41228%0.281SS..THydrogen-bonded Turntrans58.323.3176.3-60.519.5000113.8K232 I258K232-D256 WeakPolarHBondContact CB-OD1 3.17Å; K232-D256 HydrophobicContact CD-CB 3.91Å; K232-D256 WeakPolarHBondContact CD-OD1 3.08Å; K232-D256 WeakPolarHBondContact CD-OD2 3.07Å; K232-D256 WeakPolarHBondContact CE-OD2 3Å; K232-D256 IonicContact NZ-OD2 2.67Å; K232-D256 PolarHBondContact NZ-OD2 3.29Å; D256-I258 VanDerWaalsContact C-N 3.33Å
257G79.3Confident85.5Confident65 Ų6551.7 Ų51.767%0.6730%0.296SS*.THydrogen-bonded Turntrans830.9-172.900000115Q255Q255-G257 PolarHBondContact O-N 3.44Å; Q255-G257 VanDerWaalsContact O-N 3.07Å
258I82.5Confident85.8Confident80 Ų8054.5 Ų54.541%0.4131%0.307SS..EExtended strand (participates in β ladder)trans-94.4115.9178-56174000109V254 Q255 D256 I274 N275V254-I258 WeakPolarHBondContact CA-O 3.34Å; Q255-I258 PolarHBondContact N-O 3.13Å; Q255-I258 VanDerWaalsContact N-O 3.09Å; Q255-I258 WeakPolarHBondContact O-CA 3.25Å; Q255-I258 WeakPolarHBondContact O-CB 3.29Å; Q255-I258 PolarHBondContact O-N 3.12Å; D256-I258 VanDerWaalsContact C-N 3.33Å; I258-I274 HydrophobicContact CG2-CG2 3.59Å; I258-N275 WeakPolarHBondContact CA-OD1 3.05Å
259E86.6Confident85.9Confident78 Ų7856.3 Ų56.336%0.36432%0.316SS..EExtended strand (participates in β ladder)trans-85.5114.5173.1-59.7-145.1142.700110.7K252 V254 I274 N275K252-E259 VanDerWaalsContact CE-CD 3.41Å; K252-E259 WeakPolarHBondContact CE-OE1 3.35Å; K252-E259 VanDerWaalsContact CE-OE2 3.3Å; K252-E259 WeakPolarHBondContact CE-OE2 3.46Å; K252-E259 IonicContact NZ-OE1 2.69Å; K252-E259 PolarHBondContact NZ-OE1 3.22Å; K252-E259 IonicContact NZ-OE2 2.59Å; K252-E259 PolarHBondContact NZ-OE2 2.84Å; V254-E259 HydrophobicContact CG1-CG 4.18Å; V254-E259 HydrophobicContact CG2-CB 4.34Å; V254-E259 HydrophobicContact CG2-CG 3.84Å; E259-I274 CarbonylContact O-C 3.5Å; E259-I274 WeakPolarHBondContact O-CA 3.33Å; E259-N275 PolarHBondContact N-OD1 2.85Å; E259-N275 PolarHBondContact O-N 3.34Å
260T89.4Confident85.9Confident21 Ų2160.2 Ų60.213%0.12933%0.332CS..EExtended strand (participates in β ladder)trans-111.2122.2173.2-58.90000110.1K252 I253 E262 K272 T273 I274K252-T260 WeakPolarHBondContact CA-O 3.39Å; I253-T260 PolarHBondContact N-O 3.24Å; I253-T260 PolarHBondContact O-N 3.05Å; T260-E262 HydrophobicContact CG2-CG 4.09Å; T260-K272 HydrophobicContact CG2-CG 4.41Å; T260-T273 CarbonylContact C-O 3.49Å; T260-T273 VanDerWaalsContact CA-O 3.32Å; T260-T273 WeakPolarHBondContact CA-O 3.35Å; T260-I274 HydrophobicContact CG2-CG1 4.28Å
