A0A096MGI4_POEFO Loading...

Kinesin-like protein

AlphaFold DB , UniProt , Accession A0A096MGI4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 861 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M32.6Very low34.3Very low225 Ų225122 Ų122100%1.10871%0.71SS**  0140.20-63.3179.4-176.500107.4Q3M1-Q3 PolarHBondContact O-N 2.68Å
2A31.2Very low34.8Very low73 Ų73120.5 Ų120.560%0.60371%0.711SS**  trans-75.9114.1178.200000110.3
3Q28.4Very low36.4Very low168 Ų168125.4 Ų125.479%0.78572%0.718SS**  trans-86.1133172-131.2170.6-2.200108.6M1M1-Q3 PolarHBondContact O-N 2.68Å
4R40.4Very low39.1Very low135 Ų135128.6 Ų128.651%0.50972%0.72SS.*  trans-93.5112.1-179-174.2179.6-174.8179.60.2109.4T6R4-T6 PolarHBondContact O-N 3.1Å; R4-T6 VanDerWaalsContact O-N 3.08Å
5L35.7Very low42.2Very low114 Ų114126.1 Ų126.160%0.59771%0.709SS**  trans-67104.5163.9-69.2173.3000108.3V7 V352L5-V7 VanDerWaalsContact C-N 3.27Å; L5-V7 PolarHBondContact O-N 3.48Å; L5-V7 VanDerWaalsContact O-N 3.09Å; L5-V352 HydrophobicContact CD1-CG2 4.13Å; L5-V352 HydrophobicContact CG-CG2 4.42Å
6T33.2Very low45.2Very low116 Ų116120.5 Ų120.571%0.71268%0.681SS**  trans-78.982.4166.749.20000108.4R4 S8R4-T6 PolarHBondContact O-N 3.1Å; R4-T6 VanDerWaalsContact O-N 3.08Å; T6-S8 PolarHBondContact O-N 3.17Å; T6-S8 VanDerWaalsContact O-N 3.09Å
7V34.6Very low48.1Very low86 Ų86124.2 Ų124.252%0.52168%0.681SS.*  trans-59.6114.6169.8-170.10000107.5L5 D9L5-V7 VanDerWaalsContact C-N 3.27Å; L5-V7 PolarHBondContact O-N 3.48Å; L5-V7 VanDerWaalsContact O-N 3.09Å; V7-D9 WeakPolarHBondContact CG1-OD1 3.48Å; V7-D9 WeakPolarHBondContact CG1-OD2 3.35Å; V7-D9 PolarHBondContact O-N 2.74Å; V7-D9 VanDerWaalsContact O-N 3.1Å
8S33.2Very low50.8Low118 Ų118117.3 Ų117.383%0.82564%0.644SS**  trans-86.848.1-175.8590000111.5T6 G10T6-S8 PolarHBondContact O-N 3.17Å; T6-S8 VanDerWaalsContact O-N 3.09Å; S8-G10 PolarHBondContact O-N 3.05Å
9D34.9Very low53.2Low119 Ų119114.9 Ų114.964%0.63662%0.624SS**  trans-65.5128.8176.8-70.4-29.7000109.9V7 V11V7-D9 WeakPolarHBondContact CG1-OD1 3.48Å; V7-D9 WeakPolarHBondContact CG1-OD2 3.35Å; V7-D9 PolarHBondContact O-N 2.74Å; V7-D9 VanDerWaalsContact O-N 3.1Å; D9-V11 HydrophobicContact CB-CG2 4.04Å; D9-V11 PolarHBondContact O-N 3.44Å
10G32.9Very low55.5Low88 Ų88109.2 Ų109.291%0.90759%0.593SS**  trans-68.522.2176.900000114.7S8 S12S8-G10 PolarHBondContact O-N 3.05Å; G10-S12 PolarHBondContact O-N 3.21Å
11V40.6Very low57.5Low100 Ų100104 Ų10461%0.60657%0.565SS**  trans-66.3120.2-178.9172.50000109.6D9 K13D9-V11 HydrophobicContact CB-CG2 4.04Å; D9-V11 PolarHBondContact O-N 3.44Å; V11-K13 PolarHBondContact O-N 2.62Å
12S40.3Very low60.6Low104 Ų10493.3 Ų93.373%0.72751%0.512SS*.  trans-45.9123.8171179.70000110.4G10 K14G10-S12 PolarHBondContact O-N 3.21Å; S12-K14 VanDerWaalsContact C-N 3.35Å; S12-K14 PolarHBondContact O-N 3.24Å
13K55.3Low63.8Low184 Ų18490.5 Ų90.580%0.849%0.486SS*.  trans-65.291.2-173.9-72.9174.2-179.6164.90109.9V11 T15V11-K13 PolarHBondContact O-N 2.62Å; K13-T15 PolarHBondContact O-N 2.89Å
14K73.8Confident67.1Low170 Ų17082.7 Ų82.774%0.73945%0.45SS*.  trans-52.7101.9-176.7-67.8-172177.9-177.50110.7S12S12-K14 VanDerWaalsContact C-N 3.35Å; S12-K14 PolarHBondContact O-N 3.24Å
15T85.9Confident69.7Low92 Ų9277.3 Ų77.356%0.56443%0.429SS*.  trans-78.6141171.646.80000110K13 V343 N344 K345K13-T15 PolarHBondContact O-N 2.89Å; T15-V343 HydrophobicContact CG2-CG1 3.73Å; T15-N344 WeakPolarHBondContact CA-O 3.37Å; T15-K345 HydrophobicContact CG2-CG 4.11Å
16S90.6Very high72.4Confident36 Ų3675.2 Ų75.225%0.25242%0.422SS..EExtended strand (participates in β ladder)trans-127.3131.4174.3-170.60000108.7N344S16-N344 PolarHBondContact N-O 3.12Å; S16-N344 WeakPolarHBondContact O-CA 3.42Å; S16-N344 PolarHBondContact O-N 2.98Å
17R94.1Very high75.1Confident183 Ų18372.9 Ų72.969%0.69140%0.401SS*.EExtended strand (participates in β ladder)trans-75.5151.2173.3-73-178.1-178.5167.71.3109.7R19 I342 V343R17-R19 PolarHBondContact O-N 2.97Å; R17-I342 CarbonylContact C-O 3.58Å; R17-I342 WeakPolarHBondContact CA-O 3.43Å; R17-V343 HydrophobicContact CG-CG2 4.27Å
18V96.2Very high77.4Confident0 Ų073.8 Ų73.80%040%0.401CS..  trans-66.6113.8167.4176.90000107.5F98 L307 M315 I342V18-F98 HydrophobicContact CG1-CZ 4.34Å; V18-L307 HydrophobicContact CG2-CD2 4.21Å; V18-M315 HydrophobicContact CG1-CB 4.43Å; V18-I342 HydrophobicContact CB-CB 4.27Å; V18-I342 HydrophobicContact CG2-CB 3.71Å; V18-I342 HydrophobicContact CG2-CG2 3.67Å; V18-I342 PolarHBondContact N-O 3.39Å
19R97.3Very high79Confident72 Ų7272.8 Ų72.827%0.27239%0.394SS..EExtended strand (participates in β ladder)trans-76.6132.1179-171.3-179.6-179.4-157.3-0.4109R17 D65 S80 S313 V314 M315R17-R19 PolarHBondContact O-N 2.97Å; R19-D65 WeakPolarHBondContact CA-OD2 3.38Å; R19-D65 HydrophobicContact CG-CB 3.72Å; R19-S80 VanDerWaalsContact CZ-O 3.31Å; R19-S80 PolarHBondContact NH1-O 3.46Å; R19-S80 PolarHBondContact NH2-O 3.26Å; R19-S313 PolarHBondContact N-O 3.43Å; R19-V314 HydrophobicContact CB-CG2 4.32Å; R19-V314 CarbonylContact O-C 3.58Å; R19-V314 WeakPolarHBondContact O-CA 3.38Å; R19-M315 PolarHBondContact O-N 3.43Å
20V98.1Very high80.4Confident0 Ų074.7 Ų74.70%039%0.392CS..EExtended strand (participates in β ladder)trans-117.1112.8-177.8-178.90000109.9F64 D65 V66 M315 A336 K340V20-F64 HydrophobicContact CB-CD1 4.18Å; V20-F64 HydrophobicContact CG1-CD1 3.55Å; V20-F64 HydrophobicContact CG1-CE1 3.93Å; V20-D65 PolarHBondContact N-OD2 2.78Å; V20-D65 PolarHBondContact O-N 3.2Å; V20-V66 PolarHBondContact O-N 3.44Å; V20-M315 HydrophobicContact CG2-CB 4.22Å; V20-M315 HydrophobicContact CG2-SD 4.47Å; V20-A336 HydrophobicContact CG1-CB 3.85Å; V20-K340 HydrophobicContact CB-CB 4.21Å; V20-K340 HydrophobicContact CG2-CB 3.71Å
21A98.3Very high81.6Confident1 Ų180.2 Ų80.21%0.00839%0.394CS..EExtended strand (participates in β ladder)trans-96.8142.1164.700000109.5V66 M315 I316 T317A21-V66 CarbonylContact C-O 3.56Å; A21-V66 VanDerWaalsContact CA-O 3.31Å; A21-V66 WeakPolarHBondContact CA-O 3.25Å; A21-V66 HydrophobicContact CB-CB 4.13Å; A21-M315 PolarHBondContact N-O 2.96Å; A21-I316 WeakPolarHBondContact O-CA 3.49Å; A21-T317 PolarHBondContact O-N 3.04Å; A21-T317 PolarHBondContact O-OG1 2.92Å
22V98.5Very high82.3Confident0 Ų082.1 Ų82.10%040%0.401CS..EExtended strand (participates in β ladder)trans-109.9141.5168.2178.40000108.8L48 F64 V66 F67 H68 T317 I319 L333V22-L48 HydrophobicContact CB-CD2 4.1Å; V22-L48 HydrophobicContact CG1-CD2 3.75Å; V22-L48 HydrophobicContact CG2-CD2 4.36Å; V22-F64 HydrophobicContact CB-CD2 4.24Å; V22-F64 HydrophobicContact CG2-CB 4.18Å; V22-F64 HydrophobicContact CG2-CD1 3.81Å; V22-F64 HydrophobicContact CG2-CD2 3.33Å; V22-F64 HydrophobicContact CG2-CE1 3.97Å; V22-F64 HydrophobicContact CG2-CE2 3.49Å; V22-F64 VanDerWaalsContact CG2-CE2 3.49Å; V22-F64 HydrophobicContact CG2-CG 3.48Å; V22-F64 VanDerWaalsContact CG2-CG 3.48Å; V22-F64 HydrophobicContact CG2-CZ 3.82Å; V22-V66 PolarHBondContact N-O 2.93Å; V22-F67 HydrophobicContact CB-CD2 4.2Å; V22-F67 HydrophobicContact CG1-CD2 4.17Å; V22-F67 HydrophobicContact CG1-CE2 4.4Å; V22-H68 WeakPolarHBondContact O-CB 3.33Å; V22-H68 PolarHBondContact O-N 2.7Å; V22-T317 CarbonylContact C-O 3.56Å; V22-T317 WeakPolarHBondContact CA-O 3.48Å; V22-I319 HydrophobicContact CG1-CD1 3.54Å; V22-I319 HydrophobicContact CG1-CG1 3.82Å; V22-I319 HydrophobicContact CG1-CG2 4.39Å; V22-L333 HydrophobicContact CG1-CD2 4.15Å; V22-L333 HydrophobicContact CG2-CD2 4.38Å
23R98.1Very high83.1Confident15 Ų1580.5 Ų80.56%0.05738%0.382CS..EExtended strand (participates in β ladder)trans-129114.3175.7-173.3179.8-166.8-173.211.7111.5H68 T72 Q74 T110 I316 T317 N318 I319R23-H68 WeakPolarHBondContact CA-O 3.45Å; R23-H68 HydrophobicContact CB-CB 4.04Å; R23-H68 HydrophobicContact CG-CB 3.88Å; R23-T72 PolarHBondContact NH2-O 3.33Å; R23-Q74 VanDerWaalsContact CZ-OE1 3.31Å; R23-T110 PolarHBondContact NH1-OG1 2.79Å; R23-I316 HydrophobicContact CB-CG2 4.4Å; R23-T317 PolarHBondContact N-O 3.31Å; R23-N318 WeakPolarHBondContact O-CA 3.19Å; R23-I319 WeakPolarHBondContact O-CG1 3.38Å; R23-I319 PolarHBondContact O-N 3.48Å
24L97.4Very high83.1Confident4 Ų479.8 Ų79.82%0.02138%0.379CS..EExtended strand (participates in β ladder)trans-81.8126.3167.7-167.961.7000108.8V40 F67 H68 E70 I319 P321L24-V40 HydrophobicContact CD1-CB 4.18Å; L24-V40 HydrophobicContact CD1-CG1 4.07Å; L24-V40 HydrophobicContact CD2-CG1 4.17Å; L24-F67 HydrophobicContact CB-CE2 4.01Å; L24-F67 HydrophobicContact CB-CZ 3.9Å; L24-F67 HydrophobicContact CD2-CZ 4.1Å; L24-H68 PolarHBondContact N-O 2.66Å; L24-E70 HydrophobicContact CB-CG 4.47Å; L24-E70 HydrophobicContact CD2-CG 3.77Å; L24-E70 HydrophobicContact CG-CG 3.84Å; L24-I319 HydrophobicContact CB-CD1 4.44Å; L24-I319 HydrophobicContact CB-CG1 4.26Å; L24-I319 HydrophobicContact CD1-CD1 3.86Å; L24-I319 HydrophobicContact CD1-CG1 3.77Å; L24-P321 HydrophobicContact CD1-CB 3.95Å; L24-P321 HydrophobicContact CD1-CG 4.36Å
25R94.9Very high82.6Confident22 Ų2280.2 Ų80.28%0.08339%0.389CS..PPolyproline II helixtrans-85.2156.2168.765.6146.1179.173.15.7110.7G104 I319 P321 E322R25-G104 PolarHBondContact NE-O 3.02Å; R25-I319 PolarHBondContact N-O 3.06Å; R25-P321 WeakPolarHBondContact O-CD 3.32Å; R25-E322 IonicContact CZ-OE1 2.93Å; R25-E322 IonicContact CZ-OE2 3.48Å; R25-E322 IonicContact NH1-OE1 2.73Å; R25-E322 PolarHBondContact NH1-OE1 2.73Å; R25-E322 IonicContact NH1-OE2 2.88Å; R25-E322 PolarHBondContact NH1-OE2 3.49Å; R25-E322 VanDerWaalsContact NH2-CD 3.32Å; R25-E322 IonicContact NH2-OE1 2.61Å; R25-E322 PolarHBondContact NH2-OE1 3.13Å; R25-E322 VanDerWaalsContact NH2-OE1 3.11Å; R25-E322 IonicContact NH2-OE2 2.71Å; R25-E322 PolarHBondContact NH2-OE2 3.43Å
26P92.3Very high81.8Confident69 Ų6981.6 Ų81.645%0.44839%0.389SS..PPolyproline II helixtrans-48.4143.7173.8-30.335.5000114.3M28 E70P26-M28 PolarHBondContact O-N 2.85Å; P26-E70 VanDerWaalsContact CA-OE2 3.28Å; P26-E70 WeakPolarHBondContact CA-OE2 3.28Å; P26-E70 HydrophobicContact CG-CB 4.47Å; P26-E70 WeakPolarHBondContact CG-O 3.28Å
27Y89.3Confident81.3Confident68 Ų6880.8 Ų80.827%0.26739%0.386SS..PPolyproline II helixtrans-61.2126.2172.9-169.8-96.9000111.8G37 P38 E70 P321 E322Y27-G37 VanDerWaalsContact CE2-C 3.46Å; Y27-G37 VanDerWaalsContact CE2-O 3.31Å; Y27-G37 WeakPolarHBondContact CE2-O 3.39Å; Y27-G37 PolarHBondContact OH-O 3.34Å; Y27-P38 HydrophobicContact CD2-CB 3.89Å; Y27-P38 HydrophobicContact CE2-CB 4.16Å; Y27-E70 PolarHBondContact N-OE2 3.4Å; Y27-P321 HydrophobicContact CD2-CB 3.99Å; Y27-P321 HydrophobicContact CD2-CG 3.79Å; Y27-P321 HydrophobicContact CG-CG 4.38Å; Y27-E322 HydrophobicContact CD2-CG 4.07Å; Y27-E322 HydrophobicContact CE2-CB 4.39Å; Y27-E322 HydrophobicContact CE2-CG 3.81Å
28M83.9Confident81.1Confident105 Ų10574.2 Ų74.252%0.51737%0.367SS..  trans-107.979.1-179.9-66.8175.9174.700110.1P26 E322P26-M28 PolarHBondContact O-N 2.85Å; M28-E322 WeakPolarHBondContact CB-OE1 3.16Å; M28-E322 PolarHBondContact N-OE1 3.13Å
29S66.4Low80.9Confident96 Ų9674.2 Ų74.267%0.67137%0.368SS*.  trans-57.8132.7175.750.80000111.5
30R64.8Low80.8Confident160 Ų16070.9 Ų70.960%0.60436%0.355SS*.  trans-109.2140.9165.5-71.4-177.8167178.4-5109.1D32 E33R30-D32 PolarHBondContact O-N 3.28Å; R30-D32 VanDerWaalsContact O-N 3.12Å; R30-E33 HydrophobicContact CB-CB 4.46Å; R30-E33 HydrophobicContact CB-CG 4.13Å; R30-E33 PolarHBondContact O-N 3Å
31Q56.9Low80.5Confident204 Ų20477.5 Ų77.595%0.95338%0.38SS*.THydrogen-bonded Turntrans-63.1-16.3178.6-67.9171.8-32.700113.6
32D56.3Low80.3Confident139 Ų13979.4 Ų79.474%0.74340%0.4SS*.THydrogen-bonded Turntrans-92.8-5.8175.1-54.8-70000113.8R30R30-D32 PolarHBondContact O-N 3.28Å; R30-D32 VanDerWaalsContact O-N 3.12Å
33E57.4Low80Confident71 Ų7183.3 Ų83.333%0.33242%0.421SS..SBendtrans-94.7135.3178.4-71.4176148.600110.1R30 R324R30-E33 HydrophobicContact CB-CB 4.46Å; R30-E33 HydrophobicContact CB-CG 4.13Å; R30-E33 PolarHBondContact O-N 3Å; E33-R324 IonicContact OE1-CZ 3.44Å; E33-R324 IonicContact OE1-NH1 3.37Å; E33-R324 PolarHBondContact OE1-NH1 3.46Å; E33-R324 IonicContact OE2-CZ 2.71Å; E33-R324 IonicContact OE2-NH1 3.5Å; E33-R324 PolarHBondContact OE2-NH1 3.03Å
34K55.3Low79.8Confident168 Ų16886.2 Ų86.273%0.7344%0.437SS*.  trans-67164180-64.3-179.9179.3179.90111.4E36K34-E36 HydrophobicContact CB-CG 4.35Å; K34-E36 PolarHBondContact O-N 3.2Å
35D61.7Low79.7Confident179 Ų17989.9 Ų89.996%0.95746%0.464SS*.THydrogen-bonded Turntrans-64.136.5179.4-69.7-54.2000115.9G37D35-G37 VanDerWaalsContact C-N 3.32Å
36E70Confident79.7Confident121 Ų12192.8 Ų92.857%0.56548%0.478SS*.THydrogen-bonded Turntrans-72.9-25.6178.5-64.1175.2-170.400111.8K34 Y323K34-E36 HydrophobicContact CB-CG 4.35Å; K34-E36 PolarHBondContact O-N 3.2Å; E36-Y323 HydrophobicContact CB-CD2 3.89Å; E36-Y323 HydrophobicContact CB-CE2 4.07Å; E36-Y323 VanDerWaalsContact O-CE2 3.25Å; E36-Y323 WeakPolarHBondContact O-CE2 3.45Å
37G80.9Confident79.9Confident19 Ų1991.8 Ų91.820%0.19647%0.469CS..  trans72.4-164.217300000114.9Y27 D35 Y323Y27-G37 VanDerWaalsContact CE2-C 3.46Å; Y27-G37 VanDerWaalsContact CE2-O 3.31Å; Y27-G37 WeakPolarHBondContact CE2-O 3.39Å; Y27-G37 PolarHBondContact OH-O 3.34Å; D35-G37 VanDerWaalsContact C-N 3.32Å; G37-Y323 WeakPolarHBondContact O-CD2 3.46Å
