A0A096NXA0_PAPAN Loading...

Fat storage inducing transmembrane protein 2

AlphaFold DB , UniProt , Accession A0A096NXA0, Species PAPAN (Papio anubis, Olive baboon), Gene FITM2, Length 262 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M60.4Low71.1Confident155 Ų155104.8 Ų104.876%0.76449%0.485SS*.  0-46.20-67.8-168.2-62.900111H3 L4 E5M1-H3 PolarHBondContact O-N 3.46Å; M1-L4 WeakPolarHBondContact O-CB 3.42Å; M1-L4 PolarHBondContact O-N 3.34Å; M1-E5 PolarHBondContact O-N 3.21Å; M1-E5 VanDerWaalsContact O-N 3.09Å
2E73.6Confident70.9Confident145 Ų145101.9 Ų101.968%0.67847%0.467SS*.Hα-helixtrans-54.1-39.7-178.9-59.9-172.2146.500116.2R6E2-R6 WeakPolarHBondContact O-CB 3.42Å; E2-R6 PolarHBondContact O-N 3.25Å
3H74.1Confident70.1Confident155 Ų15596.8 Ų96.872%0.71846%0.46SS*.Hα-helixtrans-67.3-36177-76.8-75.9000113.1M1 C7M1-H3 PolarHBondContact O-N 3.46Å; H3-C7 PolarHBondContact O-N 2.98Å
4L71.7Confident70Confident61 Ų6195.3 Ų95.332%0.31946%0.46SS..Hα-helixtrans-69.6-43.3178.8-171.674.6000110.1M1 R6 C7 E8 T189 V193M1-L4 WeakPolarHBondContact O-CB 3.42Å; M1-L4 PolarHBondContact O-N 3.34Å; L4-R6 PolarHBondContact O-N 3.38Å; L4-C7 PolarHBondContact O-N 3.45Å; L4-E8 WeakPolarHBondContact O-CB 3.29Å; L4-E8 PolarHBondContact O-N 3Å; L4-T189 HydrophobicContact CD1-CG2 4.45Å; L4-T189 HydrophobicContact CD2-CG2 3.8Å; L4-T189 HydrophobicContact CG-CG2 3.74Å; L4-V193 HydrophobicContact CD1-CB 4.46Å; L4-V193 HydrophobicContact CD1-CG2 3.93Å
5E72.5Confident69.6Low95 Ų9590.6 Ų90.644%0.44444%0.438SS..Hα-helixtrans-63.9-39.3176.5-69.3173.4173.900112M1 E8 W9M1-E5 PolarHBondContact O-N 3.21Å; M1-E5 VanDerWaalsContact O-N 3.09Å; E5-E8 PolarHBondContact O-N 3.35Å; E5-W9 WeakPolarHBondContact O-CB 3.06Å; E5-W9 PolarHBondContact O-N 2.86Å
6R76.9Confident69.4Low160 Ų16086.8 Ų86.860%0.60442%0.421SS*.Hα-helixtrans-65-43.8174.9-165.8-177.5-56.5-157.42112.1E2 L4 W9 L10E2-R6 WeakPolarHBondContact O-CB 3.42Å; E2-R6 PolarHBondContact O-N 3.25Å; L4-R6 PolarHBondContact O-N 3.38Å; R6-W9 PolarHBondContact O-N 2.96Å; R6-L10 HydrophobicContact CG-CD1 4.49Å; R6-L10 WeakPolarHBondContact O-CG 3.34Å; R6-L10 PolarHBondContact O-N 2.66Å
7C74Confident69.6Low62 Ų6291.1 Ų91.142%0.41943%0.432SS..Hα-helixtrans-62.6-44.1174.1-930000111.6H3 L4 W9 L10 L11 V193H3-C7 PolarHBondContact O-N 2.98Å; L4-C7 PolarHBondContact O-N 3.45Å; C7-W9 VanDerWaalsContact C-N 3.34Å; C7-W9 PolarHBondContact O-N 2.88Å; C7-L10 PolarHBondContact O-N 3.19Å; C7-L11 WeakPolarHBondContact O-CB 3.41Å; C7-L11 WeakPolarHBondContact O-CD1 3.43Å; C7-L11 VanDerWaalsContact O-CG 3.23Å; C7-L11 WeakPolarHBondContact O-CG 3.37Å; C7-L11 PolarHBondContact O-N 3.33Å; C7-V193 HydrophobicContact CB-CG2 4.32Å
8E70Confident69.7Low13 Ų1389.7 Ų89.76%0.06144%0.438CS..Hα-helixtrans-59.3-46.5175.8-170.2-167.8159.800111.2L4 E5 L10 L11 R12 H185 T189L4-E8 WeakPolarHBondContact O-CB 3.29Å; L4-E8 PolarHBondContact O-N 3Å; E5-E8 PolarHBondContact O-N 3.35Å; E8-L10 PolarHBondContact O-N 3.36Å; E8-L11 PolarHBondContact O-N 3.48Å; E8-R12 HydrophobicContact CG-CG 4.42Å; E8-R12 WeakPolarHBondContact O-CB 3.22Å; E8-R12 PolarHBondContact O-N 2.89Å; E8-R12 IonicContact OE1-CZ 2.88Å; E8-R12 IonicContact OE1-NE 3.41Å; E8-R12 PolarHBondContact OE1-NE 2.67Å; E8-R12 IonicContact OE1-NH2 3.76Å; E8-R12 PolarHBondContact OE1-NH2 3.49Å; E8-R12 VanDerWaalsContact OE1-NH2 3.17Å; E8-H185 IonicContact OE2-NE2 3.17Å; E8-T189 HydrophobicContact CB-CG2 3.86Å; E8-T189 VanDerWaalsContact CD-OG1 3.3Å; E8-T189 HydrophobicContact CG-CG2 3.96Å; E8-T189 WeakPolarHBondContact OE2-CB 3.5Å; E8-T189 WeakPolarHBondContact OE2-CG2 3.36Å; E8-T189 PolarHBondContact OE2-OG1 3.35Å
9W69.6Low70Confident189 Ų18987 Ų8772%0.71643%0.432SS*.Hα-helixtrans-61.6-43.6179.5-176.886000111.8E5 R6 C7 G13E5-W9 WeakPolarHBondContact O-CB 3.06Å; E5-W9 PolarHBondContact O-N 2.86Å; R6-W9 PolarHBondContact O-N 2.96Å; C7-W9 VanDerWaalsContact C-N 3.34Å; C7-W9 PolarHBondContact O-N 2.88Å; W9-G13 PolarHBondContact O-N 3.25Å
10L71.7Confident70.5Confident90 Ų9085 Ų8547%0.47143%0.425SS..Hα-helixtrans-62.7-44.1174.3-74.5168.1000112R6 C7 E8 G13 T14R6-L10 HydrophobicContact CG-CD1 4.49Å; R6-L10 WeakPolarHBondContact O-CG 3.34Å; R6-L10 PolarHBondContact O-N 2.66Å; C7-L10 PolarHBondContact O-N 3.19Å; E8-L10 PolarHBondContact O-N 3.36Å; L10-G13 PolarHBondContact O-N 2.68Å; L10-T14 WeakPolarHBondContact O-CB 3.16Å; L10-T14 WeakPolarHBondContact O-CG2 3.37Å; L10-T14 PolarHBondContact O-N 2.88Å; L10-T14 PolarHBondContact O-OG1 3.17Å
11L67.9Low71.2Confident28 Ų2883.8 Ų83.815%0.14742%0.415CS..Hα-helixtrans-66.8-43.5178.9-74.8166.5000112C7 E8 G13 T14 L15 V193C7-L11 WeakPolarHBondContact O-CB 3.41Å; C7-L11 WeakPolarHBondContact O-CD1 3.43Å; C7-L11 VanDerWaalsContact O-CG 3.23Å; C7-L11 WeakPolarHBondContact O-CG 3.37Å; C7-L11 PolarHBondContact O-N 3.33Å; E8-L11 PolarHBondContact O-N 3.48Å; L11-G13 VanDerWaalsContact C-N 3.31Å; L11-G13 PolarHBondContact O-N 3.4Å; L11-T14 PolarHBondContact O-N 2.96Å; L11-T14 PolarHBondContact O-OG1 2.75Å; L11-L15 HydrophobicContact CD2-CD1 3.47Å; L11-L15 VanDerWaalsContact CD2-CD1 3.47Å; L11-L15 PolarHBondContact O-N 2.99Å; L11-V193 HydrophobicContact CD1-CB 4.19Å; L11-V193 HydrophobicContact CD1-CG1 4.45Å; L11-V193 HydrophobicContact CD1-CG2 3.89Å
12R68.4Low72.4Confident70 Ų7085.3 Ų85.326%0.26441%0.412SS..Hα-helixtrans-59.4-41.5170.8-83.9-177.4-178.7-111.911.8111.2E8 T14 V16 L173 T178E8-R12 HydrophobicContact CG-CG 4.42Å; E8-R12 WeakPolarHBondContact O-CB 3.22Å; E8-R12 PolarHBondContact O-N 2.89Å; E8-R12 IonicContact OE1-CZ 2.88Å; E8-R12 IonicContact OE1-NE 3.41Å; E8-R12 PolarHBondContact OE1-NE 2.67Å; E8-R12 IonicContact OE1-NH2 3.76Å; E8-R12 PolarHBondContact OE1-NH2 3.49Å; E8-R12 VanDerWaalsContact OE1-NH2 3.17Å; R12-T14 VanDerWaalsContact C-N 3.32Å; R12-T14 PolarHBondContact O-N 3.14Å; R12-V16 WeakPolarHBondContact O-CB 3.23Å; R12-L173 HydrophobicContact CG-CD2 3.44Å; R12-L173 VanDerWaalsContact CG-CD2 3.44Å; R12-L173 HydrophobicContact CG-CG 4.03Å; R12-L173 VanDerWaalsContact CZ-CG 3.42Å; R12-L173 PolarHBondContact NH1-O 3.44Å; R12-T178 PolarHBondContact NH2-OG1 2.95Å
13G60.8Low73.2Confident36 Ų3685.4 Ų85.437%0.37141%0.408SS..Hα-helixtrans-69.4-26.6179.800000114.6W9 L10 L11 R17W9-G13 PolarHBondContact O-N 3.25Å; L10-G13 PolarHBondContact O-N 2.68Å; L11-G13 VanDerWaalsContact C-N 3.31Å; L11-G13 PolarHBondContact O-N 3.4Å; G13-R17 PolarHBondContact O-NE 3.3Å
14T68.1Low74.1Confident75 Ų7579.1 Ų79.146%0.4638%0.379SS..Hα-helixtrans-104.8-70.8-174.452.40000112.2L10 L11 R12 V16 R17 V20L10-T14 WeakPolarHBondContact O-CB 3.16Å; L10-T14 WeakPolarHBondContact O-CG2 3.37Å; L10-T14 PolarHBondContact O-N 2.88Å; L10-T14 PolarHBondContact O-OG1 3.17Å; L11-T14 PolarHBondContact O-N 2.96Å; L11-T14 PolarHBondContact O-OG1 2.75Å; R12-T14 VanDerWaalsContact C-N 3.32Å; R12-T14 PolarHBondContact O-N 3.14Å; T14-V16 PolarHBondContact O-N 3.12Å; T14-R17 VanDerWaalsContact O-CB 3.31Å; T14-R17 WeakPolarHBondContact O-CB 3.24Å; T14-R17 PolarHBondContact O-N 3.48Å; T14-V20 WeakPolarHBondContact O-CG2 3.11Å
15L64.3Low75.2Confident25 Ų2576.8 Ų76.813%0.13137%0.368CS..THydrogen-bonded Turntrans-67.3-31-172.8-91.7148.1000114.2L11 R17 V167 M170 T199L11-L15 HydrophobicContact CD2-CD1 3.47Å; L11-L15 VanDerWaalsContact CD2-CD1 3.47Å; L11-L15 PolarHBondContact O-N 2.99Å; L15-R17 VanDerWaalsContact C-N 3.31Å; L15-V167 HydrophobicContact CD2-CG2 3.64Å; L15-M170 HydrophobicContact CB-CE 4.4Å; L15-T199 HydrophobicContact CD2-CG2 4.02Å
16V66.6Low76.2Confident29 Ų2981.1 Ų81.118%0.17638%0.38CS..THydrogen-bonded Turntrans-84.8-8.2179.9-1750000112.1R12 T14 A18 L173R12-V16 WeakPolarHBondContact O-CB 3.23Å; T14-V16 PolarHBondContact O-N 3.12Å; V16-A18 PolarHBondContact O-N 3.07Å; V16-L173 HydrophobicContact CG1-CB 4.35Å; V16-L173 HydrophobicContact CG2-CB 4.17Å; V16-L173 HydrophobicContact CG2-CD2 3.96Å
17R72.8Confident77Confident160 Ų16076 Ų7660%0.60437%0.372SS*.SBendtrans-66.5128.4179.2-167.8179.2-78.3-123.4-1.6109.4G13 T14 L15 A19 V20 R21G13-R17 PolarHBondContact O-NE 3.3Å; T14-R17 VanDerWaalsContact O-CB 3.31Å; T14-R17 WeakPolarHBondContact O-CB 3.24Å; T14-R17 PolarHBondContact O-N 3.48Å; L15-R17 VanDerWaalsContact C-N 3.31Å; R17-A19 HydrophobicContact CG-CB 3.96Å; R17-A19 PolarHBondContact O-N 3.03Å; R17-V20 HydrophobicContact CB-CG2 4.5Å; R17-V20 PolarHBondContact O-N 2.93Å; R17-R21 PolarHBondContact O-N 2.8Å
18A71Confident78Confident66 Ų6673.1 Ų73.155%0.54535%0.353SS..Hα-helixtrans-52.9-28.3177.100000113.3V16 R22V16-A18 PolarHBondContact O-N 3.07Å; A18-R22 WeakPolarHBondContact O-CB 3.45Å; A18-R22 PolarHBondContact O-N 2.98Å; A18-R22 VanDerWaalsContact O-N 3.07Å
19A74.8Confident79.2Confident39 Ų3974.4 Ų74.432%0.32236%0.361SS..Hα-helixtrans-61.4-46.3172.100000112.6R17 R21 R22 Y23R17-A19 HydrophobicContact CG-CB 3.96Å; R17-A19 PolarHBondContact O-N 3.03Å; A19-R21 PolarHBondContact O-N 2.89Å; A19-R22 PolarHBondContact O-N 3.41Å; A19-Y23 HydrophobicContact CB-CD2 4.12Å; A19-Y23 HydrophobicContact CB-CE2 4.22Å; A19-Y23 WeakPolarHBondContact O-CB 3.43Å; A19-Y23 WeakPolarHBondContact O-CD2 3.31Å; A19-Y23 PolarHBondContact O-N 2.68Å
20V80.9Confident80.3Confident47 Ų4768.1 Ų68.129%0.28535%0.349SS..Hα-helixtrans-62.4-46.1179.5170.90000110.3T14 R17 R22 Y23 L24T14-V20 WeakPolarHBondContact O-CG2 3.11Å; R17-V20 HydrophobicContact CB-CG2 4.5Å; R17-V20 PolarHBondContact O-N 2.93Å; V20-R22 VanDerWaalsContact C-N 3.27Å; V20-R22 PolarHBondContact O-N 3.39Å; V20-Y23 PolarHBondContact O-N 3.09Å; V20-L24 WeakPolarHBondContact O-CB 3.4Å; V20-L24 PolarHBondContact O-N 3.17Å
21R85.6Confident81.3Confident60 Ų6065.2 Ų65.223%0.22634%0.337CS..Hα-helixtrans-57.8-39.1175.5-172.7171.865.3-174.92.7113.1R17 A19 P25 V167 E168 S171R17-R21 PolarHBondContact O-N 2.8Å; A19-R21 PolarHBondContact O-N 2.89Å; R21-P25 WeakPolarHBondContact O-CD 3.36Å; R21-V167 HydrophobicContact CB-CG1 4.07Å; R21-V167 HydrophobicContact CG-CG1 4.33Å; R21-E168 VanDerWaalsContact CD-CD 3.47Å; R21-E168 WeakPolarHBondContact CD-OE1 3.38Å; R21-E168 VanDerWaalsContact CD-OE2 3.27Å; R21-E168 WeakPolarHBondContact CD-OE2 3.4Å; R21-E168 WeakPolarHBondContact CG-OE1 3.32Å; R21-E168 IonicContact NH1-OE2 2.85Å; R21-S171 PolarHBondContact NH1-OG 2.9Å
22R86.1Confident82.5Confident186 Ų18664.1 Ų64.170%0.70233%0.331SS*.Hα-helixtrans-73.4-38179-172.4172.6-174.1163.11.2113.1A18 A19 V20A18-R22 WeakPolarHBondContact O-CB 3.45Å; A18-R22 PolarHBondContact O-N 2.98Å; A18-R22 VanDerWaalsContact O-N 3.07Å; A19-R22 PolarHBondContact O-N 3.41Å; V20-R22 VanDerWaalsContact C-N 3.27Å; V20-R22 PolarHBondContact O-N 3.39Å
23Y90.4Very high83.7Confident147 Ų14764.8 Ų64.858%0.57634%0.339SS*.Hα-helixtrans-95.7-20.5-173.3-67.8-62000114.1A19 V20 W26 A27A19-Y23 HydrophobicContact CB-CD2 4.12Å; A19-Y23 HydrophobicContact CB-CE2 4.22Å; A19-Y23 WeakPolarHBondContact O-CB 3.43Å; A19-Y23 WeakPolarHBondContact O-CD2 3.31Å; A19-Y23 PolarHBondContact O-N 2.68Å; V20-Y23 PolarHBondContact O-N 3.09Å; Y23-W26 WeakPolarHBondContact O-CB 3.38Å; Y23-W26 PolarHBondContact O-N 3.03Å; Y23-W26 VanDerWaalsContact O-N 3.15Å; Y23-A27 WeakPolarHBondContact O-CB 3.25Å; Y23-A27 PolarHBondContact O-N 3.23Å
24L91.9Very high85.2Confident24 Ų2465.9 Ų65.913%0.12635%0.345CS..Hα-helixtrans-57.9-45.2-178.8178.863.1000113.5V20 W26 A27 L28 L164 V167V20-L24 WeakPolarHBondContact O-CB 3.4Å; V20-L24 PolarHBondContact O-N 3.17Å; L24-W26 VanDerWaalsContact C-N 3.28Å; L24-W26 PolarHBondContact O-N 2.9Å; L24-A27 PolarHBondContact O-N 2.61Å; L24-L28 HydrophobicContact CD1-CD1 4.28Å; L24-L28 HydrophobicContact CD1-CG 4.12Å; L24-L28 HydrophobicContact CG-CD1 4.16Å; L24-L28 HydrophobicContact CG-CG 4.44Å; L24-L28 WeakPolarHBondContact O-CG 3.37Å; L24-L28 PolarHBondContact O-N 2.94Å; L24-L164 HydrophobicContact CB-CD2 4.4Å; L24-L164 HydrophobicContact CD2-CD2 3.96Å; L24-L164 HydrophobicContact CG-CD2 3.94Å; L24-V167 HydrophobicContact CD2-CB 4.12Å; L24-V167 HydrophobicContact CD2-CG1 4.37Å; L24-V167 HydrophobicContact CD2-CG2 3.47Å; L24-V167 VanDerWaalsContact CD2-CG2 3.47Å
25P94.4Very high86.1Confident11 Ų1162.7 Ų62.77%0.07133%0.326CS..Hα-helixtrans-55.7-44.3174.9-23.131.1000112.3R21 L28 V29 L164 L227 W230R21-P25 WeakPolarHBondContact O-CD 3.36Å; P25-L28 PolarHBondContact O-N 3.04Å; P25-V29 WeakPolarHBondContact O-CG2 3.32Å; P25-V29 PolarHBondContact O-N 2.85Å; P25-L164 HydrophobicContact CB-CD2 4.38Å; P25-L164 HydrophobicContact CG-CD2 3.74Å; P25-L227 HydrophobicContact CB-CD2 3.82Å; P25-W230 HydrophobicContact CB-CH2 4.43Å; P25-W230 HydrophobicContact CB-CZ3 4.19Å; P25-W230 HydrophobicContact CG-CE3 4.47Å; P25-W230 HydrophobicContact CG-CH2 3.57Å; P25-W230 HydrophobicContact CG-CZ2 4.12Å; P25-W230 HydrophobicContact CG-CZ3 3.77Å
26W94.3Very high87.3Confident186 Ų18661.6 Ų61.671%0.70532%0.321SS*.Hα-helixtrans-67.6-39178.6-62.2107.6000112.2Y23 L24 L28 V29 A30Y23-W26 WeakPolarHBondContact O-CB 3.38Å; Y23-W26 PolarHBondContact O-N 3.03Å; Y23-W26 VanDerWaalsContact O-N 3.15Å; L24-W26 VanDerWaalsContact C-N 3.28Å; L24-W26 PolarHBondContact O-N 2.9Å; W26-L28 VanDerWaalsContact C-N 3.35Å; W26-V29 PolarHBondContact O-N 3.44Å; W26-A30 VanDerWaalsContact O-CB 3.3Å; W26-A30 WeakPolarHBondContact O-CB 3.44Å; W26-A30 PolarHBondContact O-N 3.49Å
27A93.7Very high88.3Confident52 Ų5264.8 Ų64.843%0.4334%0.336SS..Hα-helixtrans-63.7-39.6175.100000111.7Y23 L24 S31Y23-A27 WeakPolarHBondContact O-CB 3.25Å; Y23-A27 PolarHBondContact O-N 3.23Å; L24-A27 PolarHBondContact O-N 2.61Å; A27-S31 WeakPolarHBondContact O-CB 3.46Å; A27-S31 PolarHBondContact O-N 2.66Å; A27-S31 PolarHBondContact O-OG 3.45Å
28L94.6Very high89Confident3 Ų360.8 Ų60.82%0.01633%0.327CS..Hα-helixtrans-64.9-43.3175-68.4171.5000111.5L24 P25 W26 S31 M32 T160 L164 F206L24-L28 HydrophobicContact CD1-CD1 4.28Å; L24-L28 HydrophobicContact CD1-CG 4.12Å; L24-L28 HydrophobicContact CG-CD1 4.16Å; L24-L28 HydrophobicContact CG-CG 4.44Å; L24-L28 WeakPolarHBondContact O-CG 3.37Å; L24-L28 PolarHBondContact O-N 2.94Å; P25-L28 PolarHBondContact O-N 3.04Å; W26-L28 VanDerWaalsContact C-N 3.35Å; L28-S31 WeakPolarHBondContact CA-OG 3.48Å; L28-S31 PolarHBondContact O-OG 3.29Å; L28-S31 VanDerWaalsContact O-OG 3.04Å; L28-M32 WeakPolarHBondContact O-CB 3.4Å; L28-M32 PolarHBondContact O-N 3.18Å; L28-T160 HydrophobicContact CD1-CG2 4.04Å; L28-L164 HydrophobicContact CD1-CD1 4.48Å; L28-L164 HydrophobicContact CD1-CD2 4.16Å; L28-L164 HydrophobicContact CD1-CG 4.13Å; L28-F206 HydrophobicContact CB-CE1 4.24Å; L28-F206 HydrophobicContact CB-CZ 4.43Å; L28-F206 HydrophobicContact CD2-CD1 3.83Å; L28-F206 HydrophobicContact CD2-CE1 4Å; L28-F206 HydrophobicContact CD2-CG 4.32Å; L28-F206 VanDerWaalsContact O-CE1 3.29Å; L28-F206 WeakPolarHBondContact O-CE1 3.43Å
29V94.8Very high89.6Confident39 Ų3960.7 Ų60.724%0.23631%0.314CS..Hα-helixtrans-62.1-51174.5174.20000111.2P25 W26 S31 M32 L33 L227P25-V29 WeakPolarHBondContact O-CG2 3.32Å; P25-V29 PolarHBondContact O-N 2.85Å; W26-V29 PolarHBondContact O-N 3.44Å; V29-S31 VanDerWaalsContact C-N 3.35Å; V29-S31 PolarHBondContact O-N 3.43Å; V29-M32 PolarHBondContact O-N 3.07Å; V29-L33 HydrophobicContact CG1-CD1 4.04Å; V29-L33 WeakPolarHBondContact O-CG 3.41Å; V29-L33 PolarHBondContact O-N 3.12Å; V29-L227 HydrophobicContact CG2-CD1 3.52Å
30A94Very high90Very high57 Ų5765.3 Ų65.347%0.47133%0.329SS..Hα-helixtrans-60.5-44.7-178.500000111.7W26 M32 L33 A34W26-A30 VanDerWaalsContact O-CB 3.3Å; W26-A30 WeakPolarHBondContact O-CB 3.44Å; W26-A30 PolarHBondContact O-N 3.49Å; A30-M32 PolarHBondContact O-N 3.27Å; A30-L33 PolarHBondContact O-N 3.38Å; A30-A34 VanDerWaalsContact O-CB 3.24Å; A30-A34 WeakPolarHBondContact O-CB 3.36Å; A30-A34 PolarHBondContact O-N 3.16Å
31S92.5Very high90.2Very high29 Ų2969.3 Ų69.320%0.20335%0.348CS..Hα-helixtrans-67.9-33.3178.860.80000113.3A27 L28 V29 G35 L207A27-S31 WeakPolarHBondContact O-CB 3.46Å; A27-S31 PolarHBondContact O-N 2.66Å; A27-S31 PolarHBondContact O-OG 3.45Å; L28-S31 WeakPolarHBondContact CA-OG 3.48Å; L28-S31 PolarHBondContact O-OG 3.29Å; L28-S31 VanDerWaalsContact O-OG 3.04Å; V29-S31 VanDerWaalsContact C-N 3.35Å; V29-S31 PolarHBondContact O-N 3.43Å; S31-G35 PolarHBondContact O-N 3.07Å; S31-L207 VanDerWaalsContact CB-CD2 3.49Å
32M93.7Very high89.8Confident6 Ų668.9 Ų68.93%0.0335%0.354CS..Hα-helixtrans-67-44.3173.3-179.1-83.3-64.300112.1L28 V29 A30 S36 F206 L216 K219 V220L28-M32 WeakPolarHBondContact O-CB 3.4Å; L28-M32 PolarHBondContact O-N 3.18Å; V29-M32 PolarHBondContact O-N 3.07Å; A30-M32 PolarHBondContact O-N 3.27Å; M32-S36 VanDerWaalsContact O-CB 3.31Å; M32-S36 WeakPolarHBondContact O-CB 3.22Å; M32-S36 PolarHBondContact O-N 2.98Å; M32-S36 PolarHBondContact O-OG 3.47Å; M32-F206 HydrophobicContact CB-CE1 3.86Å; M32-F206 HydrophobicContact CB-CZ 3.67Å; M32-F206 HydrophobicContact CG-CZ 4.16Å; M32-L216 HydrophobicContact SD-CD1 4.34Å; M32-K219 HydrophobicContact CG-CB 4.2Å; M32-K219 HydrophobicContact SD-CB 4.06Å; M32-V220 HydrophobicContact CE-CB 4.15Å; M32-V220 HydrophobicContact CE-CG2 3.61Å; M32-V220 HydrophobicContact SD-CG2 3.8Å
33L93.3Very high89.2Confident84 Ų8465.4 Ų65.444%0.4436%0.356SS..Hα-helixtrans-65.3-47.8177-67.7175.1000110.9V29 A30 G35 S36 L37 L216 V220V29-L33 HydrophobicContact CG1-CD1 4.04Å; V29-L33 WeakPolarHBondContact O-CG 3.41Å; V29-L33 PolarHBondContact O-N 3.12Å; A30-L33 PolarHBondContact O-N 3.38Å; L33-G35 PolarHBondContact O-N 3.12Å; L33-S36 PolarHBondContact O-N 3.1Å; L33-L37 WeakPolarHBondContact O-CB 3.05Å; L33-L37 PolarHBondContact O-N 3.4Å; L33-L216 HydrophobicContact CD2-CD1 4.33Å; L33-V220 HydrophobicContact CD2-CG2 4.49Å
34A91.3Very high88.3Confident59 Ų5962 Ų6249%0.48835%0.347SS..Hα-helixtrans-61.4-44.9177.600000111.9A30 S36 L37 L38A30-A34 VanDerWaalsContact O-CB 3.24Å; A30-A34 WeakPolarHBondContact O-CB 3.36Å; A30-A34 PolarHBondContact O-N 3.16Å; A34-S36 VanDerWaalsContact C-N 3.33Å; A34-S36 PolarHBondContact O-N 2.86Å; A34-L37 PolarHBondContact O-N 3.31Å; A34-L38 WeakPolarHBondContact O-CB 3.31Å; A34-L38 PolarHBondContact O-N 3.23Å
35G88.1Confident87.3Confident7 Ų765.7 Ų65.77%0.07237%0.373CS..Hα-helixtrans-65.3-35.7177.600000113S31 L33 K39 A210S31-G35 PolarHBondContact O-N 3.07Å; L33-G35 PolarHBondContact O-N 3.12Å; G35-K39 PolarHBondContact O-N 3.01Å; G35-A210 CarbonylContact C-O 3.46Å
36S88.7Confident86.1Confident3 Ų373 Ų732%0.02141%0.406CS..Hα-helixtrans-70.7-40.9176-58.90000112M32 L33 A34 K39 E40 L216 K219M32-S36 VanDerWaalsContact O-CB 3.31Å; M32-S36 WeakPolarHBondContact O-CB 3.22Å; M32-S36 PolarHBondContact O-N 2.98Å; M32-S36 PolarHBondContact O-OG 3.47Å; L33-S36 PolarHBondContact O-N 3.1Å; A34-S36 VanDerWaalsContact C-N 3.33Å; A34-S36 PolarHBondContact O-N 2.86Å; S36-K39 WeakPolarHBondContact O-CB 3.43Å; S36-K39 PolarHBondContact O-N 3.47Å; S36-E40 PolarHBondContact O-N 2.97Å; S36-L216 VanDerWaalsContact CB-CD1 3.42Å; S36-K219 VanDerWaalsContact OG-CD 3.31Å; S36-K219 WeakPolarHBondContact OG-CD 3.31Å
37L88.4Confident85.1Confident95 Ų9566.3 Ų66.350%0.49739%0.387SS..Hα-helixtrans-63.9-42.5173.5-179.963.6000111.2L33 A34 K39 E40 L41L33-L37 WeakPolarHBondContact O-CB 3.05Å; L33-L37 PolarHBondContact O-N 3.4Å; A34-L37 PolarHBondContact O-N 3.31Å; L37-K39 VanDerWaalsContact C-N 3.28Å; L37-K39 PolarHBondContact O-N 3.4Å; L37-E40 PolarHBondContact O-N 3.34Å; L37-E40 VanDerWaalsContact O-N 3.12Å; L37-L41 HydrophobicContact CD1-CD1 3.92Å; L37-L41 HydrophobicContact CD1-CG 4.01Å; L37-L41 HydrophobicContact CD2-CD1 4.24Å; L37-L41 HydrophobicContact CG-CD1 3.7Å; L37-L41 HydrophobicContact CG-CG 4.2Å; L37-L41 WeakPolarHBondContact O-CB 3.41Å; L37-L41 WeakPolarHBondContact O-CG 3.35Å; L37-L41 PolarHBondContact O-N 2.83Å