261I90.1Very high85.9Confident52 Ų5262.7 Ų62.727%0.26734%0.341SS..EExtended strand (participates in β ladder)trans-110.6125.6173.2-57.3172.8000108.3T250 R251 K252 K272 T273T250-I261 HydrophobicContact CG2-CG2 4.27Å; R251-I261 CarbonylContact O-C 3.54Å; R251-I261 WeakPolarHBondContact O-CA 3.36Å; K252-I261 HydrophobicContact CB-CG1 4.41Å; K252-I261 HydrophobicContact CD-CG1 4.47Å; K252-I261 HydrophobicContact CG-CG1 4.22Å; I261-K272 CarbonylContact O-C 3.6Å; I261-K272 VanDerWaalsContact O-CA 3.3Å; I261-K272 WeakPolarHBondContact O-CA 3.46Å; I261-T273 PolarHBondContact N-O 2.98Å; I261-T273 PolarHBondContact O-N 3.33Å
262E91.3Very high86Confident30 Ų3062.2 Ų62.214%0.1434%0.341CS..EExtended strand (participates in β ladder)trans-121.3132.4178.7-72.1174.7165.800109.3T250 R251 T260 L269 M271 K272T250-E262 CarbonylContact C-O 3.4Å; T250-E262 WeakPolarHBondContact CA-O 3.43Å; R251-E262 HydrophobicContact CB-CB 4.32Å; R251-E262 PolarHBondContact N-O 3.09Å; R251-E262 PolarHBondContact O-N 3.39Å; T260-E262 HydrophobicContact CG2-CG 4.09Å; E262-L269 HydrophobicContact CB-CD1 3.69Å; E262-L269 HydrophobicContact CG-CD1 4.02Å; E262-M271 CarbonylContact C-O 3.54Å; E262-M271 WeakPolarHBondContact CA-O 3.27Å; E262-K272 HydrophobicContact CG-CD 4.1Å; E262-K272 HydrophobicContact CG-CG 4.08Å; E262-K272 WeakPolarHBondContact OE1-CE 3.45Å; E262-K272 IonicContact OE1-NZ 2.71Å; E262-K272 PolarHBondContact OE1-NZ 2.86Å
263V88.8Confident86.1Confident24 Ų2460 Ų6015%0.14533%0.333CS..EExtended strand (participates in β ladder)trans-123119.8176.2-177.90000109.5V248 T249 T250 K270 M271V248-V263 HydrophobicContact CG1-CG1 3.75Å; T249-V263 WeakPolarHBondContact O-CA 3.33Å; T250-V263 HydrophobicContact CG2-CG2 4.14Å; V263-K270 PolarHBondContact O-N 3.35Å; V263-M271 HydrophobicContact CB-CB 4.21Å; V263-M271 HydrophobicContact CB-CE 4.48Å; V263-M271 HydrophobicContact CG2-CE 3.73Å; V263-M271 PolarHBondContact N-O 3.3Å; V263-M271 PolarHBondContact O-N 2.91Å
264E88.9Confident86.1Confident28 Ų2860.9 Ų60.913%0.13134%0.338CS..EExtended strand (participates in β ladder)trans-107.4126.6-179-58.8165.7158.400109.4V248 T249 R251 I268 L269V248-E264 CarbonylContact C-O 3.47Å; V248-E264 VanDerWaalsContact CA-O 3.32Å; V248-E264 WeakPolarHBondContact CA-O 3.39Å; T249-E264 PolarHBondContact N-O 3.01Å; T249-E264 PolarHBondContact O-N 3.09Å; R251-E264 IonicContact CZ-OE1 2.78Å; R251-E264 IonicContact CZ-OE2 2.79Å; R251-E264 VanDerWaalsContact CZ-OE2 3.23Å; R251-E264 VanDerWaalsContact NE-CD 3.34Å; R251-E264 IonicContact NE-OE1 