A0A087YM25_POEFO Loading...

WAS protein family homolog 1

AlphaFold DB , UniProt , Accession A0A087YM25, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 472 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M31.8Very low42Very low243 Ų243156.6 Ų156.6100%1.19777%0.766SS**  0101.50-89.9171.9169.400109.1R3M1-R3 PolarHBondContact O-N 3.24Å
2V28.3Very low43.7Very low137 Ų137149.9 Ų149.983%0.8377%0.767SS**  trans-81.1110.8170.1176.80000105.8M4V2-M4 VanDerWaalsContact C-N 3.35Å; V2-M4 PolarHBondContact O-N 3.11Å
3R33.8Very low46.1Very low217 Ų217146.8 Ų146.882%0.81975%0.747SS**  trans-66.299.3169.9-78.1-177.6175.8173.7-2106.8M1 T5M1-R3 PolarHBondContact O-N 3.24Å; R3-T5 VanDerWaalsContact C-N 3.34Å; R3-T5 PolarHBondContact O-N 3.44Å
4M30.6Very low48.7Very low166 Ų166139.4 Ų139.482%0.81871%0.713SS**  trans-68.699.8162.8-73.2-174.812000106.1V2 Q6V2-M4 VanDerWaalsContact C-N 3.35Å; V2-M4 PolarHBondContact O-N 3.11Å; M4-Q6 VanDerWaalsContact C-N 3.32Å; M4-Q6 PolarHBondContact O-N 3.39Å
5T43Very low51.2Low105 Ų105132.1 Ų132.164%0.64467%0.673SS**  trans-66.5102.9160.142.40000105.6R3 R7R3-T5 VanDerWaalsContact C-N 3.34Å; R3-T5 PolarHBondContact O-N 3.44Å; T5-R7 PolarHBondContact O-N 3.22Å
6Q38.5Very low53.4Low156 Ų156126.5 Ų126.573%0.72965%0.65SS**  trans-63.293.3170.1-168.1167.615.500106.2M4 H8M4-Q6 VanDerWaalsContact C-N 3.32Å; M4-Q6 PolarHBondContact O-N 3.39Å; Q6-H8 PolarHBondContact O-CD2 3.44Å; Q6-H8 PolarHBondContact O-N 2.98Å
7R49.8Very low55.2Low138 Ų138123.2 Ų123.252%0.52164%0.637SS.*  trans-70.499.9172.9-66.8-173-176.4-174.1-1.6105.7T5 C9 S114T5-R7 PolarHBondContact O-N 3.22Å; R7-C9 PolarHBondContact O-N 3.28Å; R7-S114 PolarHBondContact NH1-OG 3Å; R7-S114 PolarHBondContact NH2-O 3.48Å; R7-S114 PolarHBondContact NH2-OG 3.18Å
8H46.3Very low56.8Low143 Ų143119.9 Ų119.966%0.66263%0.625SS**  trans-70.977.3166.9-69-87.4000107.5Q6 L10Q6-H8 PolarHBondContact O-CD2 3.44Å; Q6-H8 PolarHBondContact O-N 2.98Å; H8-L10 PolarHBondContact O-N 3.08Å
9C47.9Very low58.3Low86 Ų86122.1 Ų122.158%0.58164%0.636SS**  trans-73.1108.3169.4-66.80000106.9R7R7-C9 PolarHBondContact O-N 3.28Å
10L55.9Low59.8Low124 Ų124118.3 Ų118.365%0.64962%0.618SS**  trans-64.8143.3170-62.6174.2000108.8H8 G12 Q13H8-L10 PolarHBondContact O-N 3.08Å; L10-G12 PolarHBondContact O-N 2.93Å; L10-G12 VanDerWaalsContact O-N 3.17Å; L10-Q13 WeakPolarHBondContact O-CB 3.34Å; L10-Q13 PolarHBondContact O-N 3.48Å
11E55.7Low60.8Low208 Ų208118.1 Ų118.197%0.97261%0.614SS**THydrogen-bonded Turntrans-58.5119.9-179.6-160.5162.7-167.600109.8
12G62.9Low62.9Low76 Ų76111 Ų11178%0.78459%0.586SS**THydrogen-bonded Turntrans98.1-6.7-174.200000116L10 V14L10-G12 PolarHBondContact O-N 2.93Å; L10-G12 VanDerWaalsContact O-N 3.17Å; G12-V14 PolarHBondContact O-N 2.81Å
13Q74.5Confident65.3Low109 Ų109111.4 Ų111.451%0.50958%0.579SS.*  trans-85.6107175.2-170.8159.53.200111.7L10 Y15L10-Q13 WeakPolarHBondContact O-CB 3.34Å; L10-Q13 PolarHBondContact O-N 3.48Å; Q13-Y15 WeakPolarHBondContact CG-O 3.41Å; Q13-Y15 PolarHBondContact NE2-O 3.33Å
14V82.4Confident67.4Low44 Ų44102.6 Ų102.627%0.26755%0.548SS..  trans-87.4-35.6-175.71720000112.9G12 F107 A110G12-V14 PolarHBondContact O-N 2.81Å; V14-F107 HydrophobicContact CB-CB 4.34Å; V14-F107 HydrophobicContact CG1-CB 4.29Å; V14-F107 HydrophobicContact CG2-CB 3.83Å; V14-A110 HydrophobicContact CG1-CB 3.32Å
15Y86.6Confident69.9Low29 Ų2997 Ų9711%0.11452%0.518CS..  trans-114.8140.2-177.8-54.7-77.2000111.3Q13 I43 D46 I47 R50 F107 A110 D112Q13-Y15 WeakPolarHBondContact CG-O 3.41Å; Q13-Y15 PolarHBondContact NE2-O 3.33Å; Y15-I43 HydrophobicContact CD1-CB 4.5Å; Y15-I43 HydrophobicContact CD1-CD1 4.32Å; Y15-I43 HydrophobicContact CD1-CG1 3.88Å; Y15-I43 HydrophobicContact CD1-CG2 4.02Å; Y15-I43 HydrophobicContact CD2-CG2 4.14Å; Y15-I43 HydrophobicContact CG-CD1 4.43Å; Y15-I43 HydrophobicContact CG-CG1 4.3Å; Y15-I43 HydrophobicContact CG-CG2 3.77Å; Y15-D46 PolarHBondContact OH-OD2 2.95Å; Y15-I47 HydrophobicContact CD2-CD1 4.12Å; Y15-I47 HydrophobicContact CD2-CG1 4.14Å; Y15-I47 HydrophobicContact CE2-CD1 4.18Å; Y15-I47 HydrophobicContact CE2-CG1 3.68Å; Y15-R50 PolarHBondContact OH-NE 3.48Å; Y15-F107 AromaticContact CE2-CD1 3.65Å; Y15-F107 HydrophobicContact CE2-CD1 3.65Å; Y15-F107 AromaticContact CE2-CE1 3.9Å; Y15-F107 HydrophobicContact CE2-CE1 3.9Å; Y15-F107 HydrophobicContact CE2-CG 4.5Å; Y15-A110 HydrophobicContact CE1-CB 4.38Å; Y15-D112 WeakPolarHBondContact CA-OD1 3.43Å
16S85.8Confident71.9Confident43 Ų43101.7 Ų101.730%0.30152%0.524SS..  trans-130.6113.6178.2-175.10000111.4Y39 D112S16-Y39 WeakPolarHBondContact O-CE1 3.46Å; S16-Y39 PolarHBondContact O-OH 3.19Å; S16-D112 PolarHBondContact N-OD1 3.02Å
17V85.4Confident74.2Confident71 Ų7198.2 Ų98.243%0.4351%0.507SS..PPolyproline II helixtrans-86.3126178.5-1780000110L19 Y39 I43V17-L19 PolarHBondContact O-N 3.24Å; V17-Y39 HydrophobicContact CB-CD1 4.4Å; V17-Y39 HydrophobicContact CG1-CD1 4.32Å; V17-Y39 HydrophobicContact CG2-CD1 4.25Å; V17-Y39 HydrophobicContact CG2-CE1 4.34Å; V17-I43 HydrophobicContact CG2-CD1 4Å
18P83.1Confident75.9Confident64 Ų6493.8 Ų93.842%0.41649%0.493SS..PPolyproline II helixtrans-69125.9177.826.9-31.6000110.7S36 Y39P18-S36 PolarHBondContact O-OG 3.25Å; P18-Y39 VanDerWaalsContact CD-CD1 3.42Å; P18-Y39 HydrophobicContact CG-CD1 4.4Å
19L85.9Confident77.9Confident161 Ų16188 Ų8884%0.84347%0.47SS*.PPolyproline II helixtrans-76.8137.2171.8-141.692.8000110V17 Q21V17-L19 PolarHBondContact O-N 3.24Å; L19-Q21 PolarHBondContact O-N 3.45Å
20V87.4Confident79.9Confident46 Ų4688 Ų8828%0.27947%0.467SS..PPolyproline II helixtrans-67126.5172.5-177.10000107.9Q32 I33V20-Q32 HydrophobicContact CG1-CB 4.14Å; V20-Q32 HydrophobicContact CG2-CB 4.3Å; V20-I33 HydrophobicContact CG1-CG1 4.36Å; V20-I33 HydrophobicContact CG2-CG1 3.85Å
21Q81.6Confident81.4Confident114 Ų11484.8 Ų84.853%0.53345%0.45SS..PPolyproline II helixtrans-71.5147.7-177.6-47.1179.9-19.600109.6L19 L24L19-Q21 PolarHBondContact O-N 3.45Å; Q21-L24 HydrophobicContact CB-CD1 3.51Å; Q21-L24 HydrophobicContact CG-CD1 4.36Å; Q21-L24 WeakPolarHBondContact O-CD1 3.21Å
22P75.6Confident82.9Confident95 Ų9577.9 Ų77.962%0.61742%0.418SS*.THydrogen-bonded Turntrans-66.6141.6169.927.2-32.4000109.5
23E77.8Confident84.2Confident145 Ų14578 Ų7868%0.67840%0.4SS*.THydrogen-bonded Turntrans73.832.7170.3-51-137.1-17900117.4K138E23-K138 VanDerWaalsContact OE1-CE 3.3Å; E23-K138 WeakPolarHBondContact OE1-CE 3.41Å; E23-K138 IonicContact OE1-NZ 2.95Å; E23-K138 PolarHBondContact OE1-NZ 3.38Å; E23-K138 IonicContact OE2-NZ 3.1Å; E23-K138 PolarHBondContact OE2-NZ 2.82Å
24L79.8Confident85Confident31 Ų3175.1 Ų75.116%0.16240%0.395CS..  trans-71.4157.4158.4-75.2100.6000112Q21 E28 A29 Q32Q21-L24 HydrophobicContact CB-CD1 3.51Å; Q21-L24 HydrophobicContact CG-CD1 4.36Å; Q21-L24 WeakPolarHBondContact O-CD1 3.21Å; L24-E28 HydrophobicContact CB-CB 3.99Å; L24-E28 HydrophobicContact CD2-CB 3.62Å; L24-E28 HydrophobicContact CG-CB 4.4Å; L24-A29 HydrophobicContact CB-CB 4.11Å; L24-Q32 VanDerWaalsContact CD1-OE1 3.27Å; L24-Q32 HydrophobicContact CD2-CG 4.13Å; L24-Q32 VanDerWaalsContact CD2-NE2 3.3Å
25R82.9Confident85.3Confident48 Ų4874.4 Ų74.418%0.18139%0.389CS..  trans-61.3154.8166.6-66.1-178.4-82.5179.3-5.7109.4E27 E28 A29 N125R25-E27 PolarHBondContact O-N 3.08Å; R25-E28 HydrophobicContact CB-CB 4.38Å; R25-E28 HydrophobicContact CB-CG 4.34Å; R25-E28 WeakPolarHBondContact CB-OE2 3.41Å; R25-E28 IonicContact CZ-OE1 3.49Å; R25-E28 VanDerWaalsContact CZ-OE1 3.25Å; R25-E28 PolarHBondContact N-OE2 3.5Å; R25-E28 VanDerWaalsContact NE-CD 3.31Å; R25-E28 IonicContact NE-OE1 3.32Å; R25-E28 PolarHBondContact NE-OE1 3.43Å; R25-E28 VanDerWaalsContact NE-OE1 3.12Å; R25-E28 IonicContact NE-OE2 2.7Å; R25-E28 PolarHBondContact NE-OE2 2.92Å; R25-E28 IonicContact NH2-OE1 3.59Å; R25-E28 PolarHBondContact NH2-OE1 3.08Å; R25-E28 PolarHBondContact O-N 3.29Å; R25-E28 VanDerWaalsContact O-N 3.1Å; R25-A29 WeakPolarHBondContact O-CB 3.48Å; R25-A29 PolarHBondContact O-N 2.78Å; R25-N125 PolarHBondContact NH1-O 3.24Å
26R84.9Confident85.4Confident205 Ų20573.9 Ų73.977%0.77439%0.39SS*.Hα-helixtrans-54.5-43.4-176.1-174178.6-178.4177.51112A29 V30R26-A29 PolarHBondContact O-N 3.31Å; R26-V30 VanDerWaalsContact O-CG2 3.24Å; R26-V30 WeakPolarHBondContact O-CG2 3.49Å; R26-V30 PolarHBondContact O-N 2.91Å
27E85.7Confident85.7Confident82 Ų8276.9 Ų76.938%0.38340%0.402SS..Hα-helixtrans-69.3-40.4-178.3-54.774.8-165.900111.3R25 L31 I123 N125R25-E27 PolarHBondContact O-N 3.08Å; E27-L31 VanDerWaalsContact O-CG 3.31Å; E27-L31 WeakPolarHBondContact O-CG 3.27Å; E27-L31 PolarHBondContact O-N 3.18Å; E27-L31 VanDerWaalsContact O-N 3.12Å; E27-I123 HydrophobicContact CB-CG2 4.18Å; E27-N125 PolarHBondContact OE1-ND2 2.82Å; E27-N125 PolarHBondContact OE2-ND2 3.35Å
28E85Confident85.9Confident45 Ų4578.2 Ų78.221%0.2141%0.406CS..Hα-helixtrans-66.7-42.4175.4-73.9167.3165.600111.8L24 R25 L31 Q32 I123L24-E28 HydrophobicContact CB-CB 3.99Å; L24-E28 HydrophobicContact CD2-CB 3.62Å; L24-E28 HydrophobicContact CG-CB 4.4Å; R25-E28 HydrophobicContact CB-CB 4.38Å; R25-E28 HydrophobicContact CB-CG 4.34Å; R25-E28 WeakPolarHBondContact CB-OE2 3.41Å; R25-E28 IonicContact CZ-OE1 3.49Å; R25-E28 VanDerWaalsContact CZ-OE1 3.25Å; R25-E28 PolarHBondContact N-OE2 3.5Å; R25-E28 VanDerWaalsContact NE-CD 3.31Å; R25-E28 IonicContact NE-OE1 3.32Å; R25-E28 PolarHBondContact NE-OE1 3.43Å; R25-E28 VanDerWaalsContact NE-OE1 3.12Å; R25-E28 IonicContact NE-OE2 2.7Å; R25-E28 PolarHBondContact NE-OE2 2.92Å; R25-E28 IonicContact NH2-OE1 3.59Å; R25-E28 PolarHBondContact NH2-OE1 3.08Å; R25-E28 PolarHBondContact O-N 3.29Å; R25-E28 VanDerWaalsContact O-N 3.1Å; E28-L31 PolarHBondContact O-N 2.91Å; E28-Q32 WeakPolarHBondContact O-CG 3.29Å; E28-Q32 PolarHBondContact O-N 3.22Å; E28-I123 HydrophobicContact CB-CD1 4.15Å; E28-I123 HydrophobicContact CG-CD1 3.29Å; E28-I123 HydrophobicContact CG-CG1 4.5Å; E28-I123 HydrophobicContact CG-CG2 4.38Å
29A89.1Confident86.3Confident23 Ų2375.9 Ų75.919%0.1939%0.389CS..Hα-helixtrans-62.1-46.1177.300000110.7L24 R25 R26 L31 Q32 I33L24-A29 HydrophobicContact CB-CB 4.11Å; R25-A29 WeakPolarHBondContact O-CB 3.48Å; R25-A29 PolarHBondContact O-N 2.78Å; R26-A29 PolarHBondContact O-N 3.31Å; A29-L31 VanDerWaalsContact C-N 3.31Å; A29-L31 PolarHBondContact O-N 3.3Å; A29-Q32 PolarHBondContact O-N 3.2Å; A29-I33 WeakPolarHBondContact O-CB 3.38Å; A29-I33 WeakPolarHBondContact O-CD1 3.32Å; A29-I33 WeakPolarHBondContact O-CG1 3.48Å; A29-I33 PolarHBondContact O-N 3.33Å
30V89.9Confident86.5Confident85 Ų8572.6 Ų72.652%0.51537%0.372SS..Hα-helixtrans-60.1-42.2176.8170.40000111.3R26 I33 A34R26-V30 VanDerWaalsContact O-CG2 3.24Å; R26-V30 WeakPolarHBondContact O-CG2 3.49Å; R26-V30 PolarHBondContact O-N 2.91Å; V30-I33 PolarHBondContact O-N 2.97Å; V30-A34 WeakPolarHBondContact O-CB 3.37Å; V30-A34 PolarHBondContact O-N 3.5Å
31L87.9Confident86.8Confident56 Ų5676 Ų7629%0.29339%0.385SS..Hα-helixtrans-66.6-43177.2-70.5170.5000112.1E27 E28 A29 A34 D35 I123E27-L31 VanDerWaalsContact O-CG 3.31Å; E27-L31 WeakPolarHBondContact O-CG 3.27Å; E27-L31 PolarHBondContact O-N 3.18Å; E27-L31 VanDerWaalsContact O-N 3.12Å; E28-L31 PolarHBondContact O-N 2.91Å; A29-L31 VanDerWaalsContact C-N 3.31Å; A29-L31 PolarHBondContact O-N 3.3Å; L31-A34 PolarHBondContact O-N 2.82Å; L31-D35 WeakPolarHBondContact O-CB 3.48Å; L31-D35 PolarHBondContact O-N 3.09Å; L31-I123 HydrophobicContact CD1-CD1 3.56Å; L31-I123 HydrophobicContact CD1-CG1 3.74Å
32Q87.4Confident87.3Confident63 Ų6374.1 Ų74.129%0.29438%0.381SS..Hα-helixtrans-64.3-39.9175.5-75.8-166-11.200112.2V20 L24 E28 A29 D35 S36V20-Q32 HydrophobicContact CG1-CB 4.14Å; V20-Q32 HydrophobicContact CG2-CB 4.3Å; L24-Q32 VanDerWaalsContact CD1-OE1 3.27Å; L24-Q32 HydrophobicContact CD2-CG 4.13Å; L24-Q32 VanDerWaalsContact CD2-NE2 3.3Å; E28-Q32 WeakPolarHBondContact O-CG 3.29Å; E28-Q32 PolarHBondContact O-N 3.22Å; A29-Q32 PolarHBondContact O-N 3.2Å; Q32-D35 PolarHBondContact O-N 2.98Å; Q32-S36 VanDerWaalsContact O-CB 3.32Å; Q32-S36 WeakPolarHBondContact O-CB 3.48Å; Q32-S36 PolarHBondContact O-N 3.32Å; Q32-S36 PolarHBondContact O-OG 2.91Å; Q32-S36 VanDerWaalsContact O-OG 3.11Å
33I90.6Very high88.1Confident80 Ų8070.1 Ų70.141%0.4135%0.354SS..Hα-helixtrans-60.6-49.6174.8-69.9162.3000109.6V20 A29 V30 D35 S36 L37V20-I33 HydrophobicContact CG1-CG1 4.36Å; V20-I33 HydrophobicContact CG2-CG1 3.85Å; A29-I33 WeakPolarHBondContact O-CB 3.38Å; A29-I33 WeakPolarHBondContact O-CD1 3.32Å; A29-I33 WeakPolarHBondContact O-CG1 3.48Å; A29-I33 PolarHBondContact O-N 3.33Å; V30-I33 PolarHBondContact O-N 2.97Å; I33-D35 VanDerWaalsContact C-N 3.33Å; I33-D35 PolarHBondContact O-N 2.97Å; I33-S36 PolarHBondContact O-N 3.05Å; I33-L37 HydrophobicContact CG2-CD1 3.86Å; I33-L37 HydrophobicContact CG2-CG 4.3Å; I33-L37 WeakPolarHBondContact O-CB 3.36Å; I33-L37 VanDerWaalsContact O-CG 3.25Å; I33-L37 WeakPolarHBondContact O-CG 3.5Å; I33-L37 PolarHBondContact O-N 3.21Å
34A90.5Very high88.8Confident48 Ų4865.2 Ų65.240%0.39734%0.336SS..Hα-helixtrans-60-43.417900000112V30 L31 L37 L38V30-A34 WeakPolarHBondContact O-CB 3.37Å; V30-A34 PolarHBondContact O-N 3.5Å; L31-A34 PolarHBondContact O-N 2.82Å; A34-L37 PolarHBondContact O-N 2.8Å; A34-L38 WeakPolarHBondContact O-CB 3.34Å; A34-L38 PolarHBondContact O-N 3.37Å
35D87.9Confident89.5Confident29 Ų2967.9 Ų67.916%0.15535%0.353CS..Hα-helixtrans-67.2-41.6178.4-66.9-20.7000111.6L31 Q32 I33 L37 L38 Y39 R121L31-D35 WeakPolarHBondContact O-CB 3.48Å; L31-D35 PolarHBondContact O-N 3.09Å; Q32-D35 PolarHBondContact O-N 2.98Å; I33-D35 VanDerWaalsContact C-N 3.33Å; I33-D35 PolarHBondContact O-N 2.97Å; D35-L37 VanDerWaalsContact C-N 3.35Å; D35-L38 PolarHBondContact O-N 3.35Å; D35-Y39 WeakPolarHBondContact O-CB 3.36Å; D35-Y39 PolarHBondContact O-N 3.5Å; D35-R121 IonicContact OD1-CZ 2.68Å; D35-R121 IonicContact OD1-NH1 2.87Å; D35-R121 PolarHBondContact OD1-NH1 3.17Å; D35-R121 IonicContact OD1-NH2 3.3Å; D35-R121 PolarHBondContact OD1-NH2 3.47Å; D35-R121 IonicContact OD2-CZ 3.49Å; D35-R121 VanDerWaalsContact OD2-CZ 3.32Å; D35-R121 IonicContact OD2-NH1 3.48Å; D35-R121 PolarHBondContact OD2-NH1 3.39Å; D35-R121 IonicContact OD2-NH2 3.64Å
36S89.9Confident90Very high18 Ų1867.1 Ų67.113%0.12635%0.353CS..Hα-helixtrans-64-37.4174.7-70.40000112.4P18 Q32 I33 Y39 L40P18-S36 PolarHBondContact O-OG 3.25Å; Q32-S36 VanDerWaalsContact O-CB 3.32Å; Q32-S36 WeakPolarHBondContact O-CB 3.48Å; Q32-S36 PolarHBondContact O-N 3.32Å; Q32-S36 PolarHBondContact O-OG 2.91Å; Q32-S36 VanDerWaalsContact O-OG 3.11Å; I33-S36 PolarHBondContact O-N 3.05Å; S36-Y39 WeakPolarHBondContact O-CB 3.4Å; S36-Y39 PolarHBondContact O-N 2.83Å; S36-L40 WeakPolarHBondContact O-CB 3.33Å; S36-L40 PolarHBondContact O-N 2.85Å
37L91.8Very high90.4Very high106 Ų10659.8 Ų59.856%0.55533%0.329SS*.Hα-helixtrans-69.1-45.5176.5-72.2174.7000111.7I33 A34 D35 Y39 L40 E41I33-L37 HydrophobicContact CG2-CD1 3.86Å; I33-L37 HydrophobicContact CG2-CG 4.3Å; I33-L37 WeakPolarHBondContact O-CB 3.36Å; I33-L37 VanDerWaalsContact O-CG 3.25Å; I33-L37 WeakPolarHBondContact O-CG 3.5Å; I33-L37 PolarHBondContact O-N 3.21Å; A34-L37 PolarHBondContact O-N 2.8Å; D35-L37 VanDerWaalsContact C-N 3.35Å; L37-Y39 VanDerWaalsContact C-N 3.25Å; L37-Y39 PolarHBondContact O-N 3.11Å; L37-L40 WeakPolarHBondContact O-CB 3.46Å; L37-L40 PolarHBondContact O-N 2.85Å; L37-E41 PolarHBondContact O-N 3.44Å
38L90.1Very high90.9Very high99 Ų9962.2 Ų62.252%0.51834%0.338SS..Hα-helixtrans-60.8-40.1174.9-176.268.4000110.9A34 D35 L40 E41 V42A34-L38 WeakPolarHBondContact O-CB 3.34Å; A34-L38 PolarHBondContact O-N 3.37Å; D35-L38 PolarHBondContact O-N 3.35Å; L38-L40 VanDerWaalsContact C-N 3.35Å; L38-E41 WeakPolarHBondContact O-CB 3.47Å; L38-E41 PolarHBondContact O-N 3.25Å; L38-V42 WeakPolarHBondContact O-CG2 3.43Å; L38-V42 PolarHBondContact O-N 2.69Å
39Y90.1Very high91.3Very high14 Ų1465.1 Ų65.16%0.05535%0.347CS..Hα-helixtrans-61.4-43.9175.8-169.4-99.5000112.4S16 V17 P18 D35 S36 L37 V42 I43 D112 P113 S114S16-Y39 WeakPolarHBondContact O-CE1 3.46Å; S16-Y39 PolarHBondContact O-OH 3.19Å; V17-Y39 HydrophobicContact CB-CD1 4.4Å; V17-Y39 HydrophobicContact CG1-CD1 4.32Å; V17-Y39 HydrophobicContact CG2-CD1 4.25Å; V17-Y39 HydrophobicContact CG2-CE1 4.34Å; P18-Y39 VanDerWaalsContact CD-CD1 3.42Å; P18-Y39 HydrophobicContact CG-CD1 4.4Å; D35-Y39 WeakPolarHBondContact O-CB 3.36Å; D35-Y39 PolarHBondContact O-N 3.5Å; S36-Y39 WeakPolarHBondContact O-CB 3.4Å; S36-Y39 PolarHBondContact O-N 2.83Å; L37-Y39 VanDerWaalsContact C-N 3.25Å; L37-Y39 PolarHBondContact O-N 3.11Å; Y39-V42 PolarHBondContact O-N 3.44Å; Y39-I43 HydrophobicContact CD1-CD1 3.5Å; Y39-I43 VanDerWaalsContact CD1-CD1 3.5Å; Y39-I43 HydrophobicContact CD1-CG1 4.43Å; Y39-I43 HydrophobicContact CE1-CD1 2.99Å; Y39-I43 HydrophobicContact CE1-CG1 4.09Å; Y39-I43 HydrophobicContact CG-CD1 4.44Å; Y39-I43 WeakPolarHBondContact O-CG1 3.46Å; Y39-I43 PolarHBondContact O-N 3.44Å; Y39-D112 PolarHBondContact OH-OD1 3.42Å; Y39-D112 PolarHBondContact OH-OD2 3.46Å; Y39-P113 HydrophobicContact CD2-CB 4.17Å; Y39-P113 HydrophobicContact CD2-CG 4.13Å; Y39-P113 HydrophobicContact CE1-CG 4.49Å; Y39-P113 HydrophobicContact CE2-CB 3.46Å; Y39-P113 VanDerWaalsContact CE2-CB 3.46Å; Y39-P113 HydrophobicContact CE2-CG 3.39Å; Y39-P113 VanDerWaalsContact OH-CD 3.25Å; Y39-P113 WeakPolarHBondContact OH-CD 3.49Å; Y39-P113 WeakPolarHBondContact OH-CG 3.46Å; Y39-S114 VanDerWaalsContact CE2-N 3.26Å; Y39-S114 VanDerWaalsContact OH-CB 3.23Å; Y39-S114 WeakPolarHBondContact OH-CB 3.13Å; Y39-S114 PolarHBondContact OH-N 3.26Å