38P90.1Very high80.3Confident45 Ų4588.5 Ų88.529%0.29246%0.456SS..BIsolated β-bridgetrans-80.1126.3178.830.6-33.4000112Y27 P321Y27-P38 HydrophobicContact CD2-CB 3.89Å; Y27-P38 HydrophobicContact CE2-CB 4.16Å; P38-P321 WeakPolarHBondContact CA-O 3.24Å; P38-P321 HydrophobicContact CB-CB 4.04Å
39C91.8Very high80.8Confident1 Ų184.8 Ų84.81%0.00744%0.437CS..SBendtrans-82.4-10.1177.8720000114.4I50 I51 P321 Y323 Y326C39-I50 WeakPolarHBondContact O-CA 3.26Å; C39-I50 WeakPolarHBondContact O-CG1 3.3Å; C39-I51 PolarHBondContact O-N 3.28Å; C39-P321 PolarHBondContact N-O 3.31Å; C39-P321 PolarHBondContact SG-O 2.9Å; C39-Y323 HydrophobicContact CB-CD1 4.04Å; C39-Y323 HydrophobicContact CB-CD2 3.77Å; C39-Y323 HydrophobicContact CB-CE1 3.96Å; C39-Y323 HydrophobicContact CB-CE2 3.64Å; C39-Y323 HydrophobicContact CB-CG 3.97Å; C39-Y326 HydrophobicContact CB-CD2 4.36Å
40V94.5Very high82.2Confident1 Ų180.3 Ų80.31%0.00641%0.406CS..EExtended strand (participates in β ladder)trans-117.6142.3175.5179.90000109.3L24 L48 E49 I50 I319 T329L24-V40 HydrophobicContact CD1-CB 4.18Å; L24-V40 HydrophobicContact CD1-CG1 4.07Å; L24-V40 HydrophobicContact CD2-CG1 4.17Å; V40-L48 HydrophobicContact CG1-CD1 4.25Å; V40-E49 CarbonylContact C-O 3.56Å; V40-E49 WeakPolarHBondContact CA-O 3.28Å; V40-I50 HydrophobicContact CG2-CB 4.23Å; V40-I50 HydrophobicContact CG2-CD1 4.06Å; V40-I50 HydrophobicContact CG2-CG1 3.85Å; V40-I319 HydrophobicContact CG1-CD1 4.03Å; V40-T329 HydrophobicContact CG2-CG2 3.78Å
41R91.9Very high83.5Confident139 Ų13973.7 Ų73.753%0.52538%0.382SS..EExtended strand (participates in β ladder)trans-134.4140.2174.2-61.8178.7-177.7176.3-1.2110.6L48 E49R41-L48 CarbonylContact O-C 3.55Å; R41-L48 WeakPolarHBondContact O-CA 3.2Å; R41-E49 HydrophobicContact CB-CG 4.12Å; R41-E49 PolarHBondContact N-O 2.9Å; R41-E49 PolarHBondContact O-N 2.96Å
42G93.8Very high85.1Confident42 Ų4265.2 Ų65.243%0.43334%0.343SS..EExtended strand (participates in β ladder)trans-76.7143.5166.800000110.5F67G42-F67 VanDerWaalsContact CA-CE1 3.43Å
43L93.3Very high86.5Confident81 Ų8165.6 Ų65.642%0.42434%0.335SS..  trans-107.3-44173.2-61176.7000110.8N47 E49 K61L43-N47 HydrophobicContact CB-CB 4.22Å; L43-N47 WeakPolarHBondContact CB-O 3.49Å; L43-N47 PolarHBondContact N-O 3.07Å; L43-E49 HydrophobicContact CD1-CB 4.26Å; L43-E49 HydrophobicContact CD1-CG 4.43Å; L43-E49 HydrophobicContact CD2-CG 4.09Å; L43-E49 HydrophobicContact CG-CG 4.32Å; L43-K61 HydrophobicContact CD1-CD 3.99Å
44D93.9Very high87.9Confident76 Ų7671.6 Ų71.641%0.40635%0.354SS..SBendtrans-156.3-165.8175.560.255.6000110.6Q46 N47 F67D44-Q46 PolarHBondContact O-N 2.74Å; D44-Q46 WeakPolarHBondContact OD1-CA 3.48Å; D44-Q46 PolarHBondContact OD1-N 3.29Å; D44-N47 PolarHBondContact N-O 3.33Å; D44-N47 WeakPolarHBondContact OD1-CB 3.5Å; D44-N47 PolarHBondContact OD1-N 2.94Å; D44-N47 PolarHBondContact OD1-ND2 3.18Å; D44-N47 WeakPolarHBondContact OD2-CB 3.3Å; D44-N47 PolarHBondContact OD2-ND2 2.83Å; D44-F67 WeakPolarHBondContact O-CD1 3.29Å
45S93.9Very high89.5Confident82 Ų8266.3 Ų66.357%0.57333%0.334SS*.SBendtrans-73.22.3-178.259.90000115.6V66 F67S45-V66 CarbonylContact O-C 3.59Å; S45-V66 WeakPolarHBondContact O-CA 3.2Å; S45-F67 PolarHBondContact O-N 2.93Å
46Q96.1Very high90.4Very high83 Ų8361.4 Ų61.439%0.38832%0.318SS..SBendtrans-136.9-26.7177.3-72.517462.400113D44 H63 F64D44-Q46 PolarHBondContact O-N 2.74Å; D44-Q46 WeakPolarHBondContact OD1-CA 3.48Å; D44-Q46 PolarHBondContact OD1-N 3.29Å; Q46-H63 PolarHBondContact OE1-CE1 3.44Å; Q46-F64 WeakPolarHBondContact CB-O 3.46Å; Q46-F64 PolarHBondContact O-N 2.66Å
47N96.1Very high91Very high47 Ų4761.6 Ų61.625%0.25133%0.328SS..EExtended strand (participates in β ladder)trans-111141-172.2-56.7-51.8000112.7L43 D44 Y62 H63L43-N47 HydrophobicContact CB-CB 4.22Å; L43-N47 WeakPolarHBondContact CB-O 3.49Å; L43-N47 PolarHBondContact N-O 3.07Å; D44-N47 PolarHBondContact N-O 3.33Å; D44-N47 WeakPolarHBondContact OD1-CB 3.5Å; D44-N47 PolarHBondContact OD1-N 2.94Å; D44-N47 PolarHBondContact OD1-ND2 3.18Å; D44-N47 WeakPolarHBondContact OD2-CB 3.3Å; D44-N47 PolarHBondContact OD2-ND2 2.83Å; N47-Y62 WeakPolarHBondContact CA-O 3.19Å; N47-H63 WeakPolarHBondContact OD1-CA 3.29Å; N47-H63 VanDerWaalsContact OD1-CB 3.31Å; N47-H63 WeakPolarHBondContact OD1-CB 3.01Å; N47-H63 PolarHBondContact OD1-ND1 3.43Å
48L96.8Very high91.5Very high0 Ų065.2 Ų65.20%034%0.34CS..EExtended strand (participates in β ladder)trans-140.4161.4175.869.893.8000110.4V22 V40 R41 K61 Y62 F64 F67 L333V22-L48 HydrophobicContact CB-CD2 4.1Å; V22-L48 HydrophobicContact CG1-CD2 3.75Å; V22-L48 HydrophobicContact CG2-CD2 4.36Å; V40-L48 HydrophobicContact CG1-CD1 4.25Å; R41-L48 CarbonylContact O-C 3.55Å; R41-L48 WeakPolarHBondContact O-CA 3.2Å; L48-K61 WeakPolarHBondContact O-CA 3.29Å; L48-Y62 HydrophobicContact CD1-CD2 4.17Å; L48-Y62 PolarHBondContact N-O 3.45Å; L48-Y62 VanDerWaalsContact N-O 3.07Å; L48-Y62 PolarHBondContact O-N 3.23Å; L48-F64 HydrophobicContact CD2-CD2 3.89Å; L48-F64 HydrophobicContact CD2-CE2 3.89Å; L48-F64 HydrophobicContact CG-CE2 4.5Å; L48-F67 HydrophobicContact CB-CD2 3.93Å; L48-F67 HydrophobicContact CB-CE2 3.91Å; L48-F67 HydrophobicContact CB-CG 4.38Å; L48-F67 HydrophobicContact CB-CZ 4.36Å; L48-F67 HydrophobicContact CD2-CD2 3.42Å; L48-F67 VanDerWaalsContact CD2-CD2 3.42Å; L48-F67 HydrophobicContact CD2-CE2 3.72Å; L48-F67 HydrophobicContact CD2-CG 4.38Å; L48-F67 HydrophobicContact CG-CD2 4.32Å; L48-F67 HydrophobicContact CG-CE2 4.44Å; L48-L333 HydrophobicContact CD1-CD1 3.97Å; L48-L333 HydrophobicContact CD1-CD2 3.9Å; L48-L333 HydrophobicContact CD2-CD2 3.9Å
49E95.4Very high91.6Very high27 Ų2765.8 Ų65.813%0.12634%0.342CS..EExtended strand (participates in β ladder)trans-129.2151.8171.368179.5-168.500112.6V40 R41 L43 T59 V60 K61V40-E49 CarbonylContact C-O 3.56Å; V40-E49 WeakPolarHBondContact CA-O 3.28Å; R41-E49 HydrophobicContact CB-CG 4.12Å; R41-E49 PolarHBondContact N-O 2.9Å; R41-E49 PolarHBondContact O-N 2.96Å; L43-E49 HydrophobicContact CD1-CB 4.26Å; L43-E49 HydrophobicContact CD1-CG 4.43Å; L43-E49 HydrophobicContact CD2-CG 4.09Å; L43-E49 HydrophobicContact CG-CG 4.32Å; E49-T59 HydrophobicContact CG-CG2 4.38Å; E49-T59 PolarHBondContact OE2-OG1 3.05Å; E49-V60 WeakPolarHBondContact CA-O 3.31Å; E49-K61 HydrophobicContact CB-CG 4.02Å; E49-K61 WeakPolarHBondContact OE2-CE 3.38Å; E49-K61 IonicContact OE2-NZ 2.76Å; E49-K61 PolarHBondContact OE2-NZ 2.83Å
50I95.4Very high91.7Very high1 Ų168 Ų681%0.00536%0.356CS..EExtended strand (participates in β ladder)trans-127.8139.5172.6-170.8179.1000108.7C39 V40 T59 V60 Y62 Y326 T329 F330 L333C39-I50 WeakPolarHBondContact O-CA 3.26Å; C39-I50 WeakPolarHBondContact O-CG1 3.3Å; V40-I50 HydrophobicContact CG2-CB 4.23Å; V40-I50 HydrophobicContact CG2-CD1 4.06Å; V40-I50 HydrophobicContact CG2-CG1 3.85Å; I50-T59 CarbonylContact O-C 3.43Å; I50-T59 WeakPolarHBondContact O-CA 3.31Å; I50-V60 HydrophobicContact CG2-CB 3.98Å; I50-V60 PolarHBondContact N-O 2.92Å; I50-V60 PolarHBondContact O-N 3.24Å; I50-Y62 HydrophobicContact CG2-CD2 4.37Å; I50-Y62 HydrophobicContact CG2-CE2 3.81Å; I50-Y326 HydrophobicContact CD1-CD2 3.91Å; I50-Y326 HydrophobicContact CD1-CE2 3.59Å; I50-Y326 HydrophobicContact CG1-CD2 4.24Å; I50-Y326 HydrophobicContact CG1-CE2 3.76Å; I50-T329 HydrophobicContact CD1-CG2 4.1Å; I50-F330 HydrophobicContact CD1-CB 4.15Å; I50-F330 HydrophobicContact CG2-CD2 4.3Å; I50-L333 HydrophobicContact CB-CD1 4.46Å; I50-L333 HydrophobicContact CD1-CD1 4.32Å; I50-L333 HydrophobicContact CG2-CD1 4.31Å
51I92.9Very high91.8Very high22 Ų2274.4 Ų74.411%0.11338%0.383CS..EExtended strand (participates in β ladder)trans-62.9144.1-179.1-66.3171.6000110.5C39 W53 A56 T59 Y323 Y326C39-I51 PolarHBondContact O-N 3.28Å; I51-W53 PolarHBondContact O-N 2.86Å; I51-A56 HydrophobicContact CG2-CB 4.08Å; I51-T59 HydrophobicContact CG1-CG2 4.47Å; I51-Y323 VanDerWaalsContact CD1-OH 3.24Å; I51-Y323 WeakPolarHBondContact CD1-OH 3.25Å; I51-Y326 WeakPolarHBondContact O-CE2 3.37Å; I51-Y326 PolarHBondContact O-OH 3.09Å
52N90.1Very high92.1Very high26 Ų2668.8 Ų68.814%0.13936%0.362CS..EExtended strand (participates in β ladder)trans-80.3115.9176.71792.8000111R54 N55 A56 E58 V60N52-R54 PolarHBondContact O-N 2.65Å; N52-R54 PolarHBondContact OD1-N 3.1Å; N52-N55 CarbonylContact O-C 3.6Å; N52-N55 PolarHBondContact O-N 3.37Å; N52-N55 VanDerWaalsContact O-O 3.04Å; N52-A56 PolarHBondContact O-N 3.33Å; N52-E58 HydrophobicContact CB-CB 3.84Å; N52-E58 PolarHBondContact N-O 2.91Å; N52-E58 PolarHBondContact ND2-OE2 3.47Å; N52-V60 HydrophobicContact CB-CG2 4.47Å
53W85.9Confident92.2Very high147 Ų14771.7 Ų71.756%0.55736%0.364SS*.THydrogen-bonded Turntrans-58-19.3178.275.8-82.7000115.6I51 Y326 F327I51-W53 PolarHBondContact O-N 2.86Å; W53-Y326 HydrophobicContact CB-CD1 4.25Å; W53-Y326 HydrophobicContact CB-CE1 3.61Å; W53-Y326 HydrophobicContact CB-CE2 4.47Å; W53-Y326 AromaticContact CD1-CE1 3.81Å; W53-Y326 AromaticContact CG-CE1 3.93Å; W53-Y326 HydrophobicContact CG-CE1 3.93Å; W53-Y326 PolarHBondContact N-OH 3.06Å; W53-F327 HydrophobicContact CD2-CE1 4.29Å; W53-F327 HydrophobicContact CD2-CZ 4.45Å; W53-F327 HydrophobicContact CG-CE1 4.32Å
54R87Confident92.5Very high197 Ų19767.8 Ų67.874%0.74334%0.344SS*.THydrogen-bonded Turntrans-85.7-28176.4-64.9-178.3173.7162.8-4113.4N52N52-R54 PolarHBondContact O-N 2.65Å; N52-R54 PolarHBondContact OD1-N 3.1Å
55N87Confident92.6Very high57 Ų5766.5 Ų66.531%0.30534%0.337SS..EExtended strand (participates in β ladder)trans-150.9102.7178.917610.7000108.4N52 T57 E58N52-N55 CarbonylContact O-C 3.6Å; N52-N55 PolarHBondContact O-N 3.37Å; N52-N55 VanDerWaalsContact O-O 3.04Å; N55-T57 PolarHBondContact ND2-OG1 3.48Å; N55-T57 PolarHBondContact O-N 2.85Å; N55-T57 PolarHBondContact OD1-N 3Å; N55-T57 VanDerWaalsContact OD1-N 3.13Å; N55-T57 PolarHBondContact OD1-OG1 2.91Å; N55-E58 HydrophobicContact CB-CG 4.42Å; N55-E58 PolarHBondContact ND2-OE1 3.25Å; N55-E58 PolarHBondContact O-N 3.49Å
56A80.7Confident92.8Very high75 Ų7563.4 Ų63.462%0.6232%0.315SS*.EExtended strand (participates in β ladder)trans-66.4-5.6-175.700000114.7I51 N52I51-A56 HydrophobicContact CG2-CB 4.08Å; N52-A56 PolarHBondContact O-N 3.33Å
57T84Confident92.9Very high126 Ų12660.2 Ų60.277%0.77330%0.299SS*.EExtended strand (participates in β ladder)trans-84.8-9.8171.564.20000113.5N55N55-T57 PolarHBondContact ND2-OG1 3.48Å; N55-T57 PolarHBondContact O-N 2.85Å; N55-T57 PolarHBondContact OD1-N 3Å; N55-T57 VanDerWaalsContact OD1-N 3.13Å; N55-T57 PolarHBondContact OD1-OG1 2.91Å
58E90Very high92.9Very high95 Ų9558.3 Ų58.344%0.44429%0.289SS..EExtended strand (participates in β ladder)trans-102.6151.3174.7-71.4163.4-144.500111.7N52 N55N52-E58 HydrophobicContact CB-CB 3.84Å; N52-E58 PolarHBondContact N-O 2.91Å; N52-E58 PolarHBondContact ND2-OE2 3.47Å; N55-E58 HydrophobicContact CB-CG 4.42Å; N55-E58 PolarHBondContact ND2-OE1 3.25Å; N55-E58 PolarHBondContact O-N 3.49Å
59T92.8Very high92.9Very high56 Ų5659.1 Ų59.134%0.34430%0.298SS..EExtended strand (participates in β ladder)trans-123.4142.5168.869.30000111.5E49 I50 I51 K61E49-T59 HydrophobicContact CG-CG2 4.38Å; E49-T59 PolarHBondContact OE2-OG1 3.05Å; I50-T59 CarbonylContact O-C 3.43Å; I50-T59 WeakPolarHBondContact O-CA 3.31Å; I51-T59 HydrophobicContact CG1-CG2 4.47Å; T59-K61 WeakPolarHBondContact OG1-CE 3.3Å
60V94.9Very high92.8Very high48 Ų4860.6 Ų60.629%0.29131%0.305SS..EExtended strand (participates in β ladder)trans-94.5118.6171-1760000107.9E49 I50 N52 Y62E49-V60 WeakPolarHBondContact CA-O 3.31Å; I50-V60 HydrophobicContact CG2-CB 3.98Å; I50-V60 PolarHBondContact N-O 2.92Å; I50-V60 PolarHBondContact O-N 3.24Å; N52-V60 HydrophobicContact CB-CG2 4.47Å; V60-Y62 HydrophobicContact CB-CE2 4.28Å; V60-Y62 HydrophobicContact CG1-CD2 4.3Å; V60-Y62 HydrophobicContact CG1-CE2 3.64Å
61K96.1Very high92.6Very high135 Ų13568.6 Ų68.659%0.58734%0.342SS*.EExtended strand (participates in β ladder)trans-96.5140-177.8-51.3-161.2179.6-146.40111L43 L48 E49 T59L43-K61 HydrophobicContact CD1-CD 3.99Å; L48-K61 WeakPolarHBondContact O-CA 3.29Å; E49-K61 HydrophobicContact CB-CG 4.02Å; E49-K61 WeakPolarHBondContact OE2-CE 3.38Å; E49-K61 IonicContact OE2-NZ 2.76Å; E49-K61 PolarHBondContact OE2-NZ 2.83Å; T59-K61 WeakPolarHBondContact OG1-CE 3.3Å