38L87.5Confident84Confident77 Ų7770.4 Ų70.440%0.40339%0.393SS..Hα-helixtrans-59.6-40.8176.5-176.165.5000111.5A34 E40 L41 S42 V211A34-L38 WeakPolarHBondContact O-CB 3.31Å; A34-L38 PolarHBondContact O-N 3.23Å; L38-E40 VanDerWaalsContact C-N 3.31Å; L38-E40 PolarHBondContact O-N 3.34Å; L38-L41 PolarHBondContact O-N 3.12Å; L38-S42 WeakPolarHBondContact CD1-OG 3.47Å; L38-S42 CarbonylContact O-C 3.54Å; L38-S42 PolarHBondContact O-N 2.77Å; L38-S42 PolarHBondContact O-OG 2.93Å; L38-V211 HydrophobicContact CD2-CG1 4.42Å; L38-V211 HydrophobicContact CD2-CG2 4.48Å
39K83.4Confident82.7Confident64 Ų6472.9 Ų72.928%0.27841%0.406SS..Hα-helixtrans-60.8-39.4175-178.4-177.9176.2168.20112.4G35 S36 L37 V211 Y212 F213 H214G35-K39 PolarHBondContact O-N 3.01Å; S36-K39 WeakPolarHBondContact O-CB 3.43Å; S36-K39 PolarHBondContact O-N 3.47Å; L37-K39 VanDerWaalsContact C-N 3.28Å; L37-K39 PolarHBondContact O-N 3.4Å; K39-V211 WeakPolarHBondContact CB-O 3.28Å; K39-V211 VanDerWaalsContact CD-O 3.32Å; K39-V211 WeakPolarHBondContact CD-O 3.42Å; K39-V211 WeakPolarHBondContact CG-O 3.41Å; K39-Y212 PolarHBondContact NZ-O 3.44Å; K39-F213 PolarHBondContact NZ-O 3.5Å; K39-F213 VanDerWaalsContact NZ-O 3.11Å; K39-H214 PolarHBondContact NZ-O 3.14Å
40E83.2Confident81.2Confident135 Ų13571.9 Ų71.963%0.63140%0.401SS*.Hα-helixtrans-74.3-38.6178.9-72.4-179.3-171.900112.6S36 L37 L38S36-E40 PolarHBondContact O-N 2.97Å; L37-E40 PolarHBondContact O-N 3.34Å; L37-E40 VanDerWaalsContact O-N 3.12Å; L38-E40 VanDerWaalsContact C-N 3.31Å; L38-E40 PolarHBondContact O-N 3.34Å
41L84.4Confident80Confident132 Ų13273.3 Ų73.369%0.69140%0.4SS*.Hα-helixtrans-77.9-36.7-178.7-68.3174.8000113.2L37 L38L37-L41 HydrophobicContact CD1-CD1 3.92Å; L37-L41 HydrophobicContact CD1-CG 4.01Å; L37-L41 HydrophobicContact CD2-CD1 4.24Å; L37-L41 HydrophobicContact CG-CD1 3.7Å; L37-L41 HydrophobicContact CG-CG 4.2Å; L37-L41 WeakPolarHBondContact O-CB 3.41Å; L37-L41 WeakPolarHBondContact O-CG 3.35Å; L37-L41 PolarHBondContact O-N 2.83Å; L38-L41 PolarHBondContact O-N 3.12Å
42S76.9Confident78.7Confident51 Ų5178.9 Ų78.936%0.35742%0.421SS..SBendtrans-15095.5-176.957.10000110L38 L44L38-S42 WeakPolarHBondContact CD1-OG 3.47Å; L38-S42 CarbonylContact O-C 3.54Å; L38-S42 PolarHBondContact O-N 2.77Å; L38-S42 PolarHBondContact O-OG 2.93Å; S42-L44 PolarHBondContact O-N 2.57Å
43P73.1Confident77.3Confident113 Ų11388.5 Ų88.573%0.73446%0.457SS*.  trans-60.5114174.422.9-30.6000109
44L71.3Confident76.6Confident74 Ų7484.7 Ų84.739%0.38744%0.437SS..PPolyproline II helixtrans-63146.6179.5-74.6-177.2000110.4S42 V211 Y212S42-L44 PolarHBondContact O-N 2.57Å; L44-V211 HydrophobicContact CD1-CG1 3.39Å; L44-V211 HydrophobicContact CG-CG1 4.04Å; L44-Y212 HydrophobicContact CB-CE1 3.98Å; L44-Y212 HydrophobicContact CD1-CE1 4.44Å
45P71.3Confident75.6Confident102 Ų10285.7 Ų85.766%0.66244%0.437SS*.PPolyproline II helixtrans-60.3148177.925.5-33.9000111.3S47P45-S47 PolarHBondContact O-N 3.26Å
46E69Low74.8Confident165 Ų16587.8 Ų87.877%0.77145%0.446SS*.PPolyproline II helixtrans-55.2121.2176.5-70.1-67168.800110.4S50E46-S50 WeakPolarHBondContact OE2-CB 3.15Å; E46-S50 PolarHBondContact OE2-OG 3.05Å
47S73.6Confident74.1Confident45 Ų4588.2 Ų88.232%0.31545%0.448SS..  trans-129.9170.5-178.771.60000110.8P45 L49 S50 N51 Y212P45-S47 PolarHBondContact O-N 3.26Å; S47-L49 PolarHBondContact O-N 2.98Å; S47-L49 VanDerWaalsContact O-N 3.07Å; S47-L49 PolarHBondContact OG-N 2.86Å; S47-S50 WeakPolarHBondContact O-CA 3.45Å; S47-S50 VanDerWaalsContact O-CB 3.29Å; S47-S50 WeakPolarHBondContact O-CB 3.28Å; S47-S50 PolarHBondContact O-N 3.47Å; S47-N51 PolarHBondContact O-N 3.32Å; S47-Y212 PolarHBondContact OG-OH 3.25Å; S47-Y212 VanDerWaalsContact OG-OH 3.11Å
48Y71.4Confident73.3Confident138 Ų13887.7 Ų87.754%0.54144%0.444SS..THydrogen-bonded Turntrans-51.5-33.7174.4-177.8-97.1000112.3N51 N54 V55Y48-N51 PolarHBondContact O-N 3.17Å; Y48-N54 HydrophobicContact CD1-CB 4.12Å; Y48-N54 HydrophobicContact CE1-CB 3.66Å; Y48-N54 HydrophobicContact CE2-CB 4.15Å; Y48-N54 WeakPolarHBondContact O-CB 3.49Å; Y48-N54 PolarHBondContact O-ND2 3.28Å; Y48-V55 PolarHBondContact OH-N 2.81Å
49L67Low72.4Confident55 Ų5590.7 Ų90.729%0.28845%0.451SS..THydrogen-bonded Turntrans-75.1-23.7178.7-63.7173.3000113.6S47 N51 N54 L56 Y212 F213S47-L49 PolarHBondContact O-N 2.98Å; S47-L49 VanDerWaalsContact O-N 3.07Å; S47-L49 PolarHBondContact OG-N 2.86Å; L49-N51 VanDerWaalsContact C-N 3.35Å; L49-N54 PolarHBondContact O-ND2 3.17Å; L49-L56 HydrophobicContact CD2-CD1 3.84Å; L49-Y212 HydrophobicContact CB-CD2 4.46Å; L49-Y212 HydrophobicContact CB-CE2 4.04Å; L49-F213 WeakPolarHBondContact O-CZ 3.45Å
50S63.2Low71.9Confident19 Ų1990.4 Ų90.413%0.13345%0.45CS..THydrogen-bonded Turntrans-73.1-28172.5-172.50000112E46 S47 K52 F213E46-S50 WeakPolarHBondContact OE2-CB 3.15Å; E46-S50 PolarHBondContact OE2-OG 3.05Å; S47-S50 WeakPolarHBondContact O-CA 3.45Å; S47-S50 VanDerWaalsContact O-CB 3.29Å; S47-S50 WeakPolarHBondContact O-CB 3.28Å; S47-S50 PolarHBondContact O-N 3.47Å; S50-K52 PolarHBondContact O-N 3.37Å; S50-K52 VanDerWaalsContact O-N 3.08Å; S50-F213 VanDerWaalsContact O-CE1 3.24Å; S50-F213 WeakPolarHBondContact O-CE1 3.09Å; S50-F213 VanDerWaalsContact O-CZ 3.28Å; S50-F213 WeakPolarHBondContact O-CZ 3.36Å
51N69.3Low71.2Confident86 Ų8684 Ų8446%0.4642%0.42SS..  trans-69.3110.6-179.7-172.6-8000111.7S47 Y48 L49 R53 N54S47-N51 PolarHBondContact O-N 3.32Å; Y48-N51 PolarHBondContact O-N 3.17Å; L49-N51 VanDerWaalsContact C-N 3.35Å; N51-R53 PolarHBondContact O-N 3.12Å; N51-R53 PolarHBondContact OD1-N 2.87Å; N51-N54 WeakPolarHBondContact O-CB 3.4Å; N51-N54 VanDerWaalsContact O-CG 3.22Å; N51-N54 PolarHBondContact O-N 3.23Å; N51-N54 PolarHBondContact O-ND2 3.49Å
52K64.1Low70.9Confident146 Ų14684.4 Ų84.464%0.63542%0.416SS*.THydrogen-bonded Turntrans-55.2-19.6177.2-67.1-176.4-179-179.50114.2S50 N57 F213S50-K52 PolarHBondContact O-N 3.37Å; S50-K52 VanDerWaalsContact O-N 3.08Å; K52-N57 PolarHBondContact O-ND2 2.72Å; K52-F213 HydrophobicContact CD-CE1 4.35Å; K52-F213 HydrophobicContact CG-CD1 4.05Å; K52-F213 HydrophobicContact CG-CE1 3.42Å; K52-F213 VanDerWaalsContact CG-CE1 3.42Å; K52-F213 HydrophobicContact CG-CZ 4.16Å
53R65.6Low71.3Confident208 Ų20886.7 Ų86.779%0.78542%0.422SS*.THydrogen-bonded Turntrans-99.89.6179.4-60.7-175.1-178.2172.61.2113.9N51N51-R53 PolarHBondContact O-N 3.12Å; N51-R53 PolarHBondContact OD1-N 2.87Å
54N77.8Confident72.1Confident5 Ų581.3 Ų81.33%0.02739%0.387CS..SBendtrans-64.1156.9175.172.941000111.5Y48 L49 N51 L56 N57 M58Y48-N54 HydrophobicContact CD1-CB 4.12Å; Y48-N54 HydrophobicContact CE1-CB 3.66Å; Y48-N54 HydrophobicContact CE2-CB 4.15Å; Y48-N54 WeakPolarHBondContact O-CB 3.49Å; Y48-N54 PolarHBondContact O-ND2 3.28Å; L49-N54 PolarHBondContact O-ND2 3.17Å; N51-N54 WeakPolarHBondContact O-CB 3.4Å; N51-N54 VanDerWaalsContact O-CG 3.22Å; N51-N54 PolarHBondContact O-N 3.23Å; N51-N54 PolarHBondContact O-ND2 3.49Å; N54-L56 PolarHBondContact O-N 3.39Å; N54-L56 WeakPolarHBondContact OD1-CB 3.42Å; N54-L56 PolarHBondContact OD1-N 2.81Å; N54-N57 PolarHBondContact O-N 2.85Å; N54-N57 VanDerWaalsContact OD1-CB 3.32Å; N54-N57 WeakPolarHBondContact OD1-CB 3.3Å; N54-N57 PolarHBondContact OD1-N 2.95Å; N54-M58 PolarHBondContact O-N 2.6Å
55V71.1Confident73.2Confident80 Ų8078.8 Ų78.849%0.48537%0.373SS..Hα-helixtrans-60.1-36.9-174.3175.40000111.3Y48 M58 Y59Y48-V55 PolarHBondContact OH-N 2.81Å; V55-M58 PolarHBondContact O-N 3.41Å; V55-Y59 HydrophobicContact CG1-CD2 4.01Å; V55-Y59 WeakPolarHBondContact O-CB 3.42Å; V55-Y59 PolarHBondContact O-N 2.99Å
56L70.5Confident74.3Confident51 Ų5176.1 Ų76.127%0.26736%0.359SS..Iπ-helixtrans-62.8-45.7178.6-64.8172.1000111.6L49 N54 F60 V61 M205L49-L56 HydrophobicContact CD2-CD1 3.84Å; N54-L56 PolarHBondContact O-N 3.39Å; N54-L56 WeakPolarHBondContact OD1-CB 3.42Å; N54-L56 PolarHBondContact OD1-N 2.81Å; L56-F60 HydrophobicContact CD2-CD2 4.12Å; L56-F60 HydrophobicContact CD2-CE2 4.46Å; L56-F60 WeakPolarHBondContact O-CA 3.46Å; L56-F60 WeakPolarHBondContact O-CB 3.13Å; L56-F60 PolarHBondContact O-N 2.88Å; L56-V61 PolarHBondContact O-N 2.87Å; L56-M205 HydrophobicContact CB-CE 3.88Å; L56-M205 HydrophobicContact CB-SD 3.75Å; L56-M205 HydrophobicContact CD1-SD 4.16Å; L56-M205 HydrophobicContact CG-SD 4.46Å
57N74.2Confident75.4Confident11 Ų1173.8 Ų73.86%0.05934%0.343CS..Iπ-helixtrans-73.2-39.2-179.8-163.850.9000111.6K52 N54 K62 H155 M205K52-N57 PolarHBondContact O-ND2 2.72Å; N54-N57 PolarHBondContact O-N 2.85Å; N54-N57 VanDerWaalsContact OD1-CB 3.32Å; N54-N57 WeakPolarHBondContact OD1-CB 3.3Å; N54-N57 PolarHBondContact OD1-N 2.95Å; N57-K62 PolarHBondContact O-N 2.96Å; N57-H155 PolarHBondContact OD1-CE1 3.47Å; N57-M205 HydrophobicContact CB-CE 4.47Å
58M71.4Confident76.5Confident84 Ų8471.6 Ų71.641%0.41433%0.328SS..Iπ-helixtrans-74.5-40.4-177.1-119.7-176.676.800113.8N54 V55 K62N54-M58 PolarHBondContact O-N 2.6Å; V55-M58 PolarHBondContact O-N 3.41Å; M58-K62 WeakPolarHBondContact O-CB 3.39Å
59Y69.3Low77.6Confident140 Ų14068.5 Ų68.555%0.54932%0.318SS..Iπ-helixtrans-106-33.5-174.1-74.6-79.8000114.3V55 M63 W67V55-Y59 HydrophobicContact CG1-CD2 4.01Å; V55-Y59 WeakPolarHBondContact O-CB 3.42Å; V55-Y59 PolarHBondContact O-N 2.99Å; Y59-M63 WeakPolarHBondContact O-CB 3.44Å; Y59-W67 PolarHBondContact O-NE1 2.69Å; Y59-W67 VanDerWaalsContact O-NE1 3.08Å
60F71.3Confident79Confident58 Ų5869.6 Ų69.625%0.25433%0.329SS..Iπ-helixtrans-87.1-53.3179.6-77.7-96.1000111L56 M63 A64 I201 W202L56-F60 HydrophobicContact CD2-CD2 4.12Å; L56-F60 HydrophobicContact CD2-CE2 4.46Å; L56-F60 WeakPolarHBondContact O-CA 3.46Å; L56-F60 WeakPolarHBondContact O-CB 3.13Å; L56-F60 PolarHBondContact O-N 2.88Å; F60-M63 CarbonylContact O-C 3.33Å; F60-M63 PolarHBondContact O-N 3.07Å; F60-A64 VanDerWaalsContact O-CA 3.22Å; F60-A64 WeakPolarHBondContact O-CA 3.27Å; F60-A64 WeakPolarHBondContact O-CB 3.06Å; F60-A64 PolarHBondContact O-N 3.26Å; F60-I201 HydrophobicContact CD1-CD1 4.43Å; F60-I201 HydrophobicContact CD1-CG2 4.06Å; F60-I201 HydrophobicContact CE1-CD1 4.02Å; F60-W202 HydrophobicContact CB-CH2 4.36Å; F60-W202 HydrophobicContact CB-CZ3 4.01Å; F60-W202 HydrophobicContact CD1-CH2 4.45Å; F60-W202 VanDerWaalsContact O-CH2 3.29Å; F60-W202 WeakPolarHBondContact O-CH2 3.29Å; F60-W202 WeakPolarHBondContact O-CZ3 3.48Å
61V70.5Confident80.6Confident1 Ų170.6 Ų70.61%0.00633%0.333CS..Iπ-helixtrans-71.1-46.5-173.1-176.60000112.1L56 M63 A64 H155 L159 M205L56-V61 PolarHBondContact O-N 2.87Å; V61-M63 VanDerWaalsContact C-N 3.25Å; V61-M63 PolarHBondContact O-N 3.37Å; V61-A64 VanDerWaalsContact O-CB 3.23Å; V61-A64 WeakPolarHBondContact O-CB 3.27Å; V61-A64 PolarHBondContact O-N 3.03Å; V61-A64 VanDerWaalsContact O-N 3.14Å; V61-H155 HydrophobicContact CG1-CB 3.94Å; V61-H155 WeakPolarHBondContact CG1-CD2 3.32Å; V61-H155 VanDerWaalsContact CG1-CG 3.48Å; V61-L159 HydrophobicContact CG1-CD1 4.3Å; V61-L159 HydrophobicContact CG1-CD2 4.42Å; V61-L159 HydrophobicContact CG1-CG 4.45Å; V61-L159 HydrophobicContact CG2-CD1 4.49Å; V61-L159 HydrophobicContact CG2-CD2 4.49Å; V61-M205 HydrophobicContact CG2-CB 3.99Å; V61-M205 HydrophobicContact CG2-CE 3.37Å; V61-M205 HydrophobicContact CG2-CG 3.93Å; V61-M205 HydrophobicContact CG2-SD 4.44Å
62K77.8Confident81.9Confident140 Ų14066.5 Ų66.561%0.60931%0.311SS*.THydrogen-bonded Turntrans-61.7-33.5177.8-73-173.3174.4-173.90113.3N57 M58N57-K62 PolarHBondContact O-N 2.96Å; M58-K62 WeakPolarHBondContact O-CB 3.39Å
63M84.8Confident83.5Confident99 Ų9963 Ų6349%0.48830%0.298SS..THydrogen-bonded Turntrans-101.218.5179.1-55.8-64-72.900112.2Y59 F60 V61 W65 A66 W67Y59-M63 WeakPolarHBondContact O-CB 3.44Å; F60-M63 CarbonylContact O-C 3.33Å; F60-M63 PolarHBondContact O-N 3.07Å; V61-M63 VanDerWaalsContact C-N 3.25Å; V61-M63 PolarHBondContact O-N 3.37Å; M63-W65 VanDerWaalsContact C-N 3.25Å; M63-W65 PolarHBondContact O-N 3.31Å; M63-A66 HydrophobicContact CB-CB 4.37Å; M63-A66 HydrophobicContact CE-CB 4.07Å; M63-A66 WeakPolarHBondContact O-CB 3.33Å; M63-A66 PolarHBondContact O-N 3.45Å; M63-W67 PolarHBondContact O-N 3.16Å; M63-W67 VanDerWaalsContact O-N 3.09Å
64A90.1Very high84.9Confident0 Ų055 Ų550%027%0.274CS..Hα-helixtrans-59.2-37.5-170.800000113.1F60 V61 T68 L158 L159 W202F60-A64 VanDerWaalsContact O-CA 3.22Å; F60-A64 WeakPolarHBondContact O-CA 3.27Å; F60-A64 WeakPolarHBondContact O-CB 3.06Å; F60-A64 PolarHBondContact O-N 3.26Å; V61-A64 VanDerWaalsContact O-CB 3.23Å; V61-A64 WeakPolarHBondContact O-CB 3.27Å; V61-A64 PolarHBondContact O-N 3.03Å; V61-A64 VanDerWaalsContact O-N 3.14Å; A64-T68 WeakPolarHBondContact O-CB 3.39Å; A64-T68 PolarHBondContact O-N 3.01Å; A64-T68 VanDerWaalsContact O-N 3.1Å; A64-T68 PolarHBondContact O-OG1 3.15Å; A64-L158 HydrophobicContact CB-CD2 3.88Å; A64-L158 HydrophobicContact CB-CG 4.08Å; A64-L159 HydrophobicContact CB-CD2 4.28Å; A64-W202 HydrophobicContact CB-CE3 4.3Å; A64-W202 HydrophobicContact CB-CH2 3.44Å; A64-W202 VanDerWaalsContact CB-CH2 3.44Å; A64-W202 HydrophobicContact CB-CZ2 3.71Å; A64-W202 HydrophobicContact CB-CZ3 3.72Å; A64-W202 WeakPolarHBondContact O-CZ2 3.38Å
65W93.6Very high85.7Confident22 Ų2254.9 Ų54.98%0.08327%0.273CS..Hα-helixtrans-63.3-45173.5-176.5-117.8000112.1M63 W67 T68 F69 L97 T101 L158 F161 M165M63-W65 VanDerWaalsContact C-N 3.25Å; M63-W65 PolarHBondContact O-N 3.31Å; W65-W67 PolarHBondContact O-N 3.03Å; W65-T68 PolarHBondContact O-N 3.32Å; W65-F69 HydrophobicContact CZ2-CD2 4.16Å; W65-F69 VanDerWaalsContact O-CB 3.3Å; W65-F69 WeakPolarHBondContact O-CB 3.45Å; W65-F69 PolarHBondContact O-N 2.65Å; W65-L97 WeakPolarHBondContact CZ2-O 3.26Å; W65-T101 VanDerWaalsContact CZ2-N 3.26Å; W65-T101 VanDerWaalsContact CZ2-OG1 3.27Å; W65-T101 WeakPolarHBondContact CZ2-OG1 3.23Å; W65-T101 PolarHBondContact NE1-OG1 3.37Å; W65-T101 VanDerWaalsContact NE1-OG1 3.09Å; W65-L158 HydrophobicContact CB-CD1 4.23Å; W65-F161 HydrophobicContact CZ3-CD1 4.45Å; W65-F161 HydrophobicContact CZ3-CE1 4Å; W65-M165 HydrophobicContact CH2-CE 4.38Å; W65-M165 HydrophobicContact CH2-SD 3.88Å; W65-M165 HydrophobicContact CZ3-SD 3.82Å
66A93.8Very high86.8Confident46 Ų4651 Ų5138%0.3825%0.25SC..Hα-helixtrans-62.4-43.5-178.300000112.1M63 F69 C70M63-A66 HydrophobicContact CB-CB 4.37Å; M63-A66 HydrophobicContact CE-CB 4.07Å; M63-A66 WeakPolarHBondContact O-CB 3.33Å; M63-A66 PolarHBondContact O-N 3.45Å; A66-F69 PolarHBondContact O-N 3.36Å; A66-C70 WeakPolarHBondContact O-CB 3.49Å; A66-C70 PolarHBondContact O-N 3.46Å
67W93.8Very high88Confident115 Ų11549.9 Ų49.944%0.43625%0.248SC..Hα-helixtrans-63.4-43.6175.3-64.9115.7000112.1Y59 M63 W65 C70 L71 L198 W202Y59-W67 PolarHBondContact O-NE1 2.69Å; Y59-W67 VanDerWaalsContact O-NE1 3.08Å; M63-W67 PolarHBondContact O-N 3.16Å; M63-W67 VanDerWaalsContact O-N 3.09Å; W65-W67 PolarHBondContact O-N 3.03Å; W67-C70 PolarHBondContact O-N 2.85Å; W67-L71 PolarHBondContact O-N 2.8Å; W67-L198 HydrophobicContact CB-CD1 4.12Å; W67-L198 HydrophobicContact CB-CD2 4.21Å; W67-W202 HydrophobicContact CB-CH2 4.39Å; W67-W202 HydrophobicContact CB-CZ2 4.06Å
68T95.3Very high88.8Confident0 Ų052.2 Ų52.20%026%0.26CS..Hα-helixtrans-63.3-45.6178.3-58.40000111A64 W65 L72 C162 I166 W202A64-T68 WeakPolarHBondContact O-CB 3.39Å; A64-T68 PolarHBondContact O-N 3.01Å; A64-T68 VanDerWaalsContact O-N 3.1Å; A64-T68 PolarHBondContact O-OG1 3.15Å; W65-T68 PolarHBondContact O-N 3.32Å; T68-L72 HydrophobicContact CG2-CD1 3.65Å; T68-L72 HydrophobicContact CG2-CG 4.32Å; T68-L72 VanDerWaalsContact O-CB 3.26Å; T68-L72 WeakPolarHBondContact O-CB 3.38Å; T68-L72 WeakPolarHBondContact O-CG 3.38Å; T68-L72 PolarHBondContact O-N 2.93Å; T68-C162 HydrophobicContact CG2-CB 4.18Å; T68-I166 HydrophobicContact CG2-CD1 3.98Å; T68-I166 HydrophobicContact CG2-CG1 3.86Å; T68-W202 PolarHBondContact OG1-NE1 3.32Å
69F96Very high89.8Confident73 Ų7348.2 Ų48.232%0.3224%0.24SC..Hα-helixtrans-61.3-48176.1-175.3-80.4000111.8W65 A66 L71 L72 L73 L97W65-F69 HydrophobicContact CZ2-CD2 4.16Å; W65-F69 VanDerWaalsContact O-CB 3.3Å; W65-F69 WeakPolarHBondContact O-CB 3.45Å; W65-F69 PolarHBondContact O-N 2.65Å; A66-F69 PolarHBondContact O-N 3.36Å; F69-L71 VanDerWaalsContact C-N 3.31Å; F69-L71 PolarHBondContact O-N 2.93Å; F69-L72 PolarHBondContact O-N 3.11Å; F69-L73 HydrophobicContact CD1-CD1 4.3Å; F69-L73 HydrophobicContact CE1-CB 4.46Å; F69-L73 HydrophobicContact CE1-CD1 3.43Å; F69-L73 VanDerWaalsContact CE1-CD1 3.43Å; F69-L73 HydrophobicContact CZ-CD1 3.74Å; F69-L73 VanDerWaalsContact O-CB 3.25Å; F69-L73 WeakPolarHBondContact O-CB 3.41Å; F69-L73 PolarHBondContact O-N 3.17Å; F69-L97 HydrophobicContact CD2-CB 3.86Å; F69-L97 HydrophobicContact CD2-CD1 4.27Å; F69-L97 HydrophobicContact CD2-CG 4.46Å; F69-L97 HydrophobicContact CE2-CB 3.64Å; F69-L97 HydrophobicContact CE2-CD1 4.18Å; F69-L97 HydrophobicContact CE2-CG 4.48Å
70C96.1Very high90.8Very high77 Ų7741.7 Ų41.752%0.5222%0.215SC..Hα-helixtrans-60.4-38-177.1-1750000112.6A66 W67 P74A66-C70 WeakPolarHBondContact O-CB 3.49Å; A66-C70 PolarHBondContact O-N 3.46Å; W67-C70 PolarHBondContact O-N 2.85Å; C70-P74 WeakPolarHBondContact O-CD 3.34Å; C70-P74 WeakPolarHBondContact O-CG 3.24Å
71L96.5Very high91.7Very high40 Ų4045.7 Ų45.721%0.20923%0.229CC..Hα-helixtrans-84-38.6177.8-64.7-174.8000113.1W67 F69 P74 F75 A194 L195 L198W67-L71 PolarHBondContact O-N 2.8Å; F69-L71 VanDerWaalsContact C-N 3.31Å; F69-L71 PolarHBondContact O-N 2.93Å; L71-P74 WeakPolarHBondContact O-CD 3.3Å; L71-F75 VanDerWaalsContact O-CB 3.28Å; L71-F75 WeakPolarHBondContact O-CB 3.49Å; L71-F75 PolarHBondContact O-N 3.18Å; L71-A194 HydrophobicContact CD1-CB 3.94Å; L71-A194 HydrophobicContact CD2-CB 4.2Å; L71-L195 HydrophobicContact CB-CD2 3.54Å; L71-L195 HydrophobicContact CB-CG 4.1Å; L71-L195 HydrophobicContact CD1-CD2 4.27Å; L71-L198 HydrophobicContact CD1-CB 4.18Å; L71-L198 HydrophobicContact CD1-CD2 3.79Å; L71-L198 HydrophobicContact CD1-CG 4.49Å
72L96.1Very high92.5Very high0 Ų048.9 Ų48.90%024%0.244CC..Hα-helixtrans-70.9-32.8-179.7-75.4178.6000112.8T68 F69 F75 I76 L97 M165 I166 E169 L195T68-L72 HydrophobicContact CG2-CD1 3.65Å; T68-L72 HydrophobicContact CG2-CG 4.32Å; T68-L72 VanDerWaalsContact O-CB 3.26Å; T68-L72 WeakPolarHBondContact O-CB 3.38Å; T68-L72 WeakPolarHBondContact O-CG 3.38Å; T68-L72 PolarHBondContact O-N 2.93Å; F69-L72 PolarHBondContact O-N 3.11Å; L72-F75 HydrophobicContact CD2-CD1 4.31Å; L72-F75 PolarHBondContact O-N 3.27Å; L72-I76 HydrophobicContact CB-CD1 4.15Å; L72-I76 VanDerWaalsContact O-CB 3.31Å; L72-I76 WeakPolarHBondContact O-CB 3.5Å; L72-I76 WeakPolarHBondContact O-CG1 3.08Å; L72-I76 PolarHBondContact O-N 3.4Å; L72-L97 HydrophobicContact CB-CD2 3.84Å; L72-L97 HydrophobicContact CD1-CD2 4.18Å; L72-M165 HydrophobicContact CD1-CG 4.14Å; L72-M165 HydrophobicContact CD1-SD 4.36Å; L72-I166 HydrophobicContact CD1-CG1 4.14Å; L72-I166 HydrophobicContact CD2-CG1 4.43Å; L72-I166 HydrophobicContact CG-CG1 4.36Å; L72-E169 HydrophobicContact CD2-CB 3.91Å; L72-E169 HydrophobicContact CD2-CG 4.36Å; L72-L195 HydrophobicContact CD2-CD1 4.1Å; L72-L195 HydrophobicContact CD2-CD2 3.81Å; L72-L195 HydrophobicContact CG-CD2 4.05Å