40L91.6Very high91.6Very high92 Ų9266.2 Ų66.248%0.48235%0.346SS..Hα-helixtrans-63.6-41175.9-174.8150.8000111.5S36 L37 L38 I43 S44S36-L40 WeakPolarHBondContact O-CB 3.33Å; S36-L40 PolarHBondContact O-N 2.85Å; L37-L40 WeakPolarHBondContact O-CB 3.46Å; L37-L40 PolarHBondContact O-N 2.85Å; L38-L40 VanDerWaalsContact C-N 3.35Å; L40-I43 PolarHBondContact O-N 2.97Å; L40-S44 WeakPolarHBondContact O-CB 3.46Å; L40-S44 PolarHBondContact O-N 3.24Å
41E92.9Very high91.8Very high118 Ų11864.9 Ų64.955%0.55134%0.338SS*.Hα-helixtrans-60.2-46.3176.1-178.2-179.1-169.700111.9L37 L38 S44 T45L37-E41 PolarHBondContact O-N 3.44Å; L38-E41 WeakPolarHBondContact O-CB 3.47Å; L38-E41 PolarHBondContact O-N 3.25Å; E41-S44 PolarHBondContact O-N 3.01Å; E41-T45 WeakPolarHBondContact O-CB 3.49Å; E41-T45 PolarHBondContact O-N 3.5Å; E41-T45 PolarHBondContact O-OG1 2.87Å
42V92.1Very high92.2Very high75 Ų7565.2 Ų65.246%0.45535%0.345SS..Hα-helixtrans-62.2-47.4177.9171.80000111L38 Y39 T45 D46 P113L38-V42 WeakPolarHBondContact O-CG2 3.43Å; L38-V42 PolarHBondContact O-N 2.69Å; Y39-V42 PolarHBondContact O-N 3.44Å; V42-T45 PolarHBondContact O-N 3.48Å; V42-D46 PolarHBondContact O-N 2.97Å; V42-P113 HydrophobicContact CG1-CG 4.25Å
43I92.3Very high92.6Very high11 Ų1166.8 Ų66.86%0.05635%0.353CS..Hα-helixtrans-61.6-47.5177-73.5170.5000110.8Y15 V17 Y39 L40 T45 D46 I47 P113Y15-I43 HydrophobicContact CD1-CB 4.5Å; Y15-I43 HydrophobicContact CD1-CD1 4.32Å; Y15-I43 HydrophobicContact CD1-CG1 3.88Å; Y15-I43 HydrophobicContact CD1-CG2 4.02Å; Y15-I43 HydrophobicContact CD2-CG2 4.14Å; Y15-I43 HydrophobicContact CG-CD1 4.43Å; Y15-I43 HydrophobicContact CG-CG1 4.3Å; Y15-I43 HydrophobicContact CG-CG2 3.77Å; V17-I43 HydrophobicContact CG2-CD1 4Å; Y39-I43 HydrophobicContact CD1-CD1 3.5Å; Y39-I43 VanDerWaalsContact CD1-CD1 3.5Å; Y39-I43 HydrophobicContact CD1-CG1 4.43Å; Y39-I43 HydrophobicContact CE1-CD1 2.99Å; Y39-I43 HydrophobicContact CE1-CG1 4.09Å; Y39-I43 HydrophobicContact CG-CD1 4.44Å; Y39-I43 WeakPolarHBondContact O-CG1 3.46Å; Y39-I43 PolarHBondContact O-N 3.44Å; L40-I43 PolarHBondContact O-N 2.97Å; I43-T45 VanDerWaalsContact C-N 3.31Å; I43-T45 PolarHBondContact O-N 3.29Å; I43-D46 PolarHBondContact O-N 3.47Å; I43-I47 HydrophobicContact CG2-CD1 3.49Å; I43-I47 VanDerWaalsContact CG2-CD1 3.49Å; I43-I47 HydrophobicContact CG2-CG1 4.12Å; I43-I47 VanDerWaalsContact O-CG1 3.27Å; I43-I47 WeakPolarHBondContact O-CG1 3.39Å; I43-I47 PolarHBondContact O-N 3.3Å; I43-P113 HydrophobicContact CD1-CG 4.34Å; I43-P113 HydrophobicContact CG1-CG 3.82Å
44S93.2Very high92.8Very high41 Ų4164.7 Ų64.729%0.28735%0.345SS..Hα-helixtrans-57.3-47.4-179.3-179.70000110.7L40 E41 D46 I47 F48L40-S44 WeakPolarHBondContact O-CB 3.46Å; L40-S44 PolarHBondContact O-N 3.24Å; E41-S44 PolarHBondContact O-N 3.01Å; S44-D46 PolarHBondContact O-N 3.34Å; S44-I47 PolarHBondContact O-N 3.31Å; S44-F48 WeakPolarHBondContact O-CD2 3.45Å; S44-F48 PolarHBondContact O-N 2.94Å; S44-F48 WeakPolarHBondContact OG-CD2 3.32Å; S44-F48 VanDerWaalsContact OG-CE2 3.29Å; S44-F48 WeakPolarHBondContact OG-CE2 3.43Å
45T94.1Very high93.2Very high87 Ų8766.7 Ų66.753%0.53435%0.352SS..Hα-helixtrans-63.6-41178.6-57.60000111.6E41 V42 I43 R49E41-T45 WeakPolarHBondContact O-CB 3.49Å; E41-T45 PolarHBondContact O-N 3.5Å; E41-T45 PolarHBondContact O-OG1 2.87Å; V42-T45 PolarHBondContact O-N 3.48Å; I43-T45 VanDerWaalsContact C-N 3.31Å; I43-T45 PolarHBondContact O-N 3.29Å; T45-R49 WeakPolarHBondContact O-CB 3.42Å; T45-R49 PolarHBondContact O-N 3.23Å
46D92.8Very high93.6Very high33 Ų3370 Ų7018%0.17637%0.367CS..Hα-helixtrans-65.1-42.1175.8-167.551000112.3Y15 V42 I43 S44 R49 R50Y15-D46 PolarHBondContact OH-OD2 2.95Å; V42-D46 PolarHBondContact O-N 2.97Å; I43-D46 PolarHBondContact O-N 3.47Å; S44-D46 PolarHBondContact O-N 3.34Å; D46-R49 PolarHBondContact O-N 3.44Å; D46-R49 IonicContact OD1-CZ 2.74Å; D46-R49 IonicContact OD1-NE 3.93Å; D46-R49 PolarHBondContact OD1-NE 2.91Å; D46-R49 IonicContact OD1-NH2 3.66Å; D46-R49 PolarHBondContact OD1-NH2 2.86Å; D46-R50 VanDerWaalsContact O-CG 3.29Å; D46-R50 WeakPolarHBondContact O-CG 3.33Å; D46-R50 PolarHBondContact O-N 3.15Å; D46-R50 IonicContact OD1-NE 3.97Å; D46-R50 PolarHBondContact OD1-NE 2.91Å; D46-R50 IonicContact OD1-NH2 2.69Å; D46-R50 IonicContact OD2-CZ 2.84Å; D46-R50 IonicContact OD2-NE 3.51Å; D46-R50 PolarHBondContact OD2-NE 3.2Å; D46-R50 IonicContact OD2-NH2 3.77Å
47I93.4Very high93.9Very high51 Ų5175 Ų7526%0.26239%0.386SS..Hα-helixtrans-60.6-53176-68.5169.3000110Y15 I43 S44 R49 R50 V51 F107Y15-I47 HydrophobicContact CD2-CD1 4.12Å; Y15-I47 HydrophobicContact CD2-CG1 4.14Å; Y15-I47 HydrophobicContact CE2-CD1 4.18Å; Y15-I47 HydrophobicContact CE2-CG1 3.68Å; I43-I47 HydrophobicContact CG2-CD1 3.49Å; I43-I47 VanDerWaalsContact CG2-CD1 3.49Å; I43-I47 HydrophobicContact CG2-CG1 4.12Å; I43-I47 VanDerWaalsContact O-CG1 3.27Å; I43-I47 WeakPolarHBondContact O-CG1 3.39Å; I43-I47 PolarHBondContact O-N 3.3Å; S44-I47 PolarHBondContact O-N 3.31Å; I47-R49 VanDerWaalsContact C-N 3.3Å; I47-R49 PolarHBondContact O-N 3.45Å; I47-R50 PolarHBondContact O-N 2.93Å; I47-V51 HydrophobicContact CG2-CG2 4.33Å; I47-V51 VanDerWaalsContact O-CG2 3.31Å; I47-V51 WeakPolarHBondContact O-CG2 3.41Å; I47-V51 PolarHBondContact O-N 2.84Å; I47-F107 HydrophobicContact CB-CE1 4.33Å; I47-F107 HydrophobicContact CG1-CE1 3.91Å; I47-F107 HydrophobicContact CG1-CZ 4.47Å; I47-F107 HydrophobicContact CG2-CE1 4.15Å; I47-F107 HydrophobicContact CG2-CZ 4.12Å
48F95.3Very high94.1Very high133 Ų13373.5 Ų73.558%0.58338%0.379SS*.Hα-helixtrans-63-37.7-178.5-77.3-61.8000112.2S44 V51 S52S44-F48 WeakPolarHBondContact O-CD2 3.45Å; S44-F48 PolarHBondContact O-N 2.94Å; S44-F48 WeakPolarHBondContact OG-CD2 3.32Å; S44-F48 VanDerWaalsContact OG-CE2 3.29Å; S44-F48 WeakPolarHBondContact OG-CE2 3.43Å; F48-V51 PolarHBondContact O-N 2.97Å; F48-S52 VanDerWaalsContact O-CB 3.3Å; F48-S52 WeakPolarHBondContact O-CB 3.39Å; F48-S52 PolarHBondContact O-N 2.88Å; F48-S52 PolarHBondContact O-OG 3.14Å
49R94.6Very high94.4Very high106 Ų10676.8 Ų76.840%0.438%0.384SS..Hα-helixtrans-60.1-50.5174.2-176.4-174.764.279.4-0.1111.4T45 D46 I47 V51 S52 E53T45-R49 WeakPolarHBondContact O-CB 3.42Å; T45-R49 PolarHBondContact O-N 3.23Å; D46-R49 PolarHBondContact O-N 3.44Å; D46-R49 IonicContact OD1-CZ 2.74Å; D46-R49 IonicContact OD1-NE 3.93Å; D46-R49 PolarHBondContact OD1-NE 2.91Å; D46-R49 IonicContact OD1-NH2 3.66Å; D46-R49 PolarHBondContact OD1-NH2 2.86Å; I47-R49 VanDerWaalsContact C-N 3.3Å; I47-R49 PolarHBondContact O-N 3.45Å; R49-V51 PolarHBondContact O-N 3.36Å; R49-S52 WeakPolarHBondContact O-CB 3.41Å; R49-S52 PolarHBondContact O-N 3.24Å; R49-E53 WeakPolarHBondContact CG-OE1 3.31Å; R49-E53 IonicContact CZ-OE1 2.76Å; R49-E53 VanDerWaalsContact NH1-CD 3.34Å; R49-E53 IonicContact NH1-OE1 3.34Å; R49-E53 PolarHBondContact NH1-OE1 2.74Å; R49-E53 IonicContact NH1-OE2 3.59Å; R49-E53 PolarHBondContact NH1-OE2 3.43Å; R49-E53 WeakPolarHBondContact O-CG 3.47Å; R49-E53 PolarHBondContact O-N 3.48Å
50R94.2Very high94.8Very high45 Ų4583 Ų8317%0.1741%0.408CS..Hα-helixtrans-63.1-41.2179.4-71170.7-177.2-86.3-3.6112.9Y15 D46 I47 S52 E53 S54Y15-R50 PolarHBondContact OH-NE 3.48Å; D46-R50 VanDerWaalsContact O-CG 3.29Å; D46-R50 WeakPolarHBondContact O-CG 3.33Å; D46-R50 PolarHBondContact O-N 3.15Å; D46-R50 IonicContact OD1-NE 3.97Å; D46-R50 PolarHBondContact OD1-NE 2.91Å; D46-R50 IonicContact OD1-NH2 2.69Å; D46-R50 IonicContact OD2-CZ 2.84Å; D46-R50 IonicContact OD2-NE 3.51Å; D46-R50 PolarHBondContact OD2-NE 3.2Å; D46-R50 IonicContact OD2-NH2 3.77Å; I47-R50 PolarHBondContact O-N 2.93Å; R50-S52 VanDerWaalsContact C-N 3.33Å; R50-E53 PolarHBondContact O-N 3.46Å; R50-S54 WeakPolarHBondContact O-CB 3.41Å; R50-S54 PolarHBondContact O-N 3.3Å
51V95.6Very high95Very high57 Ų5783.7 Ų83.735%0.34541%0.408SS..Hα-helixtrans-62-45.2175.1172.10000109.8I47 F48 R49 S54 V55 I106I47-V51 HydrophobicContact CG2-CG2 4.33Å; I47-V51 VanDerWaalsContact O-CG2 3.31Å; I47-V51 WeakPolarHBondContact O-CG2 3.41Å; I47-V51 PolarHBondContact O-N 2.84Å; F48-V51 PolarHBondContact O-N 2.97Å; R49-V51 PolarHBondContact O-N 3.36Å; V51-S54 WeakPolarHBondContact O-CB 3.21Å; V51-S54 PolarHBondContact O-N 3.31Å; V51-V55 HydrophobicContact CG1-CG2 4.41Å; V51-V55 VanDerWaalsContact O-CG2 3.31Å; V51-V55 WeakPolarHBondContact O-CG2 3.29Å; V51-V55 PolarHBondContact O-N 3.27Å; V51-I106 HydrophobicContact CG2-CD1 3.74Å
52S96.6Very high95.3Very high63 Ų6384 Ų8444%0.44141%0.413SS..Hα-helixtrans-61.9-46.5178.8-580000111.8F48 R49 R50 S54 V55 E56F48-S52 VanDerWaalsContact O-CB 3.3Å; F48-S52 WeakPolarHBondContact O-CB 3.39Å; F48-S52 PolarHBondContact O-N 2.88Å; F48-S52 PolarHBondContact O-OG 3.14Å; R49-S52 WeakPolarHBondContact O-CB 3.41Å; R49-S52 PolarHBondContact O-N 3.24Å; R50-S52 VanDerWaalsContact C-N 3.33Å; S52-S54 VanDerWaalsContact C-N 3.3Å; S52-S54 PolarHBondContact O-N 3.47Å; S52-V55 PolarHBondContact O-N 3.25Å; S52-E56 WeakPolarHBondContact O-CG 3.3Å; S52-E56 PolarHBondContact O-N 3Å
53E96Very high95.6Very high96 Ų9684.9 Ų84.945%0.44941%0.412SS..Hα-helixtrans-58.8-40.8175.6-73.8170.4-171.400112.2R49 R50 E56 K57R49-E53 WeakPolarHBondContact CG-OE1 3.31Å; R49-E53 IonicContact CZ-OE1 2.76Å; R49-E53 VanDerWaalsContact NH1-CD 3.34Å; R49-E53 IonicContact NH1-OE1 3.34Å; R49-E53 PolarHBondContact NH1-OE1 2.74Å; R49-E53 IonicContact NH1-OE2 3.59Å; R49-E53 PolarHBondContact NH1-OE2 3.43Å; R49-E53 WeakPolarHBondContact O-CG 3.47Å; R49-E53 PolarHBondContact O-N 3.48Å; R50-E53 PolarHBondContact O-N 3.46Å; E53-E56 PolarHBondContact O-N 3.34Å; E53-K57 WeakPolarHBondContact O-CB 3.33Å; E53-K57 PolarHBondContact O-N 3.3Å
54S94.9Very high95.8Very high36 Ų3687.5 Ų87.525%0.25243%0.432SS..Hα-helixtrans-65.6-44.2176.1-174.70000112.1R50 V51 S52 E56 K57 N58R50-S54 WeakPolarHBondContact O-CB 3.41Å; R50-S54 PolarHBondContact O-N 3.3Å; V51-S54 WeakPolarHBondContact O-CB 3.21Å; V51-S54 PolarHBondContact O-N 3.31Å; S52-S54 VanDerWaalsContact C-N 3.3Å; S52-S54 PolarHBondContact O-N 3.47Å; S54-E56 VanDerWaalsContact C-N 3.34Å; S54-E56 PolarHBondContact O-N 2.91Å; S54-K57 PolarHBondContact O-N 3.25Å; S54-N58 VanDerWaalsContact O-CG 3.31Å; S54-N58 PolarHBondContact O-N 2.68Å; S54-N58 PolarHBondContact O-ND2 3.33Å
55V97.1Very high96Very high90 Ų9088.8 Ų88.855%0.54544%0.438SS..Hα-helixtrans-61.3-43.4176170.70000110.9V51 S52 N58 R59V51-V55 HydrophobicContact CG1-CG2 4.41Å; V51-V55 VanDerWaalsContact O-CG2 3.31Å; V51-V55 WeakPolarHBondContact O-CG2 3.29Å; V51-V55 PolarHBondContact O-N 3.27Å; S52-V55 PolarHBondContact O-N 3.25Å; V55-N58 PolarHBondContact O-N 3.48Å; V55-R59 WeakPolarHBondContact O-CB 3.47Å; V55-R59 PolarHBondContact O-N 3.49Å
56E97.3Very high96.2Very high100 Ų10087 Ų8747%0.46743%0.429SS..Hα-helixtrans-63-43.7175.9-74.8-175.1-16600112.7S52 E53 S54 N58 R59 R60S52-E56 WeakPolarHBondContact O-CG 3.3Å; S52-E56 PolarHBondContact O-N 3Å; E53-E56 PolarHBondContact O-N 3.34Å; S54-E56 VanDerWaalsContact C-N 3.34Å; S54-E56 PolarHBondContact O-N 2.91Å; E56-N58 VanDerWaalsContact C-N 3.31Å; E56-N58 PolarHBondContact O-N 3Å; E56-R59 WeakPolarHBondContact O-CB 3.48Å; E56-R59 PolarHBondContact O-N 3.41Å; E56-R60 WeakPolarHBondContact O-CG 3.32Å; E56-R60 PolarHBondContact O-N 2.66Å; E56-R60 IonicContact OE2-NH2 3.04Å; E56-R60 PolarHBondContact OE2-NH2 3.29Å
57K95.7Very high96.4Very high122 Ų12289.5 Ų89.553%0.5344%0.442SS..Hα-helixtrans-57.9-46.4175.7-177.2-178.5177.5-177.10110.8E53 S54 R60 Q61E53-K57 WeakPolarHBondContact O-CB 3.33Å; E53-K57 PolarHBondContact O-N 3.3Å; S54-K57 PolarHBondContact O-N 3.25Å; K57-R60 PolarHBondContact O-N 3.02Å; K57-Q61 WeakPolarHBondContact O-CG 3.47Å; K57-Q61 PolarHBondContact O-N 3.46Å
58N95.8Very high96.6Very high75 Ų7595.6 Ų95.640%0.40146%0.462SS..Hα-helixtrans-65.6-38.7177.9-68.8-16.3000111.8S54 V55 E56 R60 Q61 L62S54-N58 VanDerWaalsContact O-CG 3.31Å; S54-N58 PolarHBondContact O-N 2.68Å; S54-N58 PolarHBondContact O-ND2 3.33Å; V55-N58 PolarHBondContact O-N 3.48Å; E56-N58 VanDerWaalsContact C-N 3.31Å; E56-N58 PolarHBondContact O-N 3Å; N58-R60 PolarHBondContact O-N 3.36Å; N58-Q61 WeakPolarHBondContact O-CB 3.39Å; N58-Q61 PolarHBondContact O-N 2.9Å; N58-L62 WeakPolarHBondContact O-CG 3.29Å; N58-L62 PolarHBondContact O-N 3.25Å
59R97.8Very high96.7Very high167 Ų16794.2 Ų94.263%0.6346%0.46SS*.Hα-helixtrans-60.4-44.5174.1-178.5178.1171.8142.4-2.6111.7V55 E56 Q61 L62 Q63V55-R59 WeakPolarHBondContact O-CB 3.47Å; V55-R59 PolarHBondContact O-N 3.49Å; E56-R59 WeakPolarHBondContact O-CB 3.48Å; E56-R59 PolarHBondContact O-N 3.41Å; R59-Q61 VanDerWaalsContact C-N 3.33Å; R59-Q61 PolarHBondContact O-N 2.7Å; R59-L62 PolarHBondContact O-N 3.21Å; R59-Q63 WeakPolarHBondContact O-CG 3.14Å; R59-Q63 PolarHBondContact O-N 2.91Å
60R97.9Very high96.9Very high146 Ų14697 Ų9755%0.55147%0.47SS*.Hα-helixtrans-63.2-39.8175.9-66.7176-145.7145.55.3111.6E56 K57 N58 Q63 S64E56-R60 WeakPolarHBondContact O-CG 3.32Å; E56-R60 PolarHBondContact O-N 2.66Å; E56-R60 IonicContact OE2-NH2 3.04Å; E56-R60 PolarHBondContact OE2-NH2 3.29Å; K57-R60 PolarHBondContact O-N 3.02Å; N58-R60 PolarHBondContact O-N 3.36Å; R60-Q63 PolarHBondContact O-N 3.21Å; R60-S64 PolarHBondContact O-N 3.47Å
61Q96.3Very high97Very high105 Ų10599.6 Ų99.649%0.49149%0.487SS..Hα-helixtrans-62.2-45.8174.2-71.7178.5-5.100111.8K57 N58 R59 Q63 S64 V65K57-Q61 WeakPolarHBondContact O-CG 3.47Å; K57-Q61 PolarHBondContact O-N 3.46Å; N58-Q61 WeakPolarHBondContact O-CB 3.39Å; N58-Q61 PolarHBondContact O-N 2.9Å; R59-Q61 VanDerWaalsContact C-N 3.33Å; R59-Q61 PolarHBondContact O-N 2.7Å; Q61-Q63 VanDerWaalsContact C-N 3.33Å; Q61-Q63 PolarHBondContact O-N 2.9Å; Q61-S64 WeakPolarHBondContact O-CB 3.21Å; Q61-S64 PolarHBondContact O-N 3.32Å; Q61-V65 WeakPolarHBondContact O-CG2 3.31Å; Q61-V65 PolarHBondContact O-N 3.34Å
62L97.8Very high97Very high125 Ų12599.3 Ų99.365%0.65449%0.49SS*.Hα-helixtrans-62-39.5176.1-75.2170.9000112.3N58 R59 V65 S66N58-L62 WeakPolarHBondContact O-CG 3.29Å; N58-L62 PolarHBondContact O-N 3.25Å; R59-L62 PolarHBondContact O-N 3.21Å; L62-V65 PolarHBondContact O-N 3.41Å; L62-S66 WeakPolarHBondContact O-CB 3.32Å; L62-S66 PolarHBondContact O-N 3.1Å
63Q98.1Very high97Very high93 Ų93100.9 Ų100.944%0.43549%0.491SS..Hα-helixtrans-61-48.3173.9-74.7172.6-16.900111.2R59 R60 Q61 V65 S66 D67R59-Q63 WeakPolarHBondContact O-CG 3.14Å; R59-Q63 PolarHBondContact O-N 2.91Å; R60-Q63 PolarHBondContact O-N 3.21Å; Q61-Q63 VanDerWaalsContact C-N 3.33Å; Q61-Q63 PolarHBondContact O-N 2.9Å; Q63-V65 VanDerWaalsContact C-N 3.3Å; Q63-V65 PolarHBondContact O-N 2.82Å; Q63-S66 WeakPolarHBondContact O-CB 3.47Å; Q63-S66 PolarHBondContact O-N 2.96Å; Q63-S66 VanDerWaalsContact O-N 3.11Å; Q63-D67 VanDerWaalsContact O-CG 3.31Å; Q63-D67 PolarHBondContact O-N 2.9Å
64S98Very high96.9Very high67 Ų6799 Ų9947%0.46949%0.492SS..Hα-helixtrans-57.6-41.8176.1-178.90000112.5R60 Q61 R68R60-S64 PolarHBondContact O-N 3.47Å; Q61-S64 WeakPolarHBondContact O-CB 3.21Å; Q61-S64 PolarHBondContact O-N 3.32Å; S64-R68 VanDerWaalsContact O-CG 3.27Å; S64-R68 WeakPolarHBondContact O-CG 3.42Å; S64-R68 PolarHBondContact O-N 3.02Å
65V97Very high96.8Very high68 Ų68105.1 Ų105.141%0.41251%0.509SS..Hα-helixtrans-66.3-44.2175.7173.30000111.1Q61 L62 Q63 D67 R68 I69Q61-V65 WeakPolarHBondContact O-CG2 3.31Å; Q61-V65 PolarHBondContact O-N 3.34Å; L62-V65 PolarHBondContact O-N 3.41Å; Q63-V65 VanDerWaalsContact C-N 3.3Å; Q63-V65 PolarHBondContact O-N 2.82Å; V65-D67 VanDerWaalsContact C-N 3.33Å; V65-D67 PolarHBondContact O-N 3.41Å; V65-R68 WeakPolarHBondContact O-CB 3.43Å; V65-R68 PolarHBondContact O-N 3.43Å; V65-I69 HydrophobicContact CG1-CD1 3.84Å; V65-I69 HydrophobicContact CG1-CG1 4.45Å; V65-I69 VanDerWaalsContact O-CG1 3.29Å; V65-I69 WeakPolarHBondContact O-CG1 3.43Å; V65-I69 PolarHBondContact O-N 2.91Å
66S98Very high96.7Very high49 Ų49104.6 Ų104.634%0.34351%0.507SS..Hα-helixtrans-60.2-42.8177.2-167.60000111.8L62 Q63 R68 I69 R70L62-S66 WeakPolarHBondContact O-CB 3.32Å; L62-S66 PolarHBondContact O-N 3.1Å; Q63-S66 WeakPolarHBondContact O-CB 3.47Å; Q63-S66 PolarHBondContact O-N 2.96Å; Q63-S66 VanDerWaalsContact O-N 3.11Å; S66-R68 PolarHBondContact O-N 2.83Å; S66-I69 WeakPolarHBondContact O-CB 3.31Å; S66-I69 PolarHBondContact O-N 3.47Å; S66-R70 WeakPolarHBondContact O-CG 3.38Å; S66-R70 PolarHBondContact O-N 3.43Å