2.68Å; R251-E264 PolarHBondContact NE-OE1 3.06Å; R251-E264 VanDerWaalsContact NE-OE1 3.13Å; R251-E264 IonicContact NE-OE2 2.67Å; R251-E264 PolarHBondContact NE-OE2 3.26Å; R251-E264 IonicContact NH1-OE1 3.13Å; R251-E264 IonicContact NH2-OE1 3.87Å; R251-E264 PolarHBondContact NH2-OE1 3.07Å; R251-E264 IonicContact NH2-OE2 2.68Å; R251-E264 PolarHBondContact NH2-OE2 2.81Å; E264-I268 CarbonylContact C-O 3.51Å; E264-I268 VanDerWaalsContact CA-O 3.28Å; E264-I268 WeakPolarHBondContact CA-O 3.25Å; E264-L269 HydrophobicContact CG-CD1 4.08Å
265E84.8Confident86.2Confident45 Ų4563.9 Ų63.921%0.2135%0.353CS..EExtended strand (participates in β ladder)trans-103.4122.7167.2-85.2-173.4-133.800109.3K246 C247 V248 G267 I268 K270K246-E265 WeakPolarHBondContact CD-OE2 3.26Å; K246-E265 WeakPolarHBondContact CE-OE2 3.43Å; K246-E265 IonicContact NZ-OE2 3.83Å; K246-E265 PolarHBondContact NZ-OE2 2.92Å; C247-E265 CarbonylContact O-C 3.6Å; C247-E265 WeakPolarHBondContact O-CA 3.42Å; V248-E265 HydrophobicContact CG2-CG 4.26Å; E265-G267 PolarHBondContact O-N 2.99Å; E265-G267 VanDerWaalsContact O-N 3.15Å; E265-I268 PolarHBondContact N-O 3.06Å; E265-I268 WeakPolarHBondContact O-CB 3.23Å; E265-I268 PolarHBondContact O-N 3.14Å; E265-K270 HydrophobicContact CB-CD 4Å; E265-K270 HydrophobicContact CB-CG 4.17Å; E265-K270 HydrophobicContact CG-CD 3.92Å; E265-K270 HydrophobicContact CG-CG 4.48Å; E265-K270 VanDerWaalsContact OE1-CD 3.26Å; E265-K270 WeakPolarHBondContact OE1-CD 3.27Å; E265-K270 WeakPolarHBondContact OE1-CE 3.22Å; E265-K270 IonicContact OE1-NZ 3.03Å; E265-K270 PolarHBondContact OE1-NZ 2.68Å; E265-K270 VanDerWaalsContact OE2-CE 3.26Å; E265-K270 WeakPolarHBondContact OE2-CE 3.47Å; E265-K270 IonicContact OE2-NZ 2.99Å; E265-K270 PolarHBondContact OE2-NZ 3.33Å
266N81.2Confident86.4Confident99 Ų9962 Ų6253%0.52936%0.36SS..THydrogen-bonded Turntrans52.233.2-179.3-62.2-21.1000113.5K246 C247 I268K246-N266 WeakPolarHBondContact CA-OD1 3.33Å; C247-N266 PolarHBondContact N-OD1 3.27Å; C247-N266 PolarHBondContact O-N 2.86Å; N266-I268 VanDerWaalsContact C-N 3.35Å
267G81.2Confident86.6Confident64 Ų6465 Ų6566%0.6637%0.372SS*.THydrogen-bonded Turntrans84.4-0.8-176.400000115.3E265E265-G267 PolarHBondContact O-N 2.99Å; E265-G267 VanDerWaalsContact O-N 3.15Å
268I84.5Confident87Confident108 Ų10866.7 Ų66.755%0.55437%0.371SS*.EExtended strand (participates in β ladder)trans-99.5119.5177.6-55.2175.2000108.8E264 E265 N266 K270E264-I268 CarbonylContact C-O 3.51Å; E264-I268 VanDerWaalsContact CA-O 3.28Å; E264-I268 WeakPolarHBondContact CA-O 3.25Å; E265-I268 PolarHBondContact N-O 3.06Å; E265-I268 WeakPolarHBondContact O-CB 3.23Å; E265-I268 PolarHBondContact O-N 3.14Å; N266-I268 VanDerWaalsContact C-N 3.35Å; I268-K270 PolarHBondContact O-N 2.9Å