73L97Very high92.9Very high72 Ų7245 Ų4538%0.37723%0.229SC..Hα-helixtrans-57.1-58.4179.7-175.9153.4000113.1F69 F75 A77 L94 L97F69-L73 HydrophobicContact CD1-CD1 4.3Å; F69-L73 HydrophobicContact CE1-CB 4.46Å; F69-L73 HydrophobicContact CE1-CD1 3.43Å; F69-L73 VanDerWaalsContact CE1-CD1 3.43Å; F69-L73 HydrophobicContact CZ-CD1 3.74Å; F69-L73 VanDerWaalsContact O-CB 3.25Å; F69-L73 WeakPolarHBondContact O-CB 3.41Å; F69-L73 PolarHBondContact O-N 3.17Å; L73-F75 VanDerWaalsContact C-N 3.32Å; L73-F75 PolarHBondContact O-N 2.78Å; L73-A77 VanDerWaalsContact O-CB 3.27Å; L73-A77 WeakPolarHBondContact O-CB 3.4Å; L73-A77 PolarHBondContact O-N 2.89Å; L73-L94 HydrophobicContact CG-CD2 4.41Å; L73-L97 HydrophobicContact CB-CD1 3.69Å; L73-L97 HydrophobicContact CD1-CD1 4.49Å; L73-L97 HydrophobicContact CG-CD1 4.26Å
74P96Very high92.9Very high42 Ų4242.1 Ų42.127%0.27322%0.217SC..Hα-helixtrans-67.4-33.7177.727.1-34.6000111.7C70 L71 A77 L78 L191C70-P74 WeakPolarHBondContact O-CD 3.34Å; C70-P74 WeakPolarHBondContact O-CG 3.24Å; L71-P74 WeakPolarHBondContact O-CD 3.3Å; P74-A77 PolarHBondContact O-N 3.41Å; P74-L78 VanDerWaalsContact O-CB 3.3Å; P74-L78 WeakPolarHBondContact O-CB 3.22Å; P74-L78 VanDerWaalsContact O-CG 3.23Å; P74-L78 WeakPolarHBondContact O-CG 3.43Å; P74-L78 PolarHBondContact O-N 3.44Å; P74-L191 HydrophobicContact CB-CD1 4.25Å; P74-L191 HydrophobicContact CB-CD2 4.48Å; P74-L191 HydrophobicContact CG-CD1 4.47Å; P74-L191 HydrophobicContact CG-CD2 3.87Å
75F94.9Very high92.6Very high1 Ų144.5 Ų44.50%0.00424%0.242CC..Hα-helixtrans-62.9-51.4177.9175.8-101.4000112.4L71 L72 L73 A77 T79 M170 V172 L191 V192 L195L71-F75 VanDerWaalsContact O-CB 3.28Å; L71-F75 WeakPolarHBondContact O-CB 3.49Å; L71-F75 PolarHBondContact O-N 3.18Å; L72-F75 HydrophobicContact CD2-CD1 4.31Å; L72-F75 PolarHBondContact O-N 3.27Å; L73-F75 VanDerWaalsContact C-N 3.32Å; L73-F75 PolarHBondContact O-N 2.78Å; F75-A77 VanDerWaalsContact C-N 3.34Å; F75-A77 PolarHBondContact O-N 2.69Å; F75-T79 HydrophobicContact CD2-CG2 4.02Å; F75-T79 HydrophobicContact CE1-CG2 4.5Å; F75-T79 HydrophobicContact CE2-CG2 3.7Å; F75-T79 HydrophobicContact CZ-CG2 3.97Å; F75-T79 WeakPolarHBondContact O-CB 2.9Å; F75-T79 VanDerWaalsContact O-CG2 3.3Å; F75-T79 WeakPolarHBondContact O-CG2 3.04Å; F75-T79 PolarHBondContact O-N 3.32Å; F75-T79 PolarHBondContact O-OG1 3.28Å; F75-M170 HydrophobicContact CZ-CG 4.48Å; F75-V172 HydrophobicContact CE1-CG1 3.91Å; F75-V172 HydrophobicContact CZ-CG1 3.7Å; F75-L191 HydrophobicContact CB-CB 4.46Å; F75-L191 HydrophobicContact CB-CD1 4.34Å; F75-L191 HydrophobicContact CD2-CB 4.18Å; F75-V192 HydrophobicContact CD2-CG2 4.47Å; F75-V192 HydrophobicContact CE2-CG2 3.77Å; F75-L195 HydrophobicContact CB-CD1 3.9Å; F75-L195 HydrophobicContact CD1-CD1 3.84Å; F75-L195 HydrophobicContact CD2-CD1 3.88Å; F75-L195 HydrophobicContact CE1-CD1 4.35Å; F75-L195 HydrophobicContact CE2-CD1 4.38Å; F75-L195 HydrophobicContact CG-CD1 3.58Å
76I94.4Very high92.4Very high0 Ų050.4 Ų50.40%027%0.268CS..Hα-helixtrans-63.2-43.6177.9-67.3168.7000109.8L72 T79 N80 R93 L94 T96 L97 E169L72-I76 HydrophobicContact CB-CD1 4.15Å; L72-I76 VanDerWaalsContact O-CB 3.31Å; L72-I76 WeakPolarHBondContact O-CB 3.5Å; L72-I76 WeakPolarHBondContact O-CG1 3.08Å; L72-I76 PolarHBondContact O-N 3.4Å; I76-T79 PolarHBondContact O-OG1 3.23Å; I76-N80 VanDerWaalsContact O-CB 3.27Å; I76-N80 WeakPolarHBondContact O-CB 3.4Å; I76-N80 PolarHBondContact O-N 3.17Å; I76-N80 PolarHBondContact O-ND2 3.48Å; I76-R93 HydrophobicContact CG2-CB 3.89Å; I76-L94 HydrophobicContact CB-CD2 4.08Å; I76-L94 HydrophobicContact CG2-CD2 3.91Å; I76-L94 HydrophobicContact CG2-CG 4.41Å; I76-T96 HydrophobicContact CD1-CG2 3.68Å; I76-L97 HydrophobicContact CD1-CD2 4.23Å; I76-L97 HydrophobicContact CD1-CG 4.31Å; I76-E169 HydrophobicContact CD1-CG 4.06Å; I76-E169 HydrophobicContact CG1-CG 4.48Å
77A94.3Very high92.3Very high27 Ų2751.8 Ų51.822%0.22328%0.28CS..Hα-helixtrans-59.3-53.4178.900000111.9L73 P74 F75 Y81 V90 L94L73-A77 VanDerWaalsContact O-CB 3.27Å; L73-A77 WeakPolarHBondContact O-CB 3.4Å; L73-A77 PolarHBondContact O-N 2.89Å; P74-A77 PolarHBondContact O-N 3.41Å; F75-A77 VanDerWaalsContact C-N 3.34Å; F75-A77 PolarHBondContact O-N 2.69Å; A77-Y81 WeakPolarHBondContact O-CB 3.31Å; A77-Y81 PolarHBondContact O-N 3.42Å; A77-V90 HydrophobicContact CB-CG1 4.41Å; A77-L94 HydrophobicContact CB-CD2 4.39Å
78L92.4Very high92.2Very high60 Ų6049.1 Ų49.131%0.31429%0.288SS..Hα-helixtrans-66.4-47.6-176.6-70.1171.8000112.3P74 H82 L184 I188 L191P74-L78 VanDerWaalsContact O-CB 3.3Å; P74-L78 WeakPolarHBondContact O-CB 3.22Å; P74-L78 VanDerWaalsContact O-CG 3.23Å; P74-L78 WeakPolarHBondContact O-CG 3.43Å; P74-L78 PolarHBondContact O-N 3.44Å; L78-H82 VanDerWaalsContact O-CB 3.22Å; L78-H82 WeakPolarHBondContact O-CB 3.34Å; L78-H82 PolarHBondContact O-N 3.24Å; L78-L184 HydrophobicContact CD2-CD1 4.09Å; L78-I188 HydrophobicContact CB-CG1 4.39Å; L78-L191 HydrophobicContact CD1-CD1 3.77Å
79T91Very high91.9Very high0 Ų052.2 Ų52.20%030%0.304CS..Hα-helixtrans-65.7-45.1-177.653.80000112.1F75 I76 H82 L83 V172 V176 I188F75-T79 HydrophobicContact CD2-CG2 4.02Å; F75-T79 HydrophobicContact CE1-CG2 4.5Å; F75-T79 HydrophobicContact CE2-CG2 3.7Å; F75-T79 HydrophobicContact CZ-CG2 3.97Å; F75-T79 WeakPolarHBondContact O-CB 2.9Å; F75-T79 VanDerWaalsContact O-CG2 3.3Å; F75-T79 WeakPolarHBondContact O-CG2 3.04Å; F75-T79 PolarHBondContact O-N 3.32Å; F75-T79 PolarHBondContact O-OG1 3.28Å; I76-T79 PolarHBondContact O-OG1 3.23Å; T79-H82 PolarHBondContact O-N 3.02Å; T79-L83 WeakPolarHBondContact O-CG 3.43Å; T79-L83 PolarHBondContact O-N 3.47Å; T79-V172 HydrophobicContact CG2-CG1 4.07Å; T79-V176 HydrophobicContact CG2-CG2 4.4Å; T79-I188 HydrophobicContact CG2-CG2 4.36Å
80N90.6Very high91.7Very high2 Ų249.3 Ų49.31%0.01129%0.292CS..Hα-helixtrans-75-33.6-179-70.9-92.2000111.9I76 H82 L83 T84 V90 R93 P248I76-N80 VanDerWaalsContact O-CB 3.27Å; I76-N80 WeakPolarHBondContact O-CB 3.4Å; I76-N80 PolarHBondContact O-N 3.17Å; I76-N80 PolarHBondContact O-ND2 3.48Å; N80-H82 VanDerWaalsContact C-N 3.35Å; N80-L83 PolarHBondContact O-N 2.87Å; N80-T84 WeakPolarHBondContact O-CB 3.47Å; N80-T84 WeakPolarHBondContact O-CG2 3.44Å; N80-T84 PolarHBondContact O-N 2.76Å; N80-T84 PolarHBondContact O-OG1 3.46Å; N80-V90 HydrophobicContact CB-CG2 4.1Å; N80-R93 HydrophobicContact CB-CG 4.42Å; N80-P248 WeakPolarHBondContact OD1-CD 3.32Å; N80-P248 WeakPolarHBondContact OD1-CG 3.43Å
81Y90.4Very high91.6Very high142 Ų14251.5 Ų51.556%0.55730%0.298SS*.Hα-helixtrans-64.5-42.7172.5-173.2-101.4000110.9A77 L83 G85 V90A77-Y81 WeakPolarHBondContact O-CB 3.31Å; A77-Y81 PolarHBondContact O-N 3.42Å; Y81-L83 PolarHBondContact O-N 2.87Å; Y81-G85 WeakPolarHBondContact O-CA 3.46Å; Y81-G85 PolarHBondContact O-N 3.01Å; Y81-V90 HydrophobicContact CD2-CG2 4.34Å
82H87.8Confident91.4Very high68 Ų6854.4 Ų54.432%0.31531%0.307SS..Hα-helixtrans-60.6-41.4176.2-177-100.3000112.8L78 T79 N80 L184L78-H82 VanDerWaalsContact O-CB 3.22Å; L78-H82 WeakPolarHBondContact O-CB 3.34Å; L78-H82 PolarHBondContact O-N 3.24Å; T79-H82 PolarHBondContact O-N 3.02Å; N80-H82 VanDerWaalsContact C-N 3.35Å; H82-L184 WeakPolarHBondContact CD2-CD2 3.39Å
83L86.3Confident91.3Very high58 Ų5854.8 Ų54.830%0.30431%0.308SS..Hα-helixtrans-77.9-35.9-178.9-69.7174.8000113.9T79 N80 Y81 V172 E175 V176 P248T79-L83 WeakPolarHBondContact O-CG 3.43Å; T79-L83 PolarHBondContact O-N 3.47Å; N80-L83 PolarHBondContact O-N 2.87Å; Y81-L83 PolarHBondContact O-N 2.87Å; L83-V172 HydrophobicContact CD1-CG2 3.44Å; L83-V172 VanDerWaalsContact CD1-CG2 3.44Å; L83-E175 HydrophobicContact CD1-CB 4.23Å; L83-E175 HydrophobicContact CD2-CB 4.32Å; L83-V176 HydrophobicContact CD1-CG2 4.16Å; L83-V176 HydrophobicContact CD2-CG2 4.33Å; L83-V176 HydrophobicContact CG-CG2 4.27Å; L83-P248 HydrophobicContact CD1-CB 4.07Å; L83-P248 HydrophobicContact CD1-CG 4.1Å
84T85.1Confident91.2Very high39 Ų3953.3 Ų53.324%0.23930%0.3CS..Hα-helixtrans-111.5-24.2-167.268.70000114.2N80 K86 L89N80-T84 WeakPolarHBondContact O-CB 3.47Å; N80-T84 WeakPolarHBondContact O-CG2 3.44Å; N80-T84 PolarHBondContact O-N 2.76Å; N80-T84 PolarHBondContact O-OG1 3.46Å; T84-K86 PolarHBondContact O-N 3.5Å; T84-L89 HydrophobicContact CG2-CD2 3.54Å; T84-L89 HydrophobicContact CG2-CG 4.39Å
85G84Confident91.2Very high50 Ų5053.2 Ų53.252%0.51530%0.301SS..  trans633.2-17600000115.4Y81Y81-G85 WeakPolarHBondContact O-CA 3.46Å; Y81-G85 PolarHBondContact O-N 3.01Å
86K89.1Confident91.2Very high146 Ų14653.2 Ų53.264%0.63530%0.3SS*.  trans-114.3111.5-170.6-70.6177.5-175.7-179.70111.4T84 G88 L89 V90T84-K86 PolarHBondContact O-N 3.5Å; K86-G88 VanDerWaalsContact C-N 3.29Å; K86-G88 PolarHBondContact O-N 3.48Å; K86-L89 HydrophobicContact CB-CB 4.28Å; K86-L89 PolarHBondContact O-N 3.16Å; K86-L89 VanDerWaalsContact O-N 3.09Å; K86-V90 PolarHBondContact O-N 2.9Å
87A91.8Very high91.3Very high75 Ų7553.4 Ų53.462%0.6230%0.301SS*.Hα-helixtrans-55.9-39.1-179.500000113.6L89 V90 L91A87-L89 VanDerWaalsContact C-N 3.33Å; A87-L89 PolarHBondContact O-N 3.37Å; A87-V90 PolarHBondContact O-N 3.14Å; A87-L91 PolarHBondContact O-N 3.3Å
88G90.6Very high91.4Very high59 Ų5958.2 Ų58.261%0.60832%0.323SS*.Hα-helixtrans-63.2-35.9178.500000113.8K86 R92K86-G88 VanDerWaalsContact C-N 3.29Å; K86-G88 PolarHBondContact O-N 3.48Å; G88-R92 WeakPolarHBondContact O-CB 3.28Å; G88-R92 PolarHBondContact O-N 2.92Å; G88-R92 VanDerWaalsContact O-N 3.12Å
89L88.7Confident91.6Very high65 Ų6556.3 Ų56.334%0.3431%0.314SS..Hα-helixtrans-73.7-36.5176.4-174.356.7000111.2T84 K86 A87 R92 R93T84-L89 HydrophobicContact CG2-CD2 3.54Å; T84-L89 HydrophobicContact CG2-CG 4.39Å; K86-L89 HydrophobicContact CB-CB 4.28Å; K86-L89 PolarHBondContact O-N 3.16Å; K86-L89 VanDerWaalsContact O-N 3.09Å; A87-L89 VanDerWaalsContact C-N 3.33Å; A87-L89 PolarHBondContact O-N 3.37Å; L89-R92 PolarHBondContact O-N 3.41Å; L89-R93 WeakPolarHBondContact O-CG 3.44Å; L89-R93 PolarHBondContact O-N 2.98Å
90V92.8Very high91.8Very high12 Ų1256.3 Ų56.37%0.07331%0.314CS..Hα-helixtrans-63.7-46.6173.9178.10000111.2A77 N80 Y81 K86 A87 R92 R93 L94A77-V90 HydrophobicContact CB-CG1 4.41Å; N80-V90 HydrophobicContact CB-CG2 4.1Å; Y81-V90 HydrophobicContact CD2-CG2 4.34Å; K86-V90 PolarHBondContact O-N 2.9Å; A87-V90 PolarHBondContact O-N 3.14Å; V90-R92 VanDerWaalsContact C-N 3.28Å; V90-R92 PolarHBondContact O-N 3.06Å; V90-R93 WeakPolarHBondContact O-CA 3.41Å; V90-R93 WeakPolarHBondContact O-CB 3.31Å; V90-R93 PolarHBondContact O-N 3.5Å; V90-L94 HydrophobicContact CG1-CD1 4.15Å; V90-L94 HydrophobicContact CG1-CG 4.38Å; V90-L94 WeakPolarHBondContact O-CG 3.27Å; V90-L94 PolarHBondContact O-N 3.09Å
91L93.9Very high92.1Very high124 Ų12458.3 Ų58.365%0.64933%0.326SS*.Hα-helixtrans-60.3-41.3177.5-176.962.1000111.4A87 R93 L94 S95A87-L91 PolarHBondContact O-N 3.3Å; L91-R93 VanDerWaalsContact C-N 3.35Å; L91-R93 PolarHBondContact O-N 2.85Å; L91-L94 PolarHBondContact O-N 3.05Å; L91-S95 PolarHBondContact O-N 2.98Å; L91-S95 VanDerWaalsContact O-N 3.12Å
92R93.2Very high92.4Very high101 Ų10153.7 Ų53.738%0.38132%0.317SS..Hα-helixtrans-59.8-42.9172.6179.8177.3171.5171.8-2.9112G88 L89 V90 S95 A241 S243G88-R92 WeakPolarHBondContact O-CB 3.28Å; G88-R92 PolarHBondContact O-N 2.92Å; G88-R92 VanDerWaalsContact O-N 3.12Å; L89-R92 PolarHBondContact O-N 3.41Å; V90-R92 VanDerWaalsContact C-N 3.28Å; V90-R92 PolarHBondContact O-N 3.06Å; R92-S95 WeakPolarHBondContact O-CB 3.27Å; R92-S95 PolarHBondContact O-N 2.95Å; R92-S95 PolarHBondContact O-OG 3.49Å; R92-A241 PolarHBondContact NH2-O 2.96Å; R92-S243 VanDerWaalsContact CZ-O 3.25Å; R92-S243 PolarHBondContact NE-O 2.75Å; R92-S243 PolarHBondContact NH2-O 3.48Å
93R93.3Very high92.8Very high7 Ų752 Ų523%0.02631%0.31CS..Hα-helixtrans-63.3-43.8174.6-70.4-63.8-51.8138.3-2.1111.8I76 N80 L89 V90 L91 S95 T96 E169 P244 G245I76-R93 HydrophobicContact CG2-CB 3.89Å; N80-R93 HydrophobicContact CB-CG 4.42Å; L89-R93 WeakPolarHBondContact O-CG 3.44Å; L89-R93 PolarHBondContact O-N 2.98Å; V90-R93 WeakPolarHBondContact O-CA 3.41Å; V90-R93 WeakPolarHBondContact O-CB 3.31Å; V90-R93 PolarHBondContact O-N 3.5Å; L91-R93 VanDerWaalsContact C-N 3.35Å; L91-R93 PolarHBondContact O-N 2.85Å; R93-S95 PolarHBondContact O-N 3.39Å; R93-T96 VanDerWaalsContact O-CB 3.28Å; R93-T96 WeakPolarHBondContact O-CB 3.32Å; R93-T96 WeakPolarHBondContact O-CG2 3.35Å; R93-T96 PolarHBondContact O-N 3.3Å; R93-E169 VanDerWaalsContact NH2-CD 3.35Å; R93-E169 IonicContact NH2-OE1 3.64Å; R93-E169 PolarHBondContact NH2-OE1 3.21Å; R93-E169 IonicContact NH2-OE2 2.99Å; R93-E169 PolarHBondContact NH2-OE2 3.22Å; R93-P244 WeakPolarHBondContact CD-O 3.16Å; R93-P244 PolarHBondContact NH1-O 2.85Å; R93-G245 PolarHBondContact NH1-O 2.85Å
94L95.2Very high93.2Very high42 Ų4253.2 Ų53.222%0.2231%0.311CS..Hα-helixtrans-60.4-25.1178.1-71.7173.2000113L73 I76 A77 V90 L91 T96 L97L73-L94 HydrophobicContact CG-CD2 4.41Å; I76-L94 HydrophobicContact CB-CD2 4.08Å; I76-L94 HydrophobicContact CG2-CD2 3.91Å; I76-L94 HydrophobicContact CG2-CG 4.41Å; A77-L94 HydrophobicContact CB-CD2 4.39Å; V90-L94 HydrophobicContact CG1-CD1 4.15Å; V90-L94 HydrophobicContact CG1-CG 4.38Å; V90-L94 WeakPolarHBondContact O-CG 3.27Å; V90-L94 PolarHBondContact O-N 3.09Å; L91-L94 PolarHBondContact O-N 3.05Å; L94-T96 PolarHBondContact O-N 3.47Å; L94-L97 HydrophobicContact CD2-CD1 4.39Å; L94-L97 WeakPolarHBondContact O-CB 3.21Å; L94-L97 PolarHBondContact O-N 3.47Å
95S95Very high93.6Very high40 Ų4058.9 Ų58.928%0.2833%0.329SS..Hα-helixtrans-59.8-15.8172.476.80000113.8L91 R92 R93 L97 L98 V99 P244L91-S95 PolarHBondContact O-N 2.98Å; L91-S95 VanDerWaalsContact O-N 3.12Å; R92-S95 WeakPolarHBondContact O-CB 3.27Å; R92-S95 PolarHBondContact O-N 2.95Å; R92-S95 PolarHBondContact O-OG 3.49Å; R93-S95 PolarHBondContact O-N 3.39Å; S95-L97 PolarHBondContact O-N 2.97Å; S95-L98 WeakPolarHBondContact O-CB 3.23Å; S95-L98 PolarHBondContact O-N 2.97Å; S95-L98 VanDerWaalsContact O-N 3.14Å; S95-V99 WeakPolarHBondContact O-CG2 3.3Å; S95-V99 PolarHBondContact O-N 3.37Å; S95-P244 WeakPolarHBondContact OG-CB 3.39Å; S95-P244 WeakPolarHBondContact OG-CG 3.33Å
96T95.3Very high94.2Very high0 Ų061 Ų610%033%0.328CS..Hα-helixtrans-57.6-34.8169.5-164.20000112.6I76 R93 L94 V99 G100 M165 Y234 Y238I76-T96 HydrophobicContact CD1-CG2 3.68Å; R93-T96 VanDerWaalsContact O-CB 3.28Å; R93-T96 WeakPolarHBondContact O-CB 3.32Å; R93-T96 WeakPolarHBondContact O-CG2 3.35Å; R93-T96 PolarHBondContact O-N 3.3Å; L94-T96 PolarHBondContact O-N 3.47Å; T96-V99 PolarHBondContact O-N 3.35Å; T96-G100 PolarHBondContact O-N 2.97Å; T96-M165 WeakPolarHBondContact O-CE 3.28Å; T96-Y234 PolarHBondContact OG1-OH 3.07Å; T96-Y238 WeakPolarHBondContact CA-OH 3.32Å; T96-Y238 WeakPolarHBondContact OG1-CE2 3.24Å; T96-Y238 VanDerWaalsContact OG1-CZ 3.27Å; T96-Y238 PolarHBondContact OG1-OH 3.08Å
97L96.4Very high94.4Very high4 Ų454.7 Ų54.72%0.02130%0.302CS..Hα-helixtrans-74.3-33.1178.6-60.7178.1000111.5W65 F69 L72 L73 I76 L94 S95 G100 T101W65-L97 WeakPolarHBondContact CZ2-O 3.26Å; F69-L97 HydrophobicContact CD2-CB 3.86Å; F69-L97 HydrophobicContact CD2-CD1 4.27Å; F69-L97 HydrophobicContact CD2-CG 4.46Å; F69-L97 HydrophobicContact CE2-CB 3.64Å; F69-L97 HydrophobicContact CE2-CD1 4.18Å; F69-L97 HydrophobicContact CE2-CG 4.48Å; L72-L97 HydrophobicContact CB-CD2 3.84Å; L72-L97 HydrophobicContact CD1-CD2 4.18Å; L73-L97 HydrophobicContact CB-CD1 3.69Å; L73-L97 HydrophobicContact CD1-CD1 4.49Å; L73-L97 HydrophobicContact CG-CD1 4.26Å; I76-L97 HydrophobicContact CD1-CD2 4.23Å; I76-L97 HydrophobicContact CD1-CG 4.31Å; L94-L97 HydrophobicContact CD2-CD1 4.39Å; L94-L97 WeakPolarHBondContact O-CB 3.21Å; L94-L97 PolarHBondContact O-N 3.47Å; S95-L97 PolarHBondContact O-N 2.97Å; L97-G100 PolarHBondContact O-N 3.44Å; L97-T101 WeakPolarHBondContact O-CB 3.35Å; L97-T101 PolarHBondContact O-N 2.82Å; L97-T101 PolarHBondContact O-OG1 3.05Å
98L96Very high94.4Very high128 Ų12853.2 Ų53.267%0.6729%0.285SS*.Hα-helixtrans-64.3-45.8171.5-178.465.6000110.5S95 G100 T101 A102S95-L98 WeakPolarHBondContact O-CB 3.23Å; S95-L98 PolarHBondContact O-N 2.97Å; S95-L98 VanDerWaalsContact O-N 3.14Å; L98-G100 PolarHBondContact O-N 3.41Å; L98-T101 WeakPolarHBondContact O-CB 3.33Å; L98-T101 PolarHBondContact O-N 3.36Å; L98-A102 PolarHBondContact O-N 3.35Å
99V96.3Very high94.5Very high21 Ų2152.6 Ų52.613%0.12727%0.271CS..Hα-helixtrans-58.9-47.4174.9168.50000111.3S95 T96 T101 A102 I103 T233 W237 Y238 P244S95-V99 WeakPolarHBondContact O-CG2 3.3Å; S95-V99 PolarHBondContact O-N 3.37Å; T96-V99 PolarHBondContact O-N 3.35Å; V99-T101 VanDerWaalsContact C-N 3.29Å; V99-T101 PolarHBondContact O-N 2.98Å; V99-A102 WeakPolarHBondContact O-CB 3.16Å; V99-A102 PolarHBondContact O-N 3.46Å; V99-A102 VanDerWaalsContact O-N 3.16Å; V99-I103 HydrophobicContact CG1-CD1 3.86Å; V99-I103 HydrophobicContact CG1-CG1 4.45Å; V99-I103 WeakPolarHBondContact O-CG1 3.37Å; V99-I103 PolarHBondContact O-N 3.48Å; V99-T233 HydrophobicContact CG1-CG2 3.8Å; V99-W237 HydrophobicContact CB-CZ3 4.19Å; V99-W237 HydrophobicContact CG1-CE3 4.24Å; V99-W237 HydrophobicContact CG1-CH2 4.47Å; V99-W237 HydrophobicContact CG1-CZ3 3.54Å; V99-W237 HydrophobicContact CG2-CH2 3.63Å; V99-W237 HydrophobicContact CG2-CZ3 3.52Å; V99-Y238 HydrophobicContact CG1-CE1 4.3Å; V99-Y238 WeakPolarHBondContact CG1-OH 3.44Å; V99-P244 HydrophobicContact CG2-CG 4.02Å
100G96.1Very high94.7Very high0 Ų052.6 Ų52.60%027%0.271CS..Hα-helixtrans-60.2-38.6177.400000112.9T96 L97 L98 I103 W104T96-G100 PolarHBondContact O-N 2.97Å; L97-G100 PolarHBondContact O-N 3.44Å; L98-G100 PolarHBondContact O-N 3.41Å; G100-I103 PolarHBondContact O-N 3.2Å; G100-W104 WeakPolarHBondContact O-CB 3.41Å; G100-W104 PolarHBondContact O-N 3.42Å
101T96.4Very high94.7Very high44 Ų4452.5 Ų52.527%0.2727%0.27SS..Hα-helixtrans-64.1-42.9175-56.30000111.2W65 L97 L98 V99 W104 Y105W65-T101 VanDerWaalsContact CZ2-N 3.26Å; W65-T101 VanDerWaalsContact CZ2-OG1 3.27Å; W65-T101 WeakPolarHBondContact CZ2-OG1 3.23Å; W65-T101 PolarHBondContact NE1-OG1 3.37Å; W65-T101 VanDerWaalsContact NE1-OG1 3.09Å; L97-T101 WeakPolarHBondContact O-CB 3.35Å; L97-T101 PolarHBondContact O-N 2.82Å; L97-T101 PolarHBondContact O-OG1 3.05Å; L98-T101 WeakPolarHBondContact O-CB 3.33Å; L98-T101 PolarHBondContact O-N 3.36Å; V99-T101 VanDerWaalsContact C-N 3.29Å; V99-T101 PolarHBondContact O-N 2.98Å; T101-W104 PolarHBondContact O-N 2.99Å; T101-Y105 WeakPolarHBondContact O-CB 3.48Å; T101-Y105 PolarHBondContact O-N 2.89Å
102A96.5Very high94.4Very high45 Ų4549.9 Ų49.937%0.37226%0.261SS..Hα-helixtrans-63.2-44.3176.500000111.8L98 V99 Y105 I106L98-A102 PolarHBondContact O-N 3.35Å; V99-A102 WeakPolarHBondContact O-CB 3.16Å; V99-A102 PolarHBondContact O-N 3.46Å; V99-A102 VanDerWaalsContact O-N 3.16Å; A102-Y105 PolarHBondContact O-N 3.35Å; A102-I106 WeakPolarHBondContact O-CB 3.31Å; A102-I106 WeakPolarHBondContact O-CD1 3.5Å; A102-I106 WeakPolarHBondContact O-CG1 3.41Å; A102-I106 PolarHBondContact O-N 3.13Å
103I96.1Very high94.3Very high31 Ų3148.5 Ų48.516%0.15926%0.262CS..Hα-helixtrans-61.2-47.8176.9-70170.1000110.7V99 G100 Y105 I106 C107 F157 F161 T233V99-I103 HydrophobicContact CG1-CD1 3.86Å; V99-I103 HydrophobicContact CG1-CG1 4.45Å; V99-I103 WeakPolarHBondContact O-CG1 3.37Å; V99-I103 PolarHBondContact O-N 3.48Å; G100-I103 PolarHBondContact O-N 3.2Å; I103-Y105 PolarHBondContact O-N 2.89Å; I103-I106 PolarHBondContact O-N 3.37Å; I103-C107 VanDerWaalsContact O-CB 3.3Å; I103-C107 WeakPolarHBondContact O-CB 3.3Å; I103-C107 PolarHBondContact O-N 2.98Å; I103-C107 PolarHBondContact O-SG 3.33Å; I103-C107 VanDerWaalsContact O-SG 3.34Å; I103-F157 HydrophobicContact CG2-CZ 4.36Å; I103-F161 HydrophobicContact CB-CZ 4.31Å; I103-F161 HydrophobicContact CD1-CE2 4.39Å; I103-F161 HydrophobicContact CD1-CZ 4.14Å; I103-F161 HydrophobicContact CG2-CE1 4.48Å; I103-F161 HydrophobicContact CG2-CE2 4.25Å; I103-F161 HydrophobicContact CG2-CZ 4.09Å; I103-T233 HydrophobicContact CD1-CG2 3.3Å