67D98.1Very high96.6Very high86 Ų86103.4 Ų103.446%0.4650%0.503SS..Hα-helixtrans-66.4-38.7177.8-67.6-25.8000111.8Q63 V65 I69 R70 L71Q63-D67 VanDerWaalsContact O-CG 3.31Å; Q63-D67 PolarHBondContact O-N 2.9Å; V65-D67 VanDerWaalsContact C-N 3.33Å; V65-D67 PolarHBondContact O-N 3.41Å; D67-I69 VanDerWaalsContact C-N 3.35Å; D67-R70 PolarHBondContact O-N 3.26Å; D67-R70 IonicContact OD1-NH1 3.12Å; D67-R70 PolarHBondContact OD1-NH1 2.85Å; D67-L71 WeakPolarHBondContact O-CB 3.49Å; D67-L71 PolarHBondContact O-N 2.97Å
68R96.7Very high96.4Very high178 Ų178106.3 Ų106.367%0.67252%0.516SS*.Hα-helixtrans-62.7-41172-7417060.3-164.5-2112.1S64 V65 S66 L71 A72S64-R68 VanDerWaalsContact O-CG 3.27Å; S64-R68 WeakPolarHBondContact O-CG 3.42Å; S64-R68 PolarHBondContact O-N 3.02Å; V65-R68 WeakPolarHBondContact O-CB 3.43Å; V65-R68 PolarHBondContact O-N 3.43Å; S66-R68 PolarHBondContact O-N 2.83Å; R68-L71 PolarHBondContact O-N 3.43Å; R68-A72 WeakPolarHBondContact O-CB 3.39Å; R68-A72 PolarHBondContact O-N 3.1Å
69I97.3Very high96.1Very high105 Ų105107 Ų10754%0.53852%0.518SS..Hα-helixtrans-64.1-44.7175.8-68.9165.7000110.1V65 S66 D67 L71 A72 Q73V65-I69 HydrophobicContact CG1-CD1 3.84Å; V65-I69 HydrophobicContact CG1-CG1 4.45Å; V65-I69 VanDerWaalsContact O-CG1 3.29Å; V65-I69 WeakPolarHBondContact O-CG1 3.43Å; V65-I69 PolarHBondContact O-N 2.91Å; S66-I69 WeakPolarHBondContact O-CB 3.31Å; S66-I69 PolarHBondContact O-N 3.47Å; D67-I69 VanDerWaalsContact C-N 3.35Å; I69-L71 PolarHBondContact O-N 3.31Å; I69-A72 PolarHBondContact O-N 3.48Å; I69-Q73 WeakPolarHBondContact O-CB 3.37Å; I69-Q73 PolarHBondContact O-N 3.32Å
70R98.1Very high95.7Very high165 Ų165106.6 Ų106.662%0.62352%0.521SS*.Hα-helixtrans-59.7-43.9176.2-73.2170.2177.6168.9-5.8112.1S66 D67 Q73 A74S66-R70 WeakPolarHBondContact O-CG 3.38Å; S66-R70 PolarHBondContact O-N 3.43Å; D67-R70 PolarHBondContact O-N 3.26Å; D67-R70 IonicContact OD1-NH1 3.12Å; D67-R70 PolarHBondContact OD1-NH1 2.85Å; R70-Q73 PolarHBondContact O-N 3.25Å; R70-A74 WeakPolarHBondContact O-CB 3.43Å; R70-A74 PolarHBondContact O-N 3.32Å
71L96.8Very high95.2Very high98 Ų98103.2 Ų103.251%0.51353%0.532SS..Hα-helixtrans-63.9-42.9176.7-177.166.4000111.6D67 R68 I69 A74 R75D67-L71 WeakPolarHBondContact O-CB 3.49Å; D67-L71 PolarHBondContact O-N 2.97Å; R68-L71 PolarHBondContact O-N 3.43Å; I69-L71 PolarHBondContact O-N 3.31Å; L71-A74 PolarHBondContact O-N 3.21Å; L71-R75 WeakPolarHBondContact O-CG 3.48Å; L71-R75 PolarHBondContact O-N 3.27Å; L71-R75 VanDerWaalsContact O-N 3.08Å
72A95.1Very high94.7Very high51 Ų51101 Ų10142%0.42153%0.528SS..Hα-helixtrans-62.6-43.7175.600000111.2R68 I69 A74 R75 V76R68-A72 WeakPolarHBondContact O-CB 3.39Å; R68-A72 PolarHBondContact O-N 3.1Å; I69-A72 PolarHBondContact O-N 3.48Å; A72-A74 PolarHBondContact O-N 3.11Å; A72-R75 WeakPolarHBondContact O-CB 3.16Å; A72-R75 PolarHBondContact O-N 2.63Å; A72-V76 WeakPolarHBondContact O-CG2 3.25Å; A72-V76 PolarHBondContact O-N 3.11Å
73Q96.4Very high94.3Very high96 Ų96105.3 Ų105.345%0.44954%0.542SS..Hα-helixtrans-59.9-47.5176.6-172.958.739.700111.3I69 R70 R75 V76 D77I69-Q73 WeakPolarHBondContact O-CB 3.37Å; I69-Q73 PolarHBondContact O-N 3.32Å; R70-Q73 PolarHBondContact O-N 3.25Å; Q73-R75 VanDerWaalsContact C-N 3.27Å; Q73-R75 PolarHBondContact O-N 3.12Å; Q73-V76 WeakPolarHBondContact O-CB 3.42Å; Q73-V76 PolarHBondContact O-N 3.08Å; Q73-V76 VanDerWaalsContact O-N 3.08Å; Q73-D77 PolarHBondContact NE2-OD1 2.87Å; Q73-D77 VanDerWaalsContact NE2-OD1 3.09Å; Q73-D77 PolarHBondContact NE2-OD2 3.49Å; Q73-D77 VanDerWaalsContact O-CG 3.3Å; Q73-D77 PolarHBondContact O-N 3.25Å
74A95.9Very high93.9Very high58 Ų58109 Ų10948%0.47956%0.557SS.*Hα-helixtrans-60.1-36176.500000112.8R70 L71 A72 K78R70-A74 WeakPolarHBondContact O-CB 3.43Å; R70-A74 PolarHBondContact O-N 3.32Å; L71-A74 PolarHBondContact O-N 3.21Å; A72-A74 PolarHBondContact O-N 3.11Å; A74-K78 PolarHBondContact O-N 2.98Å; A74-K78 VanDerWaalsContact O-N 3.08Å
75R92.8Very high93.4Very high163 Ų163111.3 Ų111.362%0.61558%0.579SS**Hα-helixtrans-68.4-41.2174.1-70.8174.4-177.8-165.11111.9L71 A72 Q73 K78 I79L71-R75 WeakPolarHBondContact O-CG 3.48Å; L71-R75 PolarHBondContact O-N 3.27Å; L71-R75 VanDerWaalsContact O-N 3.08Å; A72-R75 WeakPolarHBondContact O-CB 3.16Å; A72-R75 PolarHBondContact O-N 2.63Å; Q73-R75 VanDerWaalsContact C-N 3.27Å; Q73-R75 PolarHBondContact O-N 3.12Å; R75-K78 PolarHBondContact O-N 3.03Å; R75-I79 WeakPolarHBondContact O-CG1 3.48Å; R75-I79 PolarHBondContact O-N 3.24Å
76V93.3Very high92.9Very high80 Ų80111.9 Ų111.949%0.48558%0.583SS.*Hα-helixtrans-62.9-46.1175.3171.30000110.1A72 Q73 K78 I79 K80A72-V76 WeakPolarHBondContact O-CG2 3.25Å; A72-V76 PolarHBondContact O-N 3.11Å; Q73-V76 WeakPolarHBondContact O-CB 3.42Å; Q73-V76 PolarHBondContact O-N 3.08Å; Q73-V76 VanDerWaalsContact O-N 3.08Å; V76-K78 VanDerWaalsContact C-N 3.26Å; V76-K78 PolarHBondContact O-N 3.01Å; V76-I79 CarbonylContact O-C 3.49Å; V76-I79 PolarHBondContact O-N 2.56Å; V76-K80 WeakPolarHBondContact O-CB 3.23Å; V76-K80 PolarHBondContact O-N 2.99Å
77D94.8Very high92.5Very high75 Ų75117.3 Ų117.340%0.40160%0.601SS.*Hα-helixtrans-63.1-32.5179.5-67.9-31.6000112.2Q73 I79 K80Q73-D77 PolarHBondContact NE2-OD1 2.87Å; Q73-D77 VanDerWaalsContact NE2-OD1 3.09Å; Q73-D77 PolarHBondContact NE2-OD2 3.49Å; Q73-D77 VanDerWaalsContact O-CG 3.3Å; Q73-D77 PolarHBondContact O-N 3.25Å; D77-I79 VanDerWaalsContact C-N 3.33Å; D77-I79 PolarHBondContact O-N 3.38Å; D77-K80 PolarHBondContact O-N 3.34Å
78K91.5Very high92Very high183 Ų183119 Ų11980%0.79661%0.614SS**Hα-helixtrans-66.1-32.8172.2-174.4175.8-179.1177.20113.3A74 R75 V76A74-K78 PolarHBondContact O-N 2.98Å; A74-K78 VanDerWaalsContact O-N 3.08Å; R75-K78 PolarHBondContact O-N 3.03Å; V76-K78 VanDerWaalsContact C-N 3.26Å; V76-K78 PolarHBondContact O-N 3.01Å
79I90.1Very high91.6Very high88 Ų88118.5 Ų118.545%0.45162%0.617SS.*Hα-helixtrans-86.2-30.3179.3-61.7167.3000110.5R75 V76 D77 G81 S82R75-I79 WeakPolarHBondContact O-CG1 3.48Å; R75-I79 PolarHBondContact O-N 3.24Å; V76-I79 CarbonylContact O-C 3.49Å; V76-I79 PolarHBondContact O-N 2.56Å; D77-I79 VanDerWaalsContact C-N 3.33Å; D77-I79 PolarHBondContact O-N 3.38Å; I79-G81 PolarHBondContact O-N 2.93Å; I79-S82 WeakPolarHBondContact O-CB 3.34Å; I79-S82 PolarHBondContact O-N 3.27Å
80K90.3Very high91.1Very high159 Ų159118.7 Ų118.769%0.69163%0.627SS**THydrogen-bonded Turntrans-59.9116.2179.7-172178.7178.8-177.40110.1V76 D77V76-K80 WeakPolarHBondContact O-CB 3.23Å; V76-K80 PolarHBondContact O-N 2.99Å; D77-K80 PolarHBondContact O-N 3.34Å
81G86.8Confident90.7Very high76 Ų76115.1 Ų115.178%0.78463%0.628SS**THydrogen-bonded Turntrans89.7-2.3-17800000115.1I79 K83I79-G81 PolarHBondContact O-N 2.93Å; G81-K83 PolarHBondContact O-N 3.46Å
82S86.7Confident90.1Very high58 Ų58115.8 Ų115.841%0.40665%0.648SS.*  trans-65.2129.2168.7174.80000110.4I79 K84I79-S82 WeakPolarHBondContact O-CB 3.34Å; I79-S82 PolarHBondContact O-N 3.27Å; S82-K84 PolarHBondContact O-N 3.5Å; S82-K84 PolarHBondContact OG-N 2.86Å
83K88.8Confident89.8Confident216 Ų216121.7 Ų121.794%0.93966%0.664SS**  trans-84.15.8174.3-61.1-178.9-178.1179.60113.1G81G81-K83 PolarHBondContact O-N 3.46Å
84K89.9Confident89.2Confident171 Ų171126.7 Ų126.774%0.74368%0.68SS**SBendtrans-93133.3180-64-173.3177.3-176.60110.6S82 T86S82-K84 PolarHBondContact O-N 3.5Å; S82-K84 PolarHBondContact OG-N 2.86Å; K84-T86 PolarHBondContact O-N 3.47Å; K84-T86 PolarHBondContact O-OG1 2.99Å; K84-T86 VanDerWaalsContact O-OG1 3.11Å
85A87.1Confident88.5Confident114 Ų114129.4 Ų129.494%0.94269%0.692SS**  trans-57.9122.8170.500000109.6
86T85.9Confident88Confident80 Ų80124.6 Ų124.649%0.49169%0.688SS.*  trans-123.3120.2-176.7-54.50000108.7K84K84-T86 PolarHBondContact O-N 3.47Å; K84-T86 PolarHBondContact O-OG1 2.99Å; K84-T86 VanDerWaalsContact O-OG1 3.11Å
87K89.9Confident87.6Confident164 Ų164125.4 Ų125.471%0.71369%0.694SS**PPolyproline II helixtrans-92.4121.8176.2-172.4173.7-179.7179.10109.3F89K87-F89 HydrophobicContact CB-CE2 4.47Å; K87-F89 HydrophobicContact CD-CE1 4.11Å; K87-F89 HydrophobicContact CD-CE2 4Å; K87-F89 HydrophobicContact CD-CZ 3.56Å; K87-F89 VanDerWaalsContact CE-CZ 3.48Å; K87-F89 HydrophobicContact CG-CE2 4.03Å; K87-F89 HydrophobicContact CG-CZ 4.04Å
88V87.8Confident87.1Confident122 Ų122130.5 Ų130.574%0.73972%0.722SS**PPolyproline II helixtrans-97.4127.1176-177.60000108.5
89F88.4Confident86.9Confident166 Ų166130.9 Ų130.973%0.72872%0.718SS**PPolyproline II helixtrans-102.9128.5172-64.5-87.7000108.9K87K87-F89 HydrophobicContact CB-CE2 4.47Å; K87-F89 HydrophobicContact CD-CE1 4.11Å; K87-F89 HydrophobicContact CD-CE2 4Å; K87-F89 HydrophobicContact CD-CZ 3.56Å; K87-F89 VanDerWaalsContact CE-CZ 3.48Å; K87-F89 HydrophobicContact CG-CE2 4.03Å; K87-F89 HydrophobicContact CG-CZ 4.04Å
90S87.4Confident86.7Confident109 Ų109133.4 Ų133.476%0.76273%0.732SS**  trans-128.3147.7171.6590000109.5
91S87.9Confident86.4Confident90 Ų90134.1 Ų134.163%0.62974%0.738SS**  trans-60.7140.7164.4163.70000109.5K93S91-K93 PolarHBondContact O-N 2.87Å; S91-K93 PolarHBondContact OG-N 3.44Å; S91-K93 PolarHBondContact OG-O 3.44Å
92A86.1Confident86.4Confident113 Ų113136.9 Ų136.993%0.93474%0.735SS**SBendtrans-72.3-18.3170.600000112.5
93K88.6Confident86.4Confident174 Ų174143.7 Ų143.776%0.75775%0.753SS**SBendtrans-94.8137.3178.9-65.5-175.9178.8-178.20110.9S91S91-K93 PolarHBondContact O-N 2.87Å; S91-K93 PolarHBondContact OG-N 3.44Å; S91-K93 PolarHBondContact OG-O 3.44Å
94Y82.9Confident86.2Confident202 Ų202137.5 Ų137.579%0.79274%0.736SS**  trans-58.8139.4170.4-173.3-94.8000109.8A96Y94-A96 HydrophobicContact CD1-CB 4.27Å; Y94-A96 PolarHBondContact O-N 2.9Å
95P82.2Confident86Confident114 Ų114131.8 Ų131.874%0.7472%0.718SS**  trans-70.982.3175.929.1-33.4000109.8
96A81.9Confident86.2Confident63 Ų63129.2 Ų129.252%0.52169%0.688SS.*  trans-100.3144.7169.400000109.5Y94Y94-A96 HydrophobicContact CD1-CB 4.27Å; Y94-A96 PolarHBondContact O-N 2.9Å
97P84.1Confident86.3Confident96 Ų96128 Ų12862%0.62368%0.676SS**  trans-62.1150.1167-15.629.1000111R99P97-R99 PolarHBondContact O-N 2.93Å
98D84.9Confident85.9Confident182 Ų182124.6 Ų124.697%0.97367%0.669SS**SBendtrans-62.3-25.1178.8-66.1-31.8000113.2
99R87.6Confident85.5Confident191 Ų191122.4 Ų122.472%0.72167%0.671SS**SBendtrans-133.1125.9175.6-174.3175.3175.6-177.3-0.9110.2P97P97-R99 PolarHBondContact O-N 2.93Å
100L85.9Confident85.3Confident142 Ų142115.5 Ų115.574%0.74365%0.645SS**PPolyproline II helixtrans-68.6137.2171.7-63.2175.4000109.4
101Q83.7Confident84.8Confident173 Ų173113.8 Ų113.881%0.80864%0.637SS**PPolyproline II helixtrans-84.6132.3176.4-64.8-67.8-12.400108.9
102D87Confident84.3Confident135 Ų135110.6 Ų110.672%0.72261%0.613SS**PPolyproline II helixtrans-65.9149.5173.7-63.6-35.4000110.2S104D102-S104 PolarHBondContact O-N 2.9Å
103Y86.3Confident83.7Confident201 Ų201106.6 Ų106.679%0.78858%0.578SS**PPolyproline II helixtrans-63.6126.2176176.7-99.4000109.9
104S83.8Confident82.7Confident85 Ų8599.7 Ų99.759%0.59455%0.551SS**  trans-109.1124.3172.544.30000109.4D102D102-S104 PolarHBondContact O-N 2.9Å
105S87.8Confident81.8Confident51 Ų5194 Ų9436%0.35754%0.541SS..  trans-66.6147.3174.11750000110.4F107 T108S105-F107 PolarHBondContact O-N 2.99Å; S105-F107 VanDerWaalsContact O-N 3.11Å; S105-F107 PolarHBondContact OG-N 3.07Å; S105-T108 PolarHBondContact N-OG1 2.81Å; S105-T108 WeakPolarHBondContact O-CB 3.46Å; S105-T108 PolarHBondContact O-N 3.45Å; S105-T108 PolarHBondContact O-OG1 2.61Å
106I89.4Confident81Confident61 Ų6195.6 Ų95.631%0.31354%0.539SS..THydrogen-bonded Turntrans-61.7-16.8172.962.3174.1000112.9V51V51-I106 HydrophobicContact CG2-CD1 3.74Å
107F88.1Confident80Confident53 Ų5399.3 Ų99.323%0.23256%0.555CS.*THydrogen-bonded Turntrans-98.38.8177.8-55.5-68.1000113.4V14 Y15 I47 S105 G109 A110V14-F107 HydrophobicContact CB-CB 4.34Å; V14-F107 HydrophobicContact CG1-CB 4.29Å; V14-F107 HydrophobicContact CG2-CB 3.83Å; Y15-F107 AromaticContact CE2-CD1 3.65Å; Y15-F107 HydrophobicContact CE2-CD1 3.65Å; Y15-F107 AromaticContact CE2-CE1 3.9Å; Y15-F107 HydrophobicContact CE2-CE1 3.9Å; Y15-F107 HydrophobicContact CE2-CG 4.5Å; I47-F107 HydrophobicContact CB-CE1 4.33Å; I47-F107 HydrophobicContact CG1-CE1 3.91Å; I47-F107 HydrophobicContact CG1-CZ 4.47Å; I47-F107 HydrophobicContact CG2-CE1 4.15Å; I47-F107 HydrophobicContact CG2-CZ 4.12Å; S105-F107 PolarHBondContact O-N 2.99Å; S105-F107 VanDerWaalsContact O-N 3.11Å; S105-F107 PolarHBondContact OG-N 3.07Å; F107-G109 PolarHBondContact O-N 3.23Å; F107-A110 WeakPolarHBondContact O-CB 3.45Å; F107-A110 PolarHBondContact O-N 2.85Å; F107-A110 VanDerWaalsContact O-N 3.12Å
108T83.2Confident79.2Confident93 Ų9399.9 Ų99.957%0.57155%0.549SS*.THydrogen-bonded Turntrans-59.8126.4175.4-52.70000109.8S105 A110S105-T108 PolarHBondContact N-OG1 2.81Å; S105-T108 WeakPolarHBondContact O-CB 3.46Å; S105-T108 PolarHBondContact O-N 3.45Å; S105-T108 PolarHBondContact O-OG1 2.61Å; T108-A110 VanDerWaalsContact C-N 3.29Å; T108-A110 PolarHBondContact O-N 3.41Å
109G79.3Confident78.5Confident76 Ų7696 Ų9678%0.78454%0.535SS*.THydrogen-bonded Turntrans72.914-179.200000115.1F107F107-G109 PolarHBondContact O-N 3.23Å
110A82.4Confident77.9Confident21 Ų2198.7 Ų98.717%0.17455%0.545CS..PPolyproline II helixtrans-71.4135.7169.100000110.7V14 Y15 F107 T108V14-A110 HydrophobicContact CG1-CB 3.32Å; Y15-A110 HydrophobicContact CE1-CB 4.38Å; F107-A110 WeakPolarHBondContact O-CB 3.45Å; F107-A110 PolarHBondContact O-N 2.85Å; F107-A110 VanDerWaalsContact O-N 3.12Å; T108-A110 VanDerWaalsContact C-N 3.29Å; T108-A110 PolarHBondContact O-N 3.41Å
111A77.3Confident77.5Confident73 Ų7397.8 Ų97.860%0.60353%0.531SS*.PPolyproline II helixtrans-103127.4177.500000109.2P113A111-P113 WeakPolarHBondContact O-CD 3.27Å
112D78.9Confident77.3Confident24 Ų2499.2 Ų99.213%0.12854%0.535CS..PPolyproline II helixtrans-68.4123.5176.5-166.334.6000109.2Y15 S16 Y39 S114 S115Y15-D112 WeakPolarHBondContact CA-OD1 3.43Å; S16-D112 PolarHBondContact N-OD1 3.02Å; Y39-D112 PolarHBondContact OH-OD1 3.42Å; Y39-D112 PolarHBondContact OH-OD2 3.46Å; D112-S114 PolarHBondContact O-N 3.32Å; D112-S114 WeakPolarHBondContact OD2-CB 3.29Å; D112-S114 PolarHBondContact OD2-OG 3.09Å; D112-S115 VanDerWaalsContact O-CB 3.31Å; D112-S115 WeakPolarHBondContact O-CB 3.49Å; D112-S115 PolarHBondContact O-N 3.45Å; D112-S115 PolarHBondContact O-OG 3.32Å
113P73.3Confident77Confident29 Ų2995.2 Ų95.219%0.18851%0.513CS..G310 helixtrans-60.8-17.9-178.811.2-16.3000112.9Y39 V42 I43 A111 S115 Q116Y39-P113 HydrophobicContact CD2-CB 4.17Å; Y39-P113 HydrophobicContact CD2-CG 4.13Å; Y39-P113 HydrophobicContact CE1-CG 4.49Å; Y39-P113 HydrophobicContact CE2-CB 3.46Å; Y39-P113 VanDerWaalsContact CE2-CB 3.46Å; Y39-P113 HydrophobicContact CE2-CG 3.39Å; Y39-P113 VanDerWaalsContact OH-CD 3.25Å; Y39-P113 WeakPolarHBondContact OH-CD 3.49Å; Y39-P113 WeakPolarHBondContact OH-CG 3.46Å; V42-P113 HydrophobicContact CG1-CG 4.25Å; I43-P113 HydrophobicContact CD1-CG 4.34Å; I43-P113 HydrophobicContact CG1-CG 3.82Å; A111-P113 WeakPolarHBondContact O-CD 3.27Å; P113-S115 PolarHBondContact O-N 3.1Å; P113-Q116 WeakPolarHBondContact O-CB 3.1Å; P113-Q116 PolarHBondContact O-N 3.35Å; P113-Q116 VanDerWaalsContact O-N 3.08Å
114S67.4Low76.6Confident28 Ų2895.2 Ų95.220%0.19652%0.52CS..G310 helixtrans-71.8-8.7176.882.40000113.5R7 Y39 D112R7-S114 PolarHBondContact NH1-OG 3Å; R7-S114 PolarHBondContact NH2-O 3.48Å; R7-S114 PolarHBondContact NH2-OG 3.18Å; Y39-S114 VanDerWaalsContact CE2-N 3.26Å; Y39-S114 VanDerWaalsContact OH-CB 3.23Å; Y39-S114 WeakPolarHBondContact OH-CB 3.13Å; Y39-S114 PolarHBondContact OH-N 3.26Å; D112-S114 PolarHBondContact O-N 3.32Å; D112-S114 WeakPolarHBondContact OD2-CB 3.29Å; D112-S114 PolarHBondContact OD2-OG 3.09Å
115S63.7Low76.1Confident84 Ų8494 Ų9459%0.58751%0.507SS*.G310 helixtrans-72.5-18.6169.263.30000112.2D112 P113D112-S115 VanDerWaalsContact O-CB 3.31Å; D112-S115 WeakPolarHBondContact O-CB 3.49Å; D112-S115 PolarHBondContact O-N 3.45Å; D112-S115 PolarHBondContact O-OG 3.32Å; P113-S115 PolarHBondContact O-N 3.1Å
116Q64.7Low75.6Confident146 Ų146100.5 Ų100.568%0.68253%0.529SS*.SBendtrans-81.2127.8175.5-61-176.93300110P113 Q118P113-Q116 WeakPolarHBondContact O-CB 3.1Å; P113-Q116 PolarHBondContact O-N 3.35Å; P113-Q116 VanDerWaalsContact O-N 3.08Å; Q116-Q118 PolarHBondContact O-N 2.67Å; Q116-Q118 VanDerWaalsContact O-N 3.17Å
117T61.6Low74.8Confident142 Ų142104.3 Ų104.387%0.87155%0.549SS*.  trans-68.3114.6179.9-60.60000109.4
118Q67.9Low74.2Confident107 Ų107111.4 Ų111.450%0.557%0.574SS.*  trans-72.6144178.3-71.2-140.4-7.200112.3Q116 R120Q116-Q118 PolarHBondContact O-N 2.67Å; Q116-Q118 VanDerWaalsContact O-N 3.17Å; Q118-R120 PolarHBondContact O-N 2.77Å
119P69.9Low73.9Confident102 Ų102112.6 Ų112.666%0.66258%0.584SS**  trans-65.2133.5177.726.5-33.2000110.9R121P119-R121 PolarHBondContact O-N 2.89Å
120R74.9Confident73.9Confident247 Ų247116.5 Ų116.593%0.93258%0.579SS**  trans-69.7113.9179.9-61.1179.589.8168.56.2109.8Q118Q118-R120 PolarHBondContact O-N 2.77Å