269L86.9Confident87.3Confident47 Ų4766 Ų6625%0.24637%0.37CS..EExtended strand (participates in β ladder)trans-63.3118.6176.4-176.370.2000110.2E262 E264 K272 I281 N283E262-L269 HydrophobicContact CB-CD1 3.69Å; E262-L269 HydrophobicContact CG-CD1 4.02Å; E264-L269 HydrophobicContact CG-CD1 4.08Å; L269-K272 HydrophobicContact CD2-CD 4.48Å; L269-I281 HydrophobicContact CD2-CD1 3.96Å; L269-I281 HydrophobicContact CD2-CG1 4.1Å; L269-I281 HydrophobicContact CD2-CG2 4.47Å; L269-I281 HydrophobicContact CG-CD1 3.71Å; L269-I281 HydrophobicContact CG-CG1 4.37Å; L269-N283 PolarHBondContact O-OD1 3.44Å
270K87.3Confident87.1Confident99 Ų9967 Ų6743%0.4339%0.392SS..EExtended strand (participates in β ladder)trans-109-34.3-176.4-84.8-149.7179.7-178.10115V263 E265 I268 I281V263-K270 PolarHBondContact O-N 3.35Å; E265-K270 HydrophobicContact CB-CD 4Å; E265-K270 HydrophobicContact CB-CG 4.17Å; E265-K270 HydrophobicContact CG-CD 3.92Å; E265-K270 HydrophobicContact CG-CG 4.48Å; E265-K270 VanDerWaalsContact OE1-CD 3.26Å; E265-K270 WeakPolarHBondContact OE1-CD 3.27Å; E265-K270 WeakPolarHBondContact OE1-CE 3.22Å; E265-K270 IonicContact OE1-NZ 3.03Å; E265-K270 PolarHBondContact OE1-NZ 2.68Å; E265-K270 VanDerWaalsContact OE2-CE 3.26Å; E265-K270 WeakPolarHBondContact OE2-CE 3.47Å; E265-K270 IonicContact OE2-NZ 2.99Å; E265-K270 PolarHBondContact OE2-NZ 3.33Å; I268-K270 PolarHBondContact O-N 2.9Å; K270-I281 WeakPolarHBondContact O-CD1 3.45Å
271M87.8Confident86.7Confident94 Ų9468.2 Ų68.246%0.46340%0.397SS..EExtended strand (participates in β ladder)trans-136.5134.1179.7-170.2179.271.400109.1E262 V263 I281E262-M271 CarbonylContact C-O 3.54Å; E262-M271 WeakPolarHBondContact CA-O 3.27Å; V263-M271 HydrophobicContact CB-CB 4.21Å; V263-M271 HydrophobicContact CB-CE 4.48Å; V263-M271 HydrophobicContact CG2-CE 3.73Å; V263-M271 PolarHBondContact N-O 3.3Å; V263-M271 PolarHBondContact O-N 2.91Å; M271-I281 VanDerWaalsContact CA-CD1 3.48Å; M271-I281 VanDerWaalsContact N-CD1 3.34Å