104W95.1Very high94.1Very high85 Ų8550.6 Ų50.632%0.32227%0.273SS..Hα-helixtrans-57.5-48.7176.7167.169.5000111.9G100 T101 T108 L158G100-W104 WeakPolarHBondContact O-CB 3.41Å; G100-W104 PolarHBondContact O-N 3.42Å; T101-W104 PolarHBondContact O-N 2.99Å; W104-T108 WeakPolarHBondContact O-CB 3.44Å; W104-T108 VanDerWaalsContact O-CG2 3.31Å; W104-T108 WeakPolarHBondContact O-CG2 3.2Å; W104-T108 PolarHBondContact O-N 2.86Å; W104-T108 PolarHBondContact O-OG1 2.9Å; W104-L158 HydrophobicContact CG-CD1 4.43Å
105Y94.4Very high93.7Very high157 Ų15750 Ų5062%0.61627%0.269SS*.Hα-helixtrans-62.5-46.6179.7-178.2-99.5000112.4T101 A102 I103 T108 S109T101-Y105 WeakPolarHBondContact O-CB 3.48Å; T101-Y105 PolarHBondContact O-N 2.89Å; A102-Y105 PolarHBondContact O-N 3.35Å; I103-Y105 PolarHBondContact O-N 2.89Å; Y105-T108 PolarHBondContact O-OG1 3.2Å; Y105-T108 VanDerWaalsContact O-OG1 3.07Å; Y105-S109 VanDerWaalsContact O-CB 3.27Å; Y105-S109 WeakPolarHBondContact O-CB 2.99Å; Y105-S109 PolarHBondContact O-N 3.05Å
106I95.4Very high93.3Very high96 Ų9650.9 Ų50.949%0.49227%0.269SS..Hα-helixtrans-63.5-49.3179.2-68.7165.6000110.6A102 I103 T108 S109 I110A102-I106 WeakPolarHBondContact O-CB 3.31Å; A102-I106 WeakPolarHBondContact O-CD1 3.5Å; A102-I106 WeakPolarHBondContact O-CG1 3.41Å; A102-I106 PolarHBondContact O-N 3.13Å; I103-I106 PolarHBondContact O-N 3.37Å; I106-T108 PolarHBondContact O-N 3.31Å; I106-S109 PolarHBondContact O-N 3.25Å; I106-I110 HydrophobicContact CG2-CD1 3.76Å; I106-I110 HydrophobicContact CG2-CG1 4.45Å; I106-I110 VanDerWaalsContact O-CG1 3.29Å; I106-I110 WeakPolarHBondContact O-CG1 3.39Å; I106-I110 PolarHBondContact O-N 3.4Å
107C94.8Very high92.8Very high13 Ų1359.7 Ų59.79%0.08830%0.303CS..Hα-helixtrans-61.8-45.7179.9-72.90000112I103 S109 I110 F111 F157I103-C107 VanDerWaalsContact O-CB 3.3Å; I103-C107 WeakPolarHBondContact O-CB 3.3Å; I103-C107 PolarHBondContact O-N 2.98Å; I103-C107 PolarHBondContact O-SG 3.33Å; I103-C107 VanDerWaalsContact O-SG 3.34Å; C107-S109 VanDerWaalsContact C-N 3.33Å; C107-S109 PolarHBondContact O-N 3.19Å; C107-I110 WeakPolarHBondContact O-CB 3.37Å; C107-I110 PolarHBondContact O-N 2.94Å; C107-F111 HydrophobicContact CB-CE1 4.46Å; C107-F111 HydrophobicContact CB-CZ 4.16Å; C107-F111 WeakPolarHBondContact O-CD1 3.43Å; C107-F111 WeakPolarHBondContact O-CG 3.34Å; C107-F111 PolarHBondContact O-N 3.22Å; C107-F157 HydrophobicContact CB-CD1 4.37Å; C107-F157 HydrophobicContact CB-CE1 3.7Å; C107-F157 HydrophobicContact CB-CE2 3.89Å; C107-F157 HydrophobicContact CB-CZ 3.43Å; C107-F157 VanDerWaalsContact CB-CZ 3.43Å
108T91.1Very high92.4Very high43 Ų4363 Ų6326%0.26432%0.324SS..Hα-helixtrans-65.4-36.4178.451.10000112.5W104 Y105 I106 F111 S112 F157W104-T108 WeakPolarHBondContact O-CB 3.44Å; W104-T108 VanDerWaalsContact O-CG2 3.31Å; W104-T108 WeakPolarHBondContact O-CG2 3.2Å; W104-T108 PolarHBondContact O-N 2.86Å; W104-T108 PolarHBondContact O-OG1 2.9Å; Y105-T108 PolarHBondContact O-OG1 3.2Å; Y105-T108 VanDerWaalsContact O-OG1 3.07Å; I106-T108 PolarHBondContact O-N 3.31Å; T108-F111 PolarHBondContact O-N 2.94Å; T108-S112 PolarHBondContact O-N 2.87Å; T108-F157 HydrophobicContact CG2-CE1 4.46Å
109S92.8Very high91.8Very high47 Ų4757.5 Ų57.533%0.32930%0.297SS..Hα-helixtrans-63.1-44.3171.7-176.30000111.8Y105 I106 C107 F111 S112 N113Y105-S109 VanDerWaalsContact O-CB 3.27Å; Y105-S109 WeakPolarHBondContact O-CB 2.99Å; Y105-S109 PolarHBondContact O-N 3.05Å; I106-S109 PolarHBondContact O-N 3.25Å; C107-S109 VanDerWaalsContact C-N 3.33Å; C107-S109 PolarHBondContact O-N 3.19Å; S109-F111 VanDerWaalsContact C-N 3.35Å; S109-F111 PolarHBondContact O-N 2.77Å; S109-S112 PolarHBondContact O-N 2.87Å; S109-N113 WeakPolarHBondContact O-CB 3.38Å; S109-N113 PolarHBondContact O-N 3.18Å; S109-N113 PolarHBondContact O-ND2 3.11Å
110I93.4Very high91.2Very high65 Ų6559 Ų5933%0.33331%0.309SS..Hα-helixtrans-59.7-45.5175.1-71166.9000110.6I106 C107 S112 N113 I114I106-I110 HydrophobicContact CG2-CD1 3.76Å; I106-I110 HydrophobicContact CG2-CG1 4.45Å; I106-I110 VanDerWaalsContact O-CG1 3.29Å; I106-I110 WeakPolarHBondContact O-CG1 3.39Å; I106-I110 PolarHBondContact O-N 3.4Å; C107-I110 WeakPolarHBondContact O-CB 3.37Å; C107-I110 PolarHBondContact O-N 2.94Å; I110-S112 PolarHBondContact O-N 2.94Å; I110-N113 PolarHBondContact O-N 3.04Å; I110-I114 HydrophobicContact CG2-CD1 3.58Å; I110-I114 HydrophobicContact CG2-CG1 4.23Å; I110-I114 VanDerWaalsContact O-CG1 3.31Å; I110-I114 WeakPolarHBondContact O-CG1 3.33Å; I110-I114 PolarHBondContact O-N 2.71Å
111F92.4Very high90.7Very high10 Ų1059 Ų594%0.04431%0.309CS..Hα-helixtrans-61.3-44.7179.8-60.6-10.6000111.6C107 T108 S109 N113 I114 E115 I152 F157 F225C107-F111 HydrophobicContact CB-CE1 4.46Å; C107-F111 HydrophobicContact CB-CZ 4.16Å; C107-F111 WeakPolarHBondContact O-CD1 3.43Å; C107-F111 WeakPolarHBondContact O-CG 3.34Å; C107-F111 PolarHBondContact O-N 3.22Å; T108-F111 PolarHBondContact O-N 2.94Å; S109-F111 VanDerWaalsContact C-N 3.35Å; S109-F111 PolarHBondContact O-N 2.77Å; F111-N113 VanDerWaalsContact C-N 3.32Å; F111-N113 PolarHBondContact O-N 2.68Å; F111-I114 PolarHBondContact O-N 2.88Å; F111-E115 PolarHBondContact O-N 3.36Å; F111-I152 HydrophobicContact CB-CB 4.33Å; F111-I152 HydrophobicContact CD1-CB 3.94Å; F111-I152 HydrophobicContact CD1-CD1 3.69Å; F111-I152 HydrophobicContact CD1-CG1 4.41Å; F111-I152 HydrophobicContact CD1-CG2 3.83Å; F111-I152 HydrophobicContact CD2-CB 4.31Å; F111-I152 HydrophobicContact CD2-CG2 4.05Å; F111-I152 HydrophobicContact CE1-CB 4.36Å; F111-I152 HydrophobicContact CE1-CD1 4.09Å; F111-I152 HydrophobicContact CE1-CG2 3.74Å; F111-I152 HydrophobicContact CE2-CG2 3.94Å; F111-I152 HydrophobicContact CG-CB 3.94Å; F111-I152 HydrophobicContact CG-CD1 4.44Å; F111-I152 HydrophobicContact CG-CG2 4.01Å; F111-I152 HydrophobicContact CZ-CG2 3.79Å; F111-F157 HydrophobicContact CE2-CB 3.7Å; F111-F157 AromaticContact CE2-CD1 3.76Å; F111-F157 HydrophobicContact CE2-CD1 3.76Å; F111-F157 AromaticContact CE2-CG 3.75Å; F111-F157 HydrophobicContact CE2-CG 3.75Å; F111-F157 HydrophobicContact CZ-CB 3.99Å; F111-F157 HydrophobicContact CZ-CD1 4.29Å; F111-F157 HydrophobicContact CZ-CD2 4.35Å; F111-F157 AromaticContact CZ-CG 3.94Å; F111-F157 HydrophobicContact CZ-CG 3.94Å; F111-F225 HydrophobicContact CE1-CB 4.2Å; F111-F225 HydrophobicContact CE1-CD1 4.05Å; F111-F225 AromaticContact CE1-CD2 3.52Å; F111-F225 HydrophobicContact CE1-CD2 3.52Å; F111-F225 HydrophobicContact CE1-CE1 4.31Å; F111-F225 AromaticContact CE1-CE2 3.83Å; F111-F225 HydrophobicContact CE1-CE2 3.83Å; F111-F225 AromaticContact CE1-CG 3.66Å; F111-F225 HydrophobicContact CE1-CG 3.66Å; F111-F225 HydrophobicContact CE1-CZ 4.21Å; F111-F225 HydrophobicContact CZ-CB 3.79Å; F111-F225 HydrophobicContact CZ-CD1 4.42Å; F111-F225 AromaticContact CZ-CD2 3.91Å; F111-F225 HydrophobicContact CZ-CD2 3.91Å; F111-F225 AromaticContact CZ-CG 3.8Å; F111-F225 HydrophobicContact CZ-CG 3.8Å
112S88.1Confident90Very high68 Ų6859.1 Ų59.148%0.47631%0.305SS..Hα-helixtrans-64.2-37.5177.1-172.20000112.4T108 S109 I110 H116T108-S112 PolarHBondContact O-N 2.87Å; S109-S112 PolarHBondContact O-N 2.87Å; I110-S112 PolarHBondContact O-N 2.94Å; S112-H116 WeakPolarHBondContact O-CB 3.47Å; S112-H116 PolarHBondContact O-N 3.49Å; S112-H116 VanDerWaalsContact O-N 3.08Å
113N89.8Confident89.3Confident73 Ų7362.6 Ų62.639%0.3931%0.314SS..Hα-helixtrans-67.8-43.4175.2-78.7-56.8000111.5S109 I110 F111 E115 H116 Y117S109-N113 WeakPolarHBondContact O-CB 3.38Å; S109-N113 PolarHBondContact O-N 3.18Å; S109-N113 PolarHBondContact O-ND2 3.11Å; I110-N113 PolarHBondContact O-N 3.04Å; F111-N113 VanDerWaalsContact C-N 3.32Å; F111-N113 PolarHBondContact O-N 2.68Å; N113-E115 PolarHBondContact O-N 2.73Å; N113-H116 WeakPolarHBondContact O-CB 3.23Å; N113-H116 PolarHBondContact O-N 3.05Å; N113-H116 VanDerWaalsContact O-N 3.15Å; N113-Y117 HydrophobicContact CB-CD2 4.4Å; N113-Y117 HydrophobicContact CB-CE2 4.31Å; N113-Y117 WeakPolarHBondContact O-CD2 3.46Å; N113-Y117 PolarHBondContact O-N 3.09Å
114I89Confident88.3Confident51 Ų5162.4 Ų62.426%0.26232%0.315SS..Hα-helixtrans-60.3-46.4177.2-70.5168.4000110.4I110 F111 H116 Y117 T118 F150 I152I110-I114 HydrophobicContact CG2-CD1 3.58Å; I110-I114 HydrophobicContact CG2-CG1 4.23Å; I110-I114 VanDerWaalsContact O-CG1 3.31Å; I110-I114 WeakPolarHBondContact O-CG1 3.33Å; I110-I114 PolarHBondContact O-N 2.71Å; F111-I114 PolarHBondContact O-N 2.88Å; I114-H116 PolarHBondContact O-N 2.99Å; I114-Y117 PolarHBondContact O-N 3.22Å; I114-T118 HydrophobicContact CG2-CG2 4.13Å; I114-T118 WeakPolarHBondContact O-CB 3.36Å; I114-T118 VanDerWaalsContact O-CG2 3.31Å; I114-T118 WeakPolarHBondContact O-CG2 3.39Å; I114-T118 PolarHBondContact O-N 3.03Å; I114-T118 PolarHBondContact O-OG1 2.89Å; I114-F150 HydrophobicContact CG2-CD1 4Å; I114-I152 HydrophobicContact CD1-CD1 3.61Å; I114-I152 HydrophobicContact CG2-CD1 4.35Å
115E87.9Confident87.1Confident28 Ų2863.2 Ų63.213%0.13133%0.331CS..Hα-helixtrans-60.8-36.2176.7-166.5-158.6166.700111.9F111 N113 G119 K137 W147 D151F111-E115 PolarHBondContact O-N 3.36Å; N113-E115 PolarHBondContact O-N 2.73Å; E115-G119 PolarHBondContact O-N 3.34Å; E115-G119 VanDerWaalsContact O-N 3.16Å; E115-K137 IonicContact OE1-NZ 3.95Å; E115-K137 PolarHBondContact OE1-NZ 3.39Å; E115-K137 IonicContact OE2-NZ 3.61Å; E115-K137 PolarHBondContact OE2-NZ 3.32Å; E115-W147 PolarHBondContact O-NE1 2.85Å; E115-D151 HydrophobicContact CG-CB 4.31Å
116H85.6Confident86.2Confident60 Ų6059.2 Ų59.228%0.27833%0.33SS..Hα-helixtrans-71.3-38.5177.2-175.882.1000113.3S112 N113 I114 W147S112-H116 WeakPolarHBondContact O-CB 3.47Å; S112-H116 PolarHBondContact O-N 3.49Å; S112-H116 VanDerWaalsContact O-N 3.08Å; N113-H116 WeakPolarHBondContact O-CB 3.23Å; N113-H116 PolarHBondContact O-N 3.05Å; N113-H116 VanDerWaalsContact O-N 3.15Å; I114-H116 PolarHBondContact O-N 2.99Å; H116-W147 WeakPolarHBondContact O-CZ2 3.25Å
117Y85.9Confident85.2Confident184 Ų18458.3 Ų58.372%0.72233%0.326SS*.Hα-helixtrans-82.8-29.3-179.8-73.6-64.9000113.5N113 I114N113-Y117 HydrophobicContact CB-CD2 4.4Å; N113-Y117 HydrophobicContact CB-CE2 4.31Å; N113-Y117 WeakPolarHBondContact O-CD2 3.46Å; N113-Y117 PolarHBondContact O-N 3.09Å; I114-Y117 PolarHBondContact O-N 3.22Å
118T87.4Confident84Confident75 Ų7564.1 Ų64.146%0.4635%0.352SS..Hα-helixtrans-89.3-11-179.959.20000113.2I114 F150I114-T118 HydrophobicContact CG2-CG2 4.13Å; I114-T118 WeakPolarHBondContact O-CB 3.36Å; I114-T118 VanDerWaalsContact O-CG2 3.31Å; I114-T118 WeakPolarHBondContact O-CG2 3.39Å; I114-T118 PolarHBondContact O-N 3.03Å; I114-T118 PolarHBondContact O-OG1 2.89Å; T118-F150 HydrophobicContact CG2-CB 4.32Å; T118-F150 WeakPolarHBondContact OG1-CB 3.29Å; T118-F150 PolarHBondContact OG1-N 3.36Å
119G83.8Confident82.9Confident11 Ų1164.2 Ų64.211%0.11336%0.362CS..  trans-88.3162-172.700000114.6E115 W147 H148 G149E115-G119 PolarHBondContact O-N 3.34Å; E115-G119 VanDerWaalsContact O-N 3.16Å; G119-W147 VanDerWaalsContact CA-CZ2 3.45Å; G119-W147 WeakPolarHBondContact O-CH2 3.3Å; G119-W147 WeakPolarHBondContact O-CZ2 3.48Å; G119-H148 CarbonylContact C-O 3.43Å; G119-H148 WeakPolarHBondContact CA-O 3.5Å; G119-G149 VanDerWaalsContact CA-CA 3.42Å
120S84.4Confident82Confident52 Ų5265.7 Ų65.736%0.36437%0.369SS..EExtended strand (participates in β ladder)trans-137.4154.5172.9-68.80000110.1Y122 H148S120-Y122 VanDerWaalsContact O-CD2 3.3Å; S120-Y122 WeakPolarHBondContact O-CD2 3.38Å; S120-Y122 WeakPolarHBondContact O-CE2 3.47Å; S120-H148 PolarHBondContact N-O 2.78Å; S120-H148 PolarHBondContact O-N 3.47Å
121C83.7Confident80.7Confident2 Ų266.2 Ų66.21%0.01437%0.366CS..EExtended strand (participates in β ladder)trans-88126.1177.9-1670000110.9R131 H134 C140 W147C121-R131 HydrophobicContact CB-CB 4.24Å; C121-R131 PolarHBondContact O-N 3.09Å; C121-H134 HydrophobicContact CB-CB 4.33Å; C121-C140 WeakPolarHBondContact CA-SG 3.48Å; C121-C140 HydrophobicContact CB-CB 3.7Å; C121-C140 WeakPolarHBondContact CB-SG 3.22Å; C121-C140 VanDerWaalsContact SG-CA 3.55Å; C121-C140 WeakPolarHBondContact SG-CB 3.42Å; C121-C140 CovalentContact SG-SG 2.03Å; C121-C140 PolarHBondContact SG-SG 2.9Å; C121-W147 HydrophobicContact CB-CE3 4.21Å; C121-W147 HydrophobicContact CB-CZ3 4.35Å
122Y83.6Confident79.4Confident46 Ų4674.7 Ų74.718%0.1840%0.403CS..EExtended strand (participates in β ladder)trans-113.9152177.9-65.9-93.4000111S120 L127 V130 G145 F146 H148S120-Y122 VanDerWaalsContact O-CD2 3.3Å; S120-Y122 WeakPolarHBondContact O-CD2 3.38Å; S120-Y122 WeakPolarHBondContact O-CE2 3.47Å; Y122-L127 HydrophobicContact CD1-CB 4.01Å; Y122-L127 HydrophobicContact CD1-CD2 4.06Å; Y122-L127 WeakPolarHBondContact CD1-O 3.3Å; Y122-L127 HydrophobicContact CD2-CD2 3.68Å; Y122-L127 HydrophobicContact CE1-CB 4.04Å; Y122-L127 HydrophobicContact CE1-CD2 4.11Å; Y122-L127 WeakPolarHBondContact CE1-O 3.47Å; Y122-L127 HydrophobicContact CE2-CD2 3.78Å; Y122-L127 HydrophobicContact CG-CD2 3.83Å; Y122-V130 HydrophobicContact CD1-CG2 4.07Å; Y122-V130 HydrophobicContact CE1-CG2 3.61Å; Y122-G145 WeakPolarHBondContact O-CA 3.48Å; Y122-F146 PolarHBondContact N-O 3.46Å; Y122-F146 PolarHBondContact O-N 3.48Å; Y122-H148 HydrophobicContact CD2-CB 3.82Å; Y122-H148 HydrophobicContact CE2-CB 3.74Å
123Q80.5Confident77.9Confident118 Ų11879.7 Ų79.755%0.55142%0.419SS*.SBendtrans-80.8-26.5179.8-171.9164.4-10.900112.9E128 G129Q123-E128 PolarHBondContact N-O 3.45Å; Q123-G129 PolarHBondContact N-O 2.99Å
124S75.1Confident76.4Confident27 Ų2777.2 Ų77.219%0.18941%0.405CS..SBendtrans-134157.7179.983.20000111.9A126 L127 E128S124-A126 PolarHBondContact O-N 2.95Å; S124-A126 PolarHBondContact OG-N 3.47Å; S124-L127 PolarHBondContact O-N 3.39Å; S124-L127 VanDerWaalsContact O-N 3.1Å; S124-E128 PolarHBondContact OG-N 2.96Å
125P70.1Confident75.1Confident102 Ų10283 Ų8366%0.66243%0.431SS*.THydrogen-bonded Turntrans-69.7-10.9174.828-32.6000113.1L127 F146P125-L127 PolarHBondContact O-N 2.97Å; P125-F146 HydrophobicContact CB-CD1 4.33Å; P125-F146 HydrophobicContact CB-CE1 4.32Å; P125-F146 HydrophobicContact CG-CZ 4.35Å
126A75Confident74.5Confident72 Ų7283 Ų8360%0.59543%0.434SS*.THydrogen-bonded Turntrans-78.96.6170.100000112.8S124 E128S124-A126 PolarHBondContact O-N 2.95Å; S124-A126 PolarHBondContact OG-N 3.47Å; A126-E128 HydrophobicContact CB-CG 4.35Å; A126-E128 PolarHBondContact O-N 3.24Å
127L74.3Confident74.1Confident78 Ų7882.9 Ų82.941%0.40843%0.433SS..  trans60.928.7-177.8-59.1165.1000113.1Y122 S124 P125 H148Y122-L127 HydrophobicContact CD1-CB 4.01Å; Y122-L127 HydrophobicContact CD1-CD2 4.06Å; Y122-L127 WeakPolarHBondContact CD1-O 3.3Å; Y122-L127 HydrophobicContact CD2-CD2 3.68Å; Y122-L127 HydrophobicContact CE1-CB 4.04Å; Y122-L127 HydrophobicContact CE1-CD2 4.11Å; Y122-L127 WeakPolarHBondContact CE1-O 3.47Å; Y122-L127 HydrophobicContact CE2-CD2 3.78Å; Y122-L127 HydrophobicContact CG-CD2 3.83Å; S124-L127 PolarHBondContact O-N 3.39Å; S124-L127 VanDerWaalsContact O-N 3.1Å; P125-L127 PolarHBondContact O-N 2.97Å; L127-H148 HydrophobicContact CD2-CB 3.54Å
128E70.6Confident73.8Confident135 Ų13580.8 Ų80.863%0.63143%0.429SS*.  trans-90.4138.9174.9-68.3176.416200111.1Q123 S124 A126Q123-E128 PolarHBondContact N-O 3.45Å; S124-E128 PolarHBondContact OG-N 2.96Å; A126-E128 HydrophobicContact CB-CG 4.35Å; A126-E128 PolarHBondContact O-N 3.24Å
129G67.9Low73.5Confident45 Ų4581.6 Ų81.646%0.46443%0.428SS..SBendtrans68.991.2175.100000113.7Q123 R131Q123-G129 PolarHBondContact N-O 2.99Å; G129-R131 PolarHBondContact O-N 3.24Å
130V72.9Confident73.4Confident78 Ų7881.1 Ų81.147%0.47342%0.423SS..EExtended strand (participates in β ladder)trans-70.7118.1174.2179.30000109.7Y122 K132Y122-V130 HydrophobicContact CD1-CG2 4.07Å; Y122-V130 HydrophobicContact CE1-CG2 3.61Å; V130-K132 HydrophobicContact CG1-CG 4.27Å; V130-K132 PolarHBondContact O-N 2.82Å
131R67.6Low73.3Confident75 Ų7583.3 Ų83.328%0.28343%0.427SS..EExtended strand (participates in β ladder)trans-81.1101.4169.7-71.6-170.3179.1179.65108.9C121 G129 E133 E143C121-R131 HydrophobicContact CB-CB 4.24Å; C121-R131 PolarHBondContact O-N 3.09Å; G129-R131 PolarHBondContact O-N 3.24Å; R131-E133 VanDerWaalsContact C-N 3.26Å; R131-E133 PolarHBondContact O-N 3.04Å; R131-E143 PolarHBondContact NH1-O 3.47Å
132K63.2Low73.2Confident189 Ų18990 Ų9082%0.82246%0.458SS*.THydrogen-bonded Turntrans-74-10.5-178.7-70-176.1178.4178.80114.4V130V130-K132 HydrophobicContact CG1-CG 4.27Å; V130-K132 PolarHBondContact O-N 2.82Å
133E57.7Low72.9Confident173 Ų17392.7 Ų92.781%0.80847%0.472SS*.THydrogen-bonded Turntrans-81.2-21.2-174.6-78177.415300114.2R131R131-E133 VanDerWaalsContact C-N 3.26Å; R131-E133 PolarHBondContact O-N 3.04Å
134H57.2Low72.9Confident21 Ų2189.7 Ų89.710%0.09747%0.473CS..  trans-109.8100.1-172.8-5691.4000112C121 S136 Q139 C140 E143C121-H134 HydrophobicContact CB-CB 4.33Å; H134-S136 VanDerWaalsContact C-N 3.29Å; H134-Q139 HydrophobicContact CB-CB 4.49Å; H134-C140 HydrophobicContact CB-CB 4.43Å; H134-E143 IonicContact CD2-OE1 3.45Å; H134-E143 IonicContact CD2-OE2 2.75Å; H134-E143 VanDerWaalsContact CE1-CD 3.46Å; H134-E143 IonicContact CE1-OE1 2.74Å; H134-E143 IonicContact CE1-OE2 2.73Å; H134-E143 PolarHBondContact CE1-OE2 3.12Å; H134-E143 IonicContact ND1-OE2 2.86Å; H134-E143 IonicContact NE2-OE1 2.78Å; H134-E143 PolarHBondContact NE2-OE1 3.13Å; H134-E143 IonicContact NE2-OE2 3.5Å; H134-E143 PolarHBondContact NE2-OE2 3.28Å
135Q63.6Low73.1Confident172 Ų17288.5 Ų88.580%0.80447%0.465SS*.  trans-79.4-10.9177.8-65.6-173.1-0.100113.3
136S74.6Confident73.7Confident27 Ų2788.2 Ų88.219%0.18945%0.453CS..SBendtrans-115.7136-178.675.80000113.5H134 Q138 Q139 C140H134-S136 VanDerWaalsContact C-N 3.29Å; S136-Q138 PolarHBondContact O-N 3.39Å; S136-Q138 VanDerWaalsContact O-N 3.17Å; S136-Q139 PolarHBondContact O-N 3.39Å; S136-Q139 WeakPolarHBondContact OG-CB 3.27Å; S136-Q139 WeakPolarHBondContact OG-CG 3.47Å; S136-Q139 PolarHBondContact OG-N 3.41Å; S136-Q139 PolarHBondContact OG-OE1 3.48Å; S136-C140 PolarHBondContact O-N 2.94Å
137K76.4Confident74.1Confident59 Ų5986 Ų8626%0.25743%0.43SS..Hα-helixtrans-50-39.1174.2179.7169.9176.7169.20112.8E115 H141 W147E115-K137 IonicContact OE1-NZ 3.95Å; E115-K137 PolarHBondContact OE1-NZ 3.39Å; E115-K137 IonicContact OE2-NZ 3.61Å; E115-K137 PolarHBondContact OE2-NZ 3.32Å; K137-H141 PolarHBondContact O-CD2 2.91Å; K137-H141 PolarHBondContact O-N 3.35Å; K137-H141 VanDerWaalsContact O-N 3.16Å; K137-W147 HydrophobicContact CB-CD2 3.86Å; K137-W147 HydrophobicContact CB-CE3 4.26Å; K137-W147 HydrophobicContact CB-CG 4.03Å; K137-W147 HydrophobicContact CD-CG 4.17Å; K137-W147 HydrophobicContact CG-CB 4.06Å; K137-W147 HydrophobicContact CG-CD2 4.17Å; K137-W147 HydrophobicContact CG-CG 3.78Å
138Q80.6Confident74.5Confident140 Ų14086.9 Ų86.965%0.65443%0.432SS*.Hα-helixtrans-70.3-44.2-177.8-167.5172.4-7.300112.4S136 H141 Q142S136-Q138 PolarHBondContact O-N 3.39Å; S136-Q138 VanDerWaalsContact O-N 3.17Å; Q138-H141 PolarHBondContact O-N 3.33Å; Q138-Q142 VanDerWaalsContact O-CG 3.32Å; Q138-Q142 WeakPolarHBondContact O-CG 3.5Å; Q138-Q142 PolarHBondContact O-N 3.48Å
139Q81.3Confident75.2Confident92 Ų9281 Ų8143%0.4341%0.407SS..Hα-helixtrans-66.1-40.6175.8-70.9166.2-22.300111.4H134 S136 H141 Q142 E143H134-Q139 HydrophobicContact CB-CB 4.49Å; S136-Q139 PolarHBondContact O-N 3.39Å; S136-Q139 WeakPolarHBondContact OG-CB 3.27Å; S136-Q139 WeakPolarHBondContact OG-CG 3.47Å; S136-Q139 PolarHBondContact OG-N 3.41Å; S136-Q139 PolarHBondContact OG-OE1 3.48Å; Q139-H141 VanDerWaalsContact C-N 3.31Å; Q139-H141 PolarHBondContact O-N 3.43Å; Q139-Q142 PolarHBondContact O-N 3.13Å; Q139-E143 PolarHBondContact O-N 3.01Å; Q139-E143 VanDerWaalsContact O-N 3.17Å