62Y97.6Very high92.8Very high22 Ų2269 Ų699%0.08635%0.345CS..EExtended strand (participates in β ladder)trans-127.2146.8178-68.8-95.8000111N47 L48 I50 V60 F64 F330 L333 N334 A337N47-Y62 WeakPolarHBondContact CA-O 3.19Å; L48-Y62 HydrophobicContact CD1-CD2 4.17Å; L48-Y62 PolarHBondContact N-O 3.45Å; L48-Y62 VanDerWaalsContact N-O 3.07Å; L48-Y62 PolarHBondContact O-N 3.23Å; I50-Y62 HydrophobicContact CG2-CD2 4.37Å; I50-Y62 HydrophobicContact CG2-CE2 3.81Å; V60-Y62 HydrophobicContact CB-CE2 4.28Å; V60-Y62 HydrophobicContact CG1-CD2 4.3Å; V60-Y62 HydrophobicContact CG1-CE2 3.64Å; Y62-F64 HydrophobicContact CD1-CE2 4.26Å; Y62-F64 HydrophobicContact CD1-CZ 4.06Å; Y62-F64 HydrophobicContact CG-CE2 4.09Å; Y62-F64 HydrophobicContact CG-CZ 4.36Å; Y62-F330 VanDerWaalsContact OH-CE2 3.24Å; Y62-F330 WeakPolarHBondContact OH-CE2 3.13Å; Y62-L333 HydrophobicContact CD1-CB 4.22Å; Y62-L333 HydrophobicContact CD2-CB 4.38Å; Y62-L333 HydrophobicContact CD2-CD1 4.11Å; Y62-L333 HydrophobicContact CE1-CB 3.9Å; Y62-L333 HydrophobicContact CE2-CB 4.06Å; Y62-L333 HydrophobicContact CE2-CD1 3.97Å; Y62-L333 HydrophobicContact CG-CB 4.46Å; Y62-N334 VanDerWaalsContact OH-CG 3.28Å; Y62-N334 PolarHBondContact OH-ND2 3.38Å; Y62-N334 PolarHBondContact OH-OD1 2.88Å; Y62-A337 HydrophobicContact CD1-CB 4.32Å; Y62-A337 HydrophobicContact CE1-CB 4.48Å
63H97.3Very high93.1Very high102 Ų10270.5 Ų70.547%0.47236%0.356SS..EExtended strand (participates in β ladder)trans-126.6114-176.3167.665.2000111.4Q46 N47 K340Q46-H63 PolarHBondContact OE1-CE1 3.44Å; N47-H63 WeakPolarHBondContact OD1-CA 3.29Å; N47-H63 VanDerWaalsContact OD1-CB 3.31Å; N47-H63 WeakPolarHBondContact OD1-CB 3.01Å; N47-H63 PolarHBondContact OD1-ND1 3.43Å; H63-K340 PolarHBondContact CD2-NZ 3.17Å; H63-K340 PolarHBondContact NE2-NZ 3.01Å; H63-K340 PolarHBondContact O-NZ 2.88Å
64F97.7Very high93.6Very high0 Ų063.8 Ų63.80%033%0.33CS..  trans-117.1177.5-175.5-66.8-73.2000112.1V20 V22 Q46 L48 Y62 L333 A336 A337 K340V20-F64 HydrophobicContact CB-CD1 4.18Å; V20-F64 HydrophobicContact CG1-CD1 3.55Å; V20-F64 HydrophobicContact CG1-CE1 3.93Å; V22-F64 HydrophobicContact CB-CD2 4.24Å; V22-F64 HydrophobicContact CG2-CB 4.18Å; V22-F64 HydrophobicContact CG2-CD1 3.81Å; V22-F64 HydrophobicContact CG2-CD2 3.33Å; V22-F64 HydrophobicContact CG2-CE1 3.97Å; V22-F64 HydrophobicContact CG2-CE2 3.49Å; V22-F64 VanDerWaalsContact CG2-CE2 3.49Å; V22-F64 HydrophobicContact CG2-CG 3.48Å; V22-F64 VanDerWaalsContact CG2-CG 3.48Å; V22-F64 HydrophobicContact CG2-CZ 3.82Å; Q46-F64 WeakPolarHBondContact CB-O 3.46Å; Q46-F64 PolarHBondContact O-N 2.66Å; L48-F64 HydrophobicContact CD2-CD2 3.89Å; L48-F64 HydrophobicContact CD2-CE2 3.89Å; L48-F64 HydrophobicContact CG-CE2 4.5Å; Y62-F64 HydrophobicContact CD1-CE2 4.26Å; Y62-F64 HydrophobicContact CD1-CZ 4.06Å; Y62-F64 HydrophobicContact CG-CE2 4.09Å; Y62-F64 HydrophobicContact CG-CZ 4.36Å; F64-L333 HydrophobicContact CE2-CD2 3.77Å; F64-L333 HydrophobicContact CZ-CD2 4.03Å; F64-A336 HydrophobicContact CE1-CB 3.68Å; F64-A336 HydrophobicContact CZ-CB 4.07Å; F64-A337 HydrophobicContact CE1-CB 4.28Å; F64-A337 HydrophobicContact CZ-CB 4.4Å; F64-K340 PolarHBondContact O-NZ 3Å
65D97.3Very high94Very high49 Ų4958 Ų5826%0.26231%0.312SS..SBendtrans-83.6-21.7-179.8-51.2-42.1000111.8R19 V20 K340R19-D65 WeakPolarHBondContact CA-OD2 3.38Å; R19-D65 HydrophobicContact CG-CB 3.72Å; V20-D65 PolarHBondContact N-OD2 2.78Å; V20-D65 PolarHBondContact O-N 3.2Å; D65-K340 WeakPolarHBondContact OD1-CD 3.45Å; D65-K340 WeakPolarHBondContact OD1-CE 3.41Å; D65-K340 IonicContact OD1-NZ 3.22Å; D65-K340 PolarHBondContact OD1-NZ 3.28Å
66V97.4Very high94.5Very high17 Ų1760 Ų6010%0.10332%0.319CS..EExtended strand (participates in β ladder)trans-151.1141.4163.4-162.40000109.1V20 A21 V22 S45 H68V20-V66 PolarHBondContact O-N 3.44Å; A21-V66 CarbonylContact C-O 3.56Å; A21-V66 VanDerWaalsContact CA-O 3.31Å; A21-V66 WeakPolarHBondContact CA-O 3.25Å; A21-V66 HydrophobicContact CB-CB 4.13Å; V22-V66 PolarHBondContact N-O 2.93Å; S45-V66 CarbonylContact O-C 3.59Å; S45-V66 WeakPolarHBondContact O-CA 3.2Å; V66-H68 WeakPolarHBondContact CG1-CE1 3.35Å
67F98.1Very high95.3Very high15 Ų1556.5 Ų56.57%0.06629%0.29CS..EExtended strand (participates in β ladder)trans-113.8125.7162.3174.2-102.6000109.8V22 L24 G42 D44 S45 L48V22-F67 HydrophobicContact CB-CD2 4.2Å; V22-F67 HydrophobicContact CG1-CD2 4.17Å; V22-F67 HydrophobicContact CG1-CE2 4.4Å; L24-F67 HydrophobicContact CB-CE2 4.01Å; L24-F67 HydrophobicContact CB-CZ 3.9Å; L24-F67 HydrophobicContact CD2-CZ 4.1Å; G42-F67 VanDerWaalsContact CA-CE1 3.43Å; D44-F67 WeakPolarHBondContact O-CD1 3.29Å; S45-F67 PolarHBondContact O-N 2.93Å; L48-F67 HydrophobicContact CB-CD2 3.93Å; L48-F67 HydrophobicContact CB-CE2 3.91Å; L48-F67 HydrophobicContact CB-CG 4.38Å; L48-F67 HydrophobicContact CB-CZ 4.36Å; L48-F67 HydrophobicContact CD2-CD2 3.42Å; L48-F67 VanDerWaalsContact CD2-CD2 3.42Å; L48-F67 HydrophobicContact CD2-CE2 3.72Å; L48-F67 HydrophobicContact CD2-CG 4.38Å; L48-F67 HydrophobicContact CG-CD2 4.32Å; L48-F67 HydrophobicContact CG-CE2 4.44Å
68H97.6Very high96Very high7 Ų750.8 Ų50.83%0.03226%0.255CS..EExtended strand (participates in β ladder)trans-103.6110.9174.2-60.9-60.3000108.3V22 R23 L24 V66 T72 V77 S80 S81V22-H68 WeakPolarHBondContact O-CB 3.33Å; V22-H68 PolarHBondContact O-N 2.7Å; R23-H68 WeakPolarHBondContact CA-O 3.45Å; R23-H68 HydrophobicContact CB-CB 4.04Å; R23-H68 HydrophobicContact CG-CB 3.88Å; L24-H68 PolarHBondContact N-O 2.66Å; V66-H68 WeakPolarHBondContact CG1-CE1 3.35Å; H68-T72 HydrophobicContact CB-CG2 4.03Å; H68-V77 HydrophobicContact CB-CG2 4.25Å; H68-S80 PolarHBondContact CE1-OG 2.85Å; H68-S81 PolarHBondContact NE2-OG 3.5Å
69G95.8Very high96.4Very high18 Ų1849.9 Ų49.919%0.18625%0.253CS..  trans-75.1178.9177.900000113Q71 T72G69-Q71 PolarHBondContact O-N 3.5Å; G69-Q71 VanDerWaalsContact O-N 3.14Å; G69-T72 PolarHBondContact N-OG1 3.06Å; G69-T72 VanDerWaalsContact N-OG1 3.12Å; G69-T72 WeakPolarHBondContact O-CB 3.25Å; G69-T72 PolarHBondContact O-N 3.08Å; G69-T72 PolarHBondContact O-OG1 2.9Å
70E92.6Very high96.5Very high58 Ų5849.2 Ų49.227%0.27125%0.25SS..THydrogen-bonded Turntrans-57.1-33.5-174.1-65-173.5-140.200113.7L24 P26 Y27 T72L24-E70 HydrophobicContact CB-CG 4.47Å; L24-E70 HydrophobicContact CD2-CG 3.77Å; L24-E70 HydrophobicContact CG-CG 3.84Å; P26-E70 VanDerWaalsContact CA-OE2 3.28Å; P26-E70 WeakPolarHBondContact CA-OE2 3.28Å; P26-E70 HydrophobicContact CG-CB 4.47Å; P26-E70 WeakPolarHBondContact CG-O 3.28Å; Y27-E70 PolarHBondContact N-OE2 3.4Å; E70-T72 VanDerWaalsContact C-N 3.34Å
71Q93Very high96.6Very high169 Ų16947 Ų4779%0.7924%0.236SC*.THydrogen-bonded Turntrans-82.8-5.7-179.2-53.6-56.7-24.800113.9G69 T73G69-Q71 PolarHBondContact O-N 3.5Å; G69-Q71 VanDerWaalsContact O-N 3.14Å; Q71-T73 PolarHBondContact O-N 3.41Å
72T95.6Very high96.7Very high30 Ų3040.5 Ų40.518%0.18421%0.208CC..  trans-74.6117.6-171.2-50.80000112.5R23 H68 G69 E70 E76 V77R23-T72 PolarHBondContact NH2-O 3.33Å; H68-T72 HydrophobicContact CB-CG2 4.03Å; G69-T72 PolarHBondContact N-OG1 3.06Å; G69-T72 VanDerWaalsContact N-OG1 3.12Å; G69-T72 WeakPolarHBondContact O-CB 3.25Å; G69-T72 PolarHBondContact O-N 3.08Å; G69-T72 PolarHBondContact O-OG1 2.9Å; E70-T72 VanDerWaalsContact C-N 3.34Å; T72-E76 HydrophobicContact CG2-CB 3.66Å; T72-V77 HydrophobicContact CG2-CG2 4.04Å
73T96.2Very high96.6Very high58 Ų5843.2 Ų43.236%0.35622%0.221SC..  trans-67.6163.9-176.569.20000112.7Q71 Q75 E76 V77Q71-T73 PolarHBondContact O-N 3.41Å; T73-Q75 PolarHBondContact O-N 2.74Å; T73-E76 WeakPolarHBondContact CA-OE2 3.28Å; T73-E76 VanDerWaalsContact CB-OE2 3.24Å; T73-E76 WeakPolarHBondContact CB-OE2 3.37Å; T73-E76 VanDerWaalsContact CG2-OE2 3.31Å; T73-E76 WeakPolarHBondContact CG2-OE2 3.38Å; T73-E76 PolarHBondContact N-OE2 3.47Å; T73-E76 PolarHBondContact O-N 3.08Å; T73-E76 VanDerWaalsContact OG1-CD 3.31Å; T73-E76 WeakPolarHBondContact OG1-CG 3.37Å; T73-E76 PolarHBondContact OG1-N 2.98Å; T73-E76 PolarHBondContact OG1-OE2 3.02Å; T73-V77 WeakPolarHBondContact O-CG2 3.44Å; T73-V77 PolarHBondContact O-N 2.96Å
74Q96.5Very high96.6Very high5 Ų541.6 Ų41.62%0.02322%0.219CC..Hα-helixtrans-60.9-33.3174.8-57.2-79.173.400112.8R23 F78 H109 Q117 P118R23-Q74 VanDerWaalsContact CZ-OE1 3.31Å; Q74-F78 WeakPolarHBondContact O-CB 3.32Å; Q74-F78 PolarHBondContact O-N 3.19Å; Q74-F78 VanDerWaalsContact O-N 3.15Å; Q74-H109 PolarHBondContact NE2-O 2.87Å; Q74-H109 PolarHBondContact OE1-CE1 3.21Å; Q74-Q117 HydrophobicContact CG-CB 3.86Å; Q74-Q117 WeakPolarHBondContact CG-O 3.12Å; Q74-Q117 PolarHBondContact NE2-O 3.09Å; Q74-P118 VanDerWaalsContact CB-O 3.27Å; Q74-P118 WeakPolarHBondContact CB-O 3.38Å
75Q96.6Very high96.5Very high77 Ų7742.3 Ų42.336%0.3622%0.223SC..Hα-helixtrans-70.6-43.7-179.5179.365.3-6.300111T73 F78 L79T73-Q75 PolarHBondContact O-N 2.74Å; Q75-F78 PolarHBondContact O-N 3.19Å; Q75-L79 HydrophobicContact CG-CD1 3.85Å; Q75-L79 HydrophobicContact CG-CG 4.2Å; Q75-L79 WeakPolarHBondContact O-CB 3.33Å; Q75-L79 VanDerWaalsContact O-CG 3.29Å; Q75-L79 WeakPolarHBondContact O-CG 3.46Å; Q75-L79 PolarHBondContact O-N 3.18Å
76E97Very high96.5Very high98 Ų9840 Ų4046%0.45821%0.211SC..Hα-helixtrans-65.8-42.7179.3-69.1158.512800112T72 T73 F78 L79 S80T72-E76 HydrophobicContact CG2-CB 3.66Å; T73-E76 WeakPolarHBondContact CA-OE2 3.28Å; T73-E76 VanDerWaalsContact CB-OE2 3.24Å; T73-E76 WeakPolarHBondContact CB-OE2 3.37Å; T73-E76 VanDerWaalsContact CG2-OE2 3.31Å; T73-E76 WeakPolarHBondContact CG2-OE2 3.38Å; T73-E76 PolarHBondContact N-OE2 3.47Å; T73-E76 PolarHBondContact O-N 3.08Å; T73-E76 VanDerWaalsContact OG1-CD 3.31Å; T73-E76 WeakPolarHBondContact OG1-CG 3.37Å; T73-E76 PolarHBondContact OG1-N 2.98Å; T73-E76 PolarHBondContact OG1-OE2 3.02Å; E76-F78 VanDerWaalsContact C-N 3.3Å; E76-F78 PolarHBondContact O-N 3.07Å; E76-L79 PolarHBondContact O-N 3.11Å; E76-S80 VanDerWaalsContact O-CB 3.25Å; E76-S80 WeakPolarHBondContact O-CB 3.31Å; E76-S80 PolarHBondContact O-N 3Å; E76-S80 PolarHBondContact O-OG 3.4Å
77V97.5Very high96.4Very high1 Ų141.9 Ų41.91%0.00622%0.223CC..Hα-helixtrans-57.4-45.3172.9177.10000110.5H68 T72 T73 S80 S81 T110 I316H68-V77 HydrophobicContact CB-CG2 4.25Å; T72-V77 HydrophobicContact CG2-CG2 4.04Å; T73-V77 WeakPolarHBondContact O-CG2 3.44Å; T73-V77 PolarHBondContact O-N 2.96Å; V77-S80 PolarHBondContact O-OG 2.85Å; V77-S81 WeakPolarHBondContact O-CB 3.24Å; V77-S81 PolarHBondContact O-N 2.79Å; V77-S81 VanDerWaalsContact O-N 3.16Å; V77-S81 PolarHBondContact O-OG 3.22Å; V77-T110 HydrophobicContact CG1-CG2 4.22Å; V77-I316 HydrophobicContact CG1-CD1 4.22Å
78F98.4Very high96.3Very high6 Ų644.2 Ų44.23%0.02623%0.234CC..Iπ-helixtrans-63.9-52.8177.9174.9-105.6000112.7Q74 Q75 E76 V82 K83 L86 R123 A124 E127Q74-F78 WeakPolarHBondContact O-CB 3.32Å; Q74-F78 PolarHBondContact O-N 3.19Å; Q74-F78 VanDerWaalsContact O-N 3.15Å; Q75-F78 PolarHBondContact O-N 3.19Å; E76-F78 VanDerWaalsContact C-N 3.3Å; E76-F78 PolarHBondContact O-N 3.07Å; F78-V82 HydrophobicContact CD2-CB 3.86Å; F78-V82 HydrophobicContact CD2-CG1 3.96Å; F78-V82 HydrophobicContact CE2-CB 4.15Å; F78-V82 HydrophobicContact CE2-CG1 3.83Å; F78-V82 WeakPolarHBondContact O-CA 3.37Å; F78-V82 PolarHBondContact O-N 2.77Å; F78-K83 HydrophobicContact CE1-CB 4.1Å; F78-K83 HydrophobicContact CE1-CD 4.4Å; F78-K83 HydrophobicContact CZ-CB 4.16Å; F78-K83 PolarHBondContact O-N 2.62Å; F78-L86 HydrophobicContact CE2-CD1 4.01Å; F78-L86 HydrophobicContact CZ-CD1 3.89Å; F78-R123 HydrophobicContact CB-CB 4.41Å; F78-R123 HydrophobicContact CD1-CB 3.82Å; F78-R123 HydrophobicContact CD1-CG 4.48Å; F78-R123 HydrophobicContact CD2-CB 3.65Å; F78-R123 HydrophobicContact CE1-CB 3.96Å; F78-R123 HydrophobicContact CE2-CB 3.82Å; F78-R123 HydrophobicContact CG-CB 3.66Å; F78-R123 HydrophobicContact CG-CG 4.4Å; F78-R123 HydrophobicContact CZ-CB 3.97Å; F78-A124 HydrophobicContact CE2-CB 3.93Å; F78-E127 HydrophobicContact CE1-CB 4.35Å; F78-E127 HydrophobicContact CZ-CB 3.74Å; F78-E127 HydrophobicContact CZ-CG 4.03Å
79L97.7Very high96.2Very high77 Ų7744 Ų4440%0.40323%0.233SC..Iπ-helixtrans-62.7-45.6-176.4-71.7178.1000112.6Q75 E76 K83 P84Q75-L79 HydrophobicContact CG-CD1 3.85Å; Q75-L79 HydrophobicContact CG-CG 4.2Å; Q75-L79 WeakPolarHBondContact O-CB 3.33Å; Q75-L79 VanDerWaalsContact O-CG 3.29Å; Q75-L79 WeakPolarHBondContact O-CG 3.46Å; Q75-L79 PolarHBondContact O-N 3.18Å; E76-L79 PolarHBondContact O-N 3.11Å; L79-K83 HydrophobicContact CD2-CD 3.76Å; L79-P84 WeakPolarHBondContact O-CD 3.3Å
80S95.6Very high96Very high42 Ų4243.3 Ų43.329%0.29423%0.225SC..Iπ-helixtrans-74.2-38-176.460.50000113.4R19 H68 E76 V77R19-S80 VanDerWaalsContact CZ-O 3.31Å; R19-S80 PolarHBondContact NH1-O 3.46Å; R19-S80 PolarHBondContact NH2-O 3.26Å; H68-S80 PolarHBondContact CE1-OG 2.85Å; E76-S80 VanDerWaalsContact O-CB 3.25Å; E76-S80 WeakPolarHBondContact O-CB 3.31Å; E76-S80 PolarHBondContact O-N 3Å; E76-S80 PolarHBondContact O-OG 3.4Å; V77-S80 PolarHBondContact O-OG 2.85Å
81S96.6Very high95.9Very high0 Ų043.6 Ų43.60%023%0.229CC..Iπ-helixtrans-110.3-36-163.1-51.70000112.9H68 V77 V314H68-S81 PolarHBondContact NE2-OG 3.5Å; V77-S81 WeakPolarHBondContact O-CB 3.24Å; V77-S81 PolarHBondContact O-N 2.79Å; V77-S81 VanDerWaalsContact O-N 3.16Å; V77-S81 PolarHBondContact O-OG 3.22Å; S81-V314 WeakPolarHBondContact O-CG2 3.5Å