272K90.9Very high85.8Confident58 Ų5870.6 Ų70.625%0.25243%0.425SS..EExtended strand (participates in β ladder)trans-131.3132.3171.7-178.5160.8-179.61510107.7T260 I261 E262 L269 V279 I281T260-K272 HydrophobicContact CG2-CG 4.41Å; I261-K272 CarbonylContact O-C 3.6Å; I261-K272 VanDerWaalsContact O-CA 3.3Å; I261-K272 WeakPolarHBondContact O-CA 3.46Å; E262-K272 HydrophobicContact CG-CD 4.1Å; E262-K272 HydrophobicContact CG-CG 4.08Å; E262-K272 WeakPolarHBondContact OE1-CE 3.45Å; E262-K272 IonicContact OE1-NZ 2.71Å; E262-K272 PolarHBondContact OE1-NZ 2.86Å; L269-K272 HydrophobicContact CD2-CD 4.48Å; K272-V279 HydrophobicContact CG-CB 4.45Å; K272-V279 PolarHBondContact O-N 3.49Å; K272-I281 HydrophobicContact CB-CD1 3.84Å; K272-I281 HydrophobicContact CB-CG1 3.96Å
273T90.2Very high84.3Confident19 Ų1974.4 Ų74.412%0.11745%0.446CS..EExtended strand (participates in β ladder)trans-131.2126.6-178.1-53.80000107.7T260 I261 G276 Q277T260-T273 CarbonylContact C-O 3.49Å; T260-T273 VanDerWaalsContact CA-O 3.32Å; T260-T273 WeakPolarHBondContact CA-O 3.35Å; I261-T273 PolarHBondContact N-O 2.98Å; I261-T273 PolarHBondContact O-N 3.33Å; T273-G276 WeakPolarHBondContact CG2-O 3.43Å; T273-Q277 CarbonylContact C-O 3.51Å; T273-Q277 VanDerWaalsContact CA-O 3.28Å; T273-Q277 WeakPolarHBondContact CA-O 3.21Å; T273-Q277 WeakPolarHBondContact CG2-O 3.47Å
274I89.3Confident82.3Confident59 Ų5980.1 Ų80.130%0.30351%0.51SS..EExtended strand (participates in β ladder)trans-118122.6178.1-59.2-177.4000108I258 E259 T260 G276 Q277 V279I258-I274 HydrophobicContact CG2-CG2 3.59Å; E259-I274 CarbonylContact O-C 3.5Å; E259-I274 WeakPolarHBondContact O-CA 3.33Å; T260-I274 HydrophobicContact CG2-CG1 4.28Å; I274-G276 PolarHBondContact O-N 3.14Å; I274-Q277 PolarHBondContact N-O 3.43Å; I274-Q277 WeakPolarHBondContact O-CB 3.5Å; I274-Q277 PolarHBondContact O-N 3.09Å; I274-V279 HydrophobicContact CB-CG2 4.06Å; I274-V279 HydrophobicContact CD1-CG2 3.84Å; I274-V279 HydrophobicContact CG1-CG2 3.73Å
275N87.8Confident81.9Confident95 Ų9582.7 Ų82.751%0.50853%0.528SS..THydrogen-bonded Turntrans50.240.5-176-62.1-15.7000113.1I258 E259 Q277I258-N275 WeakPolarHBondContact CA-OD1 3.05Å; E259-N275 PolarHBondContact N-OD1 2.85Å; E259-N275 PolarHBondContact O-N 3.34Å; N275-Q277 PolarHBondContact O-N 3.3Å
276G85.4Confident81.8Confident60 Ų6084.7 Ų84.762%0.61955%0.545SS*.THydrogen-bonded Turntrans79.3-10.5-176.100000115.4T273 I274T273-G276 WeakPolarHBondContact CG2-O 3.43Å; I274-G276 PolarHBondContact O-N 3.14Å
277Q84.9Confident81.8Confident140 Ų14083.9 Ų83.965%0.65455%0.546SS*.EExtended strand (participates in β ladder)trans-88.3125.7178.1-62.9-62.3-24.400111.4T273 I274 N275 V279T273-Q277 CarbonylContact C-O 3.51Å; T273-Q277 VanDerWaalsContact CA-O 3.28Å; T273-Q277 WeakPolarHBondContact CA-O 3.21Å; T273-Q277 WeakPolarHBondContact CG2-O 3.47Å; I274-Q277 PolarHBondContact N-O 3.43Å; I274-Q277 WeakPolarHBondContact O-CB 3.5Å; I274-Q277 PolarHBondContact O-N 3.09Å; N275-Q277 PolarHBondContact O-N 3.3Å; Q277-V279 PolarHBondContact O-N 3.06Å