140C81Confident76Confident0 Ų082.1 Ų82.10%040%0.399CS..Hα-helixtrans-55.3-46.6175.8-179.70000111.8C121 H134 S136 E143 G145 W147C121-C140 WeakPolarHBondContact CA-SG 3.48Å; C121-C140 HydrophobicContact CB-CB 3.7Å; C121-C140 WeakPolarHBondContact CB-SG 3.22Å; C121-C140 VanDerWaalsContact SG-CA 3.55Å; C121-C140 WeakPolarHBondContact SG-CB 3.42Å; C121-C140 CovalentContact SG-SG 2.03Å; C121-C140 PolarHBondContact SG-SG 2.9Å; H134-C140 HydrophobicContact CB-CB 4.43Å; S136-C140 PolarHBondContact O-N 2.94Å; C140-E143 PolarHBondContact O-N 2.89Å; C140-G145 VanDerWaalsContact O-CA 3.23Å; C140-G145 WeakPolarHBondContact O-CA 3.27Å; C140-G145 PolarHBondContact O-N 2.67Å; C140-W147 HydrophobicContact CB-CE3 3.81Å; C140-W147 HydrophobicContact CB-CZ3 4.42Å
141H81.7Confident76.7Confident98 Ų9881.4 Ų81.445%0.45439%0.393SS..Hα-helixtrans-70.8-34.9178.3-75.7-52.3000113.8K137 Q138 Q139 E143 G144 G145K137-H141 PolarHBondContact O-CD2 2.91Å; K137-H141 PolarHBondContact O-N 3.35Å; K137-H141 VanDerWaalsContact O-N 3.16Å; Q138-H141 PolarHBondContact O-N 3.33Å; Q139-H141 VanDerWaalsContact C-N 3.31Å; Q139-H141 PolarHBondContact O-N 3.43Å; H141-E143 PolarHBondContact O-N 3.42Å; H141-G144 PolarHBondContact O-N 2.95Å; H141-G144 VanDerWaalsContact O-N 3.16Å; H141-G145 PolarHBondContact ND1-O 2.91Å
142Q81.9Confident77.7Confident142 Ų14278.1 Ų78.166%0.66438%0.381SS*.Hα-helixtrans-61.8-32.3177.1-78.2174.6-10.500112.2Q138 Q139 G144Q138-Q142 VanDerWaalsContact O-CG 3.32Å; Q138-Q142 WeakPolarHBondContact O-CG 3.5Å; Q138-Q142 PolarHBondContact O-N 3.48Å; Q139-Q142 PolarHBondContact O-N 3.13Å; Q142-G144 VanDerWaalsContact C-N 3.31Å
143E78.6Confident79Confident104 Ų10469.1 Ų69.149%0.48634%0.342SS..THydrogen-bonded Turntrans-94.117.1178.2-63.6-169-165.100114.1R131 H134 Q139 C140 H141 G145R131-E143 PolarHBondContact NH1-O 3.47Å; H134-E143 IonicContact CD2-OE1 3.45Å; H134-E143 IonicContact CD2-OE2 2.75Å; H134-E143 VanDerWaalsContact CE1-CD 3.46Å; H134-E143 IonicContact CE1-OE1 2.74Å; H134-E143 IonicContact CE1-OE2 2.73Å; H134-E143 PolarHBondContact CE1-OE2 3.12Å; H134-E143 IonicContact ND1-OE2 2.86Å; H134-E143 IonicContact NE2-OE1 2.78Å; H134-E143 PolarHBondContact NE2-OE1 3.13Å; H134-E143 IonicContact NE2-OE2 3.5Å; H134-E143 PolarHBondContact NE2-OE2 3.28Å; Q139-E143 PolarHBondContact O-N 3.01Å; Q139-E143 VanDerWaalsContact O-N 3.17Å; C140-E143 PolarHBondContact O-N 2.89Å; H141-E143 PolarHBondContact O-N 3.42Å; E143-G145 VanDerWaalsContact C-N 3.25Å; E143-G145 PolarHBondContact O-N 3.26Å
144G79.1Confident80.5Confident54 Ų5462.1 Ų62.156%0.55732%0.316SS*.THydrogen-bonded Turntrans72.414.617800000114.6H141 Q142H141-G144 PolarHBondContact O-N 2.95Å; H141-G144 VanDerWaalsContact O-N 3.16Å; Q142-G144 VanDerWaalsContact C-N 3.31Å
145G80.6Confident82Confident3 Ų363.4 Ų63.43%0.03132%0.322CS..  trans-80.1160.9175.200000113.4Y122 C140 H141 E143Y122-G145 WeakPolarHBondContact O-CA 3.48Å; C140-G145 VanDerWaalsContact O-CA 3.23Å; C140-G145 WeakPolarHBondContact O-CA 3.27Å; C140-G145 PolarHBondContact O-N 2.67Å; H141-G145 PolarHBondContact ND1-O 2.91Å; E143-G145 VanDerWaalsContact C-N 3.25Å; E143-G145 PolarHBondContact O-N 3.26Å
146F82.3Confident83.4Confident95 Ų9555.2 Ų55.242%0.41728%0.284SS..EExtended strand (participates in β ladder)trans-106.4112.5178.5-63.9-89.5000109.6Y122 P125Y122-F146 PolarHBondContact N-O 3.46Å; Y122-F146 PolarHBondContact O-N 3.48Å; P125-F146 HydrophobicContact CB-CD1 4.33Å; P125-F146 HydrophobicContact CB-CE1 4.32Å; P125-F146 HydrophobicContact CG-CZ 4.35Å
147W82.4Confident84.3Confident26 Ų2654 Ų5410%0.09828%0.275CS..EExtended strand (participates in β ladder)trans-78.5124.7174.1-169.8-94.9000110.3E115 H116 G119 C121 K137 C140E115-W147 PolarHBondContact O-NE1 2.85Å; H116-W147 WeakPolarHBondContact O-CZ2 3.25Å; G119-W147 VanDerWaalsContact CA-CZ2 3.45Å; G119-W147 WeakPolarHBondContact O-CH2 3.3Å; G119-W147 WeakPolarHBondContact O-CZ2 3.48Å; C121-W147 HydrophobicContact CB-CE3 4.21Å; C121-W147 HydrophobicContact CB-CZ3 4.35Å; K137-W147 HydrophobicContact CB-CD2 3.86Å; K137-W147 HydrophobicContact CB-CE3 4.26Å; K137-W147 HydrophobicContact CB-CG 4.03Å; K137-W147 HydrophobicContact CD-CG 4.17Å; K137-W147 HydrophobicContact CG-CB 4.06Å; K137-W147 HydrophobicContact CG-CD2 4.17Å; K137-W147 HydrophobicContact CG-CG 3.78Å; C140-W147 HydrophobicContact CB-CE3 3.81Å; C140-W147 HydrophobicContact CB-CZ3 4.42Å
148H83.6Confident85.2Confident97 Ų9751.7 Ų51.745%0.44927%0.265SS..EExtended strand (participates in β ladder)trans-127.5118.8174.4-169.380.8000110G119 S120 Y122 L127G119-H148 CarbonylContact C-O 3.43Å; G119-H148 WeakPolarHBondContact CA-O 3.5Å; S120-H148 PolarHBondContact N-O 2.78Å; S120-H148 PolarHBondContact O-N 3.47Å; Y122-H148 HydrophobicContact CD2-CB 3.82Å; Y122-H148 HydrophobicContact CE2-CB 3.74Å; L127-H148 HydrophobicContact CD2-CB 3.54Å
149G84.1Confident85.9Confident11 Ų1145 Ų4511%0.11323%0.234CC..  trans-145.7-178.5178.300000111.3G119 D151G119-G149 VanDerWaalsContact CA-CA 3.42Å; G149-D151 PolarHBondContact O-N 3.23Å
150F86.3Confident86.6Confident68 Ų6840.7 Ų40.730%0.29821%0.214SC..  trans-74.293.6177.6-172.8-103.9000110.5I114 T118 I152 Q218I114-F150 HydrophobicContact CG2-CD1 4Å; T118-F150 HydrophobicContact CG2-CB 4.32Å; T118-F150 WeakPolarHBondContact OG1-CB 3.29Å; T118-F150 PolarHBondContact OG1-N 3.36Å; F150-I152 HydrophobicContact CD1-CD1 4.48Å; F150-I152 HydrophobicContact CD1-CG1 3.84Å; F150-I152 HydrophobicContact CE1-CD1 4.16Å; F150-I152 HydrophobicContact CE1-CG1 3.48Å; F150-I152 VanDerWaalsContact CE1-CG1 3.48Å; F150-I152 HydrophobicContact CZ-CG1 4.47Å; F150-I152 PolarHBondContact O-N 3.03Å; F150-Q218 HydrophobicContact CD2-CG 4.18Å; F150-Q218 HydrophobicContact CE2-CG 3.75Å; F150-Q218 HydrophobicContact CZ-CG 4.18Å
151D86.6Confident87.3Confident63 Ų6340.7 Ų40.734%0.33721%0.214SC..  trans-86.9101.7178-178.425.6000111.4E115 G149 H214 Q218E115-D151 HydrophobicContact CG-CB 4.31Å; G149-D151 PolarHBondContact O-N 3.23Å; D151-H214 IonicContact OD2-CE1 3.9Å; D151-H214 PolarHBondContact OD2-CE1 3.17Å; D151-Q218 WeakPolarHBondContact O-CB 3.15Å; D151-Q218 WeakPolarHBondContact O-CG 3.22Å; D151-Q218 PolarHBondContact O-OE1 2.95Å
152I89.9Confident88Confident6 Ų636 Ų363%0.03119%0.193CC..  trans-66.7134.1175-65.2172.2000109.2F111 I114 F150 G154 F225F111-I152 HydrophobicContact CB-CB 4.33Å; F111-I152 HydrophobicContact CD1-CB 3.94Å; F111-I152 HydrophobicContact CD1-CD1 3.69Å; F111-I152 HydrophobicContact CD1-CG1 4.41Å; F111-I152 HydrophobicContact CD1-CG2 3.83Å; F111-I152 HydrophobicContact CD2-CB 4.31Å; F111-I152 HydrophobicContact CD2-CG2 4.05Å; F111-I152 HydrophobicContact CE1-CB 4.36Å; F111-I152 HydrophobicContact CE1-CD1 4.09Å; F111-I152 HydrophobicContact CE1-CG2 3.74Å; F111-I152 HydrophobicContact CE2-CG2 3.94Å; F111-I152 HydrophobicContact CG-CB 3.94Å; F111-I152 HydrophobicContact CG-CD1 4.44Å; F111-I152 HydrophobicContact CG-CG2 4.01Å; F111-I152 HydrophobicContact CZ-CG2 3.79Å; I114-I152 HydrophobicContact CD1-CD1 3.61Å; I114-I152 HydrophobicContact CG2-CD1 4.35Å; F150-I152 HydrophobicContact CD1-CD1 4.48Å; F150-I152 HydrophobicContact CD1-CG1 3.84Å; F150-I152 HydrophobicContact CE1-CD1 4.16Å; F150-I152 HydrophobicContact CE1-CG1 3.48Å; F150-I152 VanDerWaalsContact CE1-CG1 3.48Å; F150-I152 HydrophobicContact CZ-CG1 4.47Å; F150-I152 PolarHBondContact O-N 3.03Å; I152-G154 PolarHBondContact O-N 2.94Å; I152-F225 HydrophobicContact CD1-CE2 4.25Å
153S90.6Very high88.6Confident0 Ų029.3 Ų29.30%016%0.161CC..  trans-69.197.6-177.8-168.20000112.3H155 S156 F157 H214 Q218S153-H155 PolarHBondContact O-N 3.23Å; S153-S156 PolarHBondContact O-N 2.89Å; S153-S156 PolarHBondContact OG-N 3.42Å; S153-S156 PolarHBondContact OG-OG 2.77Å; S153-F157 PolarHBondContact O-N 3.45Å; S153-F157 VanDerWaalsContact O-N 3.12Å; S153-H214 PolarHBondContact OG-CD2 2.93Å; S153-H214 PolarHBondContact OG-NE2 3.3Å; S153-Q218 PolarHBondContact N-O 3.35Å; S153-Q218 VanDerWaalsContact N-O 3.16Å
154G88.6Confident89.4Confident26 Ų2624.6 Ų24.627%0.26814%0.139SC..Hα-helixtrans-60.5-29.8174.800000113.2I152 L158I152-G154 PolarHBondContact O-N 2.94Å; G154-L158 VanDerWaalsContact O-CB 3.29Å; G154-L158 WeakPolarHBondContact O-CB 3.44Å; G154-L158 PolarHBondContact O-N 2.9Å
155H89.2Confident90.2Very high48 Ų4822 Ų2222%0.22211%0.113CC..Hα-helixtrans-68.7-46.6174.7-62160000111.8N57 V61 S153 F157 L158 L159 T209N57-H155 PolarHBondContact OD1-CE1 3.47Å; V61-H155 HydrophobicContact CG1-CB 3.94Å; V61-H155 WeakPolarHBondContact CG1-CD2 3.32Å; V61-H155 VanDerWaalsContact CG1-CG 3.48Å; S153-H155 PolarHBondContact O-N 3.23Å; H155-F157 VanDerWaalsContact C-N 3.27Å; H155-F157 PolarHBondContact O-N 3.34Å; H155-L158 PolarHBondContact O-N 3.28Å; H155-L159 HydrophobicContact CB-CD1 4.48Å; H155-L159 VanDerWaalsContact O-CB 3.28Å; H155-L159 WeakPolarHBondContact O-CB 3.35Å; H155-L159 WeakPolarHBondContact O-CG 3.3Å; H155-L159 PolarHBondContact O-N 3.38Å; H155-T209 HydrophobicContact CB-CG2 4.23Å
156S91.9Very high90.9Very high1 Ų121.9 Ų21.91%0.00711%0.112CC..Hα-helixtrans-58.9-41.3175.4-65.90000111.5S153 T160S153-S156 PolarHBondContact O-N 2.89Å; S153-S156 PolarHBondContact OG-N 3.42Å; S153-S156 PolarHBondContact OG-OG 2.77Å; S156-T160 WeakPolarHBondContact O-CB 3.25Å; S156-T160 PolarHBondContact O-N 2.85Å; S156-T160 PolarHBondContact O-OG1 3.49Å
157F94.8Very high91.4Very high0 Ų017.6 Ų17.60%09%0.093CC..Hα-helixtrans-59.1-60.1172.7159.9-113.6000112.4I103 C107 T108 F111 S153 H155 L159 T160 F161 G222 F225I103-F157 HydrophobicContact CG2-CZ 4.36Å; C107-F157 HydrophobicContact CB-CD1 4.37Å; C107-F157 HydrophobicContact CB-CE1 3.7Å; C107-F157 HydrophobicContact CB-CE2 3.89Å; C107-F157 HydrophobicContact CB-CZ 3.43Å; C107-F157 VanDerWaalsContact CB-CZ 3.43Å; T108-F157 HydrophobicContact CG2-CE1 4.46Å; F111-F157 HydrophobicContact CE2-CB 3.7Å; F111-F157 AromaticContact CE2-CD1 3.76Å; F111-F157 HydrophobicContact CE2-CD1 3.76Å; F111-F157 AromaticContact CE2-CG 3.75Å; F111-F157 HydrophobicContact CE2-CG 3.75Å; F111-F157 HydrophobicContact CZ-CB 3.99Å; F111-F157 HydrophobicContact CZ-CD1 4.29Å; F111-F157 HydrophobicContact CZ-CD2 4.35Å; F111-F157 AromaticContact CZ-CG 3.94Å; F111-F157 HydrophobicContact CZ-CG 3.94Å; S153-F157 PolarHBondContact O-N 3.45Å; S153-F157 VanDerWaalsContact O-N 3.12Å; H155-F157 VanDerWaalsContact C-N 3.27Å; H155-F157 PolarHBondContact O-N 3.34Å; F157-L159 PolarHBondContact O-N 3.42Å; F157-T160 PolarHBondContact O-N 2.76Å; F157-F161 HydrophobicContact CE2-CB 4.36Å; F157-F161 WeakPolarHBondContact O-CB 3.33Å; F157-F161 PolarHBondContact O-N 3.26Å; F157-G222 WeakPolarHBondContact CA-O 3.35Å; F157-G222 WeakPolarHBondContact CB-O 3.37Å; F157-F225 HydrophobicContact CD2-CB 3.89Å; F157-F225 HydrophobicContact CE2-CB 4.48Å
158L94.5Very high91.8Very high11 Ų1117.2 Ų17.26%0.0589%0.092CC..Hα-helixtrans-67.5-41.9-168.7-175.355.9000112.1A64 W65 W104 G154 H155 F161 C162A64-L158 HydrophobicContact CB-CD2 3.88Å; A64-L158 HydrophobicContact CB-CG 4.08Å; W65-L158 HydrophobicContact CB-CD1 4.23Å; W104-L158 HydrophobicContact CG-CD1 4.43Å; G154-L158 VanDerWaalsContact O-CB 3.29Å; G154-L158 WeakPolarHBondContact O-CB 3.44Å; G154-L158 PolarHBondContact O-N 2.9Å; H155-L158 PolarHBondContact O-N 3.28Å; L158-F161 PolarHBondContact O-N 3.01Å; L158-C162 WeakPolarHBondContact O-CB 2.94Å; L158-C162 PolarHBondContact O-N 3.49Å; L158-C162 PolarHBondContact O-SG 2.85Å
159L94.4Very high92.3Very high1 Ų112.7 Ų12.71%0.0057%0.071CC..Hα-helixtrans-66.3-42.1179.7-64.1174.3000111.7V61 A64 H155 F157 A163 W202 M205 F206V61-L159 HydrophobicContact CG1-CD1 4.3Å; V61-L159 HydrophobicContact CG1-CD2 4.42Å; V61-L159 HydrophobicContact CG1-CG 4.45Å; V61-L159 HydrophobicContact CG2-CD1 4.49Å; V61-L159 HydrophobicContact CG2-CD2 4.49Å; A64-L159 HydrophobicContact CB-CD2 4.28Å; H155-L159 HydrophobicContact CB-CD1 4.48Å; H155-L159 VanDerWaalsContact O-CB 3.28Å; H155-L159 WeakPolarHBondContact O-CB 3.35Å; H155-L159 WeakPolarHBondContact O-CG 3.3Å; H155-L159 PolarHBondContact O-N 3.38Å; F157-L159 PolarHBondContact O-N 3.42Å; L159-A163 VanDerWaalsContact O-CB 3.27Å; L159-A163 WeakPolarHBondContact O-CB 3.34Å; L159-A163 PolarHBondContact O-N 3.02Å; L159-W202 HydrophobicContact CD2-CB 4.33Å; L159-W202 HydrophobicContact CD2-CD2 3.89Å; L159-W202 HydrophobicContact CD2-CE3 3.31Å; L159-W202 HydrophobicContact CD2-CG 4.33Å; L159-W202 HydrophobicContact CD2-CZ3 3.94Å; L159-M205 HydrophobicContact CD1-CB 3.76Å; L159-M205 HydrophobicContact CD2-CB 4.35Å; L159-F206 HydrophobicContact CB-CB 4.25Å; L159-F206 HydrophobicContact CB-CD2 4.42Å; L159-F206 HydrophobicContact CD1-CB 4.3Å
160T95.7Very high92.6Very high0 Ų012.1 Ų12.10%07%0.066CC..Hα-helixtrans-61.6-49.9174.8-59.70000110.6L28 S156 F157 A163 L164 F206 T223 L227L28-T160 HydrophobicContact CD1-CG2 4.04Å; S156-T160 WeakPolarHBondContact O-CB 3.25Å; S156-T160 PolarHBondContact O-N 2.85Å; S156-T160 PolarHBondContact O-OG1 3.49Å; F157-T160 PolarHBondContact O-N 2.76Å; T160-A163 PolarHBondContact O-N 2.95Å; T160-L164 HydrophobicContact CG2-CD1 3.88Å; T160-L164 VanDerWaalsContact O-CG 3.3Å; T160-L164 WeakPolarHBondContact O-CG 3.16Å; T160-L164 PolarHBondContact O-N 3.5Å; T160-L164 VanDerWaalsContact O-N 3.13Å; T160-F206 WeakPolarHBondContact OG1-CE2 3.3Å; T160-T223 HydrophobicContact CG2-CG2 4.31Å; T160-L227 HydrophobicContact CG2-CD2 4.23Å; T160-L227 HydrophobicContact CG2-CG 4.2Å
161F96.5Very high92.6Very high1 Ų19.4 Ų9.40%0.0046%0.055CC..Hα-helixtrans-61.9-48.5-178.1-178.1-112.6000112W65 I103 F157 L158 L164 M165 W230W65-F161 HydrophobicContact CZ3-CD1 4.45Å; W65-F161 HydrophobicContact CZ3-CE1 4Å; I103-F161 HydrophobicContact CB-CZ 4.31Å; I103-F161 HydrophobicContact CD1-CE2 4.39Å; I103-F161 HydrophobicContact CD1-CZ 4.14Å; I103-F161 HydrophobicContact CG2-CE1 4.48Å; I103-F161 HydrophobicContact CG2-CE2 4.25Å; I103-F161 HydrophobicContact CG2-CZ 4.09Å; F157-F161 HydrophobicContact CE2-CB 4.36Å; F157-F161 WeakPolarHBondContact O-CB 3.33Å; F157-F161 PolarHBondContact O-N 3.26Å; L158-F161 PolarHBondContact O-N 3.01Å; F161-L164 PolarHBondContact O-N 2.84Å; F161-M165 HydrophobicContact CE1-SD 4.31Å; F161-M165 HydrophobicContact CZ-SD 4.43Å; F161-M165 VanDerWaalsContact O-CB 3.32Å; F161-M165 WeakPolarHBondContact O-CB 3.09Å; F161-M165 PolarHBondContact O-N 3.22Å; F161-W230 HydrophobicContact CD2-CB 4.44Å
162C96.2Very high92.7Very high0 Ų06.5 Ų6.50%04%0.04CC..Hα-helixtrans-63.1-44.9178.9-71.30000112.4T68 L158 L164 M165 I166T68-C162 HydrophobicContact CG2-CB 4.18Å; L158-C162 WeakPolarHBondContact O-CB 2.94Å; L158-C162 PolarHBondContact O-N 3.49Å; L158-C162 PolarHBondContact O-SG 2.85Å; C162-L164 PolarHBondContact O-N 3.43Å; C162-M165 PolarHBondContact O-N 2.99Å; C162-I166 VanDerWaalsContact O-CG1 3.25Å; C162-I166 WeakPolarHBondContact O-CG1 3.47Å; C162-I166 PolarHBondContact O-N 3.47Å
163A95.4Very high92.4Very high1 Ų16.2 Ų6.21%0.0084%0.038CC..Hα-helixtrans-60.4-46.2179.700000111.7L159 T160 I166 V167 T199 W202L159-A163 VanDerWaalsContact O-CB 3.27Å; L159-A163 WeakPolarHBondContact O-CB 3.34Å; L159-A163 PolarHBondContact O-N 3.02Å; T160-A163 PolarHBondContact O-N 2.95Å; A163-I166 PolarHBondContact O-N 3.34Å; A163-V167 WeakPolarHBondContact O-CG2 3.27Å; A163-V167 PolarHBondContact O-N 3.44Å; A163-V167 VanDerWaalsContact O-N 3.13Å; A163-T199 HydrophobicContact CB-CG2 4.45Å; A163-W202 HydrophobicContact CB-CB 4.19Å
164L95.3Very high91.9Very high4 Ų412.7 Ų12.72%0.0217%0.068CC..Hα-helixtrans-65.9-42.1178.5-67.1171.9000112.1L24 P25 L28 T160 F161 C162 I166 V167 E168 L227 W230L24-L164 HydrophobicContact CB-CD2 4.4Å; L24-L164 HydrophobicContact CD2-CD2 3.96Å; L24-L164 HydrophobicContact CG-CD2 3.94Å; P25-L164 HydrophobicContact CB-CD2 4.38Å; P25-L164 HydrophobicContact CG-CD2 3.74Å; L28-L164 HydrophobicContact CD1-CD1 4.48Å; L28-L164 HydrophobicContact CD1-CD2 4.16Å; L28-L164 HydrophobicContact CD1-CG 4.13Å; T160-L164 HydrophobicContact CG2-CD1 3.88Å; T160-L164 VanDerWaalsContact O-CG 3.3Å; T160-L164 WeakPolarHBondContact O-CG 3.16Å; T160-L164 PolarHBondContact O-N 3.5Å; T160-L164 VanDerWaalsContact O-N 3.13Å; F161-L164 PolarHBondContact O-N 2.84Å; C162-L164 PolarHBondContact O-N 3.43Å; L164-I166 PolarHBondContact O-N 3.04Å; L164-V167 PolarHBondContact O-N 2.97Å; L164-E168 WeakPolarHBondContact O-CG 3.43Å; L164-E168 PolarHBondContact O-N 3.33Å; L164-L227 HydrophobicContact CD1-CD2 3.75Å; L164-W230 HydrophobicContact CB-CB 4.15Å; L164-W230 HydrophobicContact CB-CD2 4.29Å; L164-W230 HydrophobicContact CB-CG 3.73Å; L164-W230 HydrophobicContact CD1-CB 3.93Å; L164-W230 HydrophobicContact CD1-CD2 3.91Å; L164-W230 HydrophobicContact CD1-CE3 4.11Å; L164-W230 HydrophobicContact CD1-CG 3.83Å; L164-W230 HydrophobicContact CG-CG 4.34Å
165M95.2Very high91.4Very high1 Ų113.3 Ų13.31%0.0056%0.064CC..Hα-helixtrans-60.1-43.8176.8-172.1174.1-144.200112.1W65 L72 T96 F161 C162 E168 E169 Y234W65-M165 HydrophobicContact CH2-CE 4.38Å; W65-M165 HydrophobicContact CH2-SD 3.88Å; W65-M165 HydrophobicContact CZ3-SD 3.82Å; L72-M165 HydrophobicContact CD1-CG 4.14Å; L72-M165 HydrophobicContact CD1-SD 4.36Å; T96-M165 WeakPolarHBondContact O-CE 3.28Å; F161-M165 HydrophobicContact CE1-SD 4.31Å; F161-M165 HydrophobicContact CZ-SD 4.43Å; F161-M165 VanDerWaalsContact O-CB 3.32Å; F161-M165 WeakPolarHBondContact O-CB 3.09Å; F161-M165 PolarHBondContact O-N 3.22Å; C162-M165 PolarHBondContact O-N 2.99Å; M165-E168 PolarHBondContact O-N 3.21Å; M165-E169 WeakPolarHBondContact O-CG 3.45Å; M165-E169 PolarHBondContact O-N 3.28Å; M165-Y234 HydrophobicContact CB-CE2 4.47Å; M165-Y234 HydrophobicContact CE-CE2 4.45Å; M165-Y234 HydrophobicContact CG-CE2 4.04Å; M165-Y234 WeakPolarHBondContact CG-OH 3.33Å
166I94.8Very high90.9Very high0 Ų011.4 Ų11.40%06%0.056CC..Hα-helixtrans-62.7-48.3177.8-66.7164000110.5T68 L72 C162 A163 L164 E168 E169 M170 L195 L198 T199T68-I166 HydrophobicContact CG2-CD1 3.98Å; T68-I166 HydrophobicContact CG2-CG1 3.86Å; L72-I166 HydrophobicContact CD1-CG1 4.14Å; L72-I166 HydrophobicContact CD2-CG1 4.43Å; L72-I166 HydrophobicContact CG-CG1 4.36Å; C162-I166 VanDerWaalsContact O-CG1 3.25Å; C162-I166 WeakPolarHBondContact O-CG1 3.47Å; C162-I166 PolarHBondContact O-N 3.47Å; A163-I166 PolarHBondContact O-N 3.34Å; L164-I166 PolarHBondContact O-N 3.04Å; I166-E168 VanDerWaalsContact C-N 3.29Å; I166-E168 PolarHBondContact O-N 3.48Å; I166-E169 PolarHBondContact O-N 2.93Å; I166-M170 HydrophobicContact CG2-CG 4.14Å; I166-M170 HydrophobicContact CG2-SD 3.67Å; I166-M170 WeakPolarHBondContact O-CB 3.31Å; I166-M170 VanDerWaalsContact O-CG 3.23Å; I166-M170 WeakPolarHBondContact O-CG 3.24Å; I166-M170 PolarHBondContact O-N 3.36Å; I166-L195 HydrophobicContact CG1-CD2 4.25Å; I166-L195 HydrophobicContact CG2-CB 4Å; I166-L195 HydrophobicContact CG2-CD2 3.97Å; I166-L195 HydrophobicContact CG2-CG 4.49Å; I166-L198 HydrophobicContact CD1-CD2 4.02Å; I166-L198 HydrophobicContact CD1-CG 4.37Å; I166-T199 WeakPolarHBondContact CG2-OG1 3.29Å
167V92.7Very high89.9Confident5 Ų519.7 Ų19.73%0.039%0.092CC..Hα-helixtrans-61.1-38.3179.5173.20000112L15 R21 L24 A163 L164 T199L15-V167 HydrophobicContact CD2-CG2 3.64Å; R21-V167 HydrophobicContact CB-CG1 4.07Å; R21-V167 HydrophobicContact CG-CG1 4.33Å; L24-V167 HydrophobicContact CD2-CB 4.12Å; L24-V167 HydrophobicContact CD2-CG1 4.37Å; L24-V167 HydrophobicContact CD2-CG2 3.47Å; L24-V167 VanDerWaalsContact CD2-CG2 3.47Å; A163-V167 WeakPolarHBondContact O-CG2 3.27Å; A163-V167 PolarHBondContact O-N 3.44Å; A163-V167 VanDerWaalsContact O-N 3.13Å; L164-V167 PolarHBondContact O-N 2.97Å; V167-T199 HydrophobicContact CG2-CG2 4.1Å