121R76.7Confident73.9Confident123 Ų123119.9 Ų119.946%0.46460%0.595SS.*  trans-82.7130.9174.5-63.5-178.2-179.8168.44.7110.3D35 P119D35-R121 IonicContact OD1-CZ 2.68Å; D35-R121 IonicContact OD1-NH1 2.87Å; D35-R121 PolarHBondContact OD1-NH1 3.17Å; D35-R121 IonicContact OD1-NH2 3.3Å; D35-R121 PolarHBondContact OD1-NH2 3.47Å; D35-R121 IonicContact OD2-CZ 3.49Å; D35-R121 VanDerWaalsContact OD2-CZ 3.32Å; D35-R121 IonicContact OD2-NH1 3.48Å; D35-R121 PolarHBondContact OD2-NH1 3.39Å; D35-R121 IonicContact OD2-NH2 3.64Å; P119-R121 PolarHBondContact O-N 2.89Å
122K79.1Confident74.3Confident202 Ų202122 Ų12288%0.87859%0.592SS**  trans-91.2114.1171.5-70.8-177.7-178.4177.30108.6
123I80.5Confident74.6Confident52 Ų52128.6 Ų128.627%0.26762%0.619SS.*  trans-100.5112.4179.6-63163.9000107.9E27 E28 L31 N125E27-I123 HydrophobicContact CB-CG2 4.18Å; E28-I123 HydrophobicContact CB-CD1 4.15Å; E28-I123 HydrophobicContact CG-CD1 3.29Å; E28-I123 HydrophobicContact CG-CG1 4.5Å; E28-I123 HydrophobicContact CG-CG2 4.38Å; L31-I123 HydrophobicContact CD1-CD1 3.56Å; L31-I123 HydrophobicContact CD1-CG1 3.74Å; I123-N125 HydrophobicContact CG2-CB 4.28Å; I123-N125 PolarHBondContact O-N 3.17Å
124Q78.3Confident75.1Confident200 Ų200129.4 Ų129.494%0.93563%0.629SS**  trans-85.185.8176-63.5-169.31.300108.8
125N74.1Confident75.7Confident61 Ų61134.5 Ų134.533%0.32664%0.644SS.*  trans-133.4144.3170-169.510.1000110.5R25 E27 I123 L127R25-N125 PolarHBondContact NH1-O 3.24Å; E27-N125 PolarHBondContact OE1-ND2 2.82Å; E27-N125 PolarHBondContact OE2-ND2 3.35Å; I123-N125 HydrophobicContact CG2-CB 4.28Å; I123-N125 PolarHBondContact O-N 3.17Å; N125-L127 PolarHBondContact O-N 2.5Å
126K77.1Confident76.6Confident186 Ų186135.3 Ų135.381%0.80964%0.639SS**PPolyproline II helixtrans-59.3133.7171.1-62.7-177.6-178.7-179.30108.3R128K126-R128 PolarHBondContact O-N 2.58Å
127L73.3Confident77.5Confident141 Ų141134 Ų13474%0.73863%0.633SS**PPolyproline II helixtrans-64.8134174.2-65.4172.6000108.1N125N125-L127 PolarHBondContact O-N 2.5Å
128R74.7Confident78.4Confident202 Ų202130 Ų13076%0.76260%0.603SS**PPolyproline II helixtrans-62.2136.1168.1-88-154.1-82.6-142.8-0.1108.1K126K126-R128 PolarHBondContact O-N 2.58Å
129P76.2Confident78.9Confident119 Ų119128.4 Ų128.477%0.77360%0.597SS**PPolyproline II helixtrans-53.9144.6169.6-22.532.8000110.1D131P129-D131 PolarHBondContact O-N 2.99Å
130F79.3Confident79.3Confident157 Ų157128.9 Ų128.969%0.68960%0.598SS**PPolyproline II helixtrans-65.5122.9175.5178.5-102.9000109.4E132 W135F130-E132 HydrophobicContact CE1-CB 4.01Å; F130-E132 HydrophobicContact CE1-CG 4.44Å; F130-W135 HydrophobicContact CE2-CB 4.39Å; F130-W135 HydrophobicContact CE2-CG 4.36Å; F130-W135 HydrophobicContact CZ-CB 4.2Å; F130-W135 HydrophobicContact CZ-CD2 4.49Å; F130-W135 HydrophobicContact CZ-CG 4.19Å
131D83.5Confident79.4Confident93 Ų93124.9 Ų124.950%0.49759%0.585SS.*  trans-105.9107.4175.4-176.21000109.4P129 K133 A134 W135P129-D131 PolarHBondContact O-N 2.99Å; D131-K133 VanDerWaalsContact C-N 3.31Å; D131-K133 PolarHBondContact O-N 3.32Å; D131-K133 PolarHBondContact OD1-N 3.19Å; D131-K133 VanDerWaalsContact OD1-N 3.1Å; D131-A134 HydrophobicContact CB-CB 4.08Å; D131-W135 PolarHBondContact O-N 3.4Å
132E85.4Confident79.2Confident116 Ų116124 Ų12454%0.54258%0.584SS.*Hα-helixtrans-66.8-32.6-177.8-172.7171-171.600112.3F130 W135 Q136F130-E132 HydrophobicContact CE1-CB 4.01Å; F130-E132 HydrophobicContact CE1-CG 4.44Å; E132-W135 PolarHBondContact O-N 3.02Å; E132-Q136 WeakPolarHBondContact O-CG 3.43Å; E132-Q136 PolarHBondContact O-N 3.4Å
133K86Confident78.6Confident163 Ų163120 Ų12071%0.70958%0.579SS**Hα-helixtrans-70.6-46.9-179.1-67-177.8179.3-178.40111.2D131 W135 Q136 E137D131-K133 VanDerWaalsContact C-N 3.31Å; D131-K133 PolarHBondContact O-N 3.32Å; D131-K133 PolarHBondContact OD1-N 3.19Å; D131-K133 VanDerWaalsContact OD1-N 3.1Å; K133-W135 PolarHBondContact O-N 3.2Å; K133-Q136 PolarHBondContact O-N 3.43Å; K133-E137 PolarHBondContact O-N 3.04Å
134A82.9Confident77.7Confident47 Ų47121.8 Ų121.839%0.38859%0.592SS.*Hα-helixtrans-60.2-36.2174.500000111.6D131 K138D131-A134 HydrophobicContact CB-CB 4.08Å; A134-K138 VanDerWaalsContact O-CB 3.28Å; A134-K138 WeakPolarHBondContact O-CB 3.33Å; A134-K138 PolarHBondContact O-N 3.49Å; A134-K138 VanDerWaalsContact O-N 3.07Å
135W80.8Confident76.4Confident134 Ų134118.1 Ų118.151%0.50859%0.587SS.*Hα-helixtrans-67.6-43.3176.2-178.479.7000112.9F130 D131 E132 K133 K138 L139F130-W135 HydrophobicContact CE2-CB 4.39Å; F130-W135 HydrophobicContact CE2-CG 4.36Å; F130-W135 HydrophobicContact CZ-CB 4.2Å; F130-W135 HydrophobicContact CZ-CD2 4.49Å; F130-W135 HydrophobicContact CZ-CG 4.19Å; D131-W135 PolarHBondContact O-N 3.4Å; E132-W135 PolarHBondContact O-N 3.02Å; K133-W135 PolarHBondContact O-N 3.2Å; W135-K138 PolarHBondContact O-N 2.9Å; W135-L139 HydrophobicContact CD2-CD1 4.07Å; W135-L139 HydrophobicContact CD2-CG 4.45Å; W135-L139 HydrophobicContact CE3-CD1 3.84Å; W135-L139 HydrophobicContact CH2-CD1 3.37Å; W135-L139 HydrophobicContact CH2-CG 4.45Å; W135-L139 HydrophobicContact CZ2-CD1 3.59Å; W135-L139 HydrophobicContact CZ2-CD2 4.4Å; W135-L139 HydrophobicContact CZ2-CG 4.22Å; W135-L139 HydrophobicContact CZ3-CD1 3.48Å; W135-L139 VanDerWaalsContact CZ3-CD1 3.48Å; W135-L139 PolarHBondContact O-N 2.92Å
136Q81.8Confident75.3Confident102 Ų102119.6 Ų119.648%0.47760%0.598SS.*Hα-helixtrans-64.4-43.4176.6-73.9171.6-2.400112.3E132 K133 K138 L139 T140E132-Q136 WeakPolarHBondContact O-CG 3.43Å; E132-Q136 PolarHBondContact O-N 3.4Å; K133-Q136 PolarHBondContact O-N 3.43Å; Q136-K138 VanDerWaalsContact C-N 3.29Å; Q136-K138 PolarHBondContact O-N 3.31Å; Q136-L139 PolarHBondContact O-N 3.36Å; Q136-T140 PolarHBondContact O-N 2.94Å; Q136-T140 PolarHBondContact O-OG1 2.7Å
137E83.6Confident73.8Confident119 Ų119115.3 Ų115.356%0.55659%0.592SS**Hα-helixtrans-57.6-45.3173.3178.9177.1-178.400110.7K133 L139 T140 Y141K133-E137 PolarHBondContact O-N 3.04Å; E137-L139 PolarHBondContact O-N 2.89Å; E137-T140 WeakPolarHBondContact O-CB 3.37Å; E137-T140 PolarHBondContact O-N 3.39Å; E137-T140 PolarHBondContact O-OG1 3.39Å; E137-Y141 HydrophobicContact CG-CD2 4.36Å; E137-Y141 HydrophobicContact CG-CE2 3.71Å; E137-Y141 WeakPolarHBondContact O-CD2 3.33Å
138K79.9Confident72.6Confident57 Ų57114.7 Ų114.725%0.24859%0.589CS.*Hα-helixtrans-65.6-35-179.7-162.8172.6-174.4-168.20113.5E23 A134 W135 Q136 T140 Y141 F142E23-K138 VanDerWaalsContact OE1-CE 3.3Å; E23-K138 WeakPolarHBondContact OE1-CE 3.41Å; E23-K138 IonicContact OE1-NZ 2.95Å; E23-K138 PolarHBondContact OE1-NZ 3.38Å; E23-K138 IonicContact OE2-NZ 3.1Å; E23-K138 PolarHBondContact OE2-NZ 2.82Å; A134-K138 VanDerWaalsContact O-CB 3.28Å; A134-K138 WeakPolarHBondContact O-CB 3.33Å; A134-K138 PolarHBondContact O-N 3.49Å; A134-K138 VanDerWaalsContact O-N 3.07Å; W135-K138 PolarHBondContact O-N 2.9Å; Q136-K138 VanDerWaalsContact C-N 3.29Å; Q136-K138 PolarHBondContact O-N 3.31Å; K138-T140 PolarHBondContact O-N 3.41Å; K138-Y141 PolarHBondContact O-N 2.9Å; K138-Y141 VanDerWaalsContact O-N 3.12Å; K138-F142 HydrophobicContact CD-CD2 4.44Å; K138-F142 HydrophobicContact CD-CE2 4.38Å; K138-F142 HydrophobicContact CG-CD2 3.48Å; K138-F142 VanDerWaalsContact CG-CD2 3.48Å; K138-F142 HydrophobicContact CG-CE2 3.69Å; K138-F142 WeakPolarHBondContact O-CD2 3.46Å; K138-F142 PolarHBondContact O-N 3.1Å
139L79Confident71.4Confident73 Ų73113.8 Ų113.838%0.38259%0.591SS.*Hα-helixtrans-61.2-24171.7-78.5175.8000113.2W135 Q136 E137 Y141 V144W135-L139 HydrophobicContact CD2-CD1 4.07Å; W135-L139 HydrophobicContact CD2-CG 4.45Å; W135-L139 HydrophobicContact CE3-CD1 3.84Å; W135-L139 HydrophobicContact CH2-CD1 3.37Å; W135-L139 HydrophobicContact CH2-CG 4.45Å; W135-L139 HydrophobicContact CZ2-CD1 3.59Å; W135-L139 HydrophobicContact CZ2-CD2 4.4Å; W135-L139 HydrophobicContact CZ2-CG 4.22Å; W135-L139 HydrophobicContact CZ3-CD1 3.48Å; W135-L139 VanDerWaalsContact CZ3-CD1 3.48Å; W135-L139 PolarHBondContact O-N 2.92Å; Q136-L139 PolarHBondContact O-N 3.36Å; E137-L139 PolarHBondContact O-N 2.89Å; L139-Y141 VanDerWaalsContact C-N 3.34Å; L139-V144 HydrophobicContact CD2-CG2 4.26Å
140T79Confident70Confident112 Ų112117 Ų11769%0.68759%0.593SS**Hα-helixtrans-70.4-33.1176.4-48.50000111.4Q136 E137 K138Q136-T140 PolarHBondContact O-N 2.94Å; Q136-T140 PolarHBondContact O-OG1 2.7Å; E137-T140 WeakPolarHBondContact O-CB 3.37Å; E137-T140 PolarHBondContact O-N 3.39Å; E137-T140 PolarHBondContact O-OG1 3.39Å; K138-T140 PolarHBondContact O-N 3.41Å
141Y76.4Confident68.4Low164 Ų164119 Ų11964%0.64360%0.601SS**Hα-helixtrans-96.8-26.1-176.4-60-68.4000114.2E137 K138 L139 P143E137-Y141 HydrophobicContact CG-CD2 4.36Å; E137-Y141 HydrophobicContact CG-CE2 3.71Å; E137-Y141 WeakPolarHBondContact O-CD2 3.33Å; K138-Y141 PolarHBondContact O-N 2.9Å; K138-Y141 VanDerWaalsContact O-N 3.12Å; L139-Y141 VanDerWaalsContact C-N 3.34Å; Y141-P143 WeakPolarHBondContact O-CD 3.45Å
142F72.2Confident66.6Low103 Ų103118.1 Ų118.145%0.45261%0.607SS.*SBendtrans-107102.1176.4-66.7-84.7000108.4K138 V144K138-F142 HydrophobicContact CD-CD2 4.44Å; K138-F142 HydrophobicContact CD-CE2 4.38Å; K138-F142 HydrophobicContact CG-CD2 3.48Å; K138-F142 VanDerWaalsContact CG-CD2 3.48Å; K138-F142 HydrophobicContact CG-CE2 3.69Å; K138-F142 WeakPolarHBondContact O-CD2 3.46Å; K138-F142 PolarHBondContact O-N 3.1Å; F142-V144 HydrophobicContact CB-CG2 4.32Å; F142-V144 PolarHBondContact O-N 2.93Å
143P65.8Low65.1Low119 Ų119122 Ų12277%0.77363%0.625SS**  trans-6784.6168.327.7-31.7000107.5Y141 C145Y141-P143 WeakPolarHBondContact O-CD 3.45Å; P143-C145 VanDerWaalsContact C-N 3.3Å; P143-C145 PolarHBondContact O-N 3.34Å
144V61.5Low63.3Low89 Ų89121.4 Ų121.454%0.53963%0.63SS.*  trans-69.9100.4168.1-172.50000104L139 F142 V146L139-V144 HydrophobicContact CD2-CG2 4.26Å; F142-V144 HydrophobicContact CB-CG2 4.32Å; F142-V144 PolarHBondContact O-N 2.93Å; V144-V146 HydrophobicContact CB-CG2 4.16Å; V144-V146 HydrophobicContact CG1-CG2 3.78Å; V144-V146 WeakPolarHBondContact O-CG2 3.4Å; V144-V146 PolarHBondContact O-N 3.01Å
145C51.4Low62Low123 Ų123127.7 Ų127.783%0.83165%0.651SS**  trans-63.276.3157-75.60000106.5P143 S147P143-C145 VanDerWaalsContact C-N 3.3Å; P143-C145 PolarHBondContact O-N 3.34Å; C145-S147 PolarHBondContact O-N 3.1Å
146V51.4Low60.6Low93 Ų93126.2 Ų126.256%0.56466%0.657SS**  trans-63.1101.8159.4-143.10000101.6V144 N148V144-V146 HydrophobicContact CB-CG2 4.16Å; V144-V146 HydrophobicContact CG1-CG2 3.78Å; V144-V146 WeakPolarHBondContact O-CG2 3.4Å; V144-V146 PolarHBondContact O-N 3.01Å; V146-N148 VanDerWaalsContact CG1-OD1 3.31Å; V146-N148 WeakPolarHBondContact CG1-OD1 3.41Å; V146-N148 PolarHBondContact O-N 3.14Å
147S45.6Very low59.5Low96 Ų96131 Ų13167%0.67168%0.679SS**  trans-64.678.5161.762.60000104.9C145 K149C145-S147 PolarHBondContact O-N 3.1Å; S147-K149 PolarHBondContact O-N 3.31Å
148N47.5Very low58.8Low128 Ų128130.3 Ų130.368%0.68468%0.676SS**  trans-67.566.2154.5-68-13.3000104.1V146 K150V146-N148 VanDerWaalsContact CG1-OD1 3.31Å; V146-N148 WeakPolarHBondContact CG1-OD1 3.41Å; V146-N148 PolarHBondContact O-N 3.14Å; N148-K150 PolarHBondContact O-N 3.33Å
149K49.6Very low58.4Low182 Ų182128.6 Ų128.679%0.79167%0.674SS**  trans-62.381.6146.3-62.6-140.2175.7-1680102.6S147 K151S147-K149 PolarHBondContact O-N 3.31Å; K149-K151 PolarHBondContact O-N 3.39Å
150K46.5Very low58.4Low188 Ų188129.4 Ų129.482%0.81768%0.678SS**  trans-45.8106.7143.2-73-177.21771790101.3N148 A152N148-K150 PolarHBondContact O-N 3.33Å; K150-A152 PolarHBondContact O-N 3.28Å
151K46.3Very low58.4Low197 Ų197126.4 Ų126.486%0.85767%0.67SS**  trans-54.3100.1161-78.4-173.2170.6-168.10102K149 E153K149-K151 PolarHBondContact O-N 3.39Å; K151-E153 PolarHBondContact O-N 3.24Å
152A46.7Very low58.6Low76 Ų76123.9 Ų123.963%0.62868%0.677SS**  trans-56.1109.1155.200000101.5K150 D154K150-A152 PolarHBondContact O-N 3.28Å; A152-D154 PolarHBondContact O-N 3.22Å
153E52.4Low59.1Low196 Ų196123.3 Ų123.392%0.91668%0.678SS**THydrogen-bonded Turntrans-69.423.1-178.3-152173.7-17200110.5K151K151-E153 PolarHBondContact O-N 3.24Å
154D48.8Very low59.9Low152 Ų152119.6 Ų119.681%0.81365%0.654SS**THydrogen-bonded Turntrans-139.77.1-155.2-120.10.3000113.8A152A152-D154 PolarHBondContact O-N 3.22Å
155E56Low60.9Low178 Ų178127 Ų12783%0.83267%0.672SS**SBendtrans-100.398.4154.1-75.2-173.1175.100106.1E157E155-E157 PolarHBondContact O-N 2.75Å
156T50.6Low62.4Low103 Ų103127.8 Ų127.863%0.63267%0.668SS**  trans-26.5133.716440.20000111.5E158T156-E158 PolarHBondContact O-N 3.33Å; T156-E158 PolarHBondContact OG1-OE1 3.31Å
157E59.3Low64Low203 Ų203126.2 Ų126.295%0.94966%0.655SS**  trans-62.370.3174-61.8-176.6157.500110.6E155E155-E157 PolarHBondContact O-N 2.75Å
158E68.3Low65.8Low105 Ų105127.7 Ų127.749%0.49167%0.666SS.*  trans-87.7127177.2-70.3-168-171.400109.6T156 K184T156-E158 PolarHBondContact O-N 3.33Å; T156-E158 PolarHBondContact OG1-OE1 3.31Å; E158-K184 CarbonylContact C-O 3.54Å; E158-K184 VanDerWaalsContact O-O 3.11Å
159G72.9Confident67.6Low20 Ų20124.1 Ų124.121%0.20665%0.651CS.*SBendtrans101.9176.2-179.700000114.3G161 L182G159-G161 PolarHBondContact O-N 2.87Å; G159-L182 CarbonylContact C-O 3.58Å; G159-L182 WeakPolarHBondContact CA-O 3.44Å
160L79.3Confident69.1Low90 Ų90121 Ų12147%0.47165%0.647SS.*SBendtrans-75.715.7-177.3-65176.2000114.5L182 Y183 Y186L160-L182 HydrophobicContact CD1-CB 3.78Å; L160-L182 HydrophobicContact CD1-CD1 4.47Å; L160-L182 HydrophobicContact CG-CB 4.24Å; L160-L182 PolarHBondContact N-O 3.14Å; L160-Y183 HydrophobicContact CB-CD1 3.77Å; L160-Y183 HydrophobicContact CB-CE1 3.84Å; L160-Y183 HydrophobicContact CB-CG 4.36Å; L160-Y186 HydrophobicContact CD1-CD2 4.48Å; L160-Y186 HydrophobicContact CD2-CD2 3.54Å; L160-Y186 HydrophobicContact CD2-CE2 3.73Å; L160-Y186 HydrophobicContact CD2-CG 4.48Å; L160-Y186 HydrophobicContact CG-CD2 3.87Å; L160-Y186 HydrophobicContact CG-CE2 4.36Å
161G78.6Confident70.8Confident50 Ų50115.6 Ų115.652%0.51563%0.633SS.*  trans74.9-145.8177.500000113.7G159G159-G161 PolarHBondContact O-N 2.87Å
162S80.5Confident72.5Confident111 Ų111109.9 Ų109.978%0.77662%0.618SS**SBendtrans-66.6138.1-172.664.60000112.4
163L83.1Confident74.4Confident91 Ų91107 Ų10748%0.47659%0.592SS.*PPolyproline II helixtrans-57.2136.3178.2-63.3164.8000111.7I167 L173 Y183L163-I167 HydrophobicContact CB-CD1 4.03Å; L163-I167 HydrophobicContact CD2-CD1 4.27Å; L163-L173 HydrophobicContact CD2-CD1 3.61Å; L163-L173 HydrophobicContact CD2-CD2 3.45Å; L163-L173 VanDerWaalsContact CD2-CD2 3.45Å; L163-L173 HydrophobicContact CD2-CG 4.16Å; L163-Y183 HydrophobicContact CD2-CD1 4.23Å; L163-Y183 HydrophobicContact CD2-CD2 4.28Å; L163-Y183 HydrophobicContact CD2-CG 3.89Å
164P82.3Confident75.9Confident41 Ų41101.4 Ų101.427%0.26657%0.568SS.*PPolyproline II helixtrans-67.1140.8175.626-31.6000110.7N166 I167 Y183P164-N166 WeakPolarHBondContact CB-OD1 2.96Å; P164-N166 PolarHBondContact O-N 2.95Å; P164-N166 VanDerWaalsContact O-N 3.14Å; P164-I167 HydrophobicContact CG-CG2 3.92Å; P164-I167 WeakPolarHBondContact O-CG1 3.45Å; P164-Y183 HydrophobicContact CG-CE1 4.38Å; P164-Y183 WeakPolarHBondContact CG-OH 3.36Å
165R81.8Confident77.5Confident244 Ų24496.9 Ų96.992%0.92154%0.543SS*.THydrogen-bonded Turntrans-70.9-8.7-169.9-65177.1-179.4-102.8-1.4114.7
166N83Confident78.4Confident139 Ų13997.5 Ų97.574%0.74354%0.543SS*.THydrogen-bonded Turntrans-105.914.7-172.462.6-34.5000113.8P164P164-N166 WeakPolarHBondContact CB-OD1 2.96Å; P164-N166 PolarHBondContact O-N 2.95Å; P164-N166 VanDerWaalsContact O-N 3.14Å
167I85.3Confident79.5Confident60 Ų6099.6 Ų99.631%0.30855%0.551SS.*  trans-80.4126.8172.959.2-175.6000110.3L163 P164 L173L163-I167 HydrophobicContact CB-CD1 4.03Å; L163-I167 HydrophobicContact CD2-CD1 4.27Å; P164-I167 HydrophobicContact CG-CG2 3.92Å; P164-I167 WeakPolarHBondContact O-CG1 3.45Å; I167-L173 HydrophobicContact CD1-CD1 4.2Å; I167-L173 HydrophobicContact CD1-CD2 3.72Å; I167-L173 HydrophobicContact CD1-CG 4.24Å; I167-L173 HydrophobicContact CG2-CD2 4.23Å
168S82.3Confident80.3Confident127 Ų12791.1 Ų91.189%0.88851%0.513SS*.  trans-102.4-12174.655.10000112.9
169S85.1Confident80.9Confident53 Ų5391.4 Ų91.437%0.37152%0.522SS..  trans-140.1142.9-178.8-178.40000111.5S171 S172S169-S171 PolarHBondContact O-N 3.24Å; S169-S171 PolarHBondContact OG-N 3.33Å; S169-S171 PolarHBondContact OG-OG 3.31Å; S169-S172 WeakPolarHBondContact O-CB 3.17Å; S169-S172 PolarHBondContact O-N 2.95Å
170V81.6Confident81.2Confident116 Ų11693.3 Ų93.370%0.70353%0.525SS*.G310 helixtrans-65-27175.1-177.30000111.3S172 L173V170-S172 PolarHBondContact O-N 2.79Å; V170-L173 WeakPolarHBondContact O-CB 3.45Å; V170-L173 PolarHBondContact O-N 3.35Å; V170-L173 VanDerWaalsContact O-N 3.11Å
171S81.9Confident81.5Confident76 Ų7691.5 Ų91.553%0.53152%0.516SS..G310 helixtrans-63.5-23.8176.3590000113.5S169 L173 L174S169-S171 PolarHBondContact O-N 3.24Å; S169-S171 PolarHBondContact OG-N 3.33Å; S169-S171 PolarHBondContact OG-OG 3.31Å; S171-L173 PolarHBondContact O-N 3.42Å; S171-L174 PolarHBondContact O-N 2.79Å