82V97.9Very high95.8Very high0 Ų035.6 Ų35.60%019%0.191CC..Iπ-helixtrans-107-48.5-172177.50000113.1F78 P84 I85 L86 V97 V120 A124 I316F78-V82 HydrophobicContact CD2-CB 3.86Å; F78-V82 HydrophobicContact CD2-CG1 3.96Å; F78-V82 HydrophobicContact CE2-CB 4.15Å; F78-V82 HydrophobicContact CE2-CG1 3.83Å; F78-V82 WeakPolarHBondContact O-CA 3.37Å; F78-V82 PolarHBondContact O-N 2.77Å; V82-P84 VanDerWaalsContact C-N 3.27Å; V82-P84 VanDerWaalsContact O-N 3.12Å; V82-I85 WeakPolarHBondContact O-CG1 3.42Å; V82-I85 PolarHBondContact O-N 3.4Å; V82-I85 VanDerWaalsContact O-N 3.08Å; V82-L86 HydrophobicContact CG1-CD2 4.29Å; V82-L86 HydrophobicContact CG1-CG 4.49Å; V82-V97 HydrophobicContact CB-CG2 4.46Å; V82-V97 HydrophobicContact CG1-CG2 3.83Å; V82-V97 HydrophobicContact CG2-CG1 3.97Å; V82-V97 HydrophobicContact CG2-CG2 3.97Å; V82-V120 HydrophobicContact CG1-CG1 4.15Å; V82-V120 HydrophobicContact CG2-CG1 3.94Å; V82-V120 HydrophobicContact CG2-CG2 4.09Å; V82-A124 HydrophobicContact CG1-CB 4.43Å; V82-I316 HydrophobicContact CG2-CD1 4.18Å
83K97.6Very high95.8Very high78 Ų7836.1 Ų36.134%0.33919%0.191SC..G310 helixtrans-48.9-39.7-179180164.7171.6138.60113.7F78 L79 I85 L86 P87 E127F78-K83 HydrophobicContact CE1-CB 4.1Å; F78-K83 HydrophobicContact CE1-CD 4.4Å; F78-K83 HydrophobicContact CZ-CB 4.16Å; F78-K83 PolarHBondContact O-N 2.62Å; L79-K83 HydrophobicContact CD2-CD 3.76Å; K83-I85 VanDerWaalsContact C-N 3.28Å; K83-I85 PolarHBondContact O-N 3.39Å; K83-L86 PolarHBondContact O-N 3.24Å; K83-P87 WeakPolarHBondContact O-CD 3.33Å; K83-E127 HydrophobicContact CD-CG 4.49Å; K83-E127 WeakPolarHBondContact CE-OE1 3.41Å; K83-E127 HydrophobicContact CG-CG 4.4Å; K83-E127 IonicContact NZ-OE1 3.82Å; K83-E127 PolarHBondContact NZ-OE1 3.42Å; K83-E127 IonicContact NZ-OE2 3.65Å; K83-E127 PolarHBondContact NZ-OE2 2.84Å; K83-E127 VanDerWaalsContact NZ-OE2 3.09Å
84P96.7Very high95.7Very high68 Ų6833.3 Ų33.344%0.44217%0.174SC..G310 helixtrans-61.1-25.6-179.7-26.837000115.9L79 V82L79-P84 WeakPolarHBondContact O-CD 3.3Å; V82-P84 VanDerWaalsContact C-N 3.27Å; V82-P84 VanDerWaalsContact O-N 3.12Å
85I96.1Very high95.7Very high16 Ų1633.1 Ų33.18%0.08217%0.173CC..G310 helixtrans-90.7-10.5-179.758.6160.2000113.9V82 K83 H88 A95 V97 H312 V314V82-I85 WeakPolarHBondContact O-CG1 3.42Å; V82-I85 PolarHBondContact O-N 3.4Å; V82-I85 VanDerWaalsContact O-N 3.08Å; K83-I85 VanDerWaalsContact C-N 3.28Å; K83-I85 PolarHBondContact O-N 3.39Å; I85-H88 PolarHBondContact O-N 3.25Å; I85-A95 HydrophobicContact CD1-CB 4.23Å; I85-V97 HydrophobicContact CD1-CG2 3.87Å; I85-H312 HydrophobicContact CB-CB 4.29Å; I85-H312 HydrophobicContact CG2-CB 4.05Å; I85-V314 HydrophobicContact CD1-CB 4.35Å; I85-V314 HydrophobicContact CD1-CG2 3.71Å; I85-V314 HydrophobicContact CG1-CG2 4.23Å; I85-V314 HydrophobicContact CG2-CG2 4.1Å
86L97Very high95.7Very high0 Ų029.4 Ų29.40%016%0.156CC..THydrogen-bonded Turntrans-69.7-39.4-175.8-56.6179.5000114.1F78 V82 K83 H88 I89 A124 E127 V128 L131 L243F78-L86 HydrophobicContact CE2-CD1 4.01Å; F78-L86 HydrophobicContact CZ-CD1 3.89Å; V82-L86 HydrophobicContact CG1-CD2 4.29Å; V82-L86 HydrophobicContact CG1-CG 4.49Å; K83-L86 PolarHBondContact O-N 3.24Å; L86-H88 PolarHBondContact O-N 3.04Å; L86-I89 HydrophobicContact CB-CD1 4.15Å; L86-I89 HydrophobicContact CD2-CD1 3.67Å; L86-I89 WeakPolarHBondContact O-CB 3.42Å; L86-I89 WeakPolarHBondContact O-CD1 3.45Å; L86-I89 VanDerWaalsContact O-CG1 3.28Å; L86-I89 WeakPolarHBondContact O-CG1 3.49Å; L86-I89 PolarHBondContact O-N 2.83Å; L86-A124 HydrophobicContact CD1-CB 4.27Å; L86-A124 HydrophobicContact CD2-CB 4.38Å; L86-E127 HydrophobicContact CD1-CB 3.87Å; L86-E127 HydrophobicContact CD1-CG 3.66Å; L86-V128 HydrophobicContact CD2-CG2 4.44Å; L86-L131 HydrophobicContact CB-CD1 3.91Å; L86-L243 HydrophobicContact CD2-CD1 4.12Å; L86-L243 HydrophobicContact CD2-CD2 3.77Å
87P95.3Very high95.8Very high56 Ų5624.8 Ų24.836%0.36413%0.134SC..Hα-helixtrans-60.3-19.1176.8-2736.7000115.1K83 I89 N91 L131K83-P87 WeakPolarHBondContact O-CD 3.33Å; P87-I89 VanDerWaalsContact C-N 3.32Å; P87-N91 PolarHBondContact O-ND2 3.13Å; P87-L131 HydrophobicContact CG-CD1 4.24Å
88H94.9Very high95.7Very high65 Ų6524.8 Ų24.830%0.30113%0.134SC..Hα-helixtrans-70.3-27.9174.2-61.6-48000112.8I85 L86 N91 Q93 H312I85-H88 PolarHBondContact O-N 3.25Å; L86-H88 PolarHBondContact O-N 3.04Å; H88-N91 CarbonylContact O-C 3.58Å; H88-N91 PolarHBondContact O-N 2.75Å; H88-Q93 HydrophobicContact CB-CB 4.24Å; H88-Q93 WeakPolarHBondContact O-CB 3.21Å; H88-Q93 PolarHBondContact O-N 2.92Å; H88-Q93 VanDerWaalsContact O-N 3.11Å; H88-H312 AromaticContact CD2-CD2 3.41Å; H88-H312 PolarHBondContact CD2-CD2 2.81Å; H88-H312 VanDerWaalsContact CD2-CD2 3.41Å; H88-H312 AromaticContact CD2-CE1 3.75Å; H88-H312 AromaticContact CD2-CG 3.61Å; H88-H312 AromaticContact CD2-ND1 3.87Å; H88-H312 AromaticContact CD2-NE2 3.5Å; H88-H312 PolarHBondContact CD2-NE2 2.84Å; H88-H312 AromaticContact CG-CD2 3.52Å; H88-H312 AromaticContact CG-NE2 3.46Å; H88-H312 AromaticContact ND1-NE2 3.87Å; H88-H312 AromaticContact NE2-CE1 3.81Å; H88-H312 AromaticContact NE2-NE2 3.94Å
89I95.3Very high95.6Very high1 Ų124.5 Ų24.51%0.00513%0.133CC..Hα-helixtrans-65.4-45.9-179.1-48.7156.4000110.1L86 P87 N91 G92 A95 V128 V227 G241 L243L86-I89 HydrophobicContact CB-CD1 4.15Å; L86-I89 HydrophobicContact CD2-CD1 3.67Å; L86-I89 WeakPolarHBondContact O-CB 3.42Å; L86-I89 WeakPolarHBondContact O-CD1 3.45Å; L86-I89 VanDerWaalsContact O-CG1 3.28Å; L86-I89 WeakPolarHBondContact O-CG1 3.49Å; L86-I89 PolarHBondContact O-N 2.83Å; P87-I89 VanDerWaalsContact C-N 3.32Å; I89-N91 PolarHBondContact O-N 3.37Å; I89-G92 PolarHBondContact O-N 2.83Å; I89-A95 HydrophobicContact CD1-CB 4.18Å; I89-A95 HydrophobicContact CG1-CB 3.63Å; I89-V128 HydrophobicContact CD1-CG2 3.96Å; I89-V227 HydrophobicContact CG2-CB 3.97Å; I89-V227 HydrophobicContact CG2-CG2 3.72Å; I89-G241 WeakPolarHBondContact O-CA 3.48Å; I89-L243 HydrophobicContact CD1-CB 3.66Å; I89-L243 HydrophobicContact CD1-CD1 4.2Å; I89-L243 HydrophobicContact CD1-CD2 3.88Å; I89-L243 HydrophobicContact CD1-CG 4.11Å; I89-L243 HydrophobicContact CG1-CB 4.22Å
90L91.9Very high95.5Very high5 Ų521.4 Ų21.43%0.02612%0.116CC..Hα-helixtrans-62.5-24.1177.5-74.176.9000112.1G92 L131 V132 K135 Y143 R229L90-G92 VanDerWaalsContact C-N 3.28Å; L90-G92 PolarHBondContact O-N 3.19Å; L90-L131 HydrophobicContact CD1-CB 4.07Å; L90-L131 HydrophobicContact CD1-CD1 4.37Å; L90-L131 HydrophobicContact CD2-CB 3.84Å; L90-L131 WeakPolarHBondContact CD2-O 3.18Å; L90-V132 HydrophobicContact CD2-CG2 3.82Å; L90-V132 HydrophobicContact CG-CG2 4.05Å; L90-K135 HydrophobicContact CD2-CD 4.14Å; L90-Y143 HydrophobicContact CB-CE1 4.29Å; L90-Y143 HydrophobicContact CD2-CE1 4.28Å; L90-Y143 HydrophobicContact CG-CE1 4.3Å; L90-R229 VanDerWaalsContact O-CD 3.29Å; L90-R229 WeakPolarHBondContact O-CD 3.31Å; L90-R229 PolarHBondContact O-NE 2.93Å; L90-R229 PolarHBondContact O-NH1 2.85Å
91N90.4Very high95.5Very high64 Ų6419.4 Ų19.434%0.34210%0.102SC..THydrogen-bonded Turntrans-91.322.4175.6-70-67.1000113.9P87 H88 I89 Q93 R229 T348P87-N91 PolarHBondContact O-ND2 3.13Å; H88-N91 CarbonylContact O-C 3.58Å; H88-N91 PolarHBondContact O-N 2.75Å; I89-N91 PolarHBondContact O-N 3.37Å; N91-Q93 VanDerWaalsContact C-N 3.28Å; N91-Q93 PolarHBondContact O-N 3.31Å; N91-R229 PolarHBondContact OD1-NH1 2.98Å; N91-R229 PolarHBondContact OD1-NH2 3.23Å; N91-T348 VanDerWaalsContact O-CG2 3.28Å; N91-T348 WeakPolarHBondContact O-CG2 3.42Å; N91-T348 PolarHBondContact O-OG1 3.49Å
92G91.6Very high95.2Very high0 Ų019.5 Ų19.50%010%0.103CC..THydrogen-bonded Turntrans71.916.1174.200000114.9I89 L90 T348 R349I89-G92 PolarHBondContact O-N 2.83Å; L90-G92 VanDerWaalsContact C-N 3.28Å; L90-G92 PolarHBondContact O-N 3.19Å; G92-T348 WeakPolarHBondContact O-CA 3.13Å; G92-R349 PolarHBondContact O-N 2.58Å
93Q94Very high94.8Very high41 Ų4121.2 Ų21.219%0.19211%0.113CC..  trans-100.8161.1178.7-53.2-173.3-7.800110.1H88 N91 G241 H312 T348H88-Q93 HydrophobicContact CB-CB 4.24Å; H88-Q93 WeakPolarHBondContact O-CB 3.21Å; H88-Q93 PolarHBondContact O-N 2.92Å; H88-Q93 VanDerWaalsContact O-N 3.11Å; N91-Q93 VanDerWaalsContact C-N 3.28Å; N91-Q93 PolarHBondContact O-N 3.31Å; Q93-G241 VanDerWaalsContact O-CA 3.26Å; Q93-G241 WeakPolarHBondContact O-CA 3.36Å; Q93-H312 PolarHBondContact OE1-NE2 3.46Å; Q93-T348 VanDerWaalsContact CG-OG1 3.28Å; Q93-T348 WeakPolarHBondContact CG-OG1 3.12Å; Q93-T348 PolarHBondContact NE2-OG1 2.93Å; Q93-T348 VanDerWaalsContact NE2-OG1 3.08Å
94N94.8Very high94.3Very high0 Ų019.5 Ų19.50%012%0.118CC..EExtended strand (participates in β ladder)trans-90.4150.4177.5-45.4-71.5000110.4K242 S310 A311 H312 R349N94-K242 CarbonylContact C-O 3.6Å; N94-K242 VanDerWaalsContact CA-O 3.3Å; N94-K242 WeakPolarHBondContact CA-O 3.43Å; N94-S310 PolarHBondContact ND2-O 3.37Å; N94-S310 PolarHBondContact ND2-OG 3.26Å; N94-A311 HydrophobicContact CB-CB 3.65Å; N94-A311 CarbonylContact O-C 3.6Å; N94-A311 VanDerWaalsContact O-CA 3.27Å; N94-A311 WeakPolarHBondContact O-CA 3.29Å; N94-H312 PolarHBondContact O-N 2.79Å; N94-R349 PolarHBondContact ND2-NH1 2.87Å; N94-R349 PolarHBondContact OD1-NH1 3.26Å
95A96.8Very high94Very high0 Ų016.3 Ų16.30%010%0.097CC..EExtended strand (participates in β ladder)trans-134.9148.4177.100000109I85 I89 K242 L243 Y244 H312I85-A95 HydrophobicContact CD1-CB 4.23Å; I89-A95 HydrophobicContact CD1-CB 4.18Å; I89-A95 HydrophobicContact CG1-CB 3.63Å; A95-K242 PolarHBondContact N-O 3.04Å; A95-L243 HydrophobicContact CB-CD1 3.82Å; A95-L243 WeakPolarHBondContact O-CA 3.33Å; A95-Y244 PolarHBondContact O-N 3.15Å; A95-H312 CarbonylContact C-O 3.53Å; A95-H312 VanDerWaalsContact CA-O 3.28Å; A95-H312 WeakPolarHBondContact CA-O 3.47Å
96S96.9Very high93.8Very high0 Ų016.3 Ų16.30%010%0.101CC..EExtended strand (participates in β ladder)trans-145.2131.8-178.6-166.80000111Y244 S306 H312 S313 V314S96-Y244 CarbonylContact C-O 3.41Å; S96-Y244 WeakPolarHBondContact CA-O 3.43Å; S96-S306 VanDerWaalsContact CB-OG 3.28Å; S96-S306 WeakPolarHBondContact CB-OG 3.14Å; S96-S306 WeakPolarHBondContact OG-CB 3.46Å; S96-S306 PolarHBondContact OG-OG 2.84Å; S96-H312 PolarHBondContact N-O 3.46Å; S96-S313 CarbonylContact O-C 3.56Å; S96-S313 WeakPolarHBondContact O-CA 3.17Å; S96-V314 PolarHBondContact O-N 2.74Å
97V98.2Very high93.7Very high0 Ų016.8 Ų16.80%010%0.104CC..EExtended strand (participates in β ladder)trans-124.4123.1168.9-171.40000108.1V82 I85 M111 V120 Y244 L245 V246 V314 I316V82-V97 HydrophobicContact CB-CG2 4.46Å; V82-V97 HydrophobicContact CG1-CG2 3.83Å; V82-V97 HydrophobicContact CG2-CG1 3.97Å; V82-V97 HydrophobicContact CG2-CG2 3.97Å; I85-V97 HydrophobicContact CD1-CG2 3.87Å; V97-M111 HydrophobicContact CG1-SD 4.5Å; V97-V120 HydrophobicContact CG1-CG1 4.21Å; V97-Y244 PolarHBondContact N-O 2.95Å; V97-L245 HydrophobicContact CB-CD2 3.99Å; V97-L245 HydrophobicContact CG2-CD2 4.05Å; V97-V246 PolarHBondContact O-N 2.79Å; V97-V314 WeakPolarHBondContact CA-O 3.49Å; V97-I316 HydrophobicContact CG1-CD1 3.76Å; V97-I316 HydrophobicContact CG1-CG1 4.16Å
98F95.6Very high93.5Very high1 Ų116.2 Ų16.20%0.00410%0.099CC..EExtended strand (participates in β ladder)trans-130.2124.8177.559.3-85.4000112.4V18 V246 L248 L307 V314 M315 I316V18-F98 HydrophobicContact CG1-CZ 4.34Å; F98-V246 WeakPolarHBondContact CA-O 3.34Å; F98-V246 HydrophobicContact CB-CB 3.74Å; F98-V246 HydrophobicContact CB-CG1 4.21Å; F98-V246 HydrophobicContact CB-CG2 4.38Å; F98-L248 HydrophobicContact CD2-CD1 4.33Å; F98-L307 HydrophobicContact CE1-CD2 4.25Å; F98-L307 HydrophobicContact CZ-CD2 3.83Å; F98-V314 PolarHBondContact N-O 2.97Å; F98-M315 HydrophobicContact CD2-CB 4.29Å; F98-M315 HydrophobicContact CD2-CG 4.02Å; F98-M315 HydrophobicContact CE1-CB 4.23Å; F98-M315 HydrophobicContact CE2-CB 3.64Å; F98-M315 HydrophobicContact CE2-CG 3.46Å; F98-M315 VanDerWaalsContact CE2-CG 3.46Å; F98-M315 HydrophobicContact CE2-SD 3.9Å; F98-M315 HydrophobicContact CZ-CB 3.59Å; F98-M315 HydrophobicContact CZ-CG 3.95Å; F98-M315 HydrophobicContact CZ-SD 4.38Å; F98-I316 PolarHBondContact O-N 3.44Å
99A97Very high93.4Very high0 Ų017 Ų170%010%0.103CC..EExtended strand (participates in β ladder)trans-85.8128.7173.800000110.5K107 M111 V246 L248 I316A99-K107 HydrophobicContact CB-CB 4.03Å; A99-K107 HydrophobicContact CB-CG 4.33Å; A99-M111 HydrophobicContact CB-CG 3.58Å; A99-M111 HydrophobicContact CB-SD 3.87Å; A99-V246 PolarHBondContact N-O 2.93Å; A99-L248 VanDerWaalsContact O-CB 3.29Å; A99-L248 WeakPolarHBondContact O-CB 3.21Å; A99-L248 WeakPolarHBondContact O-CG 3.31Å; A99-L248 PolarHBondContact O-N 3.13Å; A99-I316 CarbonylContact C-O 3.43Å; A99-I316 WeakPolarHBondContact CA-O 3.16Å