168E92.7Very high88.4Confident17 Ų1722.7 Ų22.78%0.07911%0.11CC..Hα-helixtrans-63.1-53.6174.5-75.4-66165.400112.1R21 L164 M165 I166 M170 S171 W230 Y234 P247R21-E168 VanDerWaalsContact CD-CD 3.47Å; R21-E168 WeakPolarHBondContact CD-OE1 3.38Å; R21-E168 VanDerWaalsContact CD-OE2 3.27Å; R21-E168 WeakPolarHBondContact CD-OE2 3.4Å; R21-E168 WeakPolarHBondContact CG-OE1 3.32Å; R21-E168 IonicContact NH1-OE2 2.85Å; L164-E168 WeakPolarHBondContact O-CG 3.43Å; L164-E168 PolarHBondContact O-N 3.33Å; M165-E168 PolarHBondContact O-N 3.21Å; I166-E168 VanDerWaalsContact C-N 3.29Å; I166-E168 PolarHBondContact O-N 3.48Å; E168-M170 VanDerWaalsContact C-N 3.27Å; E168-M170 PolarHBondContact O-N 2.88Å; E168-S171 VanDerWaalsContact O-CB 3.24Å; E168-S171 WeakPolarHBondContact O-CB 3.33Å; E168-S171 PolarHBondContact O-N 3.41Å; E168-S171 PolarHBondContact O-OG 2.96Å; E168-W230 VanDerWaalsContact CG-NE1 3.27Å; E168-W230 PolarHBondContact OE1-NE1 3.47Å; E168-Y234 HydrophobicContact CB-CD1 3.57Å; E168-Y234 HydrophobicContact CB-CD2 4.44Å; E168-Y234 HydrophobicContact CB-CE1 3.5Å; E168-Y234 HydrophobicContact CB-CE2 4.39Å; E168-Y234 HydrophobicContact CB-CG 4.07Å; E168-Y234 HydrophobicContact CG-CD1 3.71Å; E168-Y234 HydrophobicContact CG-CD2 4.18Å; E168-Y234 HydrophobicContact CG-CE1 4.14Å; E168-Y234 HydrophobicContact CG-CG 3.74Å; E168-P247 WeakPolarHBondContact O-CG 3.48Å
169E92.8Very high86.7Confident2 Ų229.4 Ų29.41%0.00915%0.146CC..Hα-helixtrans-64.3-32.3-177.8-68.4-62.4151.300112.2L72 I76 R93 M165 I166 S171 V172 Y234L72-E169 HydrophobicContact CD2-CB 3.91Å; L72-E169 HydrophobicContact CD2-CG 4.36Å; I76-E169 HydrophobicContact CD1-CG 4.06Å; I76-E169 HydrophobicContact CG1-CG 4.48Å; R93-E169 VanDerWaalsContact NH2-CD 3.35Å; R93-E169 IonicContact NH2-OE1 3.64Å; R93-E169 PolarHBondContact NH2-OE1 3.21Å; R93-E169 IonicContact NH2-OE2 2.99Å; R93-E169 PolarHBondContact NH2-OE2 3.22Å; M165-E169 WeakPolarHBondContact O-CG 3.45Å; M165-E169 PolarHBondContact O-N 3.28Å; I166-E169 PolarHBondContact O-N 2.93Å; E169-S171 PolarHBondContact O-N 2.9Å; E169-S171 VanDerWaalsContact O-N 3.16Å; E169-V172 WeakPolarHBondContact O-CG1 3.43Å; E169-V172 PolarHBondContact O-N 2.89Å; E169-Y234 WeakPolarHBondContact CG-OH 3.2Å; E169-Y234 VanDerWaalsContact OE1-CE1 3.29Å; E169-Y234 WeakPolarHBondContact OE1-CE1 3.48Å; E169-Y234 PolarHBondContact OE1-OH 2.88Å
170M89.9Confident85.3Confident0 Ų039.4 Ų39.40%018%0.184CC..G310 helixtrans-64.3-15.3174.7-74.2-179.777.300113.8L15 F75 I166 E168 V172 L173 V192 L195L15-M170 HydrophobicContact CB-CE 4.4Å; F75-M170 HydrophobicContact CZ-CG 4.48Å; I166-M170 HydrophobicContact CG2-CG 4.14Å; I166-M170 HydrophobicContact CG2-SD 3.67Å; I166-M170 WeakPolarHBondContact O-CB 3.31Å; I166-M170 VanDerWaalsContact O-CG 3.23Å; I166-M170 WeakPolarHBondContact O-CG 3.24Å; I166-M170 PolarHBondContact O-N 3.36Å; E168-M170 VanDerWaalsContact C-N 3.27Å; E168-M170 PolarHBondContact O-N 2.88Å; M170-V172 PolarHBondContact O-N 3.46Å; M170-V172 VanDerWaalsContact O-N 3.16Å; M170-L173 WeakPolarHBondContact O-CB 3.45Å; M170-L173 PolarHBondContact O-N 3.31Å; M170-L173 VanDerWaalsContact O-N 3.1Å; M170-V192 HydrophobicContact CE-CG1 4Å; M170-L195 HydrophobicContact CG-CD1 4.41Å; M170-L195 HydrophobicContact SD-CB 4.02Å
171S88Confident84.2Confident11 Ų1142.9 Ų42.98%0.07721%0.208CC..G310 helixtrans-63.5-19.9179.468.10000114.3R21 E168 E169 L173 H174 Q249R21-S171 PolarHBondContact NH1-OG 2.9Å; E168-S171 VanDerWaalsContact O-CB 3.24Å; E168-S171 WeakPolarHBondContact O-CB 3.33Å; E168-S171 PolarHBondContact O-N 3.41Å; E168-S171 PolarHBondContact O-OG 2.96Å; E169-S171 PolarHBondContact O-N 2.9Å; E169-S171 VanDerWaalsContact O-N 3.16Å; S171-L173 PolarHBondContact O-N 3.48Å; S171-L173 VanDerWaalsContact O-N 3.12Å; S171-H174 PolarHBondContact O-N 2.94Å; S171-Q249 PolarHBondContact OG-NE2 3.19Å
172V88.1Confident83.3Confident1 Ų148.9 Ų48.91%0.00624%0.236CC..G310 helixtrans-58.4-23.4173.471.10000112.7F75 T79 L83 E169 M170 H174 E175 V176 P247 P248F75-V172 HydrophobicContact CE1-CG1 3.91Å; F75-V172 HydrophobicContact CZ-CG1 3.7Å; T79-V172 HydrophobicContact CG2-CG1 4.07Å; L83-V172 HydrophobicContact CD1-CG2 3.44Å; L83-V172 VanDerWaalsContact CD1-CG2 3.44Å; E169-V172 WeakPolarHBondContact O-CG1 3.43Å; E169-V172 PolarHBondContact O-N 2.89Å; M170-V172 PolarHBondContact O-N 3.46Å; M170-V172 VanDerWaalsContact O-N 3.16Å; V172-H174 PolarHBondContact O-N 3.07Å; V172-H174 VanDerWaalsContact O-N 3.12Å; V172-E175 PolarHBondContact O-N 3.44Å; V172-V176 HydrophobicContact CG2-CG2 4.41Å; V172-V176 PolarHBondContact O-N 2.96Å; V172-P247 HydrophobicContact CB-CB 4.31Å; V172-P248 HydrophobicContact CG2-CB 4.44Å; V172-P248 HydrophobicContact CG2-CG 4.2Å
173L84.1Confident82.8Confident1 Ų153.7 Ų53.71%0.00527%0.268CS..G310 helixtrans-64.3-19.6-174.9-164.456.1000113.3R12 V16 M170 S171 E175 V176 V192R12-L173 HydrophobicContact CG-CD2 3.44Å; R12-L173 VanDerWaalsContact CG-CD2 3.44Å; R12-L173 HydrophobicContact CG-CG 4.03Å; R12-L173 VanDerWaalsContact CZ-CG 3.42Å; R12-L173 PolarHBondContact NH1-O 3.44Å; V16-L173 HydrophobicContact CG1-CB 4.35Å; V16-L173 HydrophobicContact CG2-CB 4.17Å; V16-L173 HydrophobicContact CG2-CD2 3.96Å; M170-L173 WeakPolarHBondContact O-CB 3.45Å; M170-L173 PolarHBondContact O-N 3.31Å; M170-L173 VanDerWaalsContact O-N 3.1Å; S171-L173 PolarHBondContact O-N 3.48Å; S171-L173 VanDerWaalsContact O-N 3.12Å; L173-E175 VanDerWaalsContact C-N 3.27Å; L173-E175 PolarHBondContact O-N 2.9Å; L173-V176 HydrophobicContact CD1-CB 4.44Å; L173-V192 HydrophobicContact CD1-CG2 4.18Å; L173-V192 HydrophobicContact CD2-CB 4.43Å; L173-V192 HydrophobicContact CD2-CG1 3.8Å; L173-V192 HydrophobicContact CD2-CG2 3.71Å
174H79Confident82.3Confident136 Ų13655.8 Ų55.863%0.6328%0.279SS*.G310 helixtrans-66.1-30172.8-168.2-84.9000112.7S171 V172S171-H174 PolarHBondContact O-N 2.94Å; V172-H174 PolarHBondContact O-N 3.07Å; V172-H174 VanDerWaalsContact O-N 3.12Å
175E77.8Confident81.8Confident38 Ų3857.8 Ų57.818%0.17829%0.288CS..THydrogen-bonded Turntrans-95.1-20.8-176.3-56.9-55133.200112.8L83 V172 L173 K177 P248 S250L83-E175 HydrophobicContact CD1-CB 4.23Å; L83-E175 HydrophobicContact CD2-CB 4.32Å; V172-E175 PolarHBondContact O-N 3.44Å; L173-E175 VanDerWaalsContact C-N 3.27Å; L173-E175 PolarHBondContact O-N 2.9Å; E175-K177 PolarHBondContact O-N 3.38Å; E175-P248 WeakPolarHBondContact CG-O 3.3Å; E175-S250 VanDerWaalsContact CD-CB 3.5Å; E175-S250 WeakPolarHBondContact OE1-CA 3.48Å; E175-S250 WeakPolarHBondContact OE1-CB 3.34Å; E175-S250 PolarHBondContact OE1-N 3.04Å; E175-S250 PolarHBondContact OE1-OG 3.41Å; E175-S250 WeakPolarHBondContact OE2-CA 3.5Å; E175-S250 VanDerWaalsContact OE2-CB 3.29Å; E175-S250 WeakPolarHBondContact OE2-CB 3.23Å; E175-S250 PolarHBondContact OE2-N 3.35Å
176V78.4Confident81.4Confident8 Ų860.3 Ų60.35%0.04830%0.304CS..  trans-7494.8178.7-179.30000109.1T79 L83 V172 L173 T178T79-V176 HydrophobicContact CG2-CG2 4.4Å; L83-V176 HydrophobicContact CD1-CG2 4.16Å; L83-V176 HydrophobicContact CD2-CG2 4.33Å; L83-V176 HydrophobicContact CG-CG2 4.27Å; V172-V176 HydrophobicContact CG2-CG2 4.41Å; V172-V176 PolarHBondContact O-N 2.96Å; L173-V176 HydrophobicContact CD1-CB 4.44Å; V176-T178 PolarHBondContact O-N 3.45Å
177K70.7Confident81.2Confident176 Ų17662.2 Ų62.277%0.76532%0.319SS*.  trans-74.1115.4166.3-68.1-174.3-177.9-1790109.2E175 D179E175-K177 PolarHBondContact O-N 3.38Å; K177-D179 VanDerWaalsContact C-N 3.28Å; K177-D179 PolarHBondContact O-N 2.74Å
178T63.2Low81.1Confident63 Ų6362.3 Ų62.339%0.38732%0.32SS..  trans-82.664.2-175.4-49.20000111.9R12 V176 H185R12-T178 PolarHBondContact NH2-OG1 2.95Å; V176-T178 PolarHBondContact O-N 3.45Å; T178-H185 HydrophobicContact CG2-CB 3.8Å; T178-H185 WeakPolarHBondContact CG2-CD2 3.35Å; T178-H185 VanDerWaalsContact CG2-NE2 3.31Å; T178-H185 WeakPolarHBondContact CG2-NE2 3.43Å
179D59.6Low80.8Confident152 Ų15261.6 Ų61.681%0.81332%0.317SS*.  trans-11611.9-173.8-162.632.7000113.8K177K177-D179 VanDerWaalsContact C-N 3.28Å; K177-D179 PolarHBondContact O-N 2.74Å
180R65.4Low80.7Confident211 Ų21165 Ų6580%0.79634%0.337SS*.SBendtrans-145.7138.5-176.3-148.4166.8173.6157.7-2.4112.9
181S71.8Confident80.9Confident73 Ų7366.1 Ų66.151%0.5134%0.343SS..  trans54.1109.8176.5174.70000115.7C183 L184 H185S181-C183 PolarHBondContact O-N 2.75Å; S181-C183 VanDerWaalsContact O-N 3.17Å; S181-L184 PolarHBondContact O-N 3.45Å; S181-L184 PolarHBondContact OG-N 2.95Å; S181-H185 PolarHBondContact O-N 2.82Å; S181-H185 VanDerWaalsContact O-N 3.11Å
182H79.1Confident81Confident127 Ų12765.6 Ų65.659%0.58834%0.34SS*.Hα-helixtrans-56-34.6178.4-161.5-79.7000113.2T186H182-T186 WeakPolarHBondContact O-CB 3.48Å; H182-T186 PolarHBondContact O-N 3.34Å; H182-T186 VanDerWaalsContact O-N 3.11Å; H182-T186 PolarHBondContact O-OG1 3.12Å
183C85.2Confident81.1Confident100 Ų10066.5 Ų66.568%0.67635%0.345SS*.Hα-helixtrans-70.3-45179.4-175.50000112.1S181 T186 A187S181-C183 PolarHBondContact O-N 2.75Å; S181-C183 VanDerWaalsContact O-N 3.17Å; C183-T186 PolarHBondContact O-N 3.24Å; C183-A187 WeakPolarHBondContact O-CB 3.39Å; C183-A187 PolarHBondContact O-N 2.89Å
184L85.3Confident81.5Confident46 Ų4668 Ų6824%0.24136%0.357CS..Hα-helixtrans-65.5-42.7179.5-178.766.3000111.2L78 H82 S181 A187 I188L78-L184 HydrophobicContact CD2-CD1 4.09Å; H82-L184 WeakPolarHBondContact CD2-CD2 3.39Å; S181-L184 PolarHBondContact O-N 3.45Å; S181-L184 PolarHBondContact OG-N 2.95Å; L184-A187 PolarHBondContact O-N 3.05Å; L184-I188 HydrophobicContact CD1-CD1 4.11Å; L184-I188 HydrophobicContact CD1-CG1 4.38Å; L184-I188 HydrophobicContact CG-CD1 3.98Å; L184-I188 WeakPolarHBondContact O-CG1 3.16Å; L184-I188 PolarHBondContact O-N 3.12Å
185H84.5Confident82.2Confident46 Ų4661.5 Ų61.521%0.21333%0.327CS..Hα-helixtrans-55.9-53.3173.9175.1-138.8000110.9E8 T178 S181 A187 I188 T189E8-H185 IonicContact OE2-NE2 3.17Å; T178-H185 HydrophobicContact CG2-CB 3.8Å; T178-H185 WeakPolarHBondContact CG2-CD2 3.35Å; T178-H185 VanDerWaalsContact CG2-NE2 3.31Å; T178-H185 WeakPolarHBondContact CG2-NE2 3.43Å; S181-H185 PolarHBondContact O-N 2.82Å; S181-H185 VanDerWaalsContact O-N 3.11Å; H185-A187 VanDerWaalsContact C-N 3.27Å; H185-A187 PolarHBondContact O-N 3.19Å; H185-I188 PolarHBondContact O-N 3.38Å; H185-T189 PolarHBondContact CD2-OG1 3.33Å; H185-T189 VanDerWaalsContact CD2-OG1 3.23Å; H185-T189 PolarHBondContact NE2-OG1 3.22Å; H185-T189 WeakPolarHBondContact O-CB 3.31Å; H185-T189 PolarHBondContact O-N 2.97Å; H185-T189 PolarHBondContact O-OG1 2.91Å; H185-T189 VanDerWaalsContact O-OG1 3.04Å
186T87.1Confident82.9Confident54 Ų5459.9 Ų59.933%0.33132%0.321SS..Hα-helixtrans-56.9-41.5-179.6-54.90000111.7H182 C183 T190H182-T186 WeakPolarHBondContact O-CB 3.48Å; H182-T186 PolarHBondContact O-N 3.34Å; H182-T186 VanDerWaalsContact O-N 3.11Å; H182-T186 PolarHBondContact O-OG1 3.12Å; C183-T186 PolarHBondContact O-N 3.24Å; T186-T190 WeakPolarHBondContact O-CB 3.27Å; T186-T190 PolarHBondContact O-N 3.19Å; T186-T190 PolarHBondContact O-OG1 3.22Å
187A90.8Very high83.5Confident39 Ų3964 Ų6432%0.32234%0.342SS..Hα-helixtrans-64.6-48.2178.100000112.7C183 L184 H185 T190 L191C183-A187 WeakPolarHBondContact O-CB 3.39Å; C183-A187 PolarHBondContact O-N 2.89Å; L184-A187 PolarHBondContact O-N 3.05Å; H185-A187 VanDerWaalsContact C-N 3.27Å; H185-A187 PolarHBondContact O-N 3.19Å; A187-T190 PolarHBondContact O-N 3.15Å; A187-L191 WeakPolarHBondContact O-CG 3.31Å; A187-L191 PolarHBondContact O-N 3.16Å
188I88.9Confident84.6Confident8 Ų856.1 Ų56.14%0.04131%0.308CS..Hα-helixtrans-63.2-45.4177.9-67.7172.9000110.3L78 T79 L184 H185 T190 L191 V192L78-I188 HydrophobicContact CB-CG1 4.39Å; T79-I188 HydrophobicContact CG2-CG2 4.36Å; L184-I188 HydrophobicContact CD1-CD1 4.11Å; L184-I188 HydrophobicContact CD1-CG1 4.38Å; L184-I188 HydrophobicContact CG-CD1 3.98Å; L184-I188 WeakPolarHBondContact O-CG1 3.16Å; L184-I188 PolarHBondContact O-N 3.12Å; H185-I188 PolarHBondContact O-N 3.38Å; I188-T190 VanDerWaalsContact C-N 3.33Å; I188-T190 PolarHBondContact O-N 3.23Å; I188-L191 WeakPolarHBondContact O-CB 3.35Å; I188-L191 PolarHBondContact O-N 3.46Å; I188-V192 HydrophobicContact CG2-CG2 4.32Å; I188-V192 VanDerWaalsContact O-CG2 3.31Å; I188-V192 WeakPolarHBondContact O-CG2 3.16Å; I188-V192 PolarHBondContact O-N 3.3Å
189T87.8Confident86Confident2 Ų253.4 Ų53.41%0.01229%0.291CS..Hα-helixtrans-59.1-44.5177.4-63.50000111.6L4 E8 H185 L191 V192 V193L4-T189 HydrophobicContact CD1-CG2 4.45Å; L4-T189 HydrophobicContact CD2-CG2 3.8Å; L4-T189 HydrophobicContact CG-CG2 3.74Å; E8-T189 HydrophobicContact CB-CG2 3.86Å; E8-T189 VanDerWaalsContact CD-OG1 3.3Å; E8-T189 HydrophobicContact CG-CG2 3.96Å; E8-T189 WeakPolarHBondContact OE2-CB 3.5Å; E8-T189 WeakPolarHBondContact OE2-CG2 3.36Å; E8-T189 PolarHBondContact OE2-OG1 3.35Å; H185-T189 PolarHBondContact CD2-OG1 3.33Å; H185-T189 VanDerWaalsContact CD2-OG1 3.23Å; H185-T189 PolarHBondContact NE2-OG1 3.22Å; H185-T189 WeakPolarHBondContact O-CB 3.31Å; H185-T189 PolarHBondContact O-N 2.97Å; H185-T189 PolarHBondContact O-OG1 2.91Å; H185-T189 VanDerWaalsContact O-OG1 3.04Å; T189-L191 VanDerWaalsContact C-N 3.32Å; T189-L191 PolarHBondContact O-N 3.1Å; T189-V192 PolarHBondContact O-N 3.42Å; T189-V193 WeakPolarHBondContact O-CG2 3.39Å; T189-V193 PolarHBondContact O-N 2.88Å
190T90.5Very high87.5Confident72 Ų7252.8 Ų52.844%0.44228%0.282SS..Hα-helixtrans-60.7-43.2177.5-59.10000111.2T186 A187 I188 V193 A194T186-T190 WeakPolarHBondContact O-CB 3.27Å; T186-T190 PolarHBondContact O-N 3.19Å; T186-T190 PolarHBondContact O-OG1 3.22Å; A187-T190 PolarHBondContact O-N 3.15Å; I188-T190 VanDerWaalsContact C-N 3.33Å; I188-T190 PolarHBondContact O-N 3.23Å; T190-V193 PolarHBondContact O-N 3.46Å; T190-A194 WeakPolarHBondContact O-CB 3.19Å; T190-A194 PolarHBondContact O-N 3.38Å
191L93.2Very high88.8Confident24 Ų2444.4 Ų44.413%0.12625%0.252CS..Hα-helixtrans-64.1-40.7175.8-73.9166.5000112.4P74 F75 L78 A187 I188 T189 A194 L195P74-L191 HydrophobicContact CB-CD1 4.25Å; P74-L191 HydrophobicContact CB-CD2 4.48Å; P74-L191 HydrophobicContact CG-CD1 4.47Å; P74-L191 HydrophobicContact CG-CD2 3.87Å; F75-L191 HydrophobicContact CB-CB 4.46Å; F75-L191 HydrophobicContact CB-CD1 4.34Å; F75-L191 HydrophobicContact CD2-CB 4.18Å; L78-L191 HydrophobicContact CD1-CD1 3.77Å; A187-L191 WeakPolarHBondContact O-CG 3.31Å; A187-L191 PolarHBondContact O-N 3.16Å; I188-L191 WeakPolarHBondContact O-CB 3.35Å; I188-L191 PolarHBondContact O-N 3.46Å; T189-L191 VanDerWaalsContact C-N 3.32Å; T189-L191 PolarHBondContact O-N 3.1Å; L191-A194 PolarHBondContact O-N 3.09Å; L191-L195 WeakPolarHBondContact O-CB 3.28Å; L191-L195 VanDerWaalsContact O-CG 3.32Å; L191-L195 WeakPolarHBondContact O-CG 3.45Å; L191-L195 PolarHBondContact O-N 3.17Å
192V90.4Very high89.8Confident0 Ų041 Ų410%023%0.228CC..Hα-helixtrans-61.7-45.5176.4167.40000110.9F75 M170 L173 I188 T189 L195 G196F75-V192 HydrophobicContact CD2-CG2 4.47Å; F75-V192 HydrophobicContact CE2-CG2 3.77Å; M170-V192 HydrophobicContact CE-CG1 4Å; L173-V192 HydrophobicContact CD1-CG2 4.18Å; L173-V192 HydrophobicContact CD2-CB 4.43Å; L173-V192 HydrophobicContact CD2-CG1 3.8Å; L173-V192 HydrophobicContact CD2-CG2 3.71Å; I188-V192 HydrophobicContact CG2-CG2 4.32Å; I188-V192 VanDerWaalsContact O-CG2 3.31Å; I188-V192 WeakPolarHBondContact O-CG2 3.16Å; I188-V192 PolarHBondContact O-N 3.3Å; T189-V192 PolarHBondContact O-N 3.42Å; V192-L195 PolarHBondContact O-N 3.32Å; V192-G196 PolarHBondContact O-N 2.9Å
193V90Very high90.4Very high21 Ų2137 Ų3713%0.12721%0.212CC..Hα-helixtrans-62.6-45.7176.5175.20000110.8L4 C7 L11 T189 T190 L195 G196 I197L4-V193 HydrophobicContact CD1-CB 4.46Å; L4-V193 HydrophobicContact CD1-CG2 3.93Å; C7-V193 HydrophobicContact CB-CG2 4.32Å; L11-V193 HydrophobicContact CD1-CB 4.19Å; L11-V193 HydrophobicContact CD1-CG1 4.45Å; L11-V193 HydrophobicContact CD1-CG2 3.89Å; T189-V193 WeakPolarHBondContact O-CG2 3.39Å; T189-V193 PolarHBondContact O-N 2.88Å; T190-V193 PolarHBondContact O-N 3.46Å; V193-L195 PolarHBondContact O-N 3.46Å; V193-G196 PolarHBondContact O-N 2.85Å; V193-I197 HydrophobicContact CG1-CD1 3.91Å; V193-I197 WeakPolarHBondContact O-CG1 3.29Å; V193-I197 PolarHBondContact O-N 3.47Å
194A92.9Very high90.7Very high31 Ų3135.7 Ų35.726%0.25620%0.198SC..Hα-helixtrans-61.5-44.4177.900000112.5L71 T190 L191 I197 L198L71-A194 HydrophobicContact CD1-CB 3.94Å; L71-A194 HydrophobicContact CD2-CB 4.2Å; T190-A194 WeakPolarHBondContact O-CB 3.19Å; T190-A194 PolarHBondContact O-N 3.38Å; L191-A194 PolarHBondContact O-N 3.09Å; A194-I197 PolarHBondContact O-N 3.48Å; A194-L198 WeakPolarHBondContact O-CB 3.22Å; A194-L198 PolarHBondContact O-N 3.45Å
195L93.8Very high90.9Very high0 Ų033.7 Ų33.70%019%0.188CC..Hα-helixtrans-65.2-37176.3-75.7169000112.4L71 L72 F75 I166 M170 L191 V192 V193 L198 T199L71-L195 HydrophobicContact CB-CD2 3.54Å; L71-L195 HydrophobicContact CB-CG 4.1Å; L71-L195 HydrophobicContact CD1-CD2 4.27Å; L72-L195 HydrophobicContact CD2-CD1 4.1Å; L72-L195 HydrophobicContact CD2-CD2 3.81Å; L72-L195 HydrophobicContact CG-CD2 4.05Å; F75-L195 HydrophobicContact CB-CD1 3.9Å; F75-L195 HydrophobicContact CD1-CD1 3.84Å; F75-L195 HydrophobicContact CD2-CD1 3.88Å; F75-L195 HydrophobicContact CE1-CD1 4.35Å; F75-L195 HydrophobicContact CE2-CD1 4.38Å; F75-L195 HydrophobicContact CG-CD1 3.58Å; I166-L195 HydrophobicContact CG1-CD2 4.25Å; I166-L195 HydrophobicContact CG2-CB 4Å; I166-L195 HydrophobicContact CG2-CD2 3.97Å; I166-L195 HydrophobicContact CG2-CG 4.49Å; M170-L195 HydrophobicContact CG-CD1 4.41Å; M170-L195 HydrophobicContact SD-CB 4.02Å; L191-L195 WeakPolarHBondContact O-CB 3.28Å; L191-L195 VanDerWaalsContact O-CG 3.32Å; L191-L195 WeakPolarHBondContact O-CG 3.45Å; L191-L195 PolarHBondContact O-N 3.17Å; V192-L195 PolarHBondContact O-N 3.32Å; V193-L195 PolarHBondContact O-N 3.46Å; L195-L198 PolarHBondContact O-N 3.04Å; L195-T199 WeakPolarHBondContact O-CB 3.23Å; L195-T199 PolarHBondContact O-N 3.15Å; L195-T199 PolarHBondContact O-OG1 2.9Å
196G91.6Very high91.2Very high4 Ų431.6 Ų31.64%0.04118%0.178CC..Hα-helixtrans-63.5-47.4174.100000112.5V192 V193 L198 T199 F200V192-G196 PolarHBondContact O-N 2.9Å; V193-G196 PolarHBondContact O-N 2.85Å; G196-L198 VanDerWaalsContact C-N 3.33Å; G196-L198 PolarHBondContact O-N 2.94Å; G196-T199 PolarHBondContact O-N 2.94Å; G196-F200 PolarHBondContact O-N 2.86Å
197I91.7Very high91.4Very high95 Ų9532.3 Ų32.349%0.48718%0.18SC..Hα-helixtrans-60.5-44.9174.4-67.7167.1000110.4V193 A194 T199 F200 I201V193-I197 HydrophobicContact CG1-CD1 3.91Å; V193-I197 WeakPolarHBondContact O-CG1 3.29Å; V193-I197 PolarHBondContact O-N 3.47Å; A194-I197 PolarHBondContact O-N 3.48Å; I197-T199 VanDerWaalsContact C-N 3.34Å; I197-T199 PolarHBondContact O-N 3.13Å; I197-F200 WeakPolarHBondContact O-CB 3.42Å; I197-F200 PolarHBondContact O-N 3.18Å; I197-I201 HydrophobicContact CG2-CD1 3.93Å; I197-I201 HydrophobicContact CG2-CG1 4.5Å; I197-I201 WeakPolarHBondContact O-CG1 3.47Å; I197-I201 PolarHBondContact O-N 3.35Å