278P87.1Confident81.9Confident101 Ų10185.1 Ų85.166%0.65654%0.539SS*.EExtended strand (participates in β ladder)trans-68.2130176.428.7-33.6000110.4
279V88.7Confident81.7Confident64 Ų6483.6 Ų83.639%0.38854%0.539SS..EExtended strand (participates in β ladder)trans-102.9126.3176.4-178.70000108.1K272 I274 Q277 I281K272-V279 HydrophobicContact CG-CB 4.45Å; K272-V279 PolarHBondContact O-N 3.49Å; I274-V279 HydrophobicContact CB-CG2 4.06Å; I274-V279 HydrophobicContact CD1-CG2 3.84Å; I274-V279 HydrophobicContact CG1-CG2 3.73Å; Q277-V279 PolarHBondContact O-N 3.06Å; V279-I281 PolarHBondContact O-N 2.96Å
280A82.4Confident81.4Confident101 Ų10186.1 Ų86.184%0.83556%0.558SS**PPolyproline II helixtrans-61.7123176.400000110.5
281I80.5Confident80.9Confident46 Ų4685.1 Ų85.124%0.23657%0.567CS.*PPolyproline II helixtrans-92.8127.7172.3-63.7152000108L269 K270 M271 K272 V279 N283L269-I281 HydrophobicContact CD2-CD1 3.96Å; L269-I281 HydrophobicContact CD2-CG1 4.1Å; L269-I281 HydrophobicContact CD2-CG2 4.47Å; L269-I281 HydrophobicContact CG-CD1 3.71Å; L269-I281 HydrophobicContact CG-CG1 4.37Å; K270-I281 WeakPolarHBondContact O-CD1 3.45Å; M271-I281 VanDerWaalsContact CA-CD1 3.48Å; M271-I281 VanDerWaalsContact N-CD1 3.34Å; K272-I281 HydrophobicContact CB-CD1 3.84Å; K272-I281 HydrophobicContact CB-CG1 3.96Å; V279-I281 PolarHBondContact O-N 2.96Å; I281-N283 VanDerWaalsContact C-N 3.27Å; I281-N283 WeakPolarHBondContact CG2-OD1 3.29Å; I281-N283 PolarHBondContact O-N 3.34Å
282A71.7Confident80.4Confident102 Ų10284.5 Ų84.584%0.84358%0.575SS**  trans-73.183.4170.500000109.7G284A282-G284 VanDerWaalsContact C-N 3.34Å; A282-G284 PolarHBondContact O-N 2.71Å; A282-G284 VanDerWaalsContact O-N 3.08Å
283N60.6Low79.5Confident109 Ų10986.7 Ų86.758%0.58360%0.602SS**  trans-75.188.1168.5-68.2-37.9000108.7L269 I281L269-N283 PolarHBondContact O-OD1 3.44Å; I281-N283 VanDerWaalsContact C-N 3.27Å; I281-N283 WeakPolarHBondContact CG2-OD1 3.29Å; I281-N283 PolarHBondContact O-N 3.34Å
284G45.8Very low78.6Confident144 Ų14492.8 Ų92.8100%1.48565%0.646SS**  trans-101.90174.300000112.4A282A282-G284 VanDerWaalsContact C-N 3.34Å; A282-G284 PolarHBondContact O-N 2.71Å; A282-G284 VanDerWaalsContact O-N 3.08Å

Retrieved 284 of 284 residues in 107.5 ms (Link to these results)

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