100Y96.2Very high93.5Very high13 Ų1317 Ų175%0.05110%0.103CC..EExtended strand (participates in β ladder)trans-132.1154.6-177178.8-85.6000110.7L248 S251 L274 L277 M315 I316 T317 N318 A332 F335Y100-L248 HydrophobicContact CD2-CD1 3.83Å; Y100-L248 HydrophobicContact CG-CD1 4.49Å; Y100-S251 WeakPolarHBondContact OH-CB 3.41Å; Y100-L274 HydrophobicContact CE2-CD2 4.32Å; Y100-L277 HydrophobicContact CD2-CD2 4.43Å; Y100-L277 HydrophobicContact CE2-CD2 4.45Å; Y100-M315 HydrophobicContact CD1-CE 3.62Å; Y100-M315 HydrophobicContact CE1-CE 4.44Å; Y100-M315 HydrophobicContact CG-CE 3.73Å; Y100-I316 PolarHBondContact N-O 2.99Å; Y100-T317 HydrophobicContact CD1-CG2 4.41Å; Y100-T317 CarbonylContact O-C 3.06Å; Y100-N318 PolarHBondContact O-N 3.48Å; Y100-A332 HydrophobicContact CD1-CB 4.42Å; Y100-A332 HydrophobicContact CE1-CB 3.98Å; Y100-F335 AromaticContact CD1-CD1 3.7Å; Y100-F335 HydrophobicContact CD1-CD1 3.7Å; Y100-F335 HydrophobicContact CD1-CE1 4.13Å; Y100-F335 HydrophobicContact CD2-CD1 4.02Å; Y100-F335 AromaticContact CD2-CE1 3.69Å; Y100-F335 HydrophobicContact CD2-CE1 3.69Å; Y100-F335 HydrophobicContact CE1-CB 4.23Å; Y100-F335 AromaticContact CE1-CD1 3.33Å; Y100-F335 HydrophobicContact CE1-CD1 3.33Å; Y100-F335 HydrophobicContact CE1-CE1 4.04Å; Y100-F335 HydrophobicContact CE1-CG 4.08Å; Y100-F335 AromaticContact CE2-CD1 3.64Å; Y100-F335 HydrophobicContact CE2-CD1 3.64Å; Y100-F335 AromaticContact CE2-CE1 3.55Å; Y100-F335 HydrophobicContact CE2-CE1 3.55Å; Y100-F335 HydrophobicContact CE2-CG 4.46Å; Y100-F335 HydrophobicContact CE2-CZ 4.32Å; Y100-F335 HydrophobicContact CG-CD1 4.04Å; Y100-F335 AromaticContact CG-CE1 3.98Å; Y100-F335 HydrophobicContact CG-CE1 3.98Å; Y100-F335 AromaticContact CZ-CD1 3.28Å; Y100-F335 AromaticContact CZ-CE1 3.74Å; Y100-F335 AromaticContact CZ-CG 3.87Å
101G94.8Very high93.7Very high0 Ų016.8 Ų16.80%010%0.101CC..SBendtrans134.3-178.7176.700000112.8K107 S251G101-K107 PolarHBondContact O-NZ 3.37Å; G101-S251 WeakPolarHBondContact CA-OG 3.49Å; G101-S251 PolarHBondContact O-N 3.33Å; G101-S251 PolarHBondContact O-OG 2.76Å
102P90.9Very high93.8Very high1 Ų115.6 Ų15.61%0.00610%0.095CC..  trans-70.6165.3-176.419.7-25000114.2A105 K107 E252 Y325 D328P102-A105 HydrophobicContact CG-CB 4.02Å; P102-A105 VanDerWaalsContact O-CB 3.3Å; P102-A105 WeakPolarHBondContact O-CB 3.38Å; P102-A105 PolarHBondContact O-N 3.04Å; P102-K107 VanDerWaalsContact C-NZ 3.34Å; P102-K107 PolarHBondContact O-NZ 3Å; P102-E252 VanDerWaalsContact CA-OE2 3.23Å; P102-E252 WeakPolarHBondContact CA-OE2 3.2Å; P102-Y325 HydrophobicContact CB-CD1 4.49Å; P102-D328 HydrophobicContact CB-CB 3.83Å; P102-D328 HydrophobicContact CG-CB 3.87Å
103T88.6Confident93.8Very high36 Ų3616.8 Ų16.822%0.22111%0.107CC..THydrogen-bonded Turntrans-65.4130.8171.7-67.20000110.8S217 G250 E252 Y325T103-S217 VanDerWaalsContact OG1-CB 3.22Å; T103-S217 WeakPolarHBondContact OG1-CB 3.47Å; T103-G250 WeakPolarHBondContact OG1-CA 3.47Å; T103-E252 WeakPolarHBondContact CB-OE1 3.29Å; T103-E252 PolarHBondContact N-OE2 3.45Å; T103-E252 PolarHBondContact OG1-OE1 3.33Å; T103-E252 PolarHBondContact OG1-OE2 3.37Å; T103-Y325 VanDerWaalsContact O-CE1 3.23Å; T103-Y325 WeakPolarHBondContact O-CE1 3.44Å; T103-Y325 PolarHBondContact O-OH 3.28Å
104G86.6Confident93.4Very high43 Ų4317.1 Ų17.144%0.44311%0.112SC..THydrogen-bonded Turntrans85.7-4.3-172.300000115R25 G106R25-G104 PolarHBondContact NE-O 3.02Å; G104-G106 VanDerWaalsContact C-N 3.31Å; G104-G106 PolarHBondContact O-N 3.39Å
105A91.4Very high92.7Very high0 Ų017.8 Ų17.80%012%0.118CC..SBendtrans-78.1-9.4176.400000114.7P102 N318P102-A105 HydrophobicContact CG-CB 4.02Å; P102-A105 VanDerWaalsContact O-CB 3.3Å; P102-A105 WeakPolarHBondContact O-CB 3.38Å; P102-A105 PolarHBondContact O-N 3.04Å; A105-N318 HydrophobicContact CB-CB 4Å; A105-N318 WeakPolarHBondContact CB-O 3.46Å; A105-N318 WeakPolarHBondContact O-CB 3.5Å
106G92.6Very high92.2Very high17 Ų1722.4 Ų22.418%0.17514%0.139CC..SBendtrans100.122.217500000116.8G104 H109 T110 N318G104-G106 VanDerWaalsContact C-N 3.31Å; G104-G106 PolarHBondContact O-N 3.39Å; G106-H109 PolarHBondContact O-N 3.26Å; G106-T110 WeakPolarHBondContact O-CB 3.32Å; G106-T110 PolarHBondContact O-N 3.34Å; G106-T110 PolarHBondContact O-OG1 3.28Å; G106-N318 PolarHBondContact O-ND2 3.05Å
107K94.3Very high91.8Very high10 Ų1026.4 Ų26.44%0.04316%0.158CC..Hα-helixtrans-51.2-62.7172.6-64.2-172.3-63.9-75.90112.4A99 G101 P102 H109 T110 M111 L248 A249 N318A99-K107 HydrophobicContact CB-CB 4.03Å; A99-K107 HydrophobicContact CB-CG 4.33Å; G101-K107 PolarHBondContact O-NZ 3.37Å; P102-K107 VanDerWaalsContact C-NZ 3.34Å; P102-K107 PolarHBondContact O-NZ 3Å; K107-H109 VanDerWaalsContact C-N 3.29Å; K107-H109 PolarHBondContact O-N 2.84Å; K107-T110 WeakPolarHBondContact O-CA 3.41Å; K107-T110 WeakPolarHBondContact O-CB 3.48Å; K107-T110 PolarHBondContact O-N 3.1Å; K107-M111 PolarHBondContact O-N 3.45Å; K107-L248 WeakPolarHBondContact CE-O 3.47Å; K107-A249 VanDerWaalsContact CE-O 3.24Å; K107-A249 WeakPolarHBondContact CE-O 3.49Å; K107-A249 PolarHBondContact NZ-O 2.9Å; K107-N318 WeakPolarHBondContact CA-OD1 3.44Å; K107-N318 HydrophobicContact CG-CB 4.09Å
108T91.2Very high91.6Very high43 Ų4327.5 Ų27.526%0.26417%0.165SC..Hα-helixtrans-64.9-31.6-179.3-44.70000112.5T110 M111 L112 D247T108-T110 VanDerWaalsContact C-N 3.33Å; T108-M111 PolarHBondContact O-N 2.79Å; T108-L112 HydrophobicContact CG2-CD1 3.63Å; T108-L112 HydrophobicContact CG2-CG 4.05Å; T108-L112 WeakPolarHBondContact O-CB 3.44Å; T108-L112 PolarHBondContact O-N 3.13Å; T108-D247 WeakPolarHBondContact CA-OD1 3.38Å; T108-D247 PolarHBondContact N-OD1 2.9Å; T108-D247 VanDerWaalsContact N-OD1 3.15Å; T108-D247 PolarHBondContact OG1-OD1 2.76Å; T108-D247 VanDerWaalsContact OG1-OD1 3.12Å; T108-D247 PolarHBondContact OG1-OD2 3.27Å
109H93Very high91.7Very high82 Ų8227.4 Ų27.438%0.3817%0.165SC..Hα-helixtrans-63.9-37.2169.9174.2-98.8000112Q74 G106 K107 G113Q74-H109 PolarHBondContact NE2-O 2.87Å; Q74-H109 PolarHBondContact OE1-CE1 3.21Å; G106-H109 PolarHBondContact O-N 3.26Å; K107-H109 VanDerWaalsContact C-N 3.29Å; K107-H109 PolarHBondContact O-N 2.84Å; H109-G113 WeakPolarHBondContact O-CA 3.19Å; H109-G113 PolarHBondContact O-N 3.19Å
110T96.9Very high91.7Very high1 Ų127.5 Ų27.51%0.00617%0.165CC..Hα-helixtrans-72.8-38.7176.9-55.20000111.5R23 V77 G106 K107 T108 G119 V120 I316 N318R23-T110 PolarHBondContact NH1-OG1 2.79Å; V77-T110 HydrophobicContact CG1-CG2 4.22Å; G106-T110 WeakPolarHBondContact O-CB 3.32Å; G106-T110 PolarHBondContact O-N 3.34Å; G106-T110 PolarHBondContact O-OG1 3.28Å; K107-T110 WeakPolarHBondContact O-CA 3.41Å; K107-T110 WeakPolarHBondContact O-CB 3.48Å; K107-T110 PolarHBondContact O-N 3.1Å; T108-T110 VanDerWaalsContact C-N 3.33Å; T110-G119 WeakPolarHBondContact O-CA 3.43Å; T110-V120 HydrophobicContact CG2-CG2 4.24Å; T110-V120 WeakPolarHBondContact O-CG2 3.42Å; T110-V120 PolarHBondContact O-N 2.78Å; T110-I316 HydrophobicContact CG2-CD1 4.18Å; T110-I316 HydrophobicContact CG2-CG2 4.12Å; T110-N318 PolarHBondContact OG1-ND2 2.84Å
111M96.3Very high91.8Very high0 Ų027.1 Ų27.10%016%0.164CC..Hα-helixtrans-79.5-45.3-178.5-62.9-56.1-70.100113.5V97 A99 K107 T108 V120 I121 L245 D247V97-M111 HydrophobicContact CG1-SD 4.5Å; A99-M111 HydrophobicContact CB-CG 3.58Å; A99-M111 HydrophobicContact CB-SD 3.87Å; K107-M111 PolarHBondContact O-N 3.45Å; T108-M111 PolarHBondContact O-N 2.79Å; M111-V120 HydrophobicContact CE-CG1 4.36Å; M111-V120 PolarHBondContact O-N 2.97Å; M111-V120 HydrophobicContact SD-CB 4.21Å; M111-V120 HydrophobicContact SD-CG1 4.34Å; M111-I121 HydrophobicContact CB-CD1 4.02Å; M111-I121 HydrophobicContact CE-CD1 4.24Å; M111-I121 HydrophobicContact CE-CG1 4.1Å; M111-I121 VanDerWaalsContact O-CB 3.3Å; M111-I121 WeakPolarHBondContact O-CB 3.42Å; M111-I121 WeakPolarHBondContact O-CG1 3.27Å; M111-I121 PolarHBondContact O-N 2.78Å; M111-L245 HydrophobicContact CE-CB 4.05Å; M111-D247 HydrophobicContact CB-CB 4.26Å; M111-D247 HydrophobicContact CG-CB 4.09Å
112L92.6Very high91.8Very high40 Ų4027.9 Ų27.921%0.20917%0.169CC..THydrogen-bonded Turntrans-97.3-49.6-178.9-59.3-178.1000113.1T108 G119 I121 F198 T202T108-L112 HydrophobicContact CG2-CD1 3.63Å; T108-L112 HydrophobicContact CG2-CG 4.05Å; T108-L112 WeakPolarHBondContact O-CB 3.44Å; T108-L112 PolarHBondContact O-N 3.13Å; L112-G119 WeakPolarHBondContact O-CA 3.42Å; L112-G119 PolarHBondContact O-N 3.2Å; L112-I121 HydrophobicContact CD2-CD1 3.87Å; L112-F198 HydrophobicContact CD2-CE1 4.08Å; L112-F198 HydrophobicContact CD2-CZ 3.55Å; L112-T202 HydrophobicContact CD1-CG2 4.1Å
113G90.4Very high92.1Very high24 Ų2429.5 Ų29.525%0.24718%0.175CC..BIsolated β-bridgetrans80.6-164.5-172.800000114.9H109 Q117H109-G113 WeakPolarHBondContact O-CA 3.19Å; H109-G113 PolarHBondContact O-N 3.19Å; G113-Q117 VanDerWaalsContact CA-O 3.25Å; G113-Q117 WeakPolarHBondContact CA-O 3.27Å
114T86.1Confident92.6Very high48 Ų4827.8 Ų27.829%0.29416%0.164SC..  trans-103.9-174.5169.376.30000110.3E116 Q117 P118T114-E116 VanDerWaalsContact CB-OE2 3.3Å; T114-E116 WeakPolarHBondContact CB-OE2 3.28Å; T114-E116 PolarHBondContact OG1-N 3.1Å; T114-E116 PolarHBondContact OG1-OE2 3.09Å; T114-Q117 PolarHBondContact N-O 3.08Å; T114-Q117 CarbonylContact O-C 3.57Å; T114-Q117 PolarHBondContact OG1-N 3.45Å; T114-P118 WeakPolarHBondContact O-CA 3.26Å
115A80Confident93.1Very high15 Ų1525.9 Ų25.912%0.12414%0.144CC..SBendtrans-66-45.6175.900000112.3M406 L409A115-M406 HydrophobicContact CB-SD 4.48Å; A115-L409 HydrophobicContact CB-CB 3.46Å; A115-L409 VanDerWaalsContact CB-CB 3.46Å; A115-L409 HydrophobicContact CB-CD1 4.33Å; A115-L409 HydrophobicContact CB-CG 4.45Å
116E86Confident93.4Very high96 Ų9630.8 Ų30.845%0.44916%0.162SC..SBendtrans-76.8-36.5-179.1-45.866.3-145.900111.1T114 P118 M406T114-E116 VanDerWaalsContact CB-OE2 3.3Å; T114-E116 WeakPolarHBondContact CB-OE2 3.28Å; T114-E116 PolarHBondContact OG1-N 3.1Å; T114-E116 PolarHBondContact OG1-OE2 3.09Å; E116-P118 WeakPolarHBondContact O-CD 3.3Å; E116-M406 HydrophobicContact CG-CE 4.36Å
117Q89.6Confident93.6Very high84 Ų8431.1 Ų31.139%0.39316%0.159SC..SBendtrans-120.767-175.1-72.7-63.3-21.200110.2Q74 G113 T114Q74-Q117 HydrophobicContact CG-CB 3.86Å; Q74-Q117 WeakPolarHBondContact CG-O 3.12Å; Q74-Q117 PolarHBondContact NE2-O 3.09Å; G113-Q117 VanDerWaalsContact CA-O 3.25Å; G113-Q117 WeakPolarHBondContact CA-O 3.27Å; T114-Q117 PolarHBondContact N-O 3.08Å; T114-Q117 CarbonylContact O-C 3.57Å; T114-Q117 PolarHBondContact OG1-N 3.45Å
118P93.9Very high93.7Very high23 Ų2330.7 Ų30.715%0.14916%0.158CC..BIsolated β-bridgetrans-62.2144.8178.723.2-32.1000110.9Q74 T114 E116 P122 R123Q74-P118 VanDerWaalsContact CB-O 3.27Å; Q74-P118 WeakPolarHBondContact CB-O 3.38Å; T114-P118 WeakPolarHBondContact O-CA 3.26Å; E116-P118 WeakPolarHBondContact O-CD 3.3Å; P118-P122 HydrophobicContact CB-CB 4.32Å; P118-P122 HydrophobicContact CB-CG 3.64Å; P118-R123 PolarHBondContact O-NE 2.92Å; P118-R123 PolarHBondContact O-NH2 3.39Å
119G96.4Very high93.9Very high0 Ų029.8 Ų29.80%015%0.15CC..  trans-90-160.5-173.200000114.4T110 L112 I121 P122 R123T110-G119 WeakPolarHBondContact O-CA 3.43Å; L112-G119 WeakPolarHBondContact O-CA 3.42Å; L112-G119 PolarHBondContact O-N 3.2Å; G119-I121 PolarHBondContact O-N 2.83Å; G119-P122 WeakPolarHBondContact O-CD 3.34Å; G119-R123 WeakPolarHBondContact O-CG 3.42Å; G119-R123 PolarHBondContact O-N 2.83Å
120V98.2Very high94Very high2 Ų230 Ų301%0.01215%0.154CC..Hα-helixtrans-59.5-42.4-176.9167.20000112.8V82 V97 T110 M111 A124 L245 I316V82-V120 HydrophobicContact CG1-CG1 4.15Å; V82-V120 HydrophobicContact CG2-CG1 3.94Å; V82-V120 HydrophobicContact CG2-CG2 4.09Å; V97-V120 HydrophobicContact CG1-CG1 4.21Å; T110-V120 HydrophobicContact CG2-CG2 4.24Å; T110-V120 WeakPolarHBondContact O-CG2 3.42Å; T110-V120 PolarHBondContact O-N 2.78Å; M111-V120 HydrophobicContact CE-CG1 4.36Å; M111-V120 PolarHBondContact O-N 2.97Å; M111-V120 HydrophobicContact SD-CB 4.21Å; M111-V120 HydrophobicContact SD-CG1 4.34Å; V120-A124 WeakPolarHBondContact O-CB 3.49Å; V120-A124 PolarHBondContact O-N 3.16Å; V120-L245 HydrophobicContact CG1-CD2 4.21Å; V120-I316 HydrophobicContact CG2-CD1 4.19Å
121I97.4Very high93.9Very high5 Ų531.8 Ų31.83%0.02616%0.163CC..Hα-helixtrans-61.6-61.2-175.6-71.8164.6000112.3M111 L112 G119 R123 A124 V125 F194 F198 L223 L245M111-I121 HydrophobicContact CB-CD1 4.02Å; M111-I121 HydrophobicContact CE-CD1 4.24Å; M111-I121 HydrophobicContact CE-CG1 4.1Å; M111-I121 VanDerWaalsContact O-CB 3.3Å; M111-I121 WeakPolarHBondContact O-CB 3.42Å; M111-I121 WeakPolarHBondContact O-CG1 3.27Å; M111-I121 PolarHBondContact O-N 2.78Å; L112-I121 HydrophobicContact CD2-CD1 3.87Å; G119-I121 PolarHBondContact O-N 2.83Å; I121-R123 VanDerWaalsContact C-N 3.28Å; I121-R123 PolarHBondContact O-N 3.29Å; I121-A124 PolarHBondContact O-N 3.37Å; I121-V125 WeakPolarHBondContact O-CG2 3.4Å; I121-V125 PolarHBondContact O-N 2.63Å; I121-F194 HydrophobicContact CG2-CZ 3.94Å; I121-F198 HydrophobicContact CD1-CZ 4.4Å; I121-F198 HydrophobicContact CG2-CE1 4.13Å; I121-F198 HydrophobicContact CG2-CE2 4.06Å; I121-F198 HydrophobicContact CG2-CZ 3.65Å; I121-L223 HydrophobicContact CG1-CD2 4.44Å; I121-L223 HydrophobicContact CG2-CD2 3.47Å; I121-L223 VanDerWaalsContact CG2-CD2 3.47Å; I121-L245 HydrophobicContact CB-CD1 4.49Å; I121-L245 HydrophobicContact CG1-CB 3.97Å; I121-L245 HydrophobicContact CG1-CD1 4.05Å
122P96.1Very high93.7Very high15 Ų1532.4 Ų32.410%0.09717%0.167CC..Hα-helixtrans-61.7-34.7-179.523-34.7000112.7P118 G119 R126 F191P118-P122 HydrophobicContact CB-CB 4.32Å; P118-P122 HydrophobicContact CB-CG 3.64Å; G119-P122 WeakPolarHBondContact O-CD 3.34Å; P122-R126 VanDerWaalsContact O-CB 3.29Å; P122-R126 WeakPolarHBondContact O-CB 3.46Å; P122-R126 PolarHBondContact O-N 2.97Å; P122-R126 VanDerWaalsContact O-N 3.13Å; P122-F191 HydrophobicContact CB-CE2 4.31Å; P122-F191 HydrophobicContact CB-CZ 4Å; P122-F191 VanDerWaalsContact O-CE2 3.29Å; P122-F191 WeakPolarHBondContact O-CE2 3.39Å