198L93.2Very high91.2Very high10 Ų1031 Ų315%0.05217%0.168CC..Hα-helixtrans-61.9-42.9179.5-169.965.9000111.6W67 L71 I166 A194 L195 G196 F200 I201 W202W67-L198 HydrophobicContact CB-CD1 4.12Å; W67-L198 HydrophobicContact CB-CD2 4.21Å; L71-L198 HydrophobicContact CD1-CB 4.18Å; L71-L198 HydrophobicContact CD1-CD2 3.79Å; L71-L198 HydrophobicContact CD1-CG 4.49Å; I166-L198 HydrophobicContact CD1-CD2 4.02Å; I166-L198 HydrophobicContact CD1-CG 4.37Å; A194-L198 WeakPolarHBondContact O-CB 3.22Å; A194-L198 PolarHBondContact O-N 3.45Å; L195-L198 PolarHBondContact O-N 3.04Å; G196-L198 VanDerWaalsContact C-N 3.33Å; G196-L198 PolarHBondContact O-N 2.94Å; L198-F200 VanDerWaalsContact C-N 3.34Å; L198-F200 PolarHBondContact O-N 3.38Å; L198-I201 PolarHBondContact O-N 3.12Å; L198-W202 HydrophobicContact CD1-CD2 4.47Å; L198-W202 HydrophobicContact CD1-CH2 3.93Å; L198-W202 HydrophobicContact CD1-CZ2 3.37Å; L198-W202 HydrophobicContact CD2-CZ2 4.08Å; L198-W202 HydrophobicContact CG-CZ2 3.79Å; L198-W202 VanDerWaalsContact O-CG 3.28Å; L198-W202 PolarHBondContact O-N 3.26Å
199T93.1Very high91Very high6 Ų630.6 Ų30.64%0.03717%0.166CC..Hα-helixtrans-61.6-42.9175.7-55.80000111.4L15 A163 I166 V167 L195 G196 I197 I201 W202 V203L15-T199 HydrophobicContact CD2-CG2 4.02Å; A163-T199 HydrophobicContact CB-CG2 4.45Å; I166-T199 WeakPolarHBondContact CG2-OG1 3.29Å; V167-T199 HydrophobicContact CG2-CG2 4.1Å; L195-T199 WeakPolarHBondContact O-CB 3.23Å; L195-T199 PolarHBondContact O-N 3.15Å; L195-T199 PolarHBondContact O-OG1 2.9Å; G196-T199 PolarHBondContact O-N 2.94Å; I197-T199 VanDerWaalsContact C-N 3.34Å; I197-T199 PolarHBondContact O-N 3.13Å; T199-I201 VanDerWaalsContact C-N 3.34Å; T199-I201 PolarHBondContact O-N 3.43Å; T199-W202 PolarHBondContact O-N 3.28Å; T199-V203 WeakPolarHBondContact O-CG2 3.31Å; T199-V203 PolarHBondContact O-N 2.86Å
200F91.7Very high91Very high140 Ų14030.6 Ų30.661%0.61417%0.166SC*.Hα-helixtrans-59.9-44.4175.2175.9-99.4000111.7G196 I197 L198 W202 V203 L204G196-F200 PolarHBondContact O-N 2.86Å; I197-F200 WeakPolarHBondContact O-CB 3.42Å; I197-F200 PolarHBondContact O-N 3.18Å; L198-F200 VanDerWaalsContact C-N 3.34Å; L198-F200 PolarHBondContact O-N 3.38Å; F200-W202 VanDerWaalsContact C-N 3.32Å; F200-W202 PolarHBondContact O-N 2.9Å; F200-V203 PolarHBondContact O-N 3.38Å; F200-L204 HydrophobicContact CE1-CD2 4.43Å; F200-L204 WeakPolarHBondContact O-CB 3.22Å; F200-L204 PolarHBondContact O-N 2.89Å
201I91.4Very high90.8Very high35 Ų3528.3 Ų28.318%0.17915%0.152CC..Hα-helixtrans-60-42.8175.3-67.8167.9000110.8F60 I197 L198 T199 L204 M205F60-I201 HydrophobicContact CD1-CD1 4.43Å; F60-I201 HydrophobicContact CD1-CG2 4.06Å; F60-I201 HydrophobicContact CE1-CD1 4.02Å; I197-I201 HydrophobicContact CG2-CD1 3.93Å; I197-I201 HydrophobicContact CG2-CG1 4.5Å; I197-I201 WeakPolarHBondContact O-CG1 3.47Å; I197-I201 PolarHBondContact O-N 3.35Å; L198-I201 PolarHBondContact O-N 3.12Å; T199-I201 VanDerWaalsContact C-N 3.34Å; T199-I201 PolarHBondContact O-N 3.43Å; I201-L204 PolarHBondContact O-N 2.92Å; I201-M205 HydrophobicContact CG2-CG 4.24Å; I201-M205 WeakPolarHBondContact O-CB 3.46Å; I201-M205 WeakPolarHBondContact O-CG 3.21Å; I201-M205 PolarHBondContact O-N 2.89Å
202W93.5Very high90Very high1 Ų129.4 Ų29.40%0.00415%0.154CC..Hα-helixtrans-62.6-44.5177.1-62154000113.3F60 A64 W67 T68 L159 A163 L198 T199 F200 M205 F206F60-W202 HydrophobicContact CB-CH2 4.36Å; F60-W202 HydrophobicContact CB-CZ3 4.01Å; F60-W202 HydrophobicContact CD1-CH2 4.45Å; F60-W202 VanDerWaalsContact O-CH2 3.29Å; F60-W202 WeakPolarHBondContact O-CH2 3.29Å; F60-W202 WeakPolarHBondContact O-CZ3 3.48Å; A64-W202 HydrophobicContact CB-CE3 4.3Å; A64-W202 HydrophobicContact CB-CH2 3.44Å; A64-W202 VanDerWaalsContact CB-CH2 3.44Å; A64-W202 HydrophobicContact CB-CZ2 3.71Å; A64-W202 HydrophobicContact CB-CZ3 3.72Å; A64-W202 WeakPolarHBondContact O-CZ2 3.38Å; W67-W202 HydrophobicContact CB-CH2 4.39Å; W67-W202 HydrophobicContact CB-CZ2 4.06Å; T68-W202 PolarHBondContact OG1-NE1 3.32Å; L159-W202 HydrophobicContact CD2-CB 4.33Å; L159-W202 HydrophobicContact CD2-CD2 3.89Å; L159-W202 HydrophobicContact CD2-CE3 3.31Å; L159-W202 HydrophobicContact CD2-CG 4.33Å; L159-W202 HydrophobicContact CD2-CZ3 3.94Å; A163-W202 HydrophobicContact CB-CB 4.19Å; L198-W202 HydrophobicContact CD1-CD2 4.47Å; L198-W202 HydrophobicContact CD1-CH2 3.93Å; L198-W202 HydrophobicContact CD1-CZ2 3.37Å; L198-W202 HydrophobicContact CD2-CZ2 4.08Å; L198-W202 HydrophobicContact CG-CZ2 3.79Å; L198-W202 VanDerWaalsContact O-CG 3.28Å; L198-W202 PolarHBondContact O-N 3.26Å; T199-W202 PolarHBondContact O-N 3.28Å; F200-W202 VanDerWaalsContact C-N 3.32Å; F200-W202 PolarHBondContact O-N 2.9Å; W202-M205 PolarHBondContact O-N 3.44Å; W202-F206 VanDerWaalsContact O-CB 3.22Å; W202-F206 WeakPolarHBondContact O-CB 3.41Å; W202-F206 PolarHBondContact O-N 2.94Å
203V92.5Very high89.4Confident42 Ų4230.2 Ų30.226%0.25516%0.158SC..Hα-helixtrans-63.1-44.6175.7174.60000110.5T199 F200 F206 L207T199-V203 WeakPolarHBondContact O-CG2 3.31Å; T199-V203 PolarHBondContact O-N 2.86Å; F200-V203 PolarHBondContact O-N 3.38Å; V203-F206 WeakPolarHBondContact O-CB 3.44Å; V203-F206 PolarHBondContact O-N 3.08Å; V203-L207 HydrophobicContact CG1-CD1 4.29Å; V203-L207 VanDerWaalsContact O-CG 3.3Å; V203-L207 WeakPolarHBondContact O-CG 3.4Å; V203-L207 PolarHBondContact O-N 2.85Å
204L90.6Very high88.7Confident73 Ų7331.4 Ų31.438%0.38216%0.162SC..Hα-helixtrans-61.9-46.8178-179.763.5000112.1F200 I201 F206 L207 C208F200-L204 HydrophobicContact CE1-CD2 4.43Å; F200-L204 WeakPolarHBondContact O-CB 3.22Å; F200-L204 PolarHBondContact O-N 2.89Å; I201-L204 PolarHBondContact O-N 2.92Å; L204-F206 VanDerWaalsContact C-N 3.28Å; L204-F206 PolarHBondContact O-N 3.34Å; L204-L207 WeakPolarHBondContact O-CB 3.46Å; L204-L207 PolarHBondContact O-N 3.47Å; L204-C208 PolarHBondContact O-N 2.66Å; L204-C208 PolarHBondContact O-SG 3.29Å
205M89.1Confident88.3Confident5 Ų534.9 Ų34.93%0.02518%0.176CC..Hα-helixtrans-66.7-32.3177.9-71.3-52.5-65.800112.1L56 N57 V61 L159 I201 W202 C208 T209L56-M205 HydrophobicContact CB-CE 3.88Å; L56-M205 HydrophobicContact CB-SD 3.75Å; L56-M205 HydrophobicContact CD1-SD 4.16Å; L56-M205 HydrophobicContact CG-SD 4.46Å; N57-M205 HydrophobicContact CB-CE 4.47Å; V61-M205 HydrophobicContact CG2-CB 3.99Å; V61-M205 HydrophobicContact CG2-CE 3.37Å; V61-M205 HydrophobicContact CG2-CG 3.93Å; V61-M205 HydrophobicContact CG2-SD 4.44Å; L159-M205 HydrophobicContact CD1-CB 3.76Å; L159-M205 HydrophobicContact CD2-CB 4.35Å; I201-M205 HydrophobicContact CG2-CG 4.24Å; I201-M205 WeakPolarHBondContact O-CB 3.46Å; I201-M205 WeakPolarHBondContact O-CG 3.21Å; I201-M205 PolarHBondContact O-N 2.89Å; W202-M205 PolarHBondContact O-N 3.44Å; M205-C208 PolarHBondContact O-N 2.94Å; M205-T209 WeakPolarHBondContact O-CB 3.35Å; M205-T209 PolarHBondContact O-N 3.15Å; M205-T209 PolarHBondContact O-OG1 3.46Å
206F91.9Very high87.9Confident2 Ų238 Ų381%0.00919%0.193CC..Hα-helixtrans-65.4-44.6173.1179.1-95000111.2L28 M32 L159 T160 W202 V203 L204 C208 T209 A210 T223L28-F206 HydrophobicContact CB-CE1 4.24Å; L28-F206 HydrophobicContact CB-CZ 4.43Å; L28-F206 HydrophobicContact CD2-CD1 3.83Å; L28-F206 HydrophobicContact CD2-CE1 4Å; L28-F206 HydrophobicContact CD2-CG 4.32Å; L28-F206 VanDerWaalsContact O-CE1 3.29Å; L28-F206 WeakPolarHBondContact O-CE1 3.43Å; M32-F206 HydrophobicContact CB-CE1 3.86Å; M32-F206 HydrophobicContact CB-CZ 3.67Å; M32-F206 HydrophobicContact CG-CZ 4.16Å; L159-F206 HydrophobicContact CB-CB 4.25Å; L159-F206 HydrophobicContact CB-CD2 4.42Å; L159-F206 HydrophobicContact CD1-CB 4.3Å; T160-F206 WeakPolarHBondContact OG1-CE2 3.3Å; W202-F206 VanDerWaalsContact O-CB 3.22Å; W202-F206 WeakPolarHBondContact O-CB 3.41Å; W202-F206 PolarHBondContact O-N 2.94Å; V203-F206 WeakPolarHBondContact O-CB 3.44Å; V203-F206 PolarHBondContact O-N 3.08Å; L204-F206 VanDerWaalsContact C-N 3.28Å; L204-F206 PolarHBondContact O-N 3.34Å; F206-C208 PolarHBondContact O-N 2.98Å; F206-T209 CarbonylContact O-C 3.42Å; F206-T209 WeakPolarHBondContact O-CA 3.36Å; F206-T209 WeakPolarHBondContact O-CB 3.49Å; F206-T209 PolarHBondContact O-N 3.31Å; F206-T209 VanDerWaalsContact O-N 3.13Å; F206-A210 PolarHBondContact O-N 3.42Å; F206-T223 HydrophobicContact CE2-CG2 4.27Å; F206-T223 WeakPolarHBondContact CE2-OG1 2.66Å; F206-T223 HydrophobicContact CZ-CG2 3.99Å
207L90.4Very high87.8Confident69 Ų6940.9 Ų40.936%0.36121%0.212SC..Hα-helixtrans-60.2-44.2173.8-68.3171.4000111.8S31 V203 L204 T209 A210 V211S31-L207 VanDerWaalsContact CB-CD2 3.49Å; V203-L207 HydrophobicContact CG1-CD1 4.29Å; V203-L207 VanDerWaalsContact O-CG 3.3Å; V203-L207 WeakPolarHBondContact O-CG 3.4Å; V203-L207 PolarHBondContact O-N 2.85Å; L204-L207 WeakPolarHBondContact O-CB 3.46Å; L204-L207 PolarHBondContact O-N 3.47Å; L207-T209 VanDerWaalsContact C-N 3.27Å; L207-T209 PolarHBondContact O-N 3.45Å; L207-A210 WeakPolarHBondContact O-CB 3.32Å; L207-A210 PolarHBondContact O-N 2.96Å; L207-A210 VanDerWaalsContact O-N 3.15Å; L207-V211 WeakPolarHBondContact O-CG2 3.47Å; L207-V211 PolarHBondContact O-N 3.22Å; L207-V211 VanDerWaalsContact O-N 3.12Å
208C86.5Confident87.6Confident11 Ų1137.4 Ų37.47%0.07419%0.194CC..Hα-helixtrans-60-41.3174.5-63.50000111.1L204 M205 F206 A210 V211 Y212L204-C208 PolarHBondContact O-N 2.66Å; L204-C208 PolarHBondContact O-SG 3.29Å; M205-C208 PolarHBondContact O-N 2.94Å; F206-C208 PolarHBondContact O-N 2.98Å; C208-A210 VanDerWaalsContact C-N 3.33Å; C208-A210 PolarHBondContact O-N 2.84Å; C208-V211 PolarHBondContact O-N 2.95Å; C208-Y212 HydrophobicContact CB-CD2 4.39Å; C208-Y212 WeakPolarHBondContact O-CB 3.34Å; C208-Y212 WeakPolarHBondContact O-CD2 3.4Å; C208-Y212 PolarHBondContact O-N 3.12Å
209T85.5Confident87.5Confident0 Ų037 Ų370%019%0.192CC..Hα-helixtrans-64.1-38.2176.1-56.20000112.1H155 M205 F206 L207 V211 F213 K219H155-T209 HydrophobicContact CB-CG2 4.23Å; M205-T209 WeakPolarHBondContact O-CB 3.35Å; M205-T209 PolarHBondContact O-N 3.15Å; M205-T209 PolarHBondContact O-OG1 3.46Å; F206-T209 CarbonylContact O-C 3.42Å; F206-T209 WeakPolarHBondContact O-CA 3.36Å; F206-T209 WeakPolarHBondContact O-CB 3.49Å; F206-T209 PolarHBondContact O-N 3.31Å; F206-T209 VanDerWaalsContact O-N 3.13Å; L207-T209 VanDerWaalsContact C-N 3.27Å; L207-T209 PolarHBondContact O-N 3.45Å; T209-V211 VanDerWaalsContact C-N 3.3Å; T209-V211 PolarHBondContact O-N 3.03Å; T209-F213 HydrophobicContact CG2-CB 4.44Å; T209-F213 PolarHBondContact O-N 3.36Å; T209-K219 WeakPolarHBondContact O-CE 3.34Å
210A87Confident87.5Confident2 Ų239.3 Ų39.32%0.01721%0.206CC..Hα-helixtrans-64.2-34.3177.100000112.5G35 F206 L207 C208 K219G35-A210 CarbonylContact C-O 3.46Å; F206-A210 PolarHBondContact O-N 3.42Å; L207-A210 WeakPolarHBondContact O-CB 3.32Å; L207-A210 PolarHBondContact O-N 2.96Å; L207-A210 VanDerWaalsContact O-N 3.15Å; C208-A210 VanDerWaalsContact C-N 3.33Å; C208-A210 PolarHBondContact O-N 2.84Å; A210-K219 PolarHBondContact O-NZ 3.37Å
211V86.1Confident87.6Confident23 Ų2334.1 Ų34.114%0.13919%0.187CC..Hα-helixtrans-96.2-35.3-174.1-175.60000113.5L38 K39 L44 L207 C208 T209L38-V211 HydrophobicContact CD2-CG1 4.42Å; L38-V211 HydrophobicContact CD2-CG2 4.48Å; K39-V211 WeakPolarHBondContact CB-O 3.28Å; K39-V211 VanDerWaalsContact CD-O 3.32Å; K39-V211 WeakPolarHBondContact CD-O 3.42Å; K39-V211 WeakPolarHBondContact CG-O 3.41Å; L44-V211 HydrophobicContact CD1-CG1 3.39Å; L44-V211 HydrophobicContact CG-CG1 4.04Å; L207-V211 WeakPolarHBondContact O-CG2 3.47Å; L207-V211 PolarHBondContact O-N 3.22Å; L207-V211 VanDerWaalsContact O-N 3.12Å; C208-V211 PolarHBondContact O-N 2.95Å; T209-V211 VanDerWaalsContact C-N 3.3Å; T209-V211 PolarHBondContact O-N 3.03Å
212Y78.1Confident87.6Confident47 Ų4732.5 Ų32.518%0.18418%0.178CC..THydrogen-bonded Turntrans-99.5-46.4-173.4-67.8-73.2000113.6K39 L44 S47 L49 C208K39-Y212 PolarHBondContact NZ-O 3.44Å; L44-Y212 HydrophobicContact CB-CE1 3.98Å; L44-Y212 HydrophobicContact CD1-CE1 4.44Å; S47-Y212 PolarHBondContact OG-OH 3.25Å; S47-Y212 VanDerWaalsContact OG-OH 3.11Å; L49-Y212 HydrophobicContact CB-CD2 4.46Å; L49-Y212 HydrophobicContact CB-CE2 4.04Å; C208-Y212 HydrophobicContact CB-CD2 4.39Å; C208-Y212 WeakPolarHBondContact O-CB 3.34Å; C208-Y212 WeakPolarHBondContact O-CD2 3.4Å; C208-Y212 PolarHBondContact O-N 3.12Å
213F76.8Confident87.7Confident18 Ų1832.5 Ų32.58%0.07918%0.179CC..SBendtrans-95.4170-168-58-60.5000112.6K39 L49 S50 K52 T209 K219K39-F213 PolarHBondContact NZ-O 3.5Å; K39-F213 VanDerWaalsContact NZ-O 3.11Å; L49-F213 WeakPolarHBondContact O-CZ 3.45Å; S50-F213 VanDerWaalsContact O-CE1 3.24Å; S50-F213 WeakPolarHBondContact O-CE1 3.09Å; S50-F213 VanDerWaalsContact O-CZ 3.28Å; S50-F213 WeakPolarHBondContact O-CZ 3.36Å; K52-F213 HydrophobicContact CD-CE1 4.35Å; K52-F213 HydrophobicContact CG-CD1 4.05Å; K52-F213 HydrophobicContact CG-CE1 3.42Å; K52-F213 VanDerWaalsContact CG-CE1 3.42Å; K52-F213 HydrophobicContact CG-CZ 4.16Å; T209-F213 HydrophobicContact CG2-CB 4.44Å; T209-F213 PolarHBondContact O-N 3.36Å; F213-K219 WeakPolarHBondContact O-CE 3.33Å; F213-K219 PolarHBondContact O-NZ 2.98Å
214H75.9Confident87.9Confident45 Ų4534.9 Ų34.921%0.20819%0.189CC..SBendtrans47.5166.4171.7-66.8-83.6000119.5K39 D151 S153 Q218 K219K39-H214 PolarHBondContact NZ-O 3.14Å; D151-H214 IonicContact OD2-CE1 3.9Å; D151-H214 PolarHBondContact OD2-CE1 3.17Å; S153-H214 PolarHBondContact OG-CD2 2.93Å; S153-H214 PolarHBondContact OG-NE2 3.3Å; H214-Q218 HydrophobicContact CB-CB 4.18Å; H214-Q218 PolarHBondContact ND1-OE1 2.87Å; H214-K219 HydrophobicContact CB-CG 3.84Å; H214-K219 WeakPolarHBondContact O-CE 3.11Å; H214-K219 PolarHBondContact O-NZ 2.77Å
215N83.1Confident88.1Confident104 Ų10434.2 Ų34.256%0.55618%0.184SC*.  trans-83158.7167.5-66.2-36.1000110.8S217 Q218 K219N215-S217 PolarHBondContact O-N 3.47Å; N215-Q218 PolarHBondContact O-N 3.41Å; N215-K219 WeakPolarHBondContact O-CG 3.42Å; N215-K219 PolarHBondContact O-N 2.71Å; N215-K219 VanDerWaalsContact O-N 3.15Å
216L87.1Confident88.5Confident67 Ų6734 Ų3435%0.35118%0.182SC..Hα-helixtrans-52-50.5-178.5173.864000112.2M32 L33 S36 Q218 K219 V220M32-L216 HydrophobicContact SD-CD1 4.34Å; L33-L216 HydrophobicContact CD2-CD1 4.33Å; S36-L216 VanDerWaalsContact CB-CD1 3.42Å; L216-Q218 VanDerWaalsContact C-N 3.32Å; L216-Q218 PolarHBondContact O-N 3.08Å; L216-K219 PolarHBondContact O-N 2.9Å; L216-V220 HydrophobicContact CD1-CG2 3.73Å; L216-V220 HydrophobicContact CG-CG2 4.1Å; L216-V220 WeakPolarHBondContact O-CB 3.43Å; L216-V220 WeakPolarHBondContact O-CG2 3.18Å; L216-V220 PolarHBondContact O-N 3.43Å
217S87.8Confident88.7Confident64 Ų6435.2 Ų35.245%0.44819%0.189SC..Hα-helixtrans-60.2-38.5-17855.20000113.4N215 S221N215-S217 PolarHBondContact O-N 3.47Å; S217-S221 WeakPolarHBondContact O-CB 3.47Å; S217-S221 PolarHBondContact O-N 3.03Å; S217-S221 PolarHBondContact O-OG 3.44Å
218Q89Confident89Confident21 Ų2136.6 Ų36.610%0.09820%0.196CC..Hα-helixtrans-68.1-38.9177.9-67.3176.5-13.200112F150 D151 S153 H214 N215 L216 G222F150-Q218 HydrophobicContact CD2-CG 4.18Å; F150-Q218 HydrophobicContact CE2-CG 3.75Å; F150-Q218 HydrophobicContact CZ-CG 4.18Å; D151-Q218 WeakPolarHBondContact O-CB 3.15Å; D151-Q218 WeakPolarHBondContact O-CG 3.22Å; D151-Q218 PolarHBondContact O-OE1 2.95Å; S153-Q218 PolarHBondContact N-O 3.35Å; S153-Q218 VanDerWaalsContact N-O 3.16Å; H214-Q218 HydrophobicContact CB-CB 4.18Å; H214-Q218 PolarHBondContact ND1-OE1 2.87Å; N215-Q218 PolarHBondContact O-N 3.41Å; L216-Q218 VanDerWaalsContact C-N 3.32Å; L216-Q218 PolarHBondContact O-N 3.08Å; Q218-G222 PolarHBondContact O-N 3Å; Q218-G222 VanDerWaalsContact O-N 3.12Å
219K90.6Very high89.4Confident2 Ų236.6 Ų36.61%0.00920%0.199CC..Hα-helixtrans-68.6-48.1175.2-65.5167.5-177168.40111.7M32 S36 T209 A210 F213 H214 N215 L216 S221 G222 T223M32-K219 HydrophobicContact CG-CB 4.2Å; M32-K219 HydrophobicContact SD-CB 4.06Å; S36-K219 VanDerWaalsContact OG-CD 3.31Å; S36-K219 WeakPolarHBondContact OG-CD 3.31Å; T209-K219 WeakPolarHBondContact O-CE 3.34Å; A210-K219 PolarHBondContact O-NZ 3.37Å; F213-K219 WeakPolarHBondContact O-CE 3.33Å; F213-K219 PolarHBondContact O-NZ 2.98Å; H214-K219 HydrophobicContact CB-CG 3.84Å; H214-K219 WeakPolarHBondContact O-CE 3.11Å; H214-K219 PolarHBondContact O-NZ 2.77Å; N215-K219 WeakPolarHBondContact O-CG 3.42Å; N215-K219 PolarHBondContact O-N 2.71Å; N215-K219 VanDerWaalsContact O-N 3.15Å; L216-K219 PolarHBondContact O-N 2.9Å; K219-S221 VanDerWaalsContact C-N 3.27Å; K219-S221 PolarHBondContact O-N 3.46Å; K219-G222 PolarHBondContact O-N 2.89Å; K219-T223 WeakPolarHBondContact O-CB 3.33Å; K219-T223 PolarHBondContact O-N 3.26Å; K219-T223 PolarHBondContact O-OG1 3.11Å; K219-T223 VanDerWaalsContact O-OG1 3.05Å
220V93.1Very high89.9Confident55 Ų5538.5 Ų38.533%0.33321%0.206SC..Hα-helixtrans-55.4-47.7178.3171.90000109.6M32 L33 L216 T223 L224M32-V220 HydrophobicContact CE-CB 4.15Å; M32-V220 HydrophobicContact CE-CG2 3.61Å; M32-V220 HydrophobicContact SD-CG2 3.8Å; L33-V220 HydrophobicContact CD2-CG2 4.49Å; L216-V220 HydrophobicContact CD1-CG2 3.73Å; L216-V220 HydrophobicContact CG-CG2 4.1Å; L216-V220 WeakPolarHBondContact O-CB 3.43Å; L216-V220 WeakPolarHBondContact O-CG2 3.18Å; L216-V220 PolarHBondContact O-N 3.43Å; V220-T223 PolarHBondContact O-N 3.06Å; V220-L224 VanDerWaalsContact O-CB 3.27Å; V220-L224 WeakPolarHBondContact O-CB 3.39Å; V220-L224 PolarHBondContact O-N 2.94Å
221S92.9Very high90.3Very high31 Ų3145.2 Ų45.222%0.21723%0.232CC..Hα-helixtrans-59.7-50.9177.9-57.70000111.3S217 K219 T223 L224 F225S217-S221 WeakPolarHBondContact O-CB 3.47Å; S217-S221 PolarHBondContact O-N 3.03Å; S217-S221 PolarHBondContact O-OG 3.44Å; K219-S221 VanDerWaalsContact C-N 3.27Å; K219-S221 PolarHBondContact O-N 3.46Å; S221-T223 PolarHBondContact O-N 3.12Å; S221-L224 WeakPolarHBondContact O-CB 3.29Å; S221-L224 PolarHBondContact O-N 2.91Å; S221-F225 VanDerWaalsContact O-CD2 3.27Å; S221-F225 WeakPolarHBondContact O-CD2 3.4Å; S221-F225 PolarHBondContact O-N 3.29Å
222G93.3Very high90.8Very high0 Ų045.6 Ų45.60%024%0.241CC..Hα-helixtrans-58.2-50179.100000112.8F157 Q218 K219 L224 F225 G226F157-G222 WeakPolarHBondContact CA-O 3.35Å; F157-G222 WeakPolarHBondContact CB-O 3.37Å; Q218-G222 PolarHBondContact O-N 3Å; Q218-G222 VanDerWaalsContact O-N 3.12Å; K219-G222 PolarHBondContact O-N 2.89Å; G222-L224 VanDerWaalsContact C-N 3.31Å; G222-L224 PolarHBondContact O-N 3.16Å; G222-F225 PolarHBondContact O-N 2.73Å; G222-G226 PolarHBondContact O-N 3.45Å; G222-G226 VanDerWaalsContact O-N 3.13Å
223T94.9Very high91.6Very high2 Ų243.6 Ų43.61%0.01223%0.233CC..Hα-helixtrans-59.9-41.1177.4-56.30000111.7T160 F206 K219 V220 S221 G226 L227T160-T223 HydrophobicContact CG2-CG2 4.31Å; F206-T223 HydrophobicContact CE2-CG2 4.27Å; F206-T223 WeakPolarHBondContact CE2-OG1 2.66Å; F206-T223 HydrophobicContact CZ-CG2 3.99Å; K219-T223 WeakPolarHBondContact O-CB 3.33Å; K219-T223 PolarHBondContact O-N 3.26Å; K219-T223 PolarHBondContact O-OG1 3.11Å; K219-T223 VanDerWaalsContact O-OG1 3.05Å; V220-T223 PolarHBondContact O-N 3.06Å; S221-T223 PolarHBondContact O-N 3.12Å; T223-G226 PolarHBondContact O-N 2.81Å; T223-G226 VanDerWaalsContact O-N 3.12Å; T223-L227 HydrophobicContact CG2-CD1 4.22Å; T223-L227 WeakPolarHBondContact O-CG 3.41Å; T223-L227 PolarHBondContact O-N 2.92Å
224L95.8Very high92.3Very high91 Ų9143.2 Ų43.248%0.47623%0.231SC..Hα-helixtrans-60.6-46.7177.2178.962.3000111.6V220 S221 G222 G226 L227 L228V220-L224 VanDerWaalsContact O-CB 3.27Å; V220-L224 WeakPolarHBondContact O-CB 3.39Å; V220-L224 PolarHBondContact O-N 2.94Å; S221-L224 WeakPolarHBondContact O-CB 3.29Å; S221-L224 PolarHBondContact O-N 2.91Å; G222-L224 VanDerWaalsContact C-N 3.31Å; G222-L224 PolarHBondContact O-N 3.16Å; L224-G226 PolarHBondContact O-N 2.98Å; L224-L227 PolarHBondContact O-N 2.74Å; L224-L228 HydrophobicContact CD1-CD1 4.22Å; L224-L228 HydrophobicContact CD1-CG 4.13Å; L224-L228 HydrophobicContact CG-CD1 3.96Å; L224-L228 HydrophobicContact CG-CG 4.31Å; L224-L228 WeakPolarHBondContact O-CB 3.49Å; L224-L228 VanDerWaalsContact O-CG 3.28Å; L224-L228 WeakPolarHBondContact O-CG 3.21Å; L224-L228 PolarHBondContact O-N 2.97Å