172S83.2Confident81.6Confident76 Ų7690.6 Ų90.653%0.53150%0.499SS..G310 helixtrans-73.8-8.9176.9-52.30000113.5S169 V170S169-S172 WeakPolarHBondContact O-CB 3.17Å; S169-S172 PolarHBondContact O-N 2.95Å; V170-S172 PolarHBondContact O-N 2.79Å
173L85.4Confident81.7Confident17 Ų1788.6 Ų88.69%0.08948%0.475CS..G310 helixtrans-89.6-12.8175.9-58.4178.1000113L163 I167 V170 S171 N181 Y183L163-L173 HydrophobicContact CD2-CD1 3.61Å; L163-L173 HydrophobicContact CD2-CD2 3.45Å; L163-L173 VanDerWaalsContact CD2-CD2 3.45Å; L163-L173 HydrophobicContact CD2-CG 4.16Å; I167-L173 HydrophobicContact CD1-CD1 4.2Å; I167-L173 HydrophobicContact CD1-CD2 3.72Å; I167-L173 HydrophobicContact CD1-CG 4.24Å; I167-L173 HydrophobicContact CG2-CD2 4.23Å; V170-L173 WeakPolarHBondContact O-CB 3.45Å; V170-L173 PolarHBondContact O-N 3.35Å; V170-L173 VanDerWaalsContact O-N 3.11Å; S171-L173 PolarHBondContact O-N 3.42Å; L173-N181 PolarHBondContact O-OD1 2.92Å; L173-Y183 HydrophobicContact CB-CD2 4.47Å; L173-Y183 HydrophobicContact CD2-CD2 3.74Å; L173-Y183 HydrophobicContact CD2-CE2 3.83Å
174L84.9Confident81.5Confident78 Ų7892.4 Ų92.441%0.40849%0.488SS..BIsolated β-bridgetrans-85.2137.3179.2-59.5172.5000109.5S171 E180 N181S171-L174 PolarHBondContact O-N 2.79Å; L174-E180 CarbonylContact C-O 3.57Å; L174-E180 VanDerWaalsContact CA-O 3.31Å; L174-E180 WeakPolarHBondContact CA-O 3.39Å; L174-N181 HydrophobicContact CD2-CB 4.35Å
175L81.8Confident81.2Confident57 Ų5796.1 Ų96.130%0.29850%0.5SS..PPolyproline II helixtrans-63.9136.5171.217168.1000109.2N177 T178 E180 L182 L189L175-N177 PolarHBondContact O-N 2.84Å; L175-T178 VanDerWaalsContact CB-OG1 3.26Å; L175-T178 WeakPolarHBondContact CB-OG1 3.48Å; L175-T178 HydrophobicContact CD2-CG2 4.14Å; L175-T178 HydrophobicContact CG-CG2 4.2Å; L175-T178 PolarHBondContact O-N 3.47Å; L175-T178 PolarHBondContact O-OG1 3.42Å; L175-E180 PolarHBondContact N-O 2.94Å; L175-L182 HydrophobicContact CB-CD1 4.18Å; L175-L182 HydrophobicContact CB-CG 4.19Å; L175-L182 HydrophobicContact CD1-CD1 4.14Å; L175-L189 HydrophobicContact CD2-CB 4.28Å; L175-L189 HydrophobicContact CD2-CD1 4.05Å
176F75.3Confident80.8Confident191 Ų19189.6 Ų89.684%0.83848%0.476SS*.THydrogen-bonded Turntrans-52.1128.6-172.5-180-99.8000112.5T178F176-T178 PolarHBondContact O-N 3.31Å
177N73.6Confident80.1Confident147 Ų14785.3 Ų85.379%0.78646%0.455SS*.THydrogen-bonded Turntrans60.423.9-177-155.626.4000114.7L175L175-N177 PolarHBondContact O-N 2.84Å
178T76.8Confident79.1Confident24 Ų2491 Ų9115%0.14748%0.478CS..SBendtrans-132.9166.5173.775.60000110.7L175 F176 E180L175-T178 VanDerWaalsContact CB-OG1 3.26Å; L175-T178 WeakPolarHBondContact CB-OG1 3.48Å; L175-T178 HydrophobicContact CD2-CG2 4.14Å; L175-T178 HydrophobicContact CG-CG2 4.2Å; L175-T178 PolarHBondContact O-N 3.47Å; L175-T178 PolarHBondContact O-OG1 3.42Å; F176-T178 PolarHBondContact O-N 3.31Å; T178-E180 PolarHBondContact OG1-N 3.39Å
179T79.9Confident78.3Confident111 Ų11187.9 Ų87.968%0.68145%0.451SS*.SBendtrans-96.810.4172.552.50000112.5
180E80.5Confident77.5Confident61 Ų6189.8 Ų89.829%0.28546%0.457SS..  trans-92.8137-173.3-62.4-162.5-174.500112.6L174 L175 T178 L189L174-E180 CarbonylContact C-O 3.57Å; L174-E180 VanDerWaalsContact CA-O 3.31Å; L174-E180 WeakPolarHBondContact CA-O 3.39Å; L175-E180 PolarHBondContact N-O 2.94Å; T178-E180 PolarHBondContact OG1-N 3.39Å; E180-L189 HydrophobicContact CG-CD1 4.42Å; E180-L189 WeakPolarHBondContact OE2-CD1 3.41Å
181N84.6Confident76.4Confident52 Ų5290.1 Ų90.128%0.27846%0.461SS..BIsolated β-bridgetrans-105.6107.3177.3-177.7-17.1000110.6L173 L174 Y183 K184 K185L173-N181 PolarHBondContact O-OD1 2.92Å; L174-N181 HydrophobicContact CD2-CB 4.35Å; N181-Y183 PolarHBondContact O-N 3.38Å; N181-Y183 WeakPolarHBondContact OD1-CA 3.5Å; N181-Y183 VanDerWaalsContact OD1-CB 3.32Å; N181-Y183 WeakPolarHBondContact OD1-CB 3.47Å; N181-Y183 PolarHBondContact OD1-N 2.97Å; N181-K184 HydrophobicContact CB-CB 4.5Å; N181-K184 PolarHBondContact O-N 3.19Å; N181-K184 VanDerWaalsContact O-N 3.1Å; N181-K185 PolarHBondContact O-N 2.88Å
182L81.3Confident75.5Confident30 Ų3094.2 Ų94.216%0.15748%0.476CS..THydrogen-bonded Turntrans-68.4-16-178.3-61.1179.7000113.9G159 L160 L175 K184 K185G159-L182 CarbonylContact C-O 3.58Å; G159-L182 WeakPolarHBondContact CA-O 3.44Å; L160-L182 HydrophobicContact CD1-CB 3.78Å; L160-L182 HydrophobicContact CD1-CD1 4.47Å; L160-L182 HydrophobicContact CG-CB 4.24Å; L160-L182 PolarHBondContact N-O 3.14Å; L175-L182 HydrophobicContact CB-CD1 4.18Å; L175-L182 HydrophobicContact CB-CG 4.19Å; L175-L182 HydrophobicContact CD1-CD1 4.14Å; L182-K184 VanDerWaalsContact C-N 3.33Å; L182-K185 WeakPolarHBondContact CA-O 3.43Å
183Y81.3Confident74.4Confident69 Ų6994 Ų9427%0.27148%0.479SS..THydrogen-bonded Turntrans-81.2-13.8174.5-67.3-86.5000113.2L160 L163 P164 L173 N181L160-Y183 HydrophobicContact CB-CD1 3.77Å; L160-Y183 HydrophobicContact CB-CE1 3.84Å; L160-Y183 HydrophobicContact CB-CG 4.36Å; L163-Y183 HydrophobicContact CD2-CD1 4.23Å; L163-Y183 HydrophobicContact CD2-CD2 4.28Å; L163-Y183 HydrophobicContact CD2-CG 3.89Å; P164-Y183 HydrophobicContact CG-CE1 4.38Å; P164-Y183 WeakPolarHBondContact CG-OH 3.36Å; L173-Y183 HydrophobicContact CB-CD2 4.47Å; L173-Y183 HydrophobicContact CD2-CD2 3.74Å; L173-Y183 HydrophobicContact CD2-CE2 3.83Å; N181-Y183 PolarHBondContact O-N 3.38Å; N181-Y183 WeakPolarHBondContact OD1-CA 3.5Å; N181-Y183 VanDerWaalsContact OD1-CB 3.32Å; N181-Y183 WeakPolarHBondContact OD1-CB 3.47Å; N181-Y183 PolarHBondContact OD1-N 2.97Å
184K79.3Confident73Confident171 Ų17196 Ų9674%0.74350%0.504SS*.THydrogen-bonded Turntrans-99.6-40.3174.6-174179.4178.8-1750112.1E158 N181 L182E158-K184 CarbonylContact C-O 3.54Å; E158-K184 VanDerWaalsContact O-O 3.11Å; N181-K184 HydrophobicContact CB-CB 4.5Å; N181-K184 PolarHBondContact O-N 3.19Å; N181-K184 VanDerWaalsContact O-N 3.1Å; L182-K184 VanDerWaalsContact C-N 3.33Å
185K76.1Confident71.5Confident119 Ų11994.7 Ų94.752%0.51750%0.504SS..  trans-148.5124176.2-173172.2-173.91690109N181 L182 V187N181-K185 PolarHBondContact O-N 2.88Å; L182-K185 WeakPolarHBondContact CA-O 3.43Å; K185-V187 HydrophobicContact CD-CG2 4.38Å; K185-V187 HydrophobicContact CG-CG2 4.09Å; K185-V187 PolarHBondContact O-N 3.35Å
186Y74.5Confident70Confident107 Ų10798.2 Ų98.242%0.4253%0.528SS..  trans-86.1109.2179.3-174-101.5000109.6L160 F188L160-Y186 HydrophobicContact CD1-CD2 4.48Å; L160-Y186 HydrophobicContact CD2-CD2 3.54Å; L160-Y186 HydrophobicContact CD2-CE2 3.73Å; L160-Y186 HydrophobicContact CD2-CG 4.48Å; L160-Y186 HydrophobicContact CG-CD2 3.87Å; L160-Y186 HydrophobicContact CG-CE2 4.36Å; Y186-F188 HydrophobicContact CD1-CD2 4.37Å; Y186-F188 HydrophobicContact CD1-CE2 4.49Å; Y186-F188 AromaticContact CE1-CD2 3.54Å; Y186-F188 HydrophobicContact CE1-CD2 3.54Å; Y186-F188 AromaticContact CE1-CE2 3.42Å; Y186-F188 HydrophobicContact CE1-CE2 3.42Å; Y186-F188 VanDerWaalsContact CE1-CE2 3.42Å; Y186-F188 HydrophobicContact CE1-CG 4.23Å; Y186-F188 AromaticContact CE1-CZ 3.98Å; Y186-F188 HydrophobicContact CE1-CZ 3.98Å; Y186-F188 VanDerWaalsContact OH-CZ 3.32Å; Y186-F188 WeakPolarHBondContact OH-CZ 3.42Å
187V68.3Low68.9Low50 Ų5092.6 Ų92.630%0.30351%0.509SS..  trans-114.3123.8176.5-173.70000108K185 L189K185-V187 HydrophobicContact CD-CG2 4.38Å; K185-V187 HydrophobicContact CG-CG2 4.09Å; K185-V187 PolarHBondContact O-N 3.35Å; V187-L189 HydrophobicContact CB-CG 4.37Å; V187-L189 HydrophobicContact CG1-CD2 3.98Å; V187-L189 HydrophobicContact CG1-CG 3.89Å; V187-L189 PolarHBondContact O-N 3.28Å
188F64.5Low67.8Low179 Ų17994.9 Ų94.979%0.78551%0.512SS*.  trans-7396.3170.4-96.3-76.6000108.7Y186Y186-F188 HydrophobicContact CD1-CD2 4.37Å; Y186-F188 HydrophobicContact CD1-CE2 4.49Å; Y186-F188 AromaticContact CE1-CD2 3.54Å; Y186-F188 HydrophobicContact CE1-CD2 3.54Å; Y186-F188 AromaticContact CE1-CE2 3.42Å; Y186-F188 HydrophobicContact CE1-CE2 3.42Å; Y186-F188 VanDerWaalsContact CE1-CE2 3.42Å; Y186-F188 HydrophobicContact CE1-CG 4.23Å; Y186-F188 AromaticContact CE1-CZ 3.98Å; Y186-F188 HydrophobicContact CE1-CZ 3.98Å; Y186-F188 VanDerWaalsContact OH-CZ 3.32Å; Y186-F188 WeakPolarHBondContact OH-CZ 3.42Å
189L64.2Low66.4Low61 Ų6199.6 Ų99.632%0.31954%0.541SS..  trans-101.2131.8172.5-69173.8000109.9L175 E180 V187 P191L175-L189 HydrophobicContact CD2-CB 4.28Å; L175-L189 HydrophobicContact CD2-CD1 4.05Å; E180-L189 HydrophobicContact CG-CD1 4.42Å; E180-L189 WeakPolarHBondContact OE2-CD1 3.41Å; V187-L189 HydrophobicContact CB-CG 4.37Å; V187-L189 HydrophobicContact CG1-CD2 3.98Å; V187-L189 HydrophobicContact CG1-CG 3.89Å; V187-L189 PolarHBondContact O-N 3.28Å; L189-P191 WeakPolarHBondContact O-CD 3.32Å
190D68.1Low64.9Low94 Ų94103.2 Ų103.250%0.50355%0.55SS..  trans-78.9112.8171.2179.6-1000109.5L192 A193D190-L192 PolarHBondContact O-N 3.33Å; D190-L192 VanDerWaalsContact O-N 3.14Å; D190-L192 PolarHBondContact OD1-N 2.93Å; D190-A193 HydrophobicContact CB-CB 3.81Å; D190-A193 PolarHBondContact O-N 3.17Å
191P58.4Low63.4Low122 Ų122108 Ų10879%0.79257%0.572SS**THydrogen-bonded Turntrans-67.9-11.7-176.128-34.6000113.8L189L189-P191 WeakPolarHBondContact O-CD 3.32Å
192L63.2Low61.4Low162 Ų162112.4 Ų112.485%0.84860%0.602SS**THydrogen-bonded Turntrans-100.5-14.2179.2-65.1167.3000113D190 G194D190-L192 PolarHBondContact O-N 3.33Å; D190-L192 VanDerWaalsContact O-N 3.14Å; D190-L192 PolarHBondContact OD1-N 2.93Å; L192-G194 PolarHBondContact O-N 2.9Å; L192-G194 VanDerWaalsContact O-N 3.1Å
193A61.2Low59.7Low72 Ų72118.2 Ų118.260%0.59563%0.632SS**SBendtrans-7710.8-176.400000114.4D190D190-A193 HydrophobicContact CB-CB 3.81Å; D190-A193 PolarHBondContact O-N 3.17Å
194G56Low58Low59 Ų59123 Ų12361%0.60866%0.656SS**  trans68.550.9173.400000113.2L192 V196L192-G194 PolarHBondContact O-N 2.9Å; L192-G194 VanDerWaalsContact O-N 3.1Å; G194-V196 PolarHBondContact O-N 3.49Å
195A52.4Low56.4Low50 Ų50121.3 Ų121.341%0.41366%0.661SS.*  trans-70.367.3168.300000111T197A195-T197 PolarHBondContact O-N 3.39Å; A195-T197 VanDerWaalsContact O-N 3.12Å
196V51.1Low54.9Low131 Ų131123.9 Ų123.979%0.79468%0.675SS**  trans-68.897.2147.6-1770000104G194 K198G194-V196 PolarHBondContact O-N 3.49Å; V196-K198 VanDerWaalsContact C-N 3.34Å; V196-K198 PolarHBondContact O-N 3.25Å
197T51.2Low53.5Low73 Ų73128 Ų12845%0.44870%0.695SS.*  trans-56.1100.6176.6510000108.1A195 T199A195-T197 PolarHBondContact O-N 3.39Å; A195-T197 VanDerWaalsContact O-N 3.12Å; T197-T199 PolarHBondContact O-N 2.88Å; T197-T199 VanDerWaalsContact O-N 3.09Å
198K50.1Low52.7Low195 Ų195135.3 Ų135.385%0.84873%0.726SS**  trans-54.8116.6160.1-72.9-177.9177.2177.70105.9V196 H200V196-K198 VanDerWaalsContact C-N 3.34Å; V196-K198 PolarHBondContact O-N 3.25Å; K198-H200 PolarHBondContact O-N 2.79Å
199T48.1Very low52.3Low124 Ų124133.4 Ų133.476%0.76172%0.719SS**SBendtrans-44.2126.9162.444.90000109.8T197T197-T199 PolarHBondContact O-N 2.88Å; T197-T199 VanDerWaalsContact O-N 3.09Å
200H48.2Very low52Low186 Ų186139.5 Ų139.586%0.86174%0.743SS**SBendtrans61.288168.6-71.6-91.7000118K198K198-H200 PolarHBondContact O-N 2.79Å
201Q49.7Very low51.9Low162 Ų162141 Ų14176%0.75776%0.758SS**  trans-167.970.9144.3-151.9168.244.600113.6
202T42.6Very low52.2Low145 Ų145143.3 Ų143.389%0.8976%0.756SS**  trans-161.965.3164.26.60000112.2
203L45.4Very low52.5Low152 Ų152142.9 Ų142.980%0.79676%0.755SS**  trans-141.360.1155.2-85.5173.2000107.2
204E46Very low52.8Low168 Ų168141.4 Ų141.479%0.78574%0.742SS**  trans-123.343.3170.6-73-169.1173.500110
205T44.7Very low53.2Low137 Ų137142.5 Ų142.584%0.8474%0.739SS**  trans-150.556.5163.954.30000109.7
206E44.4Very low53.6Low172 Ų172146.7 Ų146.780%0.80475%0.754SS**SBendtrans-121.5129.7155.9-69.8-171.5174.600106.6
207K44.9Very low54Low194 Ų194144.5 Ų144.584%0.84374%0.744SS**  trans-44.6145.7-178.9-91.3169.3166.21740110.9E209K207-E209 PolarHBondContact O-N 3.05Å
208E52.3Low54.8Low204 Ų204146.4 Ų146.495%0.95375%0.75SS**  trans-48.276.8160.5-165.5179.6-162.400111.4
209E55.3Low55.9Low138 Ų138141 Ų14165%0.64573%0.733SS**  trans-99.8120.1159.4-76.5-165.9164.100106.8K207 F212K207-E209 PolarHBondContact O-N 3.05Å; E209-F212 WeakPolarHBondContact OE2-CE2 3.26Å
210K59.6Low56.6Low189 Ų189137.7 Ų137.782%0.82271%0.713SS**  trans-43.2136.2170-76.5171.7174.4173.80108.7F212K210-F212 PolarHBondContact O-N 3.12Å
211P64.6Low57.2Low127 Ų127135.8 Ų135.883%0.82570%0.698SS**PPolyproline II helixtrans-52.8123.6176.522.1-31.6000108.5D213P211-D213 PolarHBondContact O-N 2.72Å
212F64.4Low57.9Low169 Ų169134.9 Ų134.974%0.74169%0.694SS**PPolyproline II helixtrans-55.8137.6175.9-76.4-90000109E209 K210 A214E209-F212 WeakPolarHBondContact OE2-CE2 3.26Å; K210-F212 PolarHBondContact O-N 3.12Å; F212-A214 PolarHBondContact O-N 3.35Å
213D70.6Confident58.6Low154 Ų154134.7 Ų134.782%0.82468%0.683SS**PPolyproline II helixtrans-57.6135.2-178.9-149.34.7000109.5P211P211-D213 PolarHBondContact O-N 2.72Å
214A67.6Low59.1Low40 Ų40133 Ų13333%0.33167%0.673SS.*PPolyproline II helixtrans-62.1139.7-173.700000109.6F212 L216 I218 T219F212-A214 PolarHBondContact O-N 3.35Å; A214-L216 PolarHBondContact O-N 2.94Å; A214-I218 HydrophobicContact CB-CB 4.32Å; A214-I218 HydrophobicContact CB-CG2 4.28Å; A214-T219 HydrophobicContact CB-CG2 3.9Å
215P63.8Low59.6Low82 Ų82131 Ų13153%0.53266%0.664SS.*PPolyproline II helixtrans-55.8144.9178.622.4-32.9000110.3S217 I218 T219P215-S217 PolarHBondContact O-N 3.46Å; P215-I218 HydrophobicContact CG-CD1 3.89Å; P215-I218 HydrophobicContact CG-CG1 4.14Å; P215-I218 PolarHBondContact O-N 2.88Å; P215-T219 PolarHBondContact O-N 3.29Å
216L60.8Low60.1Low139 Ų139134.2 Ų134.273%0.72866%0.66SS**Hα-helixtrans-51.5-27-174.6-67.5170.2000113.5A214 I218 T219 T220A214-L216 PolarHBondContact O-N 2.94Å; L216-I218 VanDerWaalsContact C-N 3.28Å; L216-I218 PolarHBondContact O-N 3.39Å; L216-T219 WeakPolarHBondContact CA-OG1 3.31Å; L216-T219 PolarHBondContact O-OG1 3.35Å; L216-T220 WeakPolarHBondContact O-CB 3.48Å; L216-T220 PolarHBondContact O-N 3.03Å; L216-T220 PolarHBondContact O-OG1 3.44Å; L216-T220 VanDerWaalsContact O-OG1 3.09Å
217S60Low60.5Low84 Ų84132.9 Ų132.959%0.58765%0.654SS**Hα-helixtrans-66.1-23.6175.4-520000114.5P215P215-S217 PolarHBondContact O-N 3.46Å
218I68.4Low60.8Low113 Ų113128.4 Ų128.458%0.57964%0.643SS**Hα-helixtrans-92.5-44.6176.7-64.5179.7000110.4A214 P215 L216 T220A214-I218 HydrophobicContact CB-CB 4.32Å; A214-I218 HydrophobicContact CB-CG2 4.28Å; P215-I218 HydrophobicContact CG-CD1 3.89Å; P215-I218 HydrophobicContact CG-CG1 4.14Å; P215-I218 PolarHBondContact O-N 2.88Å; L216-I218 VanDerWaalsContact C-N 3.28Å; L216-I218 PolarHBondContact O-N 3.39Å; I218-T220 VanDerWaalsContact C-N 3.31Å; I218-T220 PolarHBondContact O-N 3.11Å
219T71.6Confident60.9Low81 Ų81123.5 Ų123.550%0.49764%0.638SS.*Hα-helixtrans-67.8-32.9179.756.80000112.5A214 P215 L216A214-T219 HydrophobicContact CB-CG2 3.9Å; P215-T219 PolarHBondContact O-N 3.29Å; L216-T219 WeakPolarHBondContact CA-OG1 3.31Å; L216-T219 PolarHBondContact O-OG1 3.35Å
220T64.1Low61.1Low55 Ų55122 Ų12234%0.33763%0.63SS.*THydrogen-bonded Turntrans-106.814.9-175.4-41.10000111.7L216 I218 E222 Q223 M224L216-T220 WeakPolarHBondContact O-CB 3.48Å; L216-T220 PolarHBondContact O-N 3.03Å; L216-T220 PolarHBondContact O-OG1 3.44Å; L216-T220 VanDerWaalsContact O-OG1 3.09Å; I218-T220 VanDerWaalsContact C-N 3.31Å; I218-T220 PolarHBondContact O-N 3.11Å; T220-E222 VanDerWaalsContact C-N 3.31Å; T220-E222 PolarHBondContact O-N 3.46Å; T220-Q223 HydrophobicContact CG2-CB 3.77Å; T220-Q223 PolarHBondContact O-N 2.97Å; T220-Q223 VanDerWaalsContact O-N 3.11Å; T220-M224 PolarHBondContact O-N 3.06Å; T220-M224 VanDerWaalsContact O-N 3.16Å
221R61.2Low61.2Low146 Ų146117.2 Ų117.255%0.55162%0.621SS**Hα-helixtrans-55.8-44.6-179.2-174.8-179.6175.91188.1112Q223 M224 E225R221-Q223 PolarHBondContact O-N 3.37Å; R221-M224 PolarHBondContact O-N 3.05Å; R221-E225 IonicContact CZ-OE1 3.25Å; R221-E225 IonicContact NE-OE1 3.17Å; R221-E225 IonicContact NE-OE2 2.67Å; R221-E225 PolarHBondContact NE-OE2 3.37Å; R221-E225 IonicContact NH2-OE1 2.79Å; R221-E225 PolarHBondContact NH2-OE1 3.02Å; R221-E225 VanDerWaalsContact O-CB 3.28Å; R221-E225 WeakPolarHBondContact O-CB 3.32Å; R221-E225 PolarHBondContact O-N 2.82Å
222E62.7Low61.1Low143 Ų143121 Ų12167%0.66862%0.62SS**Hα-helixtrans-64.7-26-178.4-166.8179.7178.700112.8T220T220-E222 VanDerWaalsContact C-N 3.31Å; T220-E222 PolarHBondContact O-N 3.46Å
223Q58.8Low60.9Low142 Ų142121.2 Ų121.266%0.66462%0.621SS**Hα-helixtrans-85.3-32.1179.7-151.4171.715.300112.2T220 R221T220-Q223 HydrophobicContact CG2-CB 3.77Å; T220-Q223 PolarHBondContact O-N 2.97Å; T220-Q223 VanDerWaalsContact O-N 3.11Å; R221-Q223 PolarHBondContact O-N 3.37Å
224M54.6Low60.6Low116 Ų116123.5 Ų123.557%0.57162%0.62SS**Hα-helixtrans-81.7-33.2176-169.5169.555.100112.2T220 R221 R226 Q227T220-M224 PolarHBondContact O-N 3.06Å; T220-M224 VanDerWaalsContact O-N 3.16Å; R221-M224 PolarHBondContact O-N 3.05Å; M224-R226 PolarHBondContact O-N 3.11Å; M224-Q227 CarbonylContact O-C 3.56Å; M224-Q227 PolarHBondContact O-N 2.88Å; M224-Q227 VanDerWaalsContact O-N 3.14Å