123R97.7Very high93.6Very high36 Ų3634.2 Ų34.214%0.13618%0.183CC..Hα-helixtrans-68.5-43.2175.7-66.1-177.8-161.4-92.8-6.6112.2F78 P118 G119 I121 R126 E127F78-R123 HydrophobicContact CB-CB 4.41Å; F78-R123 HydrophobicContact CD1-CB 3.82Å; F78-R123 HydrophobicContact CD1-CG 4.48Å; F78-R123 HydrophobicContact CD2-CB 3.65Å; F78-R123 HydrophobicContact CE1-CB 3.96Å; F78-R123 HydrophobicContact CE2-CB 3.82Å; F78-R123 HydrophobicContact CG-CB 3.66Å; F78-R123 HydrophobicContact CG-CG 4.4Å; F78-R123 HydrophobicContact CZ-CB 3.97Å; P118-R123 PolarHBondContact O-NE 2.92Å; P118-R123 PolarHBondContact O-NH2 3.39Å; G119-R123 WeakPolarHBondContact O-CG 3.42Å; G119-R123 PolarHBondContact O-N 2.83Å; I121-R123 VanDerWaalsContact C-N 3.28Å; I121-R123 PolarHBondContact O-N 3.29Å; R123-R126 PolarHBondContact O-N 3.16Å; R123-E127 VanDerWaalsContact O-CB 3.26Å; R123-E127 WeakPolarHBondContact O-CB 3.5Å; R123-E127 PolarHBondContact O-N 2.99Å
124A98Very high93.4Very high0 Ų036.3 Ų36.30%020%0.198CC..Hα-helixtrans-67.1-41.1179.200000112.6F78 V82 L86 V120 I121 E127 V128 L243 L245F78-A124 HydrophobicContact CE2-CB 3.93Å; V82-A124 HydrophobicContact CG1-CB 4.43Å; L86-A124 HydrophobicContact CD1-CB 4.27Å; L86-A124 HydrophobicContact CD2-CB 4.38Å; V120-A124 WeakPolarHBondContact O-CB 3.49Å; V120-A124 PolarHBondContact O-N 3.16Å; I121-A124 PolarHBondContact O-N 3.37Å; A124-E127 PolarHBondContact O-N 3.26Å; A124-V128 WeakPolarHBondContact O-CB 3.12Å; A124-V128 VanDerWaalsContact O-CG2 3.3Å; A124-V128 WeakPolarHBondContact O-CG2 3.32Å; A124-V128 PolarHBondContact O-N 2.94Å; A124-L243 HydrophobicContact CB-CD2 4.31Å; A124-L245 HydrophobicContact CB-CD1 4.29Å; A124-L245 HydrophobicContact CB-CD2 4.41Å
125V97.3Very high93.2Very high2 Ų237.2 Ų37.21%0.01220%0.198CC..Hα-helixtrans-64.8-45.8176.5175.50000110.7I121 E127 V128 F129 F191 F194 I225I121-V125 WeakPolarHBondContact O-CG2 3.4Å; I121-V125 PolarHBondContact O-N 2.63Å; V125-E127 PolarHBondContact O-N 3.14Å; V125-V128 PolarHBondContact O-N 3.15Å; V125-F129 HydrophobicContact CG1-CD2 3.97Å; V125-F129 HydrophobicContact CG1-CE2 3.77Å; V125-F129 VanDerWaalsContact O-CD2 3.31Å; V125-F129 WeakPolarHBondContact O-CD2 3.5Å; V125-F129 PolarHBondContact O-N 2.81Å; V125-F191 HydrophobicContact CB-CE2 4.42Å; V125-F191 HydrophobicContact CG1-CD2 4.18Å; V125-F191 HydrophobicContact CG1-CE2 4.43Å; V125-F194 HydrophobicContact CB-CE1 4.47Å; V125-F194 HydrophobicContact CG1-CB 4.13Å; V125-F194 HydrophobicContact CG1-CD1 3.99Å; V125-F194 HydrophobicContact CG1-CD2 3.92Å; V125-F194 HydrophobicContact CG1-CE1 4.4Å; V125-F194 HydrophobicContact CG1-CE2 4.35Å; V125-F194 HydrophobicContact CG1-CG 3.73Å; V125-F194 HydrophobicContact CG2-CD2 4.23Å; V125-F194 HydrophobicContact CG2-CE1 4.27Å; V125-F194 HydrophobicContact CG2-CE2 3.84Å; V125-F194 HydrophobicContact CG2-CZ 3.86Å; V125-I225 HydrophobicContact CG2-CD1 3.99Å; V125-I225 HydrophobicContact CG2-CG1 4.04Å
126R96.5Very high92.5Very high104 Ų10440.7 Ų40.739%0.39221%0.214SC..Hα-helixtrans-61-44.5176.6-168.7176.6-58.8155.24.3112.3P122 R123 V128 F129 N130 F191P122-R126 VanDerWaalsContact O-CB 3.29Å; P122-R126 WeakPolarHBondContact O-CB 3.46Å; P122-R126 PolarHBondContact O-N 2.97Å; P122-R126 VanDerWaalsContact O-N 3.13Å; R123-R126 PolarHBondContact O-N 3.16Å; R126-V128 VanDerWaalsContact C-N 3.34Å; R126-V128 PolarHBondContact O-N 2.8Å; R126-F129 PolarHBondContact O-N 3.31Å; R126-N130 PolarHBondContact O-N 3.19Å; R126-N130 PolarHBondContact O-OD1 2.85Å; R126-F191 HydrophobicContact CB-CD2 3.78Å; R126-F191 HydrophobicContact CB-CE2 3.97Å; R126-F191 HydrophobicContact CG-CD2 4.31Å
127E97.4Very high91.4Very high24 Ų2444 Ų4411%0.11223%0.23CC..Hα-helixtrans-65.1-35176.5-176.169.5-167.900112.2F78 K83 L86 R123 A124 V125 N130 L131F78-E127 HydrophobicContact CE1-CB 4.35Å; F78-E127 HydrophobicContact CZ-CB 3.74Å; F78-E127 HydrophobicContact CZ-CG 4.03Å; K83-E127 HydrophobicContact CD-CG 4.49Å; K83-E127 WeakPolarHBondContact CE-OE1 3.41Å; K83-E127 HydrophobicContact CG-CG 4.4Å; K83-E127 IonicContact NZ-OE1 3.82Å; K83-E127 PolarHBondContact NZ-OE1 3.42Å; K83-E127 IonicContact NZ-OE2 3.65Å; K83-E127 PolarHBondContact NZ-OE2 2.84Å; K83-E127 VanDerWaalsContact NZ-OE2 3.09Å; L86-E127 HydrophobicContact CD1-CB 3.87Å; L86-E127 HydrophobicContact CD1-CG 3.66Å; R123-E127 VanDerWaalsContact O-CB 3.26Å; R123-E127 WeakPolarHBondContact O-CB 3.5Å; R123-E127 PolarHBondContact O-N 2.99Å; A124-E127 PolarHBondContact O-N 3.26Å; V125-E127 PolarHBondContact O-N 3.14Å; E127-N130 PolarHBondContact O-N 3.32Å; E127-L131 HydrophobicContact CG-CD1 4.05Å; E127-L131 HydrophobicContact CG-CG 4.36Å; E127-L131 VanDerWaalsContact O-CB 3.31Å; E127-L131 WeakPolarHBondContact O-CB 3.4Å; E127-L131 WeakPolarHBondContact O-CG 3.33Å; E127-L131 PolarHBondContact O-N 3.24Å
128V96.9Very high90.1Very high1 Ų143 Ų431%0.00623%0.227CC..Hα-helixtrans-65.1-40.1172.8166.10000111.7L86 I89 A124 V125 R126 V132 I145 V227 L243L86-V128 HydrophobicContact CD2-CG2 4.44Å; I89-V128 HydrophobicContact CD1-CG2 3.96Å; A124-V128 WeakPolarHBondContact O-CB 3.12Å; A124-V128 VanDerWaalsContact O-CG2 3.3Å; A124-V128 WeakPolarHBondContact O-CG2 3.32Å; A124-V128 PolarHBondContact O-N 2.94Å; V125-V128 PolarHBondContact O-N 3.15Å; R126-V128 VanDerWaalsContact C-N 3.34Å; R126-V128 PolarHBondContact O-N 2.8Å; V128-V132 WeakPolarHBondContact O-CG2 3.48Å; V128-V132 PolarHBondContact O-N 3.29Å; V128-V132 VanDerWaalsContact O-N 3.1Å; V128-I145 HydrophobicContact CG1-CD1 4.29Å; V128-V227 HydrophobicContact CG1-CG2 3.78Å; V128-L243 HydrophobicContact CG2-CD2 4.36Å
129F96.1Very high88.7Confident24 Ų2450.6 Ų50.611%0.10526%0.261CS..Hα-helixtrans-62.4-49.6170.8-80.7-71.8000111.4V125 R126 L131 V132 S133 I145 I188 S190 F191V125-F129 HydrophobicContact CG1-CD2 3.97Å; V125-F129 HydrophobicContact CG1-CE2 3.77Å; V125-F129 VanDerWaalsContact O-CD2 3.31Å; V125-F129 WeakPolarHBondContact O-CD2 3.5Å; V125-F129 PolarHBondContact O-N 2.81Å; R126-F129 PolarHBondContact O-N 3.31Å; F129-L131 VanDerWaalsContact C-N 3.33Å; F129-L131 PolarHBondContact O-N 2.86Å; F129-V132 PolarHBondContact O-N 2.81Å; F129-S133 PolarHBondContact O-N 2.95Å; F129-S133 PolarHBondContact O-OG 2.98Å; F129-I145 HydrophobicContact CD1-CD1 3.66Å; F129-I145 HydrophobicContact CE1-CD1 3.64Å; F129-I145 HydrophobicContact CG-CD1 4.32Å; F129-I145 HydrophobicContact CZ-CD1 4.28Å; F129-I188 HydrophobicContact CE2-CD1 4.19Å; F129-I188 HydrophobicContact CZ-CB 4.29Å; F129-I188 HydrophobicContact CZ-CD1 4.02Å; F129-I188 HydrophobicContact CZ-CG1 4.09Å; F129-S190 VanDerWaalsContact CE2-C 3.48Å; F129-S190 WeakPolarHBondContact CZ-O 3.25Å; F129-F191 HydrophobicContact CD2-CB 4.45Å
130N94.8Very high88.1Confident87 Ų8752 Ų5247%0.46528%0.275SS..Hα-helixtrans-55.2-45.9177.8-63.9-10000112.3R126 E127 V132 S133 A134R126-N130 PolarHBondContact O-N 3.19Å; R126-N130 PolarHBondContact O-OD1 2.85Å; E127-N130 PolarHBondContact O-N 3.32Å; N130-V132 VanDerWaalsContact C-N 3.29Å; N130-V132 PolarHBondContact O-N 3.41Å; N130-S133 PolarHBondContact O-N 3.43Å; N130-A134 WeakPolarHBondContact O-CB 3.19Å; N130-A134 PolarHBondContact O-N 2.98Å
131L93.6Very high87.7Confident37 Ų3754.1 Ų54.119%0.19428%0.283CS..Hα-helixtrans-66.7-28.3179-74.3170.4000112.8L86 P87 L90 E127 F129 K135L86-L131 HydrophobicContact CB-CD1 3.91Å; P87-L131 HydrophobicContact CG-CD1 4.24Å; L90-L131 HydrophobicContact CD1-CB 4.07Å; L90-L131 HydrophobicContact CD1-CD1 4.37Å; L90-L131 HydrophobicContact CD2-CB 3.84Å; L90-L131 WeakPolarHBondContact CD2-O 3.18Å; E127-L131 HydrophobicContact CG-CD1 4.05Å; E127-L131 HydrophobicContact CG-CG 4.36Å; E127-L131 VanDerWaalsContact O-CB 3.31Å; E127-L131 WeakPolarHBondContact O-CB 3.4Å; E127-L131 WeakPolarHBondContact O-CG 3.33Å; E127-L131 PolarHBondContact O-N 3.24Å; F129-L131 VanDerWaalsContact C-N 3.33Å; F129-L131 PolarHBondContact O-N 2.86Å; L131-K135 WeakPolarHBondContact O-CB 3.3Å; L131-K135 WeakPolarHBondContact O-CG 3.22Å
132V92.3Very high87.4Confident13 Ų1357.5 Ų57.58%0.07930%0.301CS..Hα-helixtrans-78.7-45.5175.1164.50000110.6L90 V128 F129 N130 A134 K135 D136 Y143 I145 V227L90-V132 HydrophobicContact CD2-CG2 3.82Å; L90-V132 HydrophobicContact CG-CG2 4.05Å; V128-V132 WeakPolarHBondContact O-CG2 3.48Å; V128-V132 PolarHBondContact O-N 3.29Å; V128-V132 VanDerWaalsContact O-N 3.1Å; F129-V132 PolarHBondContact O-N 2.81Å; N130-V132 VanDerWaalsContact C-N 3.29Å; N130-V132 PolarHBondContact O-N 3.41Å; V132-A134 VanDerWaalsContact C-N 3.34Å; V132-A134 PolarHBondContact O-N 3.02Å; V132-K135 CarbonylContact O-C 3.47Å; V132-K135 WeakPolarHBondContact O-CA 3.3Å; V132-K135 PolarHBondContact O-N 2.82Å; V132-D136 PolarHBondContact O-N 2.94Å; V132-Y143 VanDerWaalsContact CG1-CB 3.49Å; V132-Y143 HydrophobicContact CG1-CD1 4.3Å; V132-Y143 HydrophobicContact CG1-CD2 4.29Å; V132-Y143 HydrophobicContact CG1-CG 3.79Å; V132-Y143 HydrophobicContact CG2-CD1 3.94Å; V132-Y143 HydrophobicContact CG2-CG 4.29Å; V132-I145 HydrophobicContact CB-CD1 4.38Å; V132-I145 HydrophobicContact CG1-CD1 4.47Å; V132-I145 HydrophobicContact CG2-CD1 4.13Å; V132-V227 HydrophobicContact CG2-CG1 4.4Å
133S90.1Very high87.2Confident79 Ų7958.5 Ų58.555%0.55230%0.303SS*.Hα-helixtrans-60-43.5175.8-60.60000111.9F129 N130 K135 D136F129-S133 PolarHBondContact O-N 2.95Å; F129-S133 PolarHBondContact O-OG 2.98Å; N130-S133 PolarHBondContact O-N 3.43Å; S133-K135 PolarHBondContact O-N 2.79Å; S133-D136 PolarHBondContact O-N 2.8Å
134A87.8Confident87.1Confident68 Ų6860 Ų6056%0.56232%0.319SS*.Hα-helixtrans-71.28.2172.900000114.4N130 V132N130-A134 WeakPolarHBondContact O-CB 3.19Å; N130-A134 PolarHBondContact O-N 2.98Å; V132-A134 VanDerWaalsContact C-N 3.34Å; V132-A134 PolarHBondContact O-N 3.02Å
135K80.3Confident87Confident67 Ų6760.7 Ų60.729%0.29132%0.323SS..Hα-helixtrans-130.81.5173.2-76.7-152.7150.8-62.50114.4L90 L131 V132 S133 E137 D138 Y143L90-K135 HydrophobicContact CD2-CD 4.14Å; L131-K135 WeakPolarHBondContact O-CB 3.3Å; L131-K135 WeakPolarHBondContact O-CG 3.22Å; V132-K135 CarbonylContact O-C 3.47Å; V132-K135 WeakPolarHBondContact O-CA 3.3Å; V132-K135 PolarHBondContact O-N 2.82Å; S133-K135 PolarHBondContact O-N 2.79Å; K135-E137 PolarHBondContact O-N 3.44Å; K135-D138 WeakPolarHBondContact CD-OD2 3.48Å; K135-D138 VanDerWaalsContact NZ-CG 3.31Å; K135-D138 IonicContact NZ-OD1 3.96Å; K135-D138 PolarHBondContact NZ-OD1 2.82Å; K135-D138 IonicContact NZ-OD2 3.07Å; K135-D138 PolarHBondContact NZ-OD2 3.33Å; K135-D138 WeakPolarHBondContact O-CB 3.29Å; K135-D138 PolarHBondContact O-N 2.63Å; K135-D138 VanDerWaalsContact O-N 3.1Å; K135-Y143 HydrophobicContact CB-CE2 4.15Å
136D65.7Low87Confident87 Ų8760.7 Ų60.747%0.46532%0.323SS..Hα-helixtrans-69.9-21.6166.4-130.2-23.5000110.7V132 S133 D138 R232V132-D136 PolarHBondContact O-N 2.94Å; S133-D136 PolarHBondContact O-N 2.8Å; D136-D138 VanDerWaalsContact C-N 3.28Å; D136-D138 PolarHBondContact O-N 3Å; D136-R232 IonicContact OD1-NH2 2.62Å; D136-R232 PolarHBondContact OD1-NH2 3.22Å
137E62.7Low87.1Confident166 Ų16655.7 Ų55.778%0.77630%0.304SS*.THydrogen-bonded Turntrans-69.1-14.7167.5-61.4176.7-17300113.5K135 E139K135-E137 PolarHBondContact O-N 3.44Å; E137-E139 PolarHBondContact O-N 3.29Å; E137-E139 VanDerWaalsContact O-N 3.17Å
138D63.8Low87Confident63 Ų6354.9 Ų54.934%0.33730%0.301SS..SBendtrans-73.7102.6166.3-72.6-36.1000108.2K135 D136 G140K135-D138 WeakPolarHBondContact CD-OD2 3.48Å; K135-D138 VanDerWaalsContact NZ-CG 3.31Å; K135-D138 IonicContact NZ-OD1 3.96Å; K135-D138 PolarHBondContact NZ-OD1 2.82Å; K135-D138 IonicContact NZ-OD2 3.07Å; K135-D138 PolarHBondContact NZ-OD2 3.33Å; K135-D138 WeakPolarHBondContact O-CB 3.29Å; K135-D138 PolarHBondContact O-N 2.63Å; K135-D138 VanDerWaalsContact O-N 3.1Å; D136-D138 VanDerWaalsContact C-N 3.28Å; D136-D138 PolarHBondContact O-N 3Å; D138-G140 PolarHBondContact O-N 3.11Å
139E64.3Low87Confident183 Ų18355 Ų5586%0.85530%0.302SS*.THydrogen-bonded Turntrans-52.1-14.9-167.7-62.3-168.413700117.3E137 R232E137-E139 PolarHBondContact O-N 3.29Å; E137-E139 VanDerWaalsContact O-N 3.17Å; E139-R232 WeakPolarHBondContact O-CD 3.42Å; E139-R232 PolarHBondContact O-NH1 3.42Å
140G83.7Confident86.9Confident29 Ų2954.2 Ų54.230%0.29930%0.298SS..THydrogen-bonded Turntrans-101.1-5.4-169.800000119D138 Q231 R232D138-G140 PolarHBondContact O-N 3.11Å; G140-Q231 WeakPolarHBondContact O-CA 3.41Å; G140-R232 PolarHBondContact O-N 3.35Å
141W89.3Confident86.7Confident46 Ų4650.2 Ų50.217%0.17428%0.277CS..EExtended strand (participates in β ladder)trans-138.9132.1-168.1-64.784.9000114.9Y143 R229 T230 Q231 R232 R237 Q239W141-Y143 HydrophobicContact CB-CE2 4.12Å; W141-R229 HydrophobicContact CD2-CG 4.31Å; W141-R229 HydrophobicContact CE3-CB 3.91Å; W141-R229 HydrophobicContact CE3-CG 3.54Å; W141-R229 HydrophobicContact CZ3-CG 3.83Å; W141-T230 WeakPolarHBondContact CA-O 3.19Å; W141-T230 VanDerWaalsContact CE3-C 3.5Å; W141-Q231 HydrophobicContact CD2-CB 4.3Å; W141-Q231 HydrophobicContact CE3-CB 4.05Å; W141-Q231 HydrophobicContact CH2-CB 4.05Å; W141-Q231 HydrophobicContact CZ2-CB 4.28Å; W141-Q231 HydrophobicContact CZ2-CG 4.33Å; W141-Q231 HydrophobicContact CZ3-CB 3.93Å; W141-R232 PolarHBondContact O-NH2 2.97Å; W141-R237 HydrophobicContact CH2-CB 3.96Å; W141-R237 HydrophobicContact CZ3-CB 4.43Å; W141-R237 WeakPolarHBondContact CZ3-O 3.46Å; W141-Q239 HydrophobicContact CH2-CG 4.43Å; W141-Q239 HydrophobicContact CZ3-CG 4.48Å