225F96.3Very high93Very high59 Ų5942.9 Ų42.926%0.25924%0.24SC..Hα-helixtrans-59.2-35.5174.7-86-82.1000112.3F111 I152 F157 S221 G222 G229F111-F225 HydrophobicContact CE1-CB 4.2Å; F111-F225 HydrophobicContact CE1-CD1 4.05Å; F111-F225 AromaticContact CE1-CD2 3.52Å; F111-F225 HydrophobicContact CE1-CD2 3.52Å; F111-F225 HydrophobicContact CE1-CE1 4.31Å; F111-F225 AromaticContact CE1-CE2 3.83Å; F111-F225 HydrophobicContact CE1-CE2 3.83Å; F111-F225 AromaticContact CE1-CG 3.66Å; F111-F225 HydrophobicContact CE1-CG 3.66Å; F111-F225 HydrophobicContact CE1-CZ 4.21Å; F111-F225 HydrophobicContact CZ-CB 3.79Å; F111-F225 HydrophobicContact CZ-CD1 4.42Å; F111-F225 AromaticContact CZ-CD2 3.91Å; F111-F225 HydrophobicContact CZ-CD2 3.91Å; F111-F225 AromaticContact CZ-CG 3.8Å; F111-F225 HydrophobicContact CZ-CG 3.8Å; I152-F225 HydrophobicContact CD1-CE2 4.25Å; F157-F225 HydrophobicContact CD2-CB 3.89Å; F157-F225 HydrophobicContact CE2-CB 4.48Å; S221-F225 VanDerWaalsContact O-CD2 3.27Å; S221-F225 WeakPolarHBondContact O-CD2 3.4Å; S221-F225 PolarHBondContact O-N 3.29Å; G222-F225 PolarHBondContact O-N 2.73Å; F225-G229 PolarHBondContact O-N 2.76Å
226G96.1Very high93.5Very high0 Ų044 Ų440%024%0.24CC..Hα-helixtrans-65.7-45.417700000111.9G222 T223 L224 G229 W230G222-G226 PolarHBondContact O-N 3.45Å; G222-G226 VanDerWaalsContact O-N 3.13Å; T223-G226 PolarHBondContact O-N 2.81Å; T223-G226 VanDerWaalsContact O-N 3.12Å; L224-G226 PolarHBondContact O-N 2.98Å; G226-G229 PolarHBondContact O-N 3.26Å; G226-W230 PolarHBondContact O-N 2.59Å; G226-W230 VanDerWaalsContact O-N 3.09Å
227L96.4Very high93.8Very high29 Ų2945.2 Ų45.215%0.15224%0.24CC..Hα-helixtrans-64.7-42175.8-68169000112.3P25 V29 T160 L164 T223 L224 W230 Y231P25-L227 HydrophobicContact CB-CD2 3.82Å; V29-L227 HydrophobicContact CG2-CD1 3.52Å; T160-L227 HydrophobicContact CG2-CD2 4.23Å; T160-L227 HydrophobicContact CG2-CG 4.2Å; L164-L227 HydrophobicContact CD1-CD2 3.75Å; T223-L227 HydrophobicContact CG2-CD1 4.22Å; T223-L227 WeakPolarHBondContact O-CG 3.41Å; T223-L227 PolarHBondContact O-N 2.92Å; L224-L227 PolarHBondContact O-N 2.74Å; L227-W230 PolarHBondContact O-N 3.49Å; L227-Y231 VanDerWaalsContact O-CB 3.3Å; L227-Y231 WeakPolarHBondContact O-CB 3.41Å; L227-Y231 PolarHBondContact O-N 2.83Å
228L96.6Very high94.1Very high97 Ų9742.3 Ų42.351%0.50822%0.219SC..Hα-helixtrans-64.8-42.8177.9-72.1174.4000111.6L224 W230 G232L224-L228 HydrophobicContact CD1-CD1 4.22Å; L224-L228 HydrophobicContact CD1-CG 4.13Å; L224-L228 HydrophobicContact CG-CD1 3.96Å; L224-L228 HydrophobicContact CG-CG 4.31Å; L224-L228 WeakPolarHBondContact O-CB 3.49Å; L224-L228 VanDerWaalsContact O-CG 3.28Å; L224-L228 WeakPolarHBondContact O-CG 3.21Å; L224-L228 PolarHBondContact O-N 2.97Å; L228-W230 PolarHBondContact O-N 3.19Å; L228-G232 WeakPolarHBondContact O-CA 3.32Å; L228-G232 PolarHBondContact O-N 2.97Å
229G95.6Very high94.2Very high12 Ų1245 Ų4512%0.12424%0.239CC..Hα-helixtrans-60.3-44.7175.100000112.1F225 G226 T233F225-G229 PolarHBondContact O-N 2.76Å; G226-G229 PolarHBondContact O-N 3.26Å; G229-T233 WeakPolarHBondContact O-CB 3.42Å; G229-T233 WeakPolarHBondContact O-CG2 3.38Å; G229-T233 PolarHBondContact O-N 3.34Å; G229-T233 PolarHBondContact O-OG1 3.18Å
230W96.3Very high94.2Very high40 Ų4049.7 Ų49.715%0.15226%0.259CS..Hα-helixtrans-65.4-51.4175.8164.374.2000112.6P25 F161 L164 E168 G226 L227 L228 G232 T233 Y234P25-W230 HydrophobicContact CB-CH2 4.43Å; P25-W230 HydrophobicContact CB-CZ3 4.19Å; P25-W230 HydrophobicContact CG-CE3 4.47Å; P25-W230 HydrophobicContact CG-CH2 3.57Å; P25-W230 HydrophobicContact CG-CZ2 4.12Å; P25-W230 HydrophobicContact CG-CZ3 3.77Å; F161-W230 HydrophobicContact CD2-CB 4.44Å; L164-W230 HydrophobicContact CB-CB 4.15Å; L164-W230 HydrophobicContact CB-CD2 4.29Å; L164-W230 HydrophobicContact CB-CG 3.73Å; L164-W230 HydrophobicContact CD1-CB 3.93Å; L164-W230 HydrophobicContact CD1-CD2 3.91Å; L164-W230 HydrophobicContact CD1-CE3 4.11Å; L164-W230 HydrophobicContact CD1-CG 3.83Å; L164-W230 HydrophobicContact CG-CG 4.34Å; E168-W230 VanDerWaalsContact CG-NE1 3.27Å; E168-W230 PolarHBondContact OE1-NE1 3.47Å; G226-W230 PolarHBondContact O-N 2.59Å; G226-W230 VanDerWaalsContact O-N 3.09Å; L227-W230 PolarHBondContact O-N 3.49Å; L228-W230 PolarHBondContact O-N 3.19Å; W230-G232 PolarHBondContact O-N 3.39Å; W230-T233 PolarHBondContact O-N 3.11Å; W230-T233 PolarHBondContact O-OG1 2.9Å; W230-Y234 AromaticContact CD1-CD2 3.76Å; W230-Y234 PolarHBondContact O-N 3.27Å
231Y95.6Very high93.8Very high142 Ų14251.4 Ų51.456%0.55728%0.279SS*.Iπ-helixtrans-66.9-40.1-177.7-177.5-100.5000111.8L227 T233 G235 F236L227-Y231 VanDerWaalsContact O-CB 3.3Å; L227-Y231 WeakPolarHBondContact O-CB 3.41Å; L227-Y231 PolarHBondContact O-N 2.83Å; Y231-T233 VanDerWaalsContact C-N 3.29Å; Y231-T233 PolarHBondContact O-N 3.48Å; Y231-G235 CarbonylContact O-C 3.58Å; Y231-G235 WeakPolarHBondContact O-CA 3.45Å; Y231-G235 PolarHBondContact O-N 3.36Å; Y231-F236 PolarHBondContact O-N 3.2Å
232G94.9Very high93.4Very high32 Ų3259 Ų5933%0.3331%0.309SS..Iπ-helixtrans-60.8-37.7175.500000112.6L228 W230 W237L228-G232 WeakPolarHBondContact O-CA 3.32Å; L228-G232 PolarHBondContact O-N 2.97Å; W230-G232 PolarHBondContact O-N 3.39Å; G232-W237 VanDerWaalsContact O-CB 3.28Å; G232-W237 WeakPolarHBondContact O-CB 3.33Å; G232-W237 PolarHBondContact O-N 3.17Å
233T95.3Very high93.3Very high4 Ų459.1 Ų59.13%0.02531%0.309CS..Iπ-helixtrans-78.8-73.9175.548.30000111.8V99 I103 G229 W230 Y231 W237 Y238V99-T233 HydrophobicContact CG1-CG2 3.8Å; I103-T233 HydrophobicContact CD1-CG2 3.3Å; G229-T233 WeakPolarHBondContact O-CB 3.42Å; G229-T233 WeakPolarHBondContact O-CG2 3.38Å; G229-T233 PolarHBondContact O-N 3.34Å; G229-T233 PolarHBondContact O-OG1 3.18Å; W230-T233 PolarHBondContact O-N 3.11Å; W230-T233 PolarHBondContact O-OG1 2.9Å; Y231-T233 VanDerWaalsContact C-N 3.29Å; Y231-T233 PolarHBondContact O-N 3.48Å; T233-W237 HydrophobicContact CG2-CE3 4.49Å; T233-W237 PolarHBondContact O-N 3.16Å; T233-W237 VanDerWaalsContact O-N 3.12Å; T233-Y238 HydrophobicContact CG2-CE1 4.15Å; T233-Y238 VanDerWaalsContact O-CB 3.25Å; T233-Y238 WeakPolarHBondContact O-CB 3.45Å; T233-Y238 PolarHBondContact O-N 3.01Å
234Y92.7Very high93Very high10 Ų1059.3 Ų59.34%0.03931%0.31CS..Iπ-helixtrans-71.6-33.3-171.5-71.4-89000113.5T96 M165 E168 E169 W230 Y238 L246T96-Y234 PolarHBondContact OG1-OH 3.07Å; M165-Y234 HydrophobicContact CB-CE2 4.47Å; M165-Y234 HydrophobicContact CE-CE2 4.45Å; M165-Y234 HydrophobicContact CG-CE2 4.04Å; M165-Y234 WeakPolarHBondContact CG-OH 3.33Å; E168-Y234 HydrophobicContact CB-CD1 3.57Å; E168-Y234 HydrophobicContact CB-CD2 4.44Å; E168-Y234 HydrophobicContact CB-CE1 3.5Å; E168-Y234 HydrophobicContact CB-CE2 4.39Å; E168-Y234 HydrophobicContact CB-CG 4.07Å; E168-Y234 HydrophobicContact CG-CD1 3.71Å; E168-Y234 HydrophobicContact CG-CD2 4.18Å; E168-Y234 HydrophobicContact CG-CE1 4.14Å; E168-Y234 HydrophobicContact CG-CG 3.74Å; E169-Y234 WeakPolarHBondContact CG-OH 3.2Å; E169-Y234 VanDerWaalsContact OE1-CE1 3.29Å; E169-Y234 WeakPolarHBondContact OE1-CE1 3.48Å; E169-Y234 PolarHBondContact OE1-OH 2.88Å; W230-Y234 AromaticContact CD1-CD2 3.76Å; W230-Y234 PolarHBondContact O-N 3.27Å; Y234-Y238 AromaticContact CD1-CD2 3.73Å; Y234-Y238 HydrophobicContact CD1-CD2 3.73Å; Y234-Y238 HydrophobicContact CD1-CE2 4.17Å; Y234-Y238 HydrophobicContact CD2-CD2 4.33Å; Y234-Y238 HydrophobicContact CD2-CE2 4.22Å; Y234-Y238 AromaticContact CE1-CD2 3.76Å; Y234-Y238 HydrophobicContact CE1-CD2 3.76Å; Y234-Y238 AromaticContact CE1-CE2 3.82Å; Y234-Y238 HydrophobicContact CE1-CE2 3.82Å; Y234-Y238 HydrophobicContact CE2-CD2 4.36Å; Y234-Y238 AromaticContact CE2-CE2 3.88Å; Y234-Y238 HydrophobicContact CE2-CE2 3.88Å; Y234-Y238 HydrophobicContact CG-CD2 4.01Å; Y234-Y238 HydrophobicContact CG-CE2 4.35Å; Y234-Y238 AromaticContact CZ-CE2 3.65Å; Y234-L246 HydrophobicContact CD1-CD2 4.24Å; Y234-L246 WeakPolarHBondContact O-CD2 3.01Å
235G90.6Very high92.7Very high39 Ų3955.6 Ų55.640%0.40230%0.295SS..Iπ-helixtrans-81-38.4-179.800000113.9Y231Y231-G235 CarbonylContact O-C 3.58Å; Y231-G235 WeakPolarHBondContact O-CA 3.45Å; Y231-G235 PolarHBondContact O-N 3.36Å
236F92.3Very high92.4Very high127 Ų12756.1 Ų56.156%0.55730%0.3SS*.Iπ-helixtrans-116.8-46.6-169.4-177.9-103.8000115.1Y231 K240Y231-F236 PolarHBondContact O-N 3.2Å; F236-K240 VanDerWaalsContact CZ-NZ 3.26Å; F236-K240 WeakPolarHBondContact O-CE 3.5Å
237W94.1Very high92Very high92 Ų9256.2 Ų56.235%0.34830%0.3SS..Iπ-helixtrans-87.6-46.5-172.4-176.928.4000113.5V99 G232 T233 P239 K240 S243V99-W237 HydrophobicContact CB-CZ3 4.19Å; V99-W237 HydrophobicContact CG1-CE3 4.24Å; V99-W237 HydrophobicContact CG1-CH2 4.47Å; V99-W237 HydrophobicContact CG1-CZ3 3.54Å; V99-W237 HydrophobicContact CG2-CH2 3.63Å; V99-W237 HydrophobicContact CG2-CZ3 3.52Å; G232-W237 VanDerWaalsContact O-CB 3.28Å; G232-W237 WeakPolarHBondContact O-CB 3.33Å; G232-W237 PolarHBondContact O-N 3.17Å; T233-W237 HydrophobicContact CG2-CE3 4.49Å; T233-W237 PolarHBondContact O-N 3.16Å; T233-W237 VanDerWaalsContact O-N 3.12Å; W237-P239 VanDerWaalsContact C-N 3.33Å; W237-K240 WeakPolarHBondContact O-CB 3.15Å; W237-K240 WeakPolarHBondContact O-CG 3.29Å; W237-K240 PolarHBondContact O-N 2.96Å; W237-S243 WeakPolarHBondContact O-CB 3.5Å; W237-S243 PolarHBondContact O-OG 3.15Å
238Y93.6Very high91.1Very high3 Ų355.6 Ų55.61%0.01230%0.298CS..THydrogen-bonded Turntrans-62.6-25.1-176.2-75.210.2000115.6T96 V99 T233 Y234 K240 S243 P244 G245 L246T96-Y238 WeakPolarHBondContact CA-OH 3.32Å; T96-Y238 WeakPolarHBondContact OG1-CE2 3.24Å; T96-Y238 VanDerWaalsContact OG1-CZ 3.27Å; T96-Y238 PolarHBondContact OG1-OH 3.08Å; V99-Y238 HydrophobicContact CG1-CE1 4.3Å; V99-Y238 WeakPolarHBondContact CG1-OH 3.44Å; T233-Y238 HydrophobicContact CG2-CE1 4.15Å; T233-Y238 VanDerWaalsContact O-CB 3.25Å; T233-Y238 WeakPolarHBondContact O-CB 3.45Å; T233-Y238 PolarHBondContact O-N 3.01Å; Y234-Y238 AromaticContact CD1-CD2 3.73Å; Y234-Y238 HydrophobicContact CD1-CD2 3.73Å; Y234-Y238 HydrophobicContact CD1-CE2 4.17Å; Y234-Y238 HydrophobicContact CD2-CD2 4.33Å; Y234-Y238 HydrophobicContact CD2-CE2 4.22Å; Y234-Y238 AromaticContact CE1-CD2 3.76Å; Y234-Y238 HydrophobicContact CE1-CD2 3.76Å; Y234-Y238 AromaticContact CE1-CE2 3.82Å; Y234-Y238 HydrophobicContact CE1-CE2 3.82Å; Y234-Y238 HydrophobicContact CE2-CD2 4.36Å; Y234-Y238 AromaticContact CE2-CE2 3.88Å; Y234-Y238 HydrophobicContact CE2-CE2 3.88Å; Y234-Y238 HydrophobicContact CG-CD2 4.01Å; Y234-Y238 HydrophobicContact CG-CE2 4.35Å; Y234-Y238 AromaticContact CZ-CE2 3.65Å; Y238-K240 PolarHBondContact O-N 2.99Å; Y238-S243 VanDerWaalsContact CA-OG 3.24Å; Y238-S243 WeakPolarHBondContact CA-OG 3.16Å; Y238-S243 PolarHBondContact O-OG 3Å; Y238-P244 HydrophobicContact CD1-CG 4.23Å; Y238-P244 HydrophobicContact CE1-CB 4.2Å; Y238-P244 HydrophobicContact CE1-CG 3.62Å; Y238-G245 VanDerWaalsContact CB-O 3.31Å; Y238-G245 WeakPolarHBondContact CB-O 3.28Å; Y238-G245 WeakPolarHBondContact CD2-O 2.99Å; Y238-G245 CarbonylContact O-C 3.27Å; Y238-G245 VanDerWaalsContact O-C 3.27Å; Y238-G245 VanDerWaalsContact O-CA 3.23Å; Y238-G245 WeakPolarHBondContact O-CA 3.49Å; Y238-L246 PolarHBondContact O-N 2.84Å
239P90.8Very high90Very high77 Ų7753.9 Ų53.950%0.529%0.287SS..THydrogen-bonded Turntrans-65-18.5167.1-23.533.9000114.3W237 L246W237-P239 VanDerWaalsContact C-N 3.33Å; P239-L246 HydrophobicContact CG-CD1 4.22Å
240K90.6Very high88.1Confident102 Ų10255.6 Ų55.644%0.44330%0.298SS..SBendtrans-83.4150.5-173.9-56.1-174.7179.4-168.80112.8F236 W237 Y238 F242 S243F236-K240 VanDerWaalsContact CZ-NZ 3.26Å; F236-K240 WeakPolarHBondContact O-CE 3.5Å; W237-K240 WeakPolarHBondContact O-CB 3.15Å; W237-K240 WeakPolarHBondContact O-CG 3.29Å; W237-K240 PolarHBondContact O-N 2.96Å; Y238-K240 PolarHBondContact O-N 2.99Å; K240-F242 VanDerWaalsContact C-N 3.29Å; K240-F242 PolarHBondContact O-N 3.38Å; K240-F242 VanDerWaalsContact O-N 3.17Å; K240-S243 WeakPolarHBondContact O-CB 3.43Å; K240-S243 PolarHBondContact O-N 3.39Å; K240-S243 VanDerWaalsContact O-N 3.14Å; K240-S243 PolarHBondContact O-OG 2.86Å
241A84.7Confident85.7Confident91 Ų9158.4 Ų58.475%0.75232%0.322SS*.THydrogen-bonded Turntrans-65.3-19.5-173.300000116.1R92R92-A241 PolarHBondContact NH2-O 2.96Å
242F85Confident83.5Confident191 Ų19154.5 Ų54.584%0.83832%0.316SS*.THydrogen-bonded Turntrans-94.5-5.7178-175.2-105.3000113.6K240K240-F242 VanDerWaalsContact C-N 3.29Å; K240-F242 PolarHBondContact O-N 3.38Å; K240-F242 VanDerWaalsContact O-N 3.17Å
243S90.9Very high81.3Confident2 Ų256.9 Ų56.91%0.01432%0.321CS..SBendtrans-84.8172.7-174.875.20000112.8R92 W237 Y238 K240 G245R92-S243 VanDerWaalsContact CZ-O 3.25Å; R92-S243 PolarHBondContact NE-O 2.75Å; R92-S243 PolarHBondContact NH2-O 3.48Å; W237-S243 WeakPolarHBondContact O-CB 3.5Å; W237-S243 PolarHBondContact O-OG 3.15Å; Y238-S243 VanDerWaalsContact CA-OG 3.24Å; Y238-S243 WeakPolarHBondContact CA-OG 3.16Å; Y238-S243 PolarHBondContact O-OG 3Å; K240-S243 WeakPolarHBondContact O-CB 3.43Å; K240-S243 PolarHBondContact O-N 3.39Å; K240-S243 VanDerWaalsContact O-N 3.14Å; K240-S243 PolarHBondContact O-OG 2.86Å; S243-G245 PolarHBondContact O-N 3.31Å; S243-G245 PolarHBondContact OG-N 3.33Å; S243-G245 VanDerWaalsContact OG-N 3.07Å
244P89Confident78.8Confident5 Ų561.3 Ų61.33%0.03234%0.344CS..SBendtrans-54-19.9167.3-24.633.5000113.9R93 S95 V99 Y238R93-P244 WeakPolarHBondContact CD-O 3.16Å; R93-P244 PolarHBondContact NH1-O 2.85Å; S95-P244 WeakPolarHBondContact OG-CB 3.39Å; S95-P244 WeakPolarHBondContact OG-CG 3.33Å; V99-P244 HydrophobicContact CG2-CG 4.02Å; Y238-P244 HydrophobicContact CD1-CG 4.23Å; Y238-P244 HydrophobicContact CE1-CB 4.2Å; Y238-P244 HydrophobicContact CE1-CG 3.62Å
245G89.6Confident76.5Confident14 Ų1466.8 Ų66.814%0.14437%0.373CS..  trans93.6178.1-177.900000112.8R93 Y238 S243R93-G245 PolarHBondContact NH1-O 2.85Å; Y238-G245 VanDerWaalsContact CB-O 3.31Å; Y238-G245 WeakPolarHBondContact CB-O 3.28Å; Y238-G245 WeakPolarHBondContact CD2-O 2.99Å; Y238-G245 CarbonylContact O-C 3.27Å; Y238-G245 VanDerWaalsContact O-C 3.27Å; Y238-G245 VanDerWaalsContact O-CA 3.23Å; Y238-G245 WeakPolarHBondContact O-CA 3.49Å; S243-G245 PolarHBondContact O-N 3.31Å; S243-G245 PolarHBondContact OG-N 3.33Å; S243-G245 VanDerWaalsContact OG-N 3.07Å
246L90.1Very high74.4Confident69 Ų6971.6 Ų71.636%0.36138%0.383SS..PPolyproline II helixtrans-93.3157.6164.9-68.4173.5000110.5Y234 Y238 P239Y234-L246 HydrophobicContact CD1-CD2 4.24Å; Y234-L246 WeakPolarHBondContact O-CD2 3.01Å; Y238-L246 PolarHBondContact O-N 2.84Å; P239-L246 HydrophobicContact CG-CD1 4.22Å
247P86.8Confident72.2Confident2 Ų270.8 Ų70.81%0.01338%0.381CS..PPolyproline II helixtrans-52.6137.3165.8-22.632.8000110E168 V172 Q249E168-P247 WeakPolarHBondContact O-CG 3.48Å; V172-P247 HydrophobicContact CB-CB 4.31Å; P247-Q249 PolarHBondContact O-N 2.03Å
248P78.9Confident69.7Low17 Ų1771.2 Ų71.211%0.1139%0.39CS..PPolyproline II helixtrans-54.2126.6-179.8-24.531.4000111.7N80 L83 V172 E175N80-P248 WeakPolarHBondContact OD1-CD 3.32Å; N80-P248 WeakPolarHBondContact OD1-CG 3.43Å; L83-P248 HydrophobicContact CD1-CB 4.07Å; L83-P248 HydrophobicContact CD1-CG 4.1Å; V172-P248 HydrophobicContact CG2-CB 4.44Å; V172-P248 HydrophobicContact CG2-CG 4.2Å; E175-P248 WeakPolarHBondContact CG-O 3.3Å
249Q72.1Confident67.1Low60 Ų6075.2 Ų75.228%0.2842%0.419SS..  trans-128.1142.4172.7-68173.623.600108.7S171 P247 C251 S252S171-Q249 PolarHBondContact OG-NE2 3.19Å; P247-Q249 PolarHBondContact O-N 2.03Å; Q249-C251 PolarHBondContact O-N 3.47Å; Q249-S252 PolarHBondContact N-OG 3.17Å; Q249-S252 PolarHBondContact O-N 2.81Å; Q249-S252 PolarHBondContact O-OG 3.06Å
250S55.4Low64.8Low49 Ų4981.7 Ų81.734%0.34344%0.435SS..Hα-helixtrans-46.4-33.9-174.924.50000114.4E175 N254E175-S250 VanDerWaalsContact CD-CB 3.5Å; E175-S250 WeakPolarHBondContact OE1-CA 3.48Å; E175-S250 WeakPolarHBondContact OE1-CB 3.34Å; E175-S250 PolarHBondContact OE1-N 3.04Å; E175-S250 PolarHBondContact OE1-OG 3.41Å; E175-S250 WeakPolarHBondContact OE2-CA 3.5Å; E175-S250 VanDerWaalsContact OE2-CB 3.29Å; E175-S250 WeakPolarHBondContact OE2-CB 3.23Å; E175-S250 PolarHBondContact OE2-N 3.35Å; S250-N254 PolarHBondContact O-ND2 2.83Å
251C46.5Very low62.6Low98 Ų9884.4 Ų84.466%0.66245%0.447SS*.Hα-helixtrans-68-35.3178.7-156.30000113.2Q249Q249-C251 PolarHBondContact O-N 3.47Å
252S49.5Very low60.4Low61 Ų6191.9 Ų91.943%0.42746%0.462SS..Hα-helixtrans-78-24.4-179.4650000114.4Q249 K256Q249-S252 PolarHBondContact N-OG 3.17Å; Q249-S252 PolarHBondContact O-N 2.81Å; Q249-S252 PolarHBondContact O-OG 3.06Å; S252-K256 PolarHBondContact O-N 3.34Å
253L49.5Very low59.2Low82 Ų8286.9 Ų86.943%0.42944%0.443SS..Hα-helixtrans-77.6-40.3-179.8-71.5171.8000111.6K256 Q257L253-K256 PolarHBondContact O-N 3.16Å; L253-Q257 WeakPolarHBondContact O-CB 3.32Å; L253-Q257 PolarHBondContact O-N 3.33Å
254N41.2Very low57.5Low96 Ų9691.4 Ų91.451%0.51347%0.466SS..Hα-helixtrans-63.8-44.5177.7-74.9-69.9000112S250 K256 Q257 D258S250-N254 PolarHBondContact O-ND2 2.83Å; N254-K256 VanDerWaalsContact C-N 3.33Å; N254-K256 PolarHBondContact O-N 3.4Å; N254-Q257 PolarHBondContact O-N 3.36Å; N254-D258 PolarHBondContact O-N 3.1Å
255L46.4Very low55.7Low125 Ų12596.2 Ų96.265%0.65449%0.49SS*.Hα-helixtrans-60.9-37.1176.3-85.8157.3000113.6S259L255-S259 PolarHBondContact O-N 3.04Å
256K46.3Very low53.7Low141 Ų141101 Ų10161%0.61351%0.51SS*.Hα-helixtrans-74.2-34.6175.9-99.8-176.8177.4178.70112.8S252 L253 N254 S259 Y260S252-K256 PolarHBondContact O-N 3.34Å; L253-K256 PolarHBondContact O-N 3.16Å; N254-K256 VanDerWaalsContact C-N 3.33Å; N254-K256 PolarHBondContact O-N 3.4Å; K256-S259 PolarHBondContact O-N 3.35Å; K256-Y260 PolarHBondContact O-N 3.42Å
257Q45.3Very low51.5Low110 Ų110103 Ų10351%0.51452%0.519SS..Hα-helixtrans-70.3-35178.2-167.1164.20.800111.6L253 N254 K261L253-Q257 WeakPolarHBondContact O-CB 3.32Å; L253-Q257 PolarHBondContact O-N 3.33Å; N254-Q257 PolarHBondContact O-N 3.36Å; Q257-K261 WeakPolarHBondContact O-CG 3.46Å; Q257-K261 PolarHBondContact O-N 3.34Å
258D40.8Very low49.1Very low100 Ų100109.7 Ų109.754%0.53555%0.553SS.*Hα-helixtrans-72.2-33.3173.9-70.8-24.7000112.7N254 Y260 K261N254-D258 PolarHBondContact O-N 3.1Å; D258-Y260 VanDerWaalsContact C-N 3.31Å; D258-Y260 PolarHBondContact O-N 3.36Å; D258-K261 PolarHBondContact O-N 3.25Å
259S39.4Very low47Very low88 Ų88116.4 Ų116.462%0.61559%0.585SS**Hα-helixtrans-73-20.1176.2-170.40000114.1L255 K256L255-S259 PolarHBondContact O-N 3.04Å; K256-S259 PolarHBondContact O-N 3.35Å
260Y43.6Very low45Very low212 Ų212120.7 Ų120.783%0.83161%0.608SS**THydrogen-bonded Turntrans-91.2-10.9174.2-101.5-83.1000113K256 D258K256-Y260 PolarHBondContact O-N 3.42Å; D258-Y260 VanDerWaalsContact C-N 3.31Å; D258-Y260 PolarHBondContact O-N 3.36Å
261K43Very low44.2Very low160 Ų160126.7 Ų126.770%0.69663%0.63SS**  trans-96.3-2.4177.4-78.8-176.3178.2-177.60113.6Q257 D258Q257-K261 WeakPolarHBondContact O-CG 3.46Å; Q257-K261 PolarHBondContact O-N 3.34Å; D258-K261 PolarHBondContact O-N 3.25Å
262K38.5Very low44Very low247 Ų247129.3 Ų129.3100%1.07463%0.627SS**  trans-103.60169-78.9-176.8175.2-178.40109.4

Retrieved 262 of 262 residues in 1717.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).