225E57.2Low60.7Low127 Ų127126.6 Ų126.659%0.59363%0.634SS**THydrogen-bonded Turntrans-70.1-15.9179.3-155.9158.6-141.300112.4R221R221-E225 IonicContact CZ-OE1 3.25Å; R221-E225 IonicContact NE-OE1 3.17Å; R221-E225 IonicContact NE-OE2 2.67Å; R221-E225 PolarHBondContact NE-OE2 3.37Å; R221-E225 IonicContact NH2-OE1 2.79Å; R221-E225 PolarHBondContact NH2-OE1 3.02Å; R221-E225 VanDerWaalsContact O-CB 3.28Å; R221-E225 WeakPolarHBondContact O-CB 3.32Å; R221-E225 PolarHBondContact O-N 2.82Å
226R54.4Low60.8Low204 Ų204126.4 Ų126.477%0.7763%0.633SS**THydrogen-bonded Turntrans-84.8-16.9172.5-76.7-174.7-177.3-141.63.5114.4M224M224-R226 PolarHBondContact O-N 3.11Å
227Q54.2Low61Low144 Ų144127.4 Ų127.467%0.67364%0.639SS**SBendtrans-113.8116.1176.5-68.3-176.5-14.600106.9M224M224-Q227 CarbonylContact O-C 3.56Å; M224-Q227 PolarHBondContact O-N 2.88Å; M224-Q227 VanDerWaalsContact O-N 3.14Å
228T50Low61.2Low99 Ų99130.8 Ų130.861%0.60765%0.65SS**  trans73.366.3169.271.90000116.2E230T228-E230 HydrophobicContact CG2-CG 3.85Å; T228-E230 WeakPolarHBondContact CG2-OE1 3.38Å; T228-E230 PolarHBondContact O-N 3.39Å
229A54.4Low61.4Low102 Ų102128 Ų12884%0.84365%0.649SS**  -61.267.812600000108.3S231A229-S231 PolarHBondContact O-N 3.2Å
230E59.7Low61Low106 Ų106134 Ų13450%0.49567%0.671SS.*  trans-68.492.4167.9-96169.4-151.200105.9T228 Y232T228-E230 HydrophobicContact CG2-CG 3.85Å; T228-E230 WeakPolarHBondContact CG2-OE1 3.38Å; T228-E230 PolarHBondContact O-N 3.39Å; E230-Y232 VanDerWaalsContact C-N 3.34Å; E230-Y232 HydrophobicContact CB-CE2 4.24Å; E230-Y232 VanDerWaalsContact O-CD2 3.23Å; E230-Y232 WeakPolarHBondContact O-CD2 3.45Å; E230-Y232 PolarHBondContact O-N 3.12Å; E230-Y232 PolarHBondContact OE2-OH 3.27Å
231S61.3Low61.1Low89 Ų89136.2 Ų136.262%0.62269%0.685SS**  trans-59.698.4166.8172.20000108.1A229 F233A229-S231 PolarHBondContact O-N 3.2Å; S231-F233 PolarHBondContact O-N 2.87Å; S231-F233 VanDerWaalsContact O-N 3.09Å
232Y63Low61.3Low206 Ų206134.3 Ų134.381%0.80869%0.692SS**  trans-69.76.9171.7-66.9-75000113.5E230 Y234E230-Y232 VanDerWaalsContact C-N 3.34Å; E230-Y232 HydrophobicContact CB-CE2 4.24Å; E230-Y232 VanDerWaalsContact O-CD2 3.23Å; E230-Y232 WeakPolarHBondContact O-CD2 3.45Å; E230-Y232 PolarHBondContact O-N 3.12Å; E230-Y232 PolarHBondContact OE2-OH 3.27Å; Y232-Y234 PolarHBondContact O-N 3.4Å
233F60.3Low61.5Low174 Ų174136.9 Ų136.976%0.76370%0.704SS**SBendtrans-71.2119.9168.3-105.8-92.8000109.2S231 V235S231-F233 PolarHBondContact O-N 2.87Å; S231-F233 VanDerWaalsContact O-N 3.09Å; F233-V235 VanDerWaalsContact C-N 3.34Å; F233-V235 PolarHBondContact O-N 3.31Å
234Y64Low62Low201 Ų201136.9 Ų136.979%0.78871%0.706SS**  trans-62.998.1167.4179.6-104.5000108.4Y232 P236Y232-Y234 PolarHBondContact O-N 3.4Å; Y234-P236 HydrophobicContact CE1-CB 3.88Å; Y234-P236 HydrophobicContact CE1-CG 4.28Å; Y234-P236 WeakPolarHBondContact O-CD 3.31Å
235V69.4Low62.5Low106 Ų106139.3 Ų139.364%0.64272%0.722SS**  trans-94.6106.2166.9-177.20000105.3F233 D237F233-V235 VanDerWaalsContact C-N 3.34Å; F233-V235 PolarHBondContact O-N 3.31Å; V235-D237 PolarHBondContact O-N 2.97Å
236P65.8Low63.2Low77 Ų77136.4 Ų136.450%0.571%0.713SS.*  trans-62.5114.8175.424.2-30.4000108.2Y234 L238Y234-P236 HydrophobicContact CE1-CB 3.88Å; Y234-P236 HydrophobicContact CE1-CG 4.28Å; Y234-P236 WeakPolarHBondContact O-CD 3.31Å; P236-L238 PolarHBondContact O-N 2.81Å; P236-L238 VanDerWaalsContact O-N 3.09Å
237D66.7Low63.9Low160 Ų160130.9 Ų130.986%0.85670%0.703SS**  trans-64.2110.9168.6-105.4-15.8000107.3V235 G239V235-D237 PolarHBondContact O-N 2.97Å; D237-G239 VanDerWaalsContact C-N 3.28Å; D237-G239 PolarHBondContact O-N 2.95Å
238L64.3Low64.4Low155 Ų155130.1 Ų130.181%0.81271%0.714SS**  trans-66.397.6163-72.9135.6000105.1P236 V241P236-L238 PolarHBondContact O-N 2.81Å; P236-L238 VanDerWaalsContact O-N 3.09Å; L238-V241 HydrophobicContact CB-CG2 4.49Å
239G71Confident65Low56 Ų56133 Ų13358%0.57772%0.715SS**  trans-52.4173.6173.300000111.7D237 V241D237-G239 VanDerWaalsContact C-N 3.28Å; D237-G239 PolarHBondContact O-N 2.95Å; G239-V241 WeakPolarHBondContact O-CG2 3.15Å; G239-V241 PolarHBondContact O-N 3.44Å
240Q63.6Low65.6Low205 Ų205131.9 Ų131.996%0.95869%0.694SS**  trans-45.998.7-175.2-85.8170.7-23.100112.8P242Q240-P242 WeakPolarHBondContact O-CD 3.41Å
241V65.9Low65.8Low103 Ų103132.2 Ų132.262%0.62471%0.706SS**  trans-76.7120.3171.3178.80000105.6L238 G239 E243L238-V241 HydrophobicContact CB-CG2 4.49Å; G239-V241 WeakPolarHBondContact O-CG2 3.15Å; G239-V241 PolarHBondContact O-N 3.44Å; V241-E243 PolarHBondContact O-N 3.38Å
242P65.7Low65.9Low106 Ų106135.2 Ų135.269%0.68872%0.715SS**  trans-56.2124.6174.4-23.233.6000109.6Q240 I244Q240-P242 WeakPolarHBondContact O-CD 3.41Å; P242-I244 WeakPolarHBondContact O-CG1 3.4Å; P242-I244 PolarHBondContact O-N 2.98Å; P242-I244 VanDerWaalsContact O-N 3.08Å
243E67.6Low65.9Low197 Ų197129.1 Ų129.192%0.92170%0.696SS**  trans-66.1108.8171.6-72.2-178.117500108V241 D245V241-E243 PolarHBondContact O-N 3.38Å; E243-D245 PolarHBondContact O-N 2.72Å
244I68.8Low66.1Low141 Ų141127.1 Ų127.172%0.72370%0.7SS**  trans-85.9104.4176.3-37.9177.8000106.4P242 V246P242-I244 WeakPolarHBondContact O-CG1 3.4Å; P242-I244 PolarHBondContact O-N 2.98Å; P242-I244 VanDerWaalsContact O-N 3.08Å; I244-V246 VanDerWaalsContact C-N 3.32Å; I244-V246 HydrophobicContact CB-CG2 3.98Å; I244-V246 HydrophobicContact CG2-CG2 3.42Å; I244-V246 VanDerWaalsContact CG2-CG2 3.42Å; I244-V246 PolarHBondContact O-N 3.12Å
245D65.9Low66.1Low167 Ų167121.6 Ų121.689%0.89370%0.704SS**  trans-75.587174.7-168.416.1000109.1E243E243-D245 PolarHBondContact O-N 2.72Å
246V70.8Confident65.9Low66 Ų66121.8 Ų121.840%0.470%0.701SS.*  trans-104.2130179.7-170.20000108.9I244 L250I244-V246 VanDerWaalsContact C-N 3.32Å; I244-V246 HydrophobicContact CB-CG2 3.98Å; I244-V246 HydrophobicContact CG2-CG2 3.42Å; I244-V246 VanDerWaalsContact CG2-CG2 3.42Å; I244-V246 PolarHBondContact O-N 3.12Å; V246-L250 HydrophobicContact CG1-CD1 3.94Å; V246-L250 HydrophobicContact CG1-CD2 3.43Å; V246-L250 VanDerWaalsContact CG1-CD2 3.43Å; V246-L250 HydrophobicContact CG1-CG 3.76Å
247P69.7Low65.4Low88 Ų88121.1 Ų121.157%0.57170%0.701SS**  trans-58.7143.2176.320.9-30.3000111.2Y249P247-Y249 PolarHBondContact O-N 2.79Å
248S65Low65.1Low129 Ų129117.4 Ų117.490%0.90268%0.682SS**SBendtrans-59.7-17-173.3-38.10000114.6
249Y61.2Low65.1Low158 Ų158116.6 Ų116.662%0.6268%0.678SS**SBendtrans-123.3114.1172.2-97.1-89.9000108.6P247 P251 D258P247-Y249 PolarHBondContact O-N 2.79Å; Y249-P251 WeakPolarHBondContact O-CD 3.25Å; Y249-D258 HydrophobicContact CE1-CB 4.39Å
250L66.8Low64.4Low80 Ų80120.9 Ų120.942%0.41969%0.687SS.*  trans-92.4110.2174.9-81.4169.4000108.8V246 D252 L253V246-L250 HydrophobicContact CG1-CD1 3.94Å; V246-L250 HydrophobicContact CG1-CD2 3.43Å; V246-L250 VanDerWaalsContact CG1-CD2 3.43Å; V246-L250 HydrophobicContact CG1-CG 3.76Å; L250-D252 PolarHBondContact O-N 3.09Å; L250-L253 HydrophobicContact CB-CD1 3.85Å; L250-L253 HydrophobicContact CD1-CD1 3.85Å; L250-L253 HydrophobicContact CG-CD1 4.46Å
251P65.6Low64.1Low113 Ų113116.2 Ų116.273%0.73468%0.677SS**SBendtrans-69.6130-179.126.8-32000111.6Y249Y249-P251 WeakPolarHBondContact O-CD 3.25Å
252D62Low63.6Low152 Ų152121.2 Ų121.281%0.81369%0.686SS**  trans62.761.1166.2-67-30000117.4L250 P254L250-D252 PolarHBondContact O-N 3.09Å; D252-P254 VanDerWaalsContact O-CD 3.27Å; D252-P254 WeakPolarHBondContact O-CD 3.43Å
253L63.5Low63.2Low78 Ų78121.5 Ų121.541%0.40869%0.69SS.*  trans-90.6104.6162-84.7148.5000110.9L250 G255 I256L250-L253 HydrophobicContact CB-CD1 3.85Å; L250-L253 HydrophobicContact CD1-CD1 3.85Å; L250-L253 HydrophobicContact CG-CD1 4.46Å; L253-G255 PolarHBondContact O-N 3.42Å; L253-I256 HydrophobicContact CB-CB 4.17Å; L253-I256 HydrophobicContact CB-CD1 4.09Å; L253-I256 HydrophobicContact CB-CG1 4.31Å; L253-I256 HydrophobicContact CD1-CD1 4.28Å; L253-I256 HydrophobicContact CD2-CD1 4.06Å; L253-I256 HydrophobicContact CG-CD1 4.37Å; L253-I256 PolarHBondContact O-N 3.24Å
254P65.4Low62.5Low132 Ų132114.4 Ų114.486%0.85767%0.666SS**THydrogen-bonded Turntrans-65.5109.9-179.826-33.3000110.7D252D252-P254 VanDerWaalsContact O-CD 3.27Å; D252-P254 WeakPolarHBondContact O-CD 3.43Å
255G63.3Low61.9Low84 Ų84115.2 Ų115.287%0.86667%0.672SS**THydrogen-bonded Turntrans107.44.217600000116L253L253-G255 PolarHBondContact O-N 3.42Å
256I64.4Low61.6Low111 Ų111114.5 Ų114.557%0.56967%0.667SS**SBendtrans-114.1137.3174.1-55.6179.3000108.5L253L253-I256 HydrophobicContact CB-CB 4.17Å; L253-I256 HydrophobicContact CB-CD1 4.09Å; L253-I256 HydrophobicContact CB-CG1 4.31Å; L253-I256 HydrophobicContact CD1-CD1 4.28Å; L253-I256 HydrophobicContact CD2-CD1 4.06Å; L253-I256 HydrophobicContact CG-CD1 4.37Å; L253-I256 PolarHBondContact O-N 3.24Å
257A56.8Low61.1Low62 Ų62113.2 Ų113.251%0.51267%0.667SS.*  trans-84.8119.4179.900000110.7D259 L260A257-D259 PolarHBondContact O-N 3.1Å; A257-L260 HydrophobicContact CB-CD1 4.23Å; A257-L260 HydrophobicContact CB-CG 4.27Å
258D60.7Low60.5Low83 Ų83115.4 Ų115.444%0.44468%0.681SS.*THydrogen-bonded Turntrans-74.62.3-179.8-96.3-6.7000115Y249Y249-D258 HydrophobicContact CE1-CB 4.39Å
259D62.6Low60Low138 Ų138112.2 Ų112.274%0.73867%0.669SS**THydrogen-bonded Turntrans-10712.9-177.9-165.826.2000112.9A257 S261A257-D259 PolarHBondContact O-N 3.1Å; D259-S261 PolarHBondContact O-N 3.23Å; D259-S261 VanDerWaalsContact O-N 3.15Å
260L56.4Low59.3Low145 Ų145114.8 Ų114.876%0.75968%0.684SS**  trans-87.781.1178.9-67.6174000110.6A257 Y262A257-L260 HydrophobicContact CB-CD1 4.23Å; A257-L260 HydrophobicContact CB-CG 4.27Å; L260-Y262 PolarHBondContact O-N 2.89Å
261S57.6Low58.3Low108 Ų108114.4 Ų114.476%0.75569%0.692SS**  trans-78.2109.3163.853.50000109.7D259 S263D259-S261 PolarHBondContact O-N 3.23Å; D259-S261 VanDerWaalsContact O-N 3.15Å; S261-S263 PolarHBondContact O-N 3.06Å
262Y54.9Low57.4Low208 Ų208115.7 Ų115.782%0.81670%0.7SS**  trans-8987.8177.6-162.2-99.9000109.8L260 A264L260-Y262 PolarHBondContact O-N 2.89Å; Y262-A264 HydrophobicContact CD1-CB 3.71Å; Y262-A264 HydrophobicContact CE1-CB 3.29Å; Y262-A264 PolarHBondContact O-N 3.32Å
263S57.7Low56.8Low111 Ų111113.6 Ų113.678%0.77670%0.697SS**  trans-87.284.9165.448.60000109.2S261 D265S261-S263 PolarHBondContact O-N 3.06Å; S263-D265 VanDerWaalsContact C-N 3.29Å; S263-D265 PolarHBondContact O-N 2.89Å
264A53.3Low56.1Low49 Ų49112.2 Ų112.241%0.40570%0.702SS.*  trans-73.985.7169.800000109.2Y262 L266Y262-A264 HydrophobicContact CD1-CB 3.71Å; Y262-A264 HydrophobicContact CE1-CB 3.29Å; Y262-A264 PolarHBondContact O-N 3.32Å; A264-L266 HydrophobicContact CB-CG 4.05Å; A264-L266 PolarHBondContact O-N 2.67Å
265D56Low55.4Low158 Ų158112.6 Ų112.685%0.84570%0.704SS**  trans-71.982156.2-168.319.9000106.7S263 G267S263-D265 VanDerWaalsContact C-N 3.29Å; S263-D265 PolarHBondContact O-N 2.89Å; D265-G267 PolarHBondContact O-N 3.17Å
266L59Low54.7Low151 Ų151114.7 Ų114.779%0.79170%0.701SS**  trans-68.785.8174.2-71.1169000107.2A264A264-L266 HydrophobicContact CB-CG 4.05Å; A264-L266 PolarHBondContact O-N 2.67Å
267G60.3Low53.7Low40 Ų40116.5 Ų116.541%0.41271%0.711SS.*PPolyproline II helixtrans-53.3165.6165.100000111.3D265 G269D265-G267 PolarHBondContact O-N 3.17Å; G267-G269 PolarHBondContact O-N 3.12Å
268P58.8Low53.5Low133 Ų133121.3 Ų121.386%0.86473%0.728SS**SBendtrans-47.5118.1-173.8-25.832.8000111.5
269G53.1Low52.9Low62 Ų62123.6 Ų123.664%0.63974%0.739SS**PPolyproline II helixtrans-56.8141.2-16700000113.7G267 A271G267-G269 PolarHBondContact O-N 3.12Å; G269-A271 PolarHBondContact O-N 3.23Å
270F47.9Very low52.2Low213 Ų213122.3 Ų122.393%0.93474%0.738SS**  trans-70.426-179.1-58.1-85.5000114.7
271A44Very low51.6Low72 Ų72124.7 Ų124.760%0.59575%0.745SS**  trans-85.7126.6174.100000109.5G269 S273G269-A271 PolarHBondContact O-N 3.23Å; A271-S273 PolarHBondContact O-N 3.47Å
272P48.1Very low51Low139 Ų139126.8 Ų126.890%0.90375%0.747SS**SBendtrans-78.125.8-172.733.3-35.3000113.9
273S47.9Very low50.5Low108 Ų108122.1 Ų122.176%0.75574%0.742SS**  trans-147.474.6-175.638.60000110.8A271A271-S273 PolarHBondContact O-N 3.47Å
274G50Low49.6Very low49 Ų49122.5 Ų122.551%0.50575%0.745SS.*SBendtrans-139.2146.3161.200000109T276G274-T276 PolarHBondContact O-N 3.03Å
275P50.8Low49Very low140 Ų140129.5 Ų129.591%0.90977%0.767SS**SBendtrans-8360.3-17036-35.3000111.4
276T47.4Very low48.2Very low129 Ų129127.7 Ų127.779%0.79177%0.766SS**  trans-145.775.4168.657.30000109.3G274 N278G274-T276 PolarHBondContact O-N 3.03Å; T276-N278 PolarHBondContact O-N 3.26Å; T276-N278 VanDerWaalsContact O-N 3.15Å
277L43.8Very low47.3Very low149 Ų149124.2 Ų124.278%0.7877%0.767SS**  trans-73.895.2168.3-83.6158.2000109.1I279L277-I279 HydrophobicContact CD2-CD1 3.56Å; L277-I279 HydrophobicContact CD2-CG1 3.82Å
278N52.1Low46.1Very low162 Ų162131.1 Ų131.187%0.86679%0.789SS**  trans-111.888.3155.8-113-14.7000106.9T276T276-N278 PolarHBondContact O-N 3.26Å; T276-N278 VanDerWaalsContact O-N 3.15Å
279I48.2Very low45.3Very low131 Ų131128.1 Ų128.167%0.67278%0.782SS**PPolyproline II helixtrans-82129175.6-67.3165.6000108.1L277 E281L277-I279 HydrophobicContact CD2-CD1 3.56Å; L277-I279 HydrophobicContact CD2-CG1 3.82Å; I279-E281 PolarHBondContact O-N 2.69Å
280P48Very low44.2Very low112 Ų112131.9 Ų131.973%0.72779%0.792SS**PPolyproline II helixtrans-68.3126.1168.4-13.127.8000110.3L282P280-L282 PolarHBondContact O-N 3.1Å
281E43.6Very low43.6Very low194 Ų194126.7 Ų126.791%0.90778%0.782SS**PPolyproline II helixtrans-65.9119.2178.1-167.9173.1-176.600110.8I279I279-E281 PolarHBondContact O-N 2.69Å
282L45.8Very low43.3Very low153 Ų153129.1 Ų129.180%0.80179%0.792SS**PPolyproline II helixtrans-83.6151.3174.2-71.2170.5000110.4P280 S284P280-L282 PolarHBondContact O-N 3.1Å; L282-S284 PolarHBondContact O-N 2.8Å
283P44.3Very low42.6Very low110 Ų110126.1 Ų126.171%0.71479%0.786SS**PPolyproline II helixtrans-64.5127.7-172.8-14.728000112F285P283-F285 PolarHBondContact O-N 3.46Å
284S40.1Very low42.1Very low119 Ų119127.2 Ų127.283%0.83279%0.79SS**PPolyproline II helixtrans-72.6119.7174.9-164.10000110.3L282 S286L282-S284 PolarHBondContact O-N 2.8Å; S284-S286 PolarHBondContact O-N 3.2Å
285F39.8Very low41.7Very low196 Ų196133.7 Ų133.786%0.8681%0.808SS**PPolyproline II helixtrans-78.1116.2167.3-70.6-82.4000108.5P283 G287P283-F285 PolarHBondContact O-N 3.46Å; F285-G287 PolarHBondContact O-N 3.33Å
286S38.7Very low40.9Very low119 Ų119135.3 Ų135.383%0.83281%0.808SS**  trans-58.2103.2174.739.70000111.2S284 E288S284-S286 PolarHBondContact O-N 3.2Å; S286-E288 PolarHBondContact O-N 3.44Å
287G40.4Very low40.4Very low78 Ų78137 Ų13780%0.80481%0.807SS**  trans-72.1103.7162.600000109.2F285 G289F285-G287 PolarHBondContact O-N 3.33Å; G287-G289 PolarHBondContact O-N 3.5Å
288E35Very low40Very low186 Ų186137.5 Ų137.587%0.86981%0.81SS**  trans-71118.2174.6-156.5168.3170.700109.1S286S286-E288 PolarHBondContact O-N 3.44Å
289G42.3Very low39.5Very low70 Ų70136.7 Ų136.772%0.72281%0.806SS**  trans-73.6140.8174.200000111.1G287G287-G289 PolarHBondContact O-N 3.5Å
290V30.8Very low39.3Very low140 Ų140137.8 Ų137.885%0.84881%0.812SS**  trans-135.3124.1164-175.90000110.1
291S35.1Very low39.6Very low104 Ų104137.9 Ų137.973%0.72781%0.813SS**  trans-48.4160.1173.7-173.20000115.2
292P37.8Very low40.4Very low124 Ų124134.1 Ų134.181%0.80581%0.805SS**  trans-84.2139.9178.532.6-32.5000114.2
293G32.5Very low41Very low75 Ų75132.6 Ų132.677%0.77380%0.804SS**  trans103.8148.3159.900000116.3
294P38.3Very low42Very low131 Ų131132.9 Ų132.985%0.85181%0.806SS**  cis-126.8176.511.338.8-20.9000115.7
295E41.1Very low43.3Very low186 Ų186132.7 Ų132.787%0.86980%0.802SS**  trans-51.4137.8178.8-61.1-176.5113.100115.4
296L34.2Very low44.3Very low174 Ų174128.9 Ų128.991%0.91180%0.797SS**  trans-128.9118.6153.1-89.4171.3000109.8N298L296-N298 PolarHBondContact O-N 2.65Å
297Q37.2Very low45.7Very low165 Ų165128.8 Ų128.877%0.77179%0.794SS**  trans-56.8120.8178.2-72.4162.2-3100112.1
298N35Very low46.8Very low159 Ų159130.7 Ų130.785%0.8579%0.792SS**  trans-97.396.4154.3-97.7-15.5000108.3L296 L300L296-N298 PolarHBondContact O-N 2.65Å; N298-L300 PolarHBondContact O-N 3.37Å
299N41.7Very low48Very low144 Ų144127.4 Ų127.477%0.7779%0.786SS**  trans-72.999.1167.2-86.7-23.4000109.7
300L43.2Very low49.1Very low154 Ų154129.6 Ų129.681%0.80679%0.788SS**  trans-121.1127.4156.9-80.2161.7000107.6N298N298-L300 PolarHBondContact O-N 3.37Å
301P54Low50.1Low115 Ų115128.7 Ų128.775%0.74779%0.785SS**PPolyproline II helixtrans-70.7148.3-177.727.9-32.3000111.4
302P61.8Low50.7Low115 Ų115129.7 Ų129.775%0.74779%0.792SS**PPolyproline II helixtrans-69.2152.6177.828.8-34.1000111.8
303P57.8Low51Low120 Ų120132.7 Ų132.778%0.77980%0.795SS**PPolyproline II helixtrans-65.3147.4174.528.3-33.9000111.2
304P65.9Low51.6Low116 Ų116134.6 Ų134.675%0.75379%0.794SS**PPolyproline II helixtrans-68.3150.4-177.327.6-34.1000112.4