142D90.6Very high86.6Confident76 Ų7648.6 Ų48.641%0.40627%0.268SS..EExtended strand (participates in β ladder)trans-94.6137170.7-56.5-50.1000111.1R229 T230 R232D142-R229 CarbonylContact O-C 3.59Å; D142-R229 VanDerWaalsContact O-CA 3.25Å; D142-R229 WeakPolarHBondContact O-CA 3.48Å; D142-T230 PolarHBondContact N-O 2.73Å; D142-T230 PolarHBondContact O-N 3.36Å; D142-R232 IonicContact OD1-CZ 3.33Å; D142-R232 IonicContact OD1-NE 3.02Å; D142-R232 PolarHBondContact OD1-NE 2.88Å; D142-R232 IonicContact OD1-NH2 3.24Å; D142-R232 PolarHBondContact OD1-NH2 2.98Å; D142-R232 VanDerWaalsContact OD2-CG 3.3Å; D142-R232 WeakPolarHBondContact OD2-CG 3.37Å; D142-R232 IonicContact OD2-NE 3.06Å
143Y92.9Very high86.4Confident36 Ų3650.4 Ų50.414%0.14127%0.274CS..EExtended strand (participates in β ladder)trans-108.9141.6-178.7-69.8-94.7000112.6L90 V132 K135 W141 V227 V228 R229L90-Y143 HydrophobicContact CB-CE1 4.29Å; L90-Y143 HydrophobicContact CD2-CE1 4.28Å; L90-Y143 HydrophobicContact CG-CE1 4.3Å; V132-Y143 VanDerWaalsContact CG1-CB 3.49Å; V132-Y143 HydrophobicContact CG1-CD1 4.3Å; V132-Y143 HydrophobicContact CG1-CD2 4.29Å; V132-Y143 HydrophobicContact CG1-CG 3.79Å; V132-Y143 HydrophobicContact CG2-CD1 3.94Å; V132-Y143 HydrophobicContact CG2-CG 4.29Å; K135-Y143 HydrophobicContact CB-CE2 4.15Å; W141-Y143 HydrophobicContact CB-CE2 4.12Å; Y143-V227 HydrophobicContact CD1-CG1 4.12Å; Y143-V228 CarbonylContact C-O 3.52Å; Y143-V228 WeakPolarHBondContact CA-O 3.42Å; Y143-R229 HydrophobicContact CD1-CB 3.73Å; Y143-R229 HydrophobicContact CE1-CB 3.61Å; Y143-R229 HydrophobicContact CE1-CG 4.31Å; Y143-R229 HydrophobicContact CG-CB 4.33Å
144S94.5Very high86.1Confident69 Ų6950.3 Ų50.348%0.48327%0.267SS..EExtended strand (participates in β ladder)trans-136.3127.8174.3-178.40000110.2V228S144-V228 PolarHBondContact N-O 2.78Å; S144-V228 PolarHBondContact O-N 2.98Å
145I97.1Very high86.2Confident13 Ų1349 Ų497%0.06725%0.25CC..EExtended strand (participates in β ladder)trans-112.8137.1-177.7-52172.5000109.1V128 F129 V132 I188 I225 K226V128-I145 HydrophobicContact CG1-CD1 4.29Å; F129-I145 HydrophobicContact CD1-CD1 3.66Å; F129-I145 HydrophobicContact CE1-CD1 3.64Å; F129-I145 HydrophobicContact CG-CD1 4.32Å; F129-I145 HydrophobicContact CZ-CD1 4.28Å; V132-I145 HydrophobicContact CB-CD1 4.38Å; V132-I145 HydrophobicContact CG1-CD1 4.47Å; V132-I145 HydrophobicContact CG2-CD1 4.13Å; I145-I188 HydrophobicContact CB-CG1 4.26Å; I145-I188 HydrophobicContact CG2-CD1 3.9Å; I145-I188 HydrophobicContact CG2-CG1 3.8Å; I145-I188 PolarHBondContact O-N 3.45Å; I145-I225 HydrophobicContact CG2-CG2 3.85Å; I145-K226 WeakPolarHBondContact CA-O 3.4Å
146G97.5Very high86.7Confident2 Ų251 Ų512%0.02126%0.258CS..EExtended strand (participates in β ladder)trans-141.2157.2173.600000112.6T186 K226G146-T186 CarbonylContact C-O 3.59Å; G146-T186 WeakPolarHBondContact CA-O 3.34Å; G146-K226 PolarHBondContact N-O 3.28Å; G146-K226 PolarHBondContact O-N 2.95Å
147M97.4Very high88Confident0 Ų046.9 Ų46.90%024%0.236CC..EExtended strand (participates in β ladder)trans-124.6146.4179.666.1-178.9-70.500112.7L161 H185 T186 I188 F194 H197 F198 L223 L224 I225M147-L161 HydrophobicContact CE-CD2 4.06Å; M147-H185 WeakPolarHBondContact O-CA 3.22Å; M147-T186 PolarHBondContact N-O 2.84Å; M147-T186 PolarHBondContact O-N 3.42Å; M147-I188 HydrophobicContact CB-CD1 4.18Å; M147-I188 HydrophobicContact CG-CD1 4.38Å; M147-I188 HydrophobicContact CG-CG2 3.91Å; M147-I188 HydrophobicContact SD-CD1 4.35Å; M147-I188 HydrophobicContact SD-CG2 3.66Å; M147-F194 HydrophobicContact CE-CD2 3.9Å; M147-F194 HydrophobicContact CE-CE2 3.86Å; M147-F194 HydrophobicContact SD-CD2 3.66Å; M147-F194 HydrophobicContact SD-CE2 4.23Å; M147-H197 HydrophobicContact CE-CB 4.13Å; M147-H197 HydrophobicContact SD-CB 3.89Å; M147-F198 HydrophobicContact CE-CB 4.29Å; M147-L223 HydrophobicContact CB-CD1 4.46Å; M147-L223 HydrophobicContact CE-CD1 4.06Å; M147-L224 WeakPolarHBondContact CA-O 3.36Å; M147-I225 HydrophobicContact CB-CD1 3.88Å
148S96.4Very high89.3Confident7 Ų740.7 Ų40.75%0.04921%0.209CC..EExtended strand (participates in β ladder)trans-134.9137.5164.8-64.80000108.3T184 L224S148-T184 VanDerWaalsContact CB-O 3.24Å; S148-T184 WeakPolarHBondContact CB-O 3.27Å; S148-T184 PolarHBondContact OG-O 3.12Å; S148-L224 PolarHBondContact N-O 3.13Å; S148-L224 PolarHBondContact O-N 3.18Å
149Y95.6Very high90.7Very high4 Ų437.9 Ų37.92%0.01619%0.193CC..EExtended strand (participates in β ladder)trans-132.4124.3-178.1-170.2-158.7000110.1L160 F198 A201 T202 A221 L223Y149-L160 HydrophobicContact CD1-CB 3.96Å; Y149-L160 HydrophobicContact CD1-CD1 3.92Å; Y149-L160 HydrophobicContact CD2-CD1 3.86Å; Y149-L160 HydrophobicContact CE1-CB 4.47Å; Y149-L160 HydrophobicContact CE1-CD1 3.8Å; Y149-L160 HydrophobicContact CE2-CD1 3.75Å; Y149-L160 HydrophobicContact CG-CB 4.15Å; Y149-L160 HydrophobicContact CG-CD1 3.95Å; Y149-L160 PolarHBondContact O-N 3.15Å; Y149-F198 HydrophobicContact CD1-CD2 4.05Å; Y149-F198 HydrophobicContact CD1-CE2 4.19Å; Y149-F198 AromaticContact CE1-CD2 3.85Å; Y149-F198 HydrophobicContact CE1-CD2 3.85Å; Y149-F198 AromaticContact CE1-CE2 3.63Å; Y149-F198 HydrophobicContact CE1-CE2 3.63Å; Y149-F198 HydrophobicContact CE2-CE2 4.45Å; Y149-F198 AromaticContact CZ-CE2 3.78Å; Y149-A201 HydrophobicContact CD1-CB 3.63Å; Y149-A201 HydrophobicContact CE1-CB 4.06Å; Y149-T202 WeakPolarHBondContact CE1-OG1 3.24Å; Y149-T202 PolarHBondContact OH-OG1 3.08Å; Y149-A221 HydrophobicContact CE2-CB 4.07Å; Y149-L223 HydrophobicContact CD2-CB 3.81Å; Y149-L223 HydrophobicContact CD2-CD1 4.32Å; Y149-L223 HydrophobicContact CE2-CB 4.13Å; Y149-L223 HydrophobicContact CG-CD1 4.21Å
150L93.8Very high92Very high7 Ų729.5 Ų29.54%0.03716%0.155CC..EExtended strand (participates in β ladder)trans-135160.6-174.669.882.7000112.7I152 V157 L158 I180 L183 A221 I222 L302L150-I152 HydrophobicContact CD1-CG1 4.08Å; L150-V157 HydrophobicContact CB-CG1 4.44Å; L150-V157 HydrophobicContact CD1-CG1 4.31Å; L150-V157 HydrophobicContact CD2-CG1 4.19Å; L150-L158 CarbonylContact C-O 3.31Å; L150-L158 VanDerWaalsContact CA-O 3.24Å; L150-L158 WeakPolarHBondContact CA-O 3.43Å; L150-L158 WeakPolarHBondContact CB-O 3.46Å; L150-I180 HydrophobicContact CD2-CD1 3.47Å; L150-I180 VanDerWaalsContact CD2-CD1 3.47Å; L150-L183 HydrophobicContact CB-CD1 4.01Å; L150-L183 HydrophobicContact CD2-CD1 4.27Å; L150-L183 HydrophobicContact CD2-CD2 3.88Å; L150-A221 WeakPolarHBondContact O-CA 3.12Å; L150-I222 HydrophobicContact CD1-CB 3.86Å; L150-I222 HydrophobicContact CD1-CD1 4.22Å; L150-I222 HydrophobicContact CD1-CG1 4.27Å; L150-I222 HydrophobicContact CG-CB 4.09Å; L150-I222 PolarHBondContact N-O 2.83Å; L150-I222 PolarHBondContact O-N 2.79Å; L150-L302 HydrophobicContact CD1-CD1 4.1Å; L150-L302 HydrophobicContact CD2-CD1 4.12Å
151E91.9Very high92.4Very high2 Ų229.9 Ų29.91%0.00915%0.149CC..EExtended strand (participates in β ladder)trans-120.6134.2173.2-173.8-173.5-137.400110.1V157 L158 L160 R215 S219 H220E151-V157 WeakPolarHBondContact O-CA 3.49Å; E151-L158 PolarHBondContact N-O 3.24Å; E151-L158 PolarHBondContact O-N 2.83Å; E151-L160 HydrophobicContact CB-CD1 4.16Å; E151-L160 HydrophobicContact CB-CD2 4Å; E151-L160 HydrophobicContact CB-CG 4.09Å; E151-R215 IonicContact OE1-CZ 2.7Å; E151-R215 IonicContact OE1-NE 2.9Å; E151-R215 PolarHBondContact OE1-NE 2.85Å; E151-R215 IonicContact OE1-NH2 2.77Å; E151-R215 IonicContact OE2-CZ 3.31Å; E151-R215 VanDerWaalsContact OE2-CZ 3.28Å; E151-R215 IonicContact OE2-NE 2.76Å; E151-R215 PolarHBondContact OE2-NE 2.91Å; E151-R215 VanDerWaalsContact OE2-NE 3.07Å; E151-R215 IonicContact OE2-NH2 3.48Å; E151-R215 PolarHBondContact OE2-NH2 2.71Å; E151-S219 VanDerWaalsContact CG-CB 3.5Å; E151-S219 WeakPolarHBondContact OE1-CB 3.26Å; E151-S219 PolarHBondContact OE1-OG 3.43Å; E151-H220 CarbonylContact C-O 3.57Å; E151-H220 WeakPolarHBondContact CA-O 3.46Å
152I91.6Very high92.3Very high3 Ų330 Ų302%0.01516%0.157CC..EExtended strand (participates in β ladder)trans-97.5111.1162.1-57.2-180000108.3L150 K156 V157 S219 H220 I222 K298 L299 L302L150-I152 HydrophobicContact CD1-CG1 4.08Å; I152-K156 VanDerWaalsContact CA-O 3.28Å; I152-K156 WeakPolarHBondContact CA-O 3.48Å; I152-V157 HydrophobicContact CG1-CG2 4.19Å; I152-S219 WeakPolarHBondContact O-CA 3.48Å; I152-S219 WeakPolarHBondContact O-CB 3.48Å; I152-H220 HydrophobicContact CB-CB 4.29Å; I152-H220 PolarHBondContact N-O 3.27Å; I152-H220 PolarHBondContact O-N 3.07Å; I152-I222 HydrophobicContact CD1-CD1 4.31Å; I152-K298 HydrophobicContact CD1-CB 4.44Å; I152-L299 HydrophobicContact CD1-CB 4.12Å; I152-L299 HydrophobicContact CD1-CD1 4.21Å; I152-L302 HydrophobicContact CD1-CD1 4.07Å
153Y87.3Confident91.4Very high51 Ų5130.2 Ų30.220%0.216%0.163CC..EExtended strand (participates in β ladder)trans-131.5126.9177.4175.3-109.8000110.1E155 K156 R215 E266Y153-E155 VanDerWaalsContact C-N 3.31Å; Y153-E155 PolarHBondContact O-N 2.75Å; Y153-K156 PolarHBondContact N-O 2.79Å; Y153-K156 WeakPolarHBondContact O-CB 3.31Å; Y153-K156 PolarHBondContact O-N 2.88Å; Y153-R215 HydrophobicContact CD2-CG 4.4Å; Y153-R215 HydrophobicContact CE2-CG 4.43Å; Y153-E266 HydrophobicContact CE2-CG 3.93Å; Y153-E266 WeakPolarHBondContact CE2-OE1 3.44Å; Y153-E266 PolarHBondContact OH-OE1 2.73Å
154N84.6Confident90.3Very high77 Ų7735.9 Ų35.941%0.41220%0.196SC..THydrogen-bonded Turntrans5046.7-178.5-170.432.3000113.6K156 A269N154-K156 PolarHBondContact O-N 3.22Å; N154-K156 VanDerWaalsContact O-N 3.1Å; N154-A269 WeakPolarHBondContact OD1-CB 3.36Å
155E89.3Confident88.9Confident42 Ų4234.1 Ų34.120%0.19618%0.183CC..THydrogen-bonded Turntrans52.826.7-173.9-73.4-68.5148.800114.5Y153 L272 S297 K298Y153-E155 VanDerWaalsContact C-N 3.31Å; Y153-E155 PolarHBondContact O-N 2.75Å; E155-L272 HydrophobicContact CG-CD2 4.46Å; E155-S297 WeakPolarHBondContact OE1-CB 3.23Å; E155-S297 PolarHBondContact OE1-OG 3.11Å; E155-K298 VanDerWaalsContact O-CD 3.28Å; E155-K298 WeakPolarHBondContact O-CD 3.46Å; E155-K298 WeakPolarHBondContact O-CE 3.2Å; E155-K298 PolarHBondContact O-NZ 2.86Å; E155-K298 WeakPolarHBondContact OE2-CB 3.49Å; E155-K298 WeakPolarHBondContact OE2-CG 3.49Å; E155-K298 PolarHBondContact OE2-N 2.79Å
156K89.9Confident88.3Confident108 Ų10841.5 Ų41.547%0.4722%0.217SC..EExtended strand (participates in β ladder)trans-110143.6166.3-62.5-174.5173.7-170.90110.8I152 Y153 N154 L158 D167I152-K156 VanDerWaalsContact CA-O 3.28Å; I152-K156 WeakPolarHBondContact CA-O 3.48Å; Y153-K156 PolarHBondContact N-O 2.79Å; Y153-K156 WeakPolarHBondContact O-CB 3.31Å; Y153-K156 PolarHBondContact O-N 2.88Å; N154-K156 PolarHBondContact O-N 3.22Å; N154-K156 VanDerWaalsContact O-N 3.1Å; K156-L158 HydrophobicContact CB-CD2 4.39Å; K156-D167 WeakPolarHBondContact CA-OD1 3.39Å; K156-D167 HydrophobicContact CB-CB 4.1Å; K156-D167 HydrophobicContact CD-CB 4.19Å; K156-D167 HydrophobicContact CG-CB 4.09Å
157V92.8Very high88Confident0 Ų044.6 Ų44.60%023%0.233CC..EExtended strand (participates in β ladder)trans-98.7119.6171.8173.70000107.8L150 E151 I152 D167 L168 I170 I180 K298L150-V157 HydrophobicContact CB-CG1 4.44Å; L150-V157 HydrophobicContact CD1-CG1 4.31Å; L150-V157 HydrophobicContact CD2-CG1 4.19Å; E151-V157 WeakPolarHBondContact O-CA 3.49Å; I152-V157 HydrophobicContact CG1-CG2 4.19Å; V157-D167 PolarHBondContact N-OD1 2.95Å; V157-D167 WeakPolarHBondContact O-CA 2.95Å; V157-L168 HydrophobicContact CB-CB 4.21Å; V157-L168 HydrophobicContact CG1-CB 3.95Å; V157-L168 HydrophobicContact CG1-CD1 4.45Å; V157-L168 PolarHBondContact O-N 2.8Å; V157-I170 HydrophobicContact CG2-CD1 4.03Å; V157-I170 HydrophobicContact CG2-CG1 4.11Å; V157-I180 HydrophobicContact CG1-CD1 4.48Å; V157-I180 HydrophobicContact CG1-CG2 4.31Å; V157-K298 HydrophobicContact CG2-CB 4.49Å; V157-K298 HydrophobicContact CG2-CD 3.85Å
158L91.5Very high87.7Confident37 Ų3745.3 Ų45.319%0.19424%0.237CC..EExtended strand (participates in β ladder)trans-116.6140.5-179.8-54.2176.6000109.2L150 E151 K156L150-L158 CarbonylContact C-O 3.31Å; L150-L158 VanDerWaalsContact CA-O 3.24Å; L150-L158 WeakPolarHBondContact CA-O 3.43Å; L150-L158 WeakPolarHBondContact CB-O 3.46Å; E151-L158 PolarHBondContact N-O 3.24Å; E151-L158 PolarHBondContact O-N 2.83Å; K156-L158 HydrophobicContact CB-CD2 4.39Å
159D93.2Very high87.6Confident3 Ų348 Ų482%0.01626%0.255CS..EExtended strand (participates in β ladder)trans-84.2125.9174.7-167.6-29.9000109.7L161 S162 S165 L168 L183 T184D159-L161 WeakPolarHBondContact OD1-CA 3.47Å; D159-L161 WeakPolarHBondContact OD1-CB 3.41Å; D159-L161 PolarHBondContact OD1-N 3.36Å; D159-S162 CarbonylContact O-C 3.57Å; D159-S162 VanDerWaalsContact O-O 3.1Å; D159-S162 PolarHBondContact OD1-N 2.78Å; D159-S165 VanDerWaalsContact CB-OG 3.29Å; D159-S165 WeakPolarHBondContact CB-OG 3.46Å; D159-S165 PolarHBondContact N-OG 2.77Å; D159-S165 PolarHBondContact O-OG 3.08Å; D159-L168 HydrophobicContact CB-CD1 4.23Å; D159-L183 HydrophobicContact CB-CD1 4.29Å; D159-T184 WeakPolarHBondContact OD2-CB 3.42Å; D159-T184 PolarHBondContact OD2-N 3.19Å; D159-T184 PolarHBondContact OD2-OG1 2.8Å