305P67.2Low51.8Low116 Ų116133.1 Ų133.175%0.75379%0.793SS**PPolyproline II helixtrans-68152.6177.428.4-34.3000112.2
306P60.9Low51.9Low116 Ų116132.3 Ų132.375%0.75379%0.794SS**PPolyproline II helixtrans-65.9147177.127.5-33.7000111.8
307P66.6Low52.5Low117 Ų117129.3 Ų129.376%0.7679%0.785SS**PPolyproline II helixtrans-68.9147.3-178.527.5-33.6000112.3
308P64.1Low52.8Low117 Ų117127.5 Ų127.576%0.7679%0.788SS**PPolyproline II helixtrans-69.6150177.528.4-33.9000112.2
309P60.8Low52.8Low117 Ų117126.7 Ų126.776%0.7679%0.788SS**PPolyproline II helixtrans-68.6143.2177.728.2-33.5000111.7
310P64.9Low52.8Low116 Ų116124.2 Ų124.275%0.75379%0.788SS**PPolyproline II helixtrans-70.3149.9178.927.9-33.4000112.4
311P51.3Low52.8Low121 Ų121123 Ų12379%0.78679%0.789SS**PPolyproline II helixtrans-68.1143.6-179.727.6-32.8000112
312S48Very low52Low126 Ų126123.5 Ų123.588%0.88180%0.796SS**PPolyproline II helixtrans-75.7129.8173.8-53.90000110.9
313E45.4Very low50.8Low186 Ų186121.9 Ų121.987%0.86980%0.799SS**  trans-131.5159.1171.4-97.9-164.6171.600111.1
314P45.4Very low50.1Low116 Ų116120.6 Ų120.675%0.75380%0.799SS**  trans-88.1157.1-134.5-826.3000115.8
315A42.2Very low49.1Very low100 Ų100120.9 Ų120.983%0.82680%0.801SS**  trans-60.2135.4174.700000113.5
316L42.3Very low48.4Very low168 Ų168121.1 Ų121.188%0.8880%0.802SS**  trans-130.5155.2163.7-79.2175.5000110.3
317P46.3Very low48.1Very low111 Ų111121.2 Ų121.272%0.72180%0.803SS**  trans-91.7176.6-145.939.3-38000114.3
318P43.1Very low47.6Very low128 Ų128121.2 Ų121.283%0.83180%0.803SS**  trans-87.5143.4-157.935-31.4000113.2
319T36.4Very low47.4Very low141 Ų141121.4 Ų121.487%0.86580%0.804SS**  trans-121.3118.8165.248.60000109.8
320A41.3Very low47.3Very low93 Ų93121.5 Ų121.577%0.76981%0.805SS**  trans-88.2-176.4164.700000110.1
321P43.7Very low47Very low128 Ų128121.8 Ų121.883%0.83181%0.807SS**  -123.3164.2-61.734.6-20.4000111
322S36.1Very low47.3Very low126 Ų126121.6 Ų121.688%0.88181%0.806SS**  trans-150.7110.3161.7-174.30000113.1
323G38.2Very low47.5Very low80 Ų80121 Ų12183%0.82580%0.799SS**  trans43.2103.6141.700000121
324A41.1Very low47.8Very low94 Ų94118.3 Ų118.378%0.77780%0.797SS**  trans-128144.515100000109.4
325P45.7Very low47.4Very low121 Ų121118.9 Ų118.979%0.78680%0.799SS**PPolyproline II helixtrans-75.8157.3-172.231.5-34.6000112.9
326P52.6Low47.3Very low121 Ų121121.2 Ų121.279%0.78680%0.796SS**PPolyproline II helixtrans-76.2150.3-174.230.5-34.6000113.5
327P53.9Low46.9Very low118 Ų118121.8 Ų121.877%0.76679%0.794SS**PPolyproline II helixtrans-74.5155.5174.330.8-34.4000112.9
328P57.6Low46.6Very low118 Ų118122.9 Ų122.977%0.76679%0.793SS**PPolyproline II helixtrans-71.2153.1-178.429.1-35.1000113.6
329P58.8Low46.4Very low120 Ų120122.9 Ų122.978%0.77979%0.793SS**PPolyproline II helixtrans-76.9153.1-176.630.5-35000114.1
330P58.4Low46.2Very low120 Ų120121.6 Ų121.678%0.77978%0.784SS**PPolyproline II helixtrans-75.7154.2175.930.8-34.5000113.4
331P59.8Low45.9Very low121 Ų121125.7 Ų125.779%0.78679%0.788SS**PPolyproline II helixtrans-72.9149.9179.628.6-33.9000113.8
332P56.1Low45.3Very low117 Ų117124.1 Ų124.176%0.7679%0.785SS**PPolyproline II helixtrans-79.8156.2-175.331.2-35.1000114.7
333P52.9Low45.2Very low114 Ų114124.4 Ų124.474%0.7478%0.782SS**PPolyproline II helixtrans-76.7151.8177.631.4-34.3000113
334P52.1Low45.3Very low129 Ų129126.4 Ų126.484%0.83878%0.78SS**PPolyproline II helixtrans-73.5136.417827.4-31.8000113.2
335T36.3Very low44.7Very low129 Ų129128.1 Ų128.179%0.79178%0.781SS**PPolyproline II helixtrans-69.1137178.8-50.30000112.5
336I40.6Very low44.5Very low148 Ų148128.2 Ų128.276%0.75978%0.782SS**PPolyproline II helixtrans-81.7123.6168.9-67.3163.8000108.2I338I336-I338 HydrophobicContact CG2-CG1 4.09Å
337E34.3Very low43.4Very low181 Ų181127.8 Ų127.885%0.84678%0.782SS**  trans-111.8123.2163.8-72.1-168.6169.700109.9
338I39.9Very low42.4Very low134 Ų134127.9 Ų127.969%0.68779%0.785SS**  trans-101.2139.6169.6-52.2167.4000106.4I336 V340I336-I338 HydrophobicContact CG2-CG1 4.09Å; I338-V340 HydrophobicContact CG2-CG2 4.24Å
339P38.2Very low41.1Very low128 Ų128125.5 Ų125.583%0.83178%0.782SS**  trans-122.9149.2139.90.720.7000113.6
340V33.5Very low40.2Very low114 Ų114125.3 Ų125.369%0.69178%0.781SS**  trans-96.1134.8-166.3159.50000111.3I338I338-V340 HydrophobicContact CG2-CG2 4.24Å
341E33.4Very low38.8Very low179 Ų179126.3 Ų126.384%0.83678%0.784SS**  trans67.3121.8136.1-157.5161.3-159.200122.7
342A32.8Very low37.5Very low94 Ų94126.4 Ų126.478%0.77779%0.788SS**  173.8130.1111.500000113
343T33Very low36.7Very low132 Ų132124.5 Ų124.581%0.8179%0.789SS**  trans-62.3169.617339.60000115.1
344P40.1Very low35.7Very low123 Ų123123.4 Ų123.480%0.79979%0.79SS**  cis-146.8165.237.138.5-15.1000120.7
345T28.1Very low34.9Very low129 Ų129123.3 Ų123.379%0.79179%0.79SS**  trans-61.2171.616444.60000114.2
346P41.1Very low35.1Very low124 Ų124123 Ų12381%0.80579%0.793SS**  cis-137.217236.436.3-13.2000114.7
347S29.8Very low35.4Very low112 Ų112124.6 Ų124.678%0.78380%0.797SS**  -179.515254.9176.90000111
348S32.8Very low35.9Very low119 Ų119122.7 Ų122.783%0.83280%0.798SS**  trans80.9115.5155.6-1530000121
349G30.7Very low36.2Very low68 Ų68122.3 Ų122.370%0.70180%0.801SS**  trans-84.9-151.8173.400000114.3
350P40.6Very low36.6Very low117 Ų117125.1 Ų125.176%0.7680%0.803SS**  cis-135.7175.8-2.739.7-19.6000116.4
351V29.5Very low37.2Very low140 Ų140124.4 Ų124.485%0.84880%0.801SS**  trans62.1135.9154.7-640000124.8
352S32.1Very low38.3Very low124 Ų124119.8 Ų119.887%0.86779%0.789SS**  trans111.2126.9137.3-148.90000117.5
353G38.3Very low39.7Very low76 Ų76122.1 Ų122.178%0.78479%0.788SS**  trans-80.1147.8-17100000115.4
354A31.8Very low41.5Very low92 Ų92118.4 Ų118.476%0.7678%0.775SS**  trans-166.1145153.700000108.2
355P36.7Very low43.2Very low127 Ų127120.5 Ų120.583%0.82577%0.768SS**  trans-72.7140.7-175.728.4-31.8000112.8E357P355-E357 PolarHBondContact O-N 3.44Å
356S40.8Very low45.5Very low123 Ų123116.6 Ų116.686%0.8675%0.748SS**SBendtrans-66.190.3174-79.30000112.2
357E45.4Very low47.4Very low180 Ų180114.1 Ų114.184%0.84173%0.734SS**  trans-139.645.9163.2-156.1-179.8171.300111.7P355P355-E357 PolarHBondContact O-N 3.44Å
358V46.2Very low49.9Very low142 Ų142113.6 Ų113.686%0.86172%0.722SS**  trans-138.153168.5-163.40000110.2
359V45.4Very low52.2Low126 Ų126111.8 Ų111.876%0.76470%0.702SS**SBendtrans-126.37.8176.8-179.90000113.3
360Q45.8Very low54.4Low186 Ų186113.2 Ų113.287%0.86969%0.691SS**  trans-137.7100.5168.6-66.5-168.32000111.6S362Q360-S362 PolarHBondContact O-N 3.45Å
361P47.4Very low56.2Low99 Ų99110.8 Ų110.864%0.64368%0.677SS**  trans-66.1127.9164.628.9-29.3000107.2D363P361-D363 PolarHBondContact O-N 2.75Å
362S55.2Low58.2Low83 Ų83108.8 Ų108.858%0.5866%0.66SS**  trans-45.5138.3178.357.70000111.9Q360 G364 R365 A366Q360-S362 PolarHBondContact O-N 3.45Å; S362-G364 PolarHBondContact O-N 2.87Å; S362-R365 PolarHBondContact O-N 2.85Å; S362-A366 PolarHBondContact O-N 2.96Å
363D63.3Low60.4Low143 Ų143111.1 Ų111.177%0.76565%0.65SS**Hα-helixtrans-48.8-27.2178.9-154.611000112.6P361 S367P361-D363 PolarHBondContact O-N 2.75Å; D363-S367 VanDerWaalsContact O-CB 3.32Å; D363-S367 WeakPolarHBondContact O-CB 3.21Å; D363-S367 PolarHBondContact O-N 2.7Å
364G70.8Confident61.9Low53 Ų53113.8 Ų113.855%0.54665%0.646SS.*Hα-helixtrans-66.6-37.9173.600000115S362 L368S362-G364 PolarHBondContact O-N 2.87Å; G364-L368 WeakPolarHBondContact O-CB 3.48Å; G364-L368 PolarHBondContact O-N 3.34Å; G364-L368 VanDerWaalsContact O-N 3.1Å
365R74.9Confident63.5Low168 Ų168113.2 Ų113.263%0.63464%0.641SS**Hα-helixtrans-77-35.9178.1-172.1174.5178.8172.5-0.7111.3S362 L368 L369S362-R365 PolarHBondContact O-N 2.85Å; R365-L368 PolarHBondContact O-N 3.32Å; R365-L369 HydrophobicContact CG-CD1 4.14Å; R365-L369 HydrophobicContact CG-CG 4.5Å; R365-L369 WeakPolarHBondContact O-CB 3.32Å; R365-L369 VanDerWaalsContact O-CG 3.29Å; R365-L369 WeakPolarHBondContact O-CG 3.47Å; R365-L369 PolarHBondContact O-N 2.74Å
366A77.8Confident64.3Low46 Ų46108.1 Ų108.138%0.3861%0.612SS.*Hα-helixtrans-64.5-47.8174.400000111.1S362 L368 L369 E370S362-A366 PolarHBondContact O-N 2.96Å; A366-L368 VanDerWaalsContact C-N 3.3Å; A366-L368 PolarHBondContact O-N 2.75Å; A366-L369 PolarHBondContact O-N 2.66Å; A366-E370 WeakPolarHBondContact O-CB 3.35Å; A366-E370 PolarHBondContact O-N 2.88Å
367S81Confident65.4Low72 Ų72105.4 Ų105.450%0.50360%0.603SS.*Hα-helixtrans-59.6-38.9174.6-177.60000112.4D363 E370 S371D363-S367 VanDerWaalsContact O-CB 3.32Å; D363-S367 WeakPolarHBondContact O-CB 3.21Å; D363-S367 PolarHBondContact O-N 2.7Å; S367-E370 PolarHBondContact O-N 2.96Å; S367-S371 WeakPolarHBondContact O-CB 3.16Å; S367-S371 PolarHBondContact O-N 2.71Å; S367-S371 PolarHBondContact O-OG 2.76Å
368L82Confident65.7Low101 Ų101105.9 Ų105.953%0.52961%0.61SS.*Hα-helixtrans-67-43.8177.2179.563.3000111.9G364 R365 A366 E370 S371 I372G364-L368 WeakPolarHBondContact O-CB 3.48Å; G364-L368 PolarHBondContact O-N 3.34Å; G364-L368 VanDerWaalsContact O-N 3.1Å; R365-L368 PolarHBondContact O-N 3.32Å; A366-L368 VanDerWaalsContact C-N 3.3Å; A366-L368 PolarHBondContact O-N 2.75Å; L368-E370 VanDerWaalsContact C-N 3.33Å; L368-S371 PolarHBondContact O-N 2.9Å; L368-I372 HydrophobicContact CD1-CD1 4.08Å; L368-I372 HydrophobicContact CD1-CG1 4.39Å; L368-I372 HydrophobicContact CG-CD1 3.88Å; L368-I372 WeakPolarHBondContact O-CB 3.31Å; L368-I372 WeakPolarHBondContact O-CG1 3.39Å; L368-I372 PolarHBondContact O-N 2.83Å
369L81.1Confident66.3Low82 Ų82102.4 Ų102.443%0.42960%0.603SS.*Hα-helixtrans-68.2-32.8177.4-69.7171.5000112R365 A366 R373R365-L369 HydrophobicContact CG-CD1 4.14Å; R365-L369 HydrophobicContact CG-CG 4.5Å; R365-L369 WeakPolarHBondContact O-CB 3.32Å; R365-L369 VanDerWaalsContact O-CG 3.29Å; R365-L369 WeakPolarHBondContact O-CG 3.47Å; R365-L369 PolarHBondContact O-N 2.74Å; A366-L369 PolarHBondContact O-N 2.66Å; L369-R373 WeakPolarHBondContact O-CB 2.93Å; L369-R373 WeakPolarHBondContact O-CG 3.36Å; L369-R373 PolarHBondContact O-N 3.32Å
370E77.1Confident66.9Low97 Ų97105.1 Ų105.145%0.45360%0.604SS.*Hα-helixtrans-65.1-45.9170.4-15472.3-15900111.3A366 S367 L368 I372 R373 N374A366-E370 WeakPolarHBondContact O-CB 3.35Å; A366-E370 PolarHBondContact O-N 2.88Å; S367-E370 PolarHBondContact O-N 2.96Å; L368-E370 VanDerWaalsContact C-N 3.33Å; E370-I372 VanDerWaalsContact C-N 3.35Å; E370-I372 PolarHBondContact O-N 3.01Å; E370-R373 PolarHBondContact O-N 3.15Å; E370-R373 IonicContact OE2-CZ 3.77Å; E370-R373 IonicContact OE2-NE 3.42Å; E370-R373 IonicContact OE2-NH2 3.19Å; E370-R373 PolarHBondContact OE2-NH2 3.4Å; E370-N374 WeakPolarHBondContact O-CB 3.45Å; E370-N374 PolarHBondContact O-N 2.9Å; E370-N374 PolarHBondContact O-ND2 2.98Å
371S78.1Confident67.3Low67 Ų6799.4 Ų99.447%0.46959%0.589SS.*Hα-helixtrans-63.1-38.1174.7-71.80000112.5S367 L368 N374 A375S367-S371 WeakPolarHBondContact O-CB 3.16Å; S367-S371 PolarHBondContact O-N 2.71Å; S367-S371 PolarHBondContact O-OG 2.76Å; L368-S371 PolarHBondContact O-N 2.9Å; S371-N374 PolarHBondContact O-N 2.86Å; S371-A375 WeakPolarHBondContact O-CB 3.24Å; S371-A375 PolarHBondContact O-N 3.05Å
372I70.6Confident68Low98 Ų98104.7 Ų104.750%0.50360%0.602SS.*Hα-helixtrans-69.1-39176.7-69.1165.6000110.9L368 E370 A375 G376L368-I372 HydrophobicContact CD1-CD1 4.08Å; L368-I372 HydrophobicContact CD1-CG1 4.39Å; L368-I372 HydrophobicContact CG-CD1 3.88Å; L368-I372 WeakPolarHBondContact O-CB 3.31Å; L368-I372 WeakPolarHBondContact O-CG1 3.39Å; L368-I372 PolarHBondContact O-N 2.83Å; E370-I372 VanDerWaalsContact C-N 3.35Å; E370-I372 PolarHBondContact O-N 3.01Å; I372-A375 PolarHBondContact O-N 3.25Å; I372-G376 PolarHBondContact O-N 2.97Å
373R78.1Confident68.2Low173 Ų173108.5 Ų108.565%0.65362%0.615SS**Hα-helixtrans-64.4-41.2173.3-78.8-174.9-71.2-160.23.9112.1L369 E370L369-R373 WeakPolarHBondContact O-CB 2.93Å; L369-R373 WeakPolarHBondContact O-CG 3.36Å; L369-R373 PolarHBondContact O-N 3.32Å; E370-R373 PolarHBondContact O-N 3.15Å; E370-R373 IonicContact OE2-CZ 3.77Å; E370-R373 IonicContact OE2-NE 3.42Å; E370-R373 IonicContact OE2-NH2 3.19Å; E370-R373 PolarHBondContact OE2-NH2 3.4Å
374N69.6Low68.4Low131 Ų131111.1 Ų111.170%0.70161%0.614SS**Hα-helixtrans-71.8-31176.8-73.2-21.9000113.3E370 S371 G376E370-N374 WeakPolarHBondContact O-CB 3.45Å; E370-N374 PolarHBondContact O-N 2.9Å; E370-N374 PolarHBondContact O-ND2 2.98Å; S371-N374 PolarHBondContact O-N 2.86Å; N374-G376 PolarHBondContact O-N 3.31Å
375A66.3Low67.9Low80 Ų80113.2 Ų113.266%0.66161%0.613SS**THydrogen-bonded Turntrans-75.4-6.4179.200000113.9S371 I372S371-A375 WeakPolarHBondContact O-CB 3.24Å; S371-A375 PolarHBondContact O-N 3.05Å; I372-A375 PolarHBondContact O-N 3.25Å
376G54.2Low67.2Low20 Ų20110.5 Ų110.521%0.20662%0.615CS.*  trans57.484.9163.400000114.5I372 N374I372-G376 PolarHBondContact O-N 2.97Å; N374-G376 PolarHBondContact O-N 3.31Å
377G63.4Low66.6Low66 Ų66113.7 Ų113.768%0.6863%0.625SS**THydrogen-bonded Turntrans-54.8143.4173.500000113.6G379G377-G379 PolarHBondContact O-N 3.38Å
378I51.6Low65.8Low190 Ų190116 Ų11697%0.97463%0.628SS**THydrogen-bonded Turntrans43.1-27.7163.8-39.5178.7000119.5
379G58.4Low64.9Low70 Ų70120.5 Ų120.572%0.72264%0.638SS**THydrogen-bonded Turntrans-121.5-2-175.700000116.6G377G377-G379 PolarHBondContact O-N 3.38Å
380K58.4Low64.1Low182 Ų182124.3 Ų124.379%0.79165%0.651SS**SBendtrans-125.5-2.1-176.4-70.6-90.5-179.2166.90114.9K382K380-K382 PolarHBondContact O-N 3.19Å; K380-K382 VanDerWaalsContact O-N 3.11Å
381A54.1Low63.2Low66 Ų66126.5 Ų126.555%0.54566%0.663SS.*  trans-66.8109.3169.500000109.2L383A381-L383 HydrophobicContact CB-CG 4.47Å; A381-L383 PolarHBondContact O-N 3.35Å
382K61.3Low62.5Low210 Ų210128.3 Ų128.391%0.91366%0.664SS**  trans-65.778.9170.3-94.3179.3174.5174.60109.5K380 R384K380-K382 PolarHBondContact O-N 3.19Å; K380-K382 VanDerWaalsContact O-N 3.11Å; K382-R384 PolarHBondContact O-N 3.03Å
383L59.2Low62.3Low163 Ų163131 Ų13185%0.85367%0.672SS**  trans-72.6112.3170.1-70.6170.7000108.4A381A381-L383 HydrophobicContact CB-CG 4.47Å; A381-L383 PolarHBondContact O-N 3.35Å
384R67.4Low61.7Low198 Ų198130.3 Ų130.375%0.74767%0.674SS**  trans-77.6141.7171.9-66.8-173.9-179.3160.40.6110.1K382K382-R384 PolarHBondContact O-N 3.03Å
385N61.3Low61.5Low98 Ų98131.7 Ų131.752%0.52467%0.674SS.*  trans-64.4136.9179.7-179-30.6000111N387 E388N385-N387 PolarHBondContact O-N 3.32Å; N385-N387 VanDerWaalsContact O-N 3.1Å; N385-N387 WeakPolarHBondContact OD1-CB 3.3Å; N385-N387 PolarHBondContact OD1-N 3.42Å; N385-E388 PolarHBondContact O-N 3.4Å; N385-E388 VanDerWaalsContact O-N 3.09Å
386V60Low61.3Low111 Ų111133 Ų13367%0.67367%0.666SS**Hα-helixtrans-54.3-27.1179.21730000113.3R389 K390V386-R389 PolarHBondContact O-N 3.23Å; V386-K390 PolarHBondContact O-N 3.31Å
387N66.3Low61.5Low112 Ų112139.7 Ų139.760%0.59969%0.69SS**Hα-helixtrans-72.3-33.9178.7-69.4-22.1000113.2N385 K390 M391N385-N387 PolarHBondContact O-N 3.32Å; N385-N387 VanDerWaalsContact O-N 3.1Å; N385-N387 WeakPolarHBondContact OD1-CB 3.3Å; N385-N387 PolarHBondContact OD1-N 3.42Å; N387-K390 PolarHBondContact O-N 2.99Å; N387-M391 PolarHBondContact O-N 3.45Å
388E63.8Low61.2Low121 Ų121144 Ų14457%0.56569%0.692SS**Hα-helixtrans-67.6-40.1173.3-81.2-178.1144.500111.1N385 K390 M391 E392N385-E388 PolarHBondContact O-N 3.4Å; N385-E388 VanDerWaalsContact O-N 3.09Å; E388-K390 PolarHBondContact O-N 3.07Å; E388-M391 PolarHBondContact O-N 2.97Å; E388-E392 WeakPolarHBondContact O-CB 3.36Å; E388-E392 PolarHBondContact O-N 3.12Å
389R61.8Low61.3Low195 Ų195142.1 Ų142.174%0.73668%0.679SS**Hα-helixtrans-62.7-29.2177.1-171.3-178.3-85.6-174.8-5.3112.2V386 K393V386-R389 PolarHBondContact O-N 3.23Å; R389-K393 WeakPolarHBondContact O-CB 3.35Å; R389-K393 PolarHBondContact O-N 3.15Å
390K65.4Low61.1Low162 Ų162146.6 Ų146.670%0.70468%0.681SS**Hα-helixtrans-79.8-32.2179.7-151.8175.2-176.3-179.30112.5V386 N387 E388 K394V386-K390 PolarHBondContact O-N 3.31Å; N387-K390 PolarHBondContact O-N 2.99Å; E388-K390 PolarHBondContact O-N 3.07Å; K390-K394 PolarHBondContact O-N 3.1Å
391M58.5Low60.7Low144 Ų144146.4 Ų146.471%0.70968%0.683SS**Hα-helixtrans-77.8-39.1176.1-69.1-70.6-86.400111.9N387 E388 K394 K395N387-M391 PolarHBondContact O-N 3.45Å; E388-M391 PolarHBondContact O-N 2.97Å; M391-K394 PolarHBondContact O-N 3.47Å; M391-K395 PolarHBondContact O-N 2.94Å; M391-K395 VanDerWaalsContact O-N 3.1Å
392E63.1Low60.4Low105 Ų105147.2 Ų147.249%0.49169%0.69SS.*Hα-helixtrans-70.8-35.8178.2-159167-148.300111.8E388 K394 K395 Q396E388-E392 WeakPolarHBondContact O-CB 3.36Å; E388-E392 PolarHBondContact O-N 3.12Å; E392-K394 VanDerWaalsContact C-N 3.33Å; E392-K394 PolarHBondContact O-N 3.25Å; E392-K395 PolarHBondContact O-N 3.26Å; E392-Q396 WeakPolarHBondContact O-CG 3.32Å; E392-Q396 PolarHBondContact O-N 3.29Å
393K66.5Low59.4Low154 Ų154143.3 Ų143.367%0.6768%0.684SS**Hα-helixtrans-72-23.9174.4-159.6170.3-171.1176.90113.3R389 K397R389-K393 WeakPolarHBondContact O-CB 3.35Å; R389-K393 PolarHBondContact O-N 3.15Å; K393-K397 VanDerWaalsContact O-CB 3.32Å; K393-K397 WeakPolarHBondContact O-CB 3.28Å; K393-K397 PolarHBondContact O-N 3.32Å
394K64.5Low58.2Low158 Ų158138.8 Ų138.869%0.68768%0.676SS**Hα-helixtrans-75.5-36.6170.6-166.8176.9178.2-174.70111.2K390 M391 E392 E398K390-K394 PolarHBondContact O-N 3.1Å; M391-K394 PolarHBondContact O-N 3.47Å; E392-K394 VanDerWaalsContact C-N 3.33Å; E392-K394 PolarHBondContact O-N 3.25Å; K394-E398 PolarHBondContact O-N 3.3Å
395K65.7Low57.1Low161 Ų161134.3 Ų134.370%0.768%0.682SS**Hα-helixtrans-72.7-35.2176.9-160.6174.4-178.2-178.40113M391 E392 Q399M391-K395 PolarHBondContact O-N 2.94Å; M391-K395 VanDerWaalsContact O-N 3.1Å; E392-K395 PolarHBondContact O-N 3.26Å; K395-Q399 PolarHBondContact O-N 3.32Å
396Q61.4Low55.8Low106 Ų106134 Ų13450%0.49569%0.693SS.*Hα-helixtrans-73-34.5174.7-73.3173.82.900112.6E392 E398 Q399 E400E392-Q396 WeakPolarHBondContact O-CG 3.32Å; E392-Q396 PolarHBondContact O-N 3.29Å; Q396-E398 VanDerWaalsContact C-N 3.25Å; Q396-E398 PolarHBondContact O-N 3.11Å; Q396-Q399 PolarHBondContact O-N 2.96Å; Q396-Q399 VanDerWaalsContact O-N 3.14Å; Q396-E400 PolarHBondContact O-N 2.99Å
397K59.5Low55.3Low162 Ų162134.5 Ų134.570%0.70470%0.701SS**Hα-helixtrans-68.9-22.6177.2-164174.3-177.6-175.10113.5K393K393-K397 VanDerWaalsContact O-CB 3.32Å; K393-K397 WeakPolarHBondContact O-CB 3.28Å; K393-K397 PolarHBondContact O-N 3.32Å
398E56.1Low54.1Low156 Ų156134.9 Ų134.973%0.72971%0.712SS**Hα-helixtrans-83.9-21.8174.1-147.8166.7-160.300112K394 Q396K394-E398 PolarHBondContact O-N 3.3Å; Q396-E398 VanDerWaalsContact C-N 3.25Å; Q396-E398 PolarHBondContact O-N 3.11Å
399Q55.3Low53.5Low151 Ų151133.2 Ų133.271%0.70673%0.728SS**Hα-helixtrans-89.8-27.6177.3-162.9167.317.100113.2K395 Q396 Q401K395-Q399 PolarHBondContact O-N 3.32Å; Q396-Q399 PolarHBondContact O-N 2.96Å; Q396-Q399 VanDerWaalsContact O-N 3.14Å; Q399-Q401 VanDerWaalsContact C-N 3.34Å
400E54.5Low53.5Low163 Ų163126.4 Ų126.476%0.76272%0.719SS**THydrogen-bonded Turntrans-81.5-6.4175.8-85.3-176.7148.500114.5Q396 A402Q396-E400 PolarHBondContact O-N 2.99Å; E400-A402 VanDerWaalsContact C-N 3.29Å
401Q49Very low54Low178 Ų178124.6 Ų124.683%0.83272%0.717SS**THydrogen-bonded Turntrans-861.2176.1-139.2170.730.400113.6Q399Q399-Q401 VanDerWaalsContact C-N 3.34Å
402A47.7Very low55.2Low84 Ų84125.3 Ų125.369%0.69472%0.716SS**SBendtrans-110.3-1.1-176.700000115.6E400E400-A402 VanDerWaalsContact C-N 3.29Å
403V40.5Very low55.8Low128 Ų128127.3 Ų127.378%0.77673%0.727SS**  trans-131.597.6177.5-168.60000110.1
404G34.3Very low56.4Low68 Ų68122.7 Ų122.770%0.70171%0.714SS**  trans-71.2151176.200000113.5
405A43Very low57.5Low104 Ų104119.2 Ų119.286%0.8670%0.703SS**  trans48.497.3147.400000118.5
406A35.6Very low58.6Low92 Ų92116.6 Ų116.676%0.7670%0.696SS**  176.3130.1123.800000111.7
407S47.9Very low59.8Low121 Ų121118.7 Ų118.785%0.84670%0.704SS**  trans3599.8152.867.70000118.9
408S41.8Very low61.1Low119 Ų119116.2 Ų116.283%0.83270%0.698SS**  trans-136113.2151.2-170.10000108.4G410S408-G410 PolarHBondContact O-N 3.31Å; S408-G410 VanDerWaalsContact O-N 3.15Å
409G50.6Low62.4Low86 Ų86115.7 Ų115.789%0.88769%0.694SS**  trans-63.5110.4-178.200000110.4
410G62.8Low63.8Low53 Ų53112.4 Ų112.455%0.54668%0.681SS.*  trans-82.2142.1-179.400000112.6S408S408-G410 PolarHBondContact O-N 3.31Å; S408-G410 VanDerWaalsContact O-N 3.15Å
411D76.3Confident65Low124 Ų124106.8 Ų106.866%0.66366%0.662SS**  trans-45.8144.5173-163.73.2000112.8M413 S414 D415D411-M413 PolarHBondContact O-N 3.33Å; D411-M413 VanDerWaalsContact O-N 3.07Å; D411-S414 PolarHBondContact N-OG 3.5Å; D411-S414 WeakPolarHBondContact O-CA 3.19Å; D411-S414 WeakPolarHBondContact O-CB 3.12Å; D411-S414 PolarHBondContact O-N 2.69Å; D411-S414 PolarHBondContact O-OG 3.04Å; D411-D415 PolarHBondContact O-N 2.94Å
412F82.3Confident66.4Low158 Ų158105 Ų10569%0.69366%0.656SS**Hα-helixtrans-55.4-34.8-170.2176.8-102000113.2S414 D415 L416F412-S414 VanDerWaalsContact C-N 3.32Å; F412-S414 PolarHBondContact O-N 3.09Å; F412-D415 PolarHBondContact O-N 2.92Å; F412-L416 WeakPolarHBondContact O-CB 3.27Å; F412-L416 PolarHBondContact O-N 3.09Å
413M77Confident68Low148 Ų148110 Ų11073%0.72966%0.656SS**Hα-helixtrans-66.6-31.5175.8-70.4178.766.300113.1D411 F417D411-M413 PolarHBondContact O-N 3.33Å; D411-M413 VanDerWaalsContact O-N 3.07Å; M413-F417 PolarHBondContact O-N 3.41Å; M413-F417 VanDerWaalsContact O-N 3.1Å
414S78.8Confident69.9Low56 Ų56112 Ų11239%0.39265%0.65SS.*Hα-helixtrans-75.4-35.917770.40000112.2D411 F412 F417 N418D411-S414 PolarHBondContact N-OG 3.5Å; D411-S414 WeakPolarHBondContact O-CA 3.19Å; D411-S414 WeakPolarHBondContact O-CB 3.12Å; D411-S414 PolarHBondContact O-N 2.69Å; D411-S414 PolarHBondContact O-OG 3.04Å; F412-S414 VanDerWaalsContact C-N 3.32Å; F412-S414 PolarHBondContact O-N 3.09Å; S414-F417 PolarHBondContact O-N 3.36Å; S414-N418 PolarHBondContact O-N 2.9Å
415D87.2Confident72Confident85 Ų85116.8 Ų116.846%0.45565%0.651SS.*Hα-helixtrans-68-39.8172.7-169.441000111.3D411 F412 F417 N418 K419D411-D415 PolarHBondContact O-N 2.94Å; F412-D415 PolarHBondContact O-N 2.92Å; D415-F417 PolarHBondContact O-N 2.97Å; D415-N418 PolarHBondContact O-N 3.25Å; D415-K419 WeakPolarHBondContact O-CB 3.41Å; D415-K419 PolarHBondContact O-N 3.05Å
416L88.4Confident73.5Confident107 Ų107114.9 Ų114.956%0.5664%0.642SS**Hα-helixtrans-59.9-44.7173.5-171.276.7000111.7F412 K419 L420F412-L416 WeakPolarHBondContact O-CB 3.27Å; F412-L416 PolarHBondContact O-N 3.09Å; L416-K419 PolarHBondContact O-N 3.4Å; L416-L420 WeakPolarHBondContact O-CB 2.94Å; L416-L420 PolarHBondContact O-N 3.39Å
417F86.5Confident74.9Confident149 Ų149116.6 Ų116.665%0.65464%0.637SS**Hα-helixtrans-64.9-42.4178.5-165.3-88.6000111.9M413 S414 D415 L420 A421M413-F417 PolarHBondContact O-N 3.41Å; M413-F417 VanDerWaalsContact O-N 3.1Å; S414-F417 PolarHBondContact O-N 3.36Å; D415-F417 PolarHBondContact O-N 2.97Å; F417-L420 PolarHBondContact O-N 3.42Å; F417-A421 WeakPolarHBondContact O-CB 3.23Å; F417-A421 PolarHBondContact O-N 3.5Å
418N86.4Confident75.6Confident110 Ų110114.8 Ų114.859%0.58862%0.624SS**Hα-helixtrans-64.1-43.1175.5-96.5-7.6000112.3S414 D415 A421 M422S414-N418 PolarHBondContact O-N 2.9Å; D415-N418 PolarHBondContact O-N 3.25Å; N418-A421 PolarHBondContact O-N 3.04Å; N418-M422 WeakPolarHBondContact O-CG 3.42Å; N418-M422 PolarHBondContact O-N 2.81Å
419K84.7Confident76.1Confident145 Ų145112.9 Ų112.963%0.6362%0.624SS**Hα-helixtrans-62.1-42.7174-98.8-177.4-179.8-130.70112.3D415 L416 A421 M422 R423D415-K419 WeakPolarHBondContact O-CB 3.41Å; D415-K419 PolarHBondContact O-N 3.05Å; L416-K419 PolarHBondContact O-N 3.4Å; K419-A421 VanDerWaalsContact C-N 3.34Å; K419-M422 PolarHBondContact O-N 2.9Å; K419-R423 WeakPolarHBondContact O-CB 3.45Å; K419-R423 PolarHBondContact O-N 2.79Å
420L84.7Confident76.2Confident83 Ų83118 Ų11844%0.43562%0.622SS.*Hα-helixtrans-64.9-39.4177.7-164.579.5000111.4L416 F417 R423 R424L416-L420 WeakPolarHBondContact O-CB 2.94Å; L416-L420 PolarHBondContact O-N 3.39Å; F417-L420 PolarHBondContact O-N 3.42Å; L420-R423 PolarHBondContact O-N 2.98Å; L420-R424 WeakPolarHBondContact O-CB 3.16Å; L420-R424 WeakPolarHBondContact O-CG 3.44Å; L420-R424 PolarHBondContact O-N 2.97Å
421A80.3Confident75.2Confident45 Ų45118.6 Ų118.637%0.37263%0.628SS.*Hα-helixtrans-65.6-42.9175.800000112.1F417 N418 K419 R423 R424 K425F417-A421 WeakPolarHBondContact O-CB 3.23Å; F417-A421 PolarHBondContact O-N 3.5Å; N418-A421 PolarHBondContact O-N 3.04Å; K419-A421 VanDerWaalsContact C-N 3.34Å; A421-R423 VanDerWaalsContact C-N 3.34Å; A421-R423 PolarHBondContact O-N 2.95Å; A421-R424 PolarHBondContact O-N 3.46Å; A421-K425 WeakPolarHBondContact O-CB 3.45Å; A421-K425 PolarHBondContact O-N 3.49Å
422M78.6Confident73.6Confident141 Ų141119.1 Ų119.170%0.69564%0.638SS**Hα-helixtrans-62.4-40.5174.2-74.8-65.8-151.900111.9N418 K419 K425 G426N418-M422 WeakPolarHBondContact O-CG 3.42Å; N418-M422 PolarHBondContact O-N 2.81Å; K419-M422 PolarHBondContact O-N 2.9Å; M422-K425 PolarHBondContact O-N 3.42Å; M422-G426 PolarHBondContact O-N 2.92Å
423R79.9Confident71.4Confident187 Ų187117 Ų11771%0.70665%0.649SS**Hα-helixtrans-64.9-44.5175.2-168.8179.3-175.6-172.91.5111.8K419 L420 A421 K425 G426 I427K419-R423 WeakPolarHBondContact O-CB 3.45Å; K419-R423 PolarHBondContact O-N 2.79Å; L420-R423 PolarHBondContact O-N 2.98Å; A421-R423 VanDerWaalsContact C-N 3.34Å; A421-R423 PolarHBondContact O-N 2.95Å; R423-K425 PolarHBondContact O-N 3.45Å; R423-G426 PolarHBondContact O-N 2.74Å; R423-G426 VanDerWaalsContact O-N 3.17Å; R423-I427 WeakPolarHBondContact O-CG1 3.42Å; R423-I427 WeakPolarHBondContact O-CG2 3.17Å; R423-I427 PolarHBondContact O-N 3.09Å
424R79.8Confident69.2Low171 Ų171113.4 Ų113.465%0.64565%0.65SS**Hα-helixtrans-60.4-33.9174.6-78.6-179.6176-173.3-0.9112.5L420 A421 I427 S428L420-R424 WeakPolarHBondContact O-CB 3.16Å; L420-R424 WeakPolarHBondContact O-CG 3.44Å; L420-R424 PolarHBondContact O-N 2.97Å; A421-R424 PolarHBondContact O-N 3.46Å; R424-I427 WeakPolarHBondContact O-CG1 3.28Å; R424-S428 PolarHBondContact O-N 3.32Å
425K80.3Confident67Low168 Ų168114.2 Ų114.273%0.7367%0.667SS**Hα-helixtrans-75.4-34.6175.6-160.9164.3-178.4179.70112.5A421 M422 R423A421-K425 WeakPolarHBondContact O-CB 3.45Å; A421-K425 PolarHBondContact O-N 3.49Å; M422-K425 PolarHBondContact O-N 3.42Å; R423-K425 PolarHBondContact O-N 3.45Å
426G73.9Confident64.4Low64 Ų64118.9 Ų118.966%0.6669%0.686SS**Hα-helixtrans-73.3-30.7176.300000114.6M422 R423M422-G426 PolarHBondContact O-N 2.92Å; R423-G426 PolarHBondContact O-N 2.74Å; R423-G426 VanDerWaalsContact O-N 3.17Å
427I64.8Low61.9Low129 Ų129119.5 Ų119.566%0.66270%0.699SS**Hα-helixtrans-82.9-15.3175.665.2-175.4000113.1R423 R424 G429R423-I427 WeakPolarHBondContact O-CG1 3.42Å; R423-I427 WeakPolarHBondContact O-CG2 3.17Å; R423-I427 PolarHBondContact O-N 3.09Å; R424-I427 WeakPolarHBondContact O-CG1 3.28Å; I427-G429 VanDerWaalsContact C-N 3.34Å; I427-G429 PolarHBondContact O-N 3.16Å; I427-G429 VanDerWaalsContact O-N 3.12Å
428S62Low59.3Low82 Ų82116.9 Ų116.957%0.57371%0.706SS**SBendtrans-8484.2172.5-165.90000107.9R424 K430R424-S428 PolarHBondContact O-N 3.32Å; S428-K430 PolarHBondContact O-N 2.97Å
429G53.7Low56.7Low80 Ų80120.1 Ų120.183%0.82572%0.717SS**  trans-63.167.4-177.600000114.3I427I427-G429 VanDerWaalsContact C-N 3.34Å; I427-G429 PolarHBondContact O-N 3.16Å; I427-G429 VanDerWaalsContact O-N 3.12Å
430K52Low54.5Low194 Ų194120.4 Ų120.484%0.84373%0.726SS**  trans-12375.7171.5-156.687.6169.1-173.60108.3S428S428-K430 PolarHBondContact O-N 2.97Å
431G42Very low52.6Low65 Ų65122.3 Ų122.367%0.6774%0.743SS**PPolyproline II helixtrans-74157.3166.600000111.6
432P42Very low50.7Low135 Ų135125.2 Ų125.288%0.87777%0.767SS**PPolyproline II helixtrans-78.3153.9-174.733.3-33.5000112.6
433A37Very low48.9Very low112 Ų112121.9 Ų121.993%0.92677%0.768SS**PPolyproline II helixtrans-75.7152.5-170.800000115.4
434G30.8Very low47.2Very low74 Ų74118.6 Ų118.676%0.76378%0.775SS**  trans167.489.1162.100000108.6
435G32.1Very low45.9Very low72 Ų72112.9 Ų112.974%0.74277%0.768SS**  87.2125.9105.600000109.4
436E33.6Very low44.9Very low184 Ų184107 Ų10786%0.8676%0.756SS**  cis-174.7145.226.845.4-163.8113.400110.6
437S34.7Very low44.2Very low119 Ų119107.5 Ų107.583%0.83275%0.754SS**  trans55.9115.5153.9-64.90000124.1
438A33.1Very low43.8Very low95 Ų95108.9 Ų108.979%0.78576%0.755SS**  -174.9129.298.200000113.3
439E31.3Very low43.6Very low178 Ų178107.8 Ų107.883%0.83275%0.751SS**  trans47.9105152.3-79.3175.3129.700124.4
440N37.9Very low44.2Very low151 Ų151112.7 Ų112.781%0.80775%0.745SS**  46.4158.9125.5-73.1-12.9000123.8
441P45.3Very low44.5Very low122 Ų122108.2 Ų108.279%0.79273%0.728SS**  cis-131.6-176.7-24.633.7-12.5000114.4
442A38.9Very low45.5Very low106 Ų106108.3 Ų108.388%0.87672%0.718SS**  trans-62.7151.2-165.500000118.2
443G42.3Very low46.5Very low71 Ų71109 Ų10973%0.73271%0.714SS**  trans152.717.1159.200000118.7G445G443-G445 PolarHBondContact O-N 3.11Å
444S44.6Very low48Very low119 Ų119109.1 Ų109.183%0.83270%0.704SS**  trans-93.584.3179.1-167.20000112.1G446S444-G446 PolarHBondContact O-N 3.34Å
445G52.7Low49.3Very low50 Ų50111.7 Ų111.752%0.51570%0.699SS.*  trans-66.7110.2154.400000108G443G443-G445 PolarHBondContact O-N 3.11Å
446G59.3Low50.7Low45 Ų45113.3 Ų113.346%0.46470%0.696SS.*  trans-55.4142.8-170.900000113.5S444 F448 A449S444-G446 PolarHBondContact O-N 3.34Å; G446-F448 PolarHBondContact O-N 3.14Å; G446-A449 PolarHBondContact O-N 3.08Å
447A57.5Low52.3Low75 Ų75110.4 Ų110.462%0.6269%0.693SS**Hα-helixtrans-45.8-33-174.900000114.2A449 R450 M451A447-A449 VanDerWaalsContact C-N 3.32Å; A447-A449 PolarHBondContact O-N 3.23Å; A447-R450 PolarHBondContact O-N 2.88Å; A447-R450 VanDerWaalsContact O-N 3.11Å; A447-M451 WeakPolarHBondContact O-CG 3.43Å; A447-M451 PolarHBondContact O-N 3.27Å
448F57.3Low53.4Low158 Ų158110.4 Ų110.469%0.69369%0.69SS**Hα-helixtrans-60.7-34.3179.7-158.2-95.7000114.2G446 R450 M451 S452G446-F448 PolarHBondContact O-N 3.14Å; F448-R450 VanDerWaalsContact C-N 3.32Å; F448-M451 HydrophobicContact CD2-CE 3.38Å; F448-M451 HydrophobicContact CD2-SD 4.2Å; F448-M451 HydrophobicContact CE2-CE 3.54Å; F448-M451 HydrophobicContact CG-CE 4.19Å; F448-M451 HydrophobicContact CZ-CE 4.45Å; F448-M451 PolarHBondContact O-N 3.23Å; F448-S452 PolarHBondContact O-N 3.19Å
449A57.3Low54.6Low58 Ų58111.8 Ų111.848%0.47969%0.691SS.*Hα-helixtrans-74.3-23.8178.400000112.6G446 A447 S452G446-A449 PolarHBondContact O-N 3.08Å; A447-A449 VanDerWaalsContact C-N 3.32Å; A447-A449 PolarHBondContact O-N 3.23Å; A449-S452 PolarHBondContact O-OG 2.99Å
450R65.5Low55.6Low184 Ų184107.1 Ų107.169%0.69468%0.683SS**Hα-helixtrans-82.6-25.3176.9-60.6-168.6-176.5-163.70.4112.6A447 F448A447-R450 PolarHBondContact O-N 2.88Å; A447-R450 VanDerWaalsContact O-N 3.11Å; F448-R450 VanDerWaalsContact C-N 3.32Å
451M58.8Low56.1Low99 Ų99106.1 Ų106.149%0.48868%0.684SS.*Hα-helixtrans-79.9-26.7174.43.5178.1-55.600111.9A447 F448A447-M451 WeakPolarHBondContact O-CG 3.43Å; A447-M451 PolarHBondContact O-N 3.27Å; F448-M451 HydrophobicContact CD2-CE 3.38Å; F448-M451 HydrophobicContact CD2-SD 4.2Å; F448-M451 HydrophobicContact CE2-CE 3.54Å; F448-M451 HydrophobicContact CG-CE 4.19Å; F448-M451 HydrophobicContact CZ-CE 4.45Å; F448-M451 PolarHBondContact O-N 3.23Å
452S62.8Low55.9Low67 Ų67109.2 Ų109.247%0.46969%0.688SS.*Hα-helixtrans-73.3-24.8178.255.60000114.1F448 A449 V454F448-S452 PolarHBondContact O-N 3.19Å; A449-S452 PolarHBondContact O-OG 2.99Å; S452-V454 VanDerWaalsContact C-N 3.3Å; S452-V454 PolarHBondContact O-N 3.38Å
453D62.9Low55.8Low149 Ų149109.9 Ų109.980%0.79769%0.686SS**THydrogen-bonded Turntrans-81.1-6.5177.9-80.9-10.8000113.6
454V68.3Low55.6Low116 Ų116111.6 Ų111.670%0.70369%0.694SS**THydrogen-bonded Turntrans-104.7-5.4-177.5-173.40000112.3S452 P456S452-V454 VanDerWaalsContact C-N 3.3Å; S452-V454 PolarHBondContact O-N 3.38Å; V454-P456 WeakPolarHBondContact O-CD 3.46Å
455I58.9Low55.2Low128 Ų128110.6 Ų110.666%0.65669%0.693SS**SBendtrans-97.2114-179.5-59.7171.5000109.3
456P61.5Low54.5Low106 Ų106114.8 Ų114.869%0.68870%0.703SS**PPolyproline II helixtrans-71144.6177.627.7-30.9000111V454V454-P456 WeakPolarHBondContact O-CD 3.46Å
457P66.7Low53.6Low123 Ų123119.5 Ų119.580%0.79972%0.718SS**PPolyproline II helixtrans-68.2141.8-17927-33.2000111.7
458P57.6Low53Low118 Ų118123.7 Ų123.777%0.76673%0.73SS**PPolyproline II helixtrans-74.3150.1-177.428.8-34.1000113
459P58.4Low52.7Low125 Ų125122.4 Ų122.481%0.81273%0.73SS**PPolyproline II helixtrans-71.9154.4178.129.4-33.6000112.7
460A53.2Low52.2Low80 Ų80132 Ų13266%0.66175%0.754SS**PPolyproline II helixtrans-67.8148.1-17900000112.5
461P49Very low50.9Low129 Ų129132.5 Ų132.584%0.83876%0.764SS**PPolyproline II helixtrans-77.1133.8-172.929.7-33.1000112.6
462H39.6Very low50.3Low188 Ų188136.2 Ų136.287%0.8781%0.811SS**PPolyproline II helixtrans-98.2145165-66.1-63.8000110.5
463S38.1Very low49.7Very low119 Ų119139.7 Ų139.783%0.83283%0.828SS**PPolyproline II helixtrans-65.2146-170.743.10000115.4
464A37.5Very low49Very low108 Ų108139.2 Ų139.289%0.89383%0.83SS**PPolyproline II helixtrans-73.6132.3173.400000113.3
465A35.6Very low47.9Very low98 Ų98140.5 Ų140.581%0.8184%0.837SS**  trans-141.3149.1154.300000103.6
466D38.3Very low47.2Very low138 Ų138141.2 Ų141.274%0.73885%0.848SS**  cis-166-170.9-10.6-168.30.7000102.7
467D41.1Very low46.3Very low143 Ų143143.4 Ų143.477%0.76586%0.857SS**  trans108.881.7159.8-50-29.7000116.6
468D45.4Very low45Very low163 Ų163144.8 Ų144.887%0.87286%0.861SS**  trans-51.3120.5137-78.8-58000111.3
469D49.3Very low44.1Very low132 Ų132146.7 Ų146.771%0.70687%0.868SS**  trans-165.4101.1156.5-161.114.1000111.8
470W47.1Very low43Very low259 Ų259148.4 Ų148.498%0.98187%0.873SS**  trans-158.679.9155.4-76113.6000110.7
471E39.9Very low42.1Very low194 Ų194154.1 Ų154.191%0.90789%0.89SS**  trans-125.7110.8152.6-109.3-172.3-175.500108.8
472A44.7Very low41.5Very low178 Ų178156.4 Ų156.4100%1.47190%0.895SS**  trans-1550157.600000110.1

Retrieved 472 of 472 residues in 261.1 ms (Link to these results)