160L91.8Very high87.4Confident8 Ų848.4 Ų48.44%0.04226%0.257CS..SBendtrans-86.9-21.2178.5-66.2175.6000112.6Y149 E151 A201 N204 R205Y149-L160 HydrophobicContact CD1-CB 3.96Å; Y149-L160 HydrophobicContact CD1-CD1 3.92Å; Y149-L160 HydrophobicContact CD2-CD1 3.86Å; Y149-L160 HydrophobicContact CE1-CB 4.47Å; Y149-L160 HydrophobicContact CE1-CD1 3.8Å; Y149-L160 HydrophobicContact CE2-CD1 3.75Å; Y149-L160 HydrophobicContact CG-CB 4.15Å; Y149-L160 HydrophobicContact CG-CD1 3.95Å; Y149-L160 PolarHBondContact O-N 3.15Å; E151-L160 HydrophobicContact CB-CD1 4.16Å; E151-L160 HydrophobicContact CB-CD2 4Å; E151-L160 HydrophobicContact CB-CG 4.09Å; L160-A201 HydrophobicContact CB-CB 4.06Å; L160-A201 WeakPolarHBondContact O-CA 3.33Å; L160-A201 VanDerWaalsContact O-CB 3.27Å; L160-A201 WeakPolarHBondContact O-CB 3.43Å; L160-N204 PolarHBondContact O-ND2 2.87Å; L160-R205 HydrophobicContact CD2-CB 4.26Å
161L91.6Very high87.3Confident36 Ų3655.4 Ų55.419%0.18828%0.283CS..SBendtrans-78.9-29.4172.4-50.6-178.1000111M147 D159 T184 A201M147-L161 HydrophobicContact CE-CD2 4.06Å; D159-L161 WeakPolarHBondContact OD1-CA 3.47Å; D159-L161 WeakPolarHBondContact OD1-CB 3.41Å; D159-L161 PolarHBondContact OD1-N 3.36Å; L161-T184 HydrophobicContact CB-CG2 4.1Å; L161-T184 HydrophobicContact CD1-CG2 4.2Å; L161-A201 HydrophobicContact CD2-CB 3.82Å
162S87.9Confident87Confident48 Ų4858.1 Ų58.134%0.33630%0.295SS..SBendtrans-122.784.9175.8-1700000111.5D159 N164 S165 T184D159-S162 CarbonylContact O-C 3.57Å; D159-S162 VanDerWaalsContact O-O 3.1Å; D159-S162 PolarHBondContact OD1-N 2.78Å; S162-N164 PolarHBondContact O-N 3.28Å; S162-N164 VanDerWaalsContact O-N 3.08Å; S162-S165 WeakPolarHBondContact O-CB 3.5Å; S162-S165 PolarHBondContact O-N 3.35Å; S162-S165 PolarHBondContact O-OG 2.83Å; S162-T184 WeakPolarHBondContact CB-OG1 3.47Å
163P69.8Low86.5Confident81 Ų8160.4 Ų60.453%0.52631%0.308SS..THydrogen-bonded Turntrans-68.7-8.9-171.327.3-35.9000115S165P163-S165 VanDerWaalsContact C-N 3.27Å
164N70.3Confident86Confident156 Ų15668.1 Ų68.183%0.83434%0.342SS*.THydrogen-bonded Turntrans-86.35.8172.1-68-25.2000113.1S162S162-N164 PolarHBondContact O-N 3.28Å; S162-N164 VanDerWaalsContact O-N 3.08Å
165S65.9Low85.3Confident31 Ų3168.8 Ų68.822%0.21735%0.346CS..  trans-66.7145.5-179.2550000113.6D159 S162 P163D159-S165 VanDerWaalsContact CB-OG 3.29Å; D159-S165 WeakPolarHBondContact CB-OG 3.46Å; D159-S165 PolarHBondContact N-OG 2.77Å; D159-S165 PolarHBondContact O-OG 3.08Å; S162-S165 WeakPolarHBondContact O-CB 3.5Å; S162-S165 PolarHBondContact O-N 3.35Å; S162-S165 PolarHBondContact O-OG 2.83Å; P163-S165 VanDerWaalsContact C-N 3.27Å
166Q83.3Confident84.6Confident169 Ų16973.8 Ų73.879%0.7937%0.367SS*.  trans-90.1175.2167.1-60.4-171.314.200110.5L168Q166-L168 PolarHBondContact O-N 2.92Å
167D91.4Very high84Confident66 Ų6670.3 Ų70.335%0.35335%0.354SS..  trans-58.3109.6179.5178.726.9000112.3K156 V157 K298K156-D167 WeakPolarHBondContact CA-OD1 3.39Å; K156-D167 HydrophobicContact CB-CB 4.1Å; K156-D167 HydrophobicContact CD-CB 4.19Å; K156-D167 HydrophobicContact CG-CB 4.09Å; V157-D167 PolarHBondContact N-OD1 2.95Å; V157-D167 WeakPolarHBondContact O-CA 2.95Å; D167-K298 IonicContact OD1-NZ 3.91Å; D167-K298 PolarHBondContact OD1-NZ 2.91Å; D167-K298 IonicContact OD2-NZ 3.55Å; D167-K298 PolarHBondContact OD2-NZ 3.05Å
168L92.6Very high83.6Confident16 Ų1671 Ų718%0.08436%0.357CS..  trans-78.9129.7-173.1-59.7-179.1000112.3V157 D159 Q166 I170 I180 L183V157-L168 HydrophobicContact CB-CB 4.21Å; V157-L168 HydrophobicContact CG1-CB 3.95Å; V157-L168 HydrophobicContact CG1-CD1 4.45Å; V157-L168 PolarHBondContact O-N 2.8Å; D159-L168 HydrophobicContact CB-CD1 4.23Å; Q166-L168 PolarHBondContact O-N 2.92Å; L168-I170 PolarHBondContact O-N 3.19Å; L168-I180 HydrophobicContact CB-CG2 3.56Å; L168-I180 HydrophobicContact CD1-CG2 3.96Å; L168-I180 HydrophobicContact CG-CG2 4.42Å; L168-L183 HydrophobicContact CD1-CB 3.94Å; L168-L183 HydrophobicContact CD1-CD1 4.11Å
169P93.3Very high83.4Confident64 Ų6473.1 Ų73.142%0.41637%0.368SS..  trans-81.3114.3-174.130.9-34.3000112.3R171 P181P169-R171 PolarHBondContact O-N 2.93Å; P169-P181 WeakPolarHBondContact O-CD 3.37Å
170I92.4Very high83.3Confident11 Ų1174.5 Ų74.56%0.05638%0.375CS..  trans-67.1119.3172.9-52.5173.6000110V157 L168 I178 I180 K298 R301 L302V157-I170 HydrophobicContact CG2-CD1 4.03Å; V157-I170 HydrophobicContact CG2-CG1 4.11Å; L168-I170 PolarHBondContact O-N 3.19Å; I170-I178 HydrophobicContact CG2-CG2 3.6Å; I170-I180 HydrophobicContact CG1-CG1 4.43Å; I170-K298 HydrophobicContact CD1-CB 3.61Å; I170-K298 HydrophobicContact CD1-CD 4.17Å; I170-K298 HydrophobicContact CD1-CG 3.84Å; I170-K298 WeakPolarHBondContact CD1-O 2.88Å; I170-R301 HydrophobicContact CD1-CB 4.23Å; I170-R301 HydrophobicContact CG2-CB 4.26Å; I170-R301 VanDerWaalsContact O-CZ 3.24Å; I170-R301 PolarHBondContact O-NH1 3.17Å; I170-R301 PolarHBondContact O-NH2 3.5Å; I170-L302 HydrophobicContact CD1-CD1 4.41Å; I170-L302 HydrophobicContact CD1-CD2 3.61Å; I170-L302 HydrophobicContact CD1-CG 3.84Å; I170-L302 HydrophobicContact CG1-CD2 3.98Å; I170-L302 HydrophobicContact CG2-CD2 3.83Å
171R90.3Very high83.3Confident155 Ų15576.9 Ų76.959%0.58539%0.391SS*.EExtended strand (participates in β ladder)trans-110.9167.8175.2-59.7-163.2-176.1-157.10.3111.2P169 L179 P181P169-R171 PolarHBondContact O-N 2.93Å; R171-L179 PolarHBondContact N-O 2.58Å; R171-L179 PolarHBondContact O-N 2.92Å; R171-P181 HydrophobicContact CG-CG 4.06Å
172E85.9Confident83.2Confident59 Ų5978.2 Ų78.228%0.27641%0.413SS..EExtended strand (participates in β ladder)trans-134.8129.5179.6-174.2177.8165.700106.6N177 I178 R295E172-N177 WeakPolarHBondContact CA-O 3.45Å; E172-I178 HydrophobicContact CB-CD1 4.37Å; E172-I178 HydrophobicContact CG-CD1 4.28Å; E172-R295 IonicContact OE1-NH2 2.71Å; E172-R295 IonicContact OE2-CZ 3.72Å; E172-R295 IonicContact OE2-NE 3.17Å; E172-R295 IonicContact OE2-NH2 2.77Å; E172-R295 PolarHBondContact OE2-NH2 2.89Å
173N80.9Confident83.4Confident51 Ų5177.4 Ų77.427%0.27341%0.405SS..  trans-88.8178.7-177.791.5-24.7000112.1D175 K176 N177 L179N173-D175 PolarHBondContact ND2-OD2 3Å; N173-D175 PolarHBondContact O-N 2.93Å; N173-D175 WeakPolarHBondContact OD1-CA 3.31Å; N173-D175 WeakPolarHBondContact OD1-CB 3.36Å; N173-D175 PolarHBondContact OD1-N 3.18Å; N173-D175 PolarHBondContact OD1-OD2 2.78Å; N173-K176 PolarHBondContact O-N 2.88Å; N173-K176 PolarHBondContact OD1-N 2.79Å; N173-N177 PolarHBondContact N-O 3.48Å; N173-N177 WeakPolarHBondContact OD1-CB 3.34Å; N173-N177 PolarHBondContact OD1-N 3.28Å; N173-L179 HydrophobicContact CB-CD1 3.94Å
174K78.2Confident84.6Confident213 Ų21375.8 Ų75.893%0.92639%0.394SS*.THydrogen-bonded Turntrans-57.3-32.5179.3-68.8-172.8177.7-176.40113.1K176K174-K176 VanDerWaalsContact C-N 3.25Å; K174-K176 PolarHBondContact O-N 2.85Å
175D69.7Low85.7Confident91 Ų9173 Ų7349%0.48738%0.375SS..THydrogen-bonded Turntrans-84.79.1178-38.6-83.7000113.5N173 N177N173-D175 PolarHBondContact ND2-OD2 3Å; N173-D175 PolarHBondContact O-N 2.93Å; N173-D175 WeakPolarHBondContact OD1-CA 3.31Å; N173-D175 WeakPolarHBondContact OD1-CB 3.36Å; N173-D175 PolarHBondContact OD1-N 3.18Å; N173-D175 PolarHBondContact OD1-OD2 2.78Å; D175-N177 PolarHBondContact O-N 3.37Å
176K74.1Confident87.1Confident147 Ų14773 Ų7364%0.63937%0.374SS*.  trans64.214.7-174.6-51.4177.7-176.4174.80114.9N173 K174N173-K176 PolarHBondContact O-N 2.88Å; N173-K176 PolarHBondContact OD1-N 2.79Å; K174-K176 VanDerWaalsContact C-N 3.25Å; K174-K176 PolarHBondContact O-N 2.85Å
177N77.6Confident87.7Confident35 Ų3568.1 Ų68.119%0.18736%0.363CS..  trans-71.2132.8172.4-61.6-50.7000110.1E172 N173 D175 R349E172-N177 WeakPolarHBondContact CA-O 3.45Å; N173-N177 PolarHBondContact N-O 3.48Å; N173-N177 WeakPolarHBondContact OD1-CB 3.34Å; N173-N177 PolarHBondContact OD1-N 3.28Å; D175-N177 PolarHBondContact O-N 3.37Å; N177-R349 PolarHBondContact OD1-NE 2.87Å; N177-R349 PolarHBondContact OD1-NH2 2.7Å
178I84.4Confident88Confident14 Ų1465.3 Ų65.37%0.07235%0.348CS..EExtended strand (participates in β ladder)trans-77.8133.6175.4-57.2-65.1000110.1I170 E172 R301 L302I170-I178 HydrophobicContact CG2-CG2 3.6Å; E172-I178 HydrophobicContact CB-CD1 4.37Å; E172-I178 HydrophobicContact CG-CD1 4.28Å; I178-R301 WeakPolarHBondContact CG1-O 3.45Å; I178-L302 HydrophobicContact CG2-CD2 3.66Å
179L86.2Confident88.1Confident82 Ų8269.1 Ų69.143%0.42938%0.376SS..EExtended strand (participates in β ladder)trans-135.1147.3-177.6-63.8176.1000110.5R171 N173R171-L179 PolarHBondContact N-O 2.58Å; R171-L179 PolarHBondContact O-N 2.92Å; N173-L179 HydrophobicContact CB-CD1 3.94Å
180I92.4Very high88.1Confident31 Ų3168.2 Ų68.216%0.15937%0.371CS..  trans-126.692.2176.6-52.6175.5000107.4L150 V157 L168 I170 L183 L302L150-I180 HydrophobicContact CD2-CD1 3.47Å; L150-I180 VanDerWaalsContact CD2-CD1 3.47Å; V157-I180 HydrophobicContact CG1-CD1 4.48Å; V157-I180 HydrophobicContact CG1-CG2 4.31Å; L168-I180 HydrophobicContact CB-CG2 3.56Å; L168-I180 HydrophobicContact CD1-CG2 3.96Å; L168-I180 HydrophobicContact CG-CG2 4.42Å; I170-I180 HydrophobicContact CG1-CG1 4.43Å; I180-L183 HydrophobicContact CB-CB 4.06Å; I180-L183 HydrophobicContact CB-CD2 4.22Å; I180-L183 HydrophobicContact CD1-CD2 4.14Å; I180-L183 HydrophobicContact CG2-CB 3.91Å; I180-L183 WeakPolarHBondContact O-CB 3.48Å; I180-L183 PolarHBondContact O-N 2.92Å; I180-L302 HydrophobicContact CD1-CD1 3.87Å; I180-L302 HydrophobicContact CD1-CD2 3.76Å; I180-L302 HydrophobicContact CG1-CD2 4.21Å
181P90.5Very high88.2Confident59 Ų5969.6 Ų69.638%0.38338%0.377SS..THydrogen-bonded Turntrans-64.5136.3178.3-18.132.5000110.5P169 R171 L183P169-P181 WeakPolarHBondContact O-CD 3.37Å; R171-P181 HydrophobicContact CG-CG 4.06Å; P181-L183 VanDerWaalsContact C-N 3.33Å
182G89.6Confident88.4Confident63 Ų6365 Ų6565%0.64937%0.368SS*.THydrogen-bonded Turntrans84.30.3-176.500000115
183L93.5Very high88.8Confident32 Ų3263.7 Ų63.717%0.16836%0.363CS..  trans-74.5128.6167.3-179.365.4000109.9L150 D159 L168 I180 P181L150-L183 HydrophobicContact CB-CD1 4.01Å; L150-L183 HydrophobicContact CD2-CD1 4.27Å; L150-L183 HydrophobicContact CD2-CD2 3.88Å; D159-L183 HydrophobicContact CB-CD1 4.29Å; L168-L183 HydrophobicContact CD1-CB 3.94Å; L168-L183 HydrophobicContact CD1-CD1 4.11Å; I180-L183 HydrophobicContact CB-CB 4.06Å; I180-L183 HydrophobicContact CB-CD2 4.22Å; I180-L183 HydrophobicContact CD1-CD2 4.14Å; I180-L183 HydrophobicContact CG2-CB 3.91Å; I180-L183 WeakPolarHBondContact O-CB 3.48Å; I180-L183 PolarHBondContact O-N 2.92Å; P181-L183 VanDerWaalsContact C-N 3.33Å
184T94.4Very high89.6Confident47 Ų4761.2 Ų61.229%0.28835%0.35SS..  trans-63.8134.9177.8-53.70000110.6S148 D159 L161 S162S148-T184 VanDerWaalsContact CB-O 3.24Å; S148-T184 WeakPolarHBondContact CB-O 3.27Å; S148-T184 PolarHBondContact OG-O 3.12Å; D159-T184 WeakPolarHBondContact OD2-CB 3.42Å; D159-T184 PolarHBondContact OD2-N 3.19Å; D159-T184 PolarHBondContact OD2-OG1 2.8Å; L161-T184 HydrophobicContact CB-CG2 4.1Å; L161-T184 HydrophobicContact CD1-CG2 4.2Å; S162-T184 WeakPolarHBondContact CB-OG1 3.47Å
185H93.8Very high90.2Very high96 Ų9652 Ų5244%0.44431%0.311SS..  trans-127.5103.2175.2174.1-69.9000108.8M147 K226M147-H185 WeakPolarHBondContact O-CA 3.22Å; H185-K226 VanDerWaalsContact NE2-CD 3.32Å; H185-K226 WeakPolarHBondContact NE2-CD 3.47Å
186T94.8Very high91.4Very high32 Ų3253.1 Ų53.120%0.19631%0.312CS..EExtended strand (participates in β ladder)trans-95.7127.3-179.2-48.70000109G146 M147 H197G146-T186 CarbonylContact C-O 3.59Å; G146-T186 WeakPolarHBondContact CA-O 3.34Å; M147-T186 PolarHBondContact N-O 2.84Å; M147-T186 PolarHBondContact O-N 3.42Å; T186-H197 WeakPolarHBondContact CG2-NE2 3.45Å
187A96.4Very high92.3Very high67 Ų6749.5 Ų49.555%0.55430%0.297SS*.EExtended strand (participates in β ladder)trans-68.5142.9168.300000109.2
188I97.1Very high93Very high7 Ų748.7 Ų48.74%0.03629%0.291CS..  trans-129.3123.4178.847.9170.3000110.8F129 I145 M147 F194 I225F129-I188 HydrophobicContact CE2-CD1 4.19Å; F129-I188 HydrophobicContact CZ-CB 4.29Å; F129-I188 HydrophobicContact CZ-CD1 4.02Å; F129-I188 HydrophobicContact CZ-CG1 4.09Å; I145-I188 HydrophobicContact CB-CG1 4.26Å; I145-I188 HydrophobicContact CG2-CD1 3.9Å; I145-I188 HydrophobicContact CG2-CG1 3.8Å; I145-I188 PolarHBondContact O-N 3.45Å; M147-I188 HydrophobicContact CB-CD1 4.18Å; M147-I188 HydrophobicContact CG-CD1 4.38Å; M147-I188 HydrophobicContact CG-CG2 3.91Å; M147-I188 HydrophobicContact SD-CD1 4.35Å; M147-I188 HydrophobicContact SD-CG2 3.66Å; I188-F194 HydrophobicContact CD1-CB 4.14Å; I188-F194 HydrophobicContact CD1-CD2 4.16Å; I188-I225 HydrophobicContact CD1-CD1 4.47Å
189S93.9Very high93.3Very high95 Ų9549.4 Ų49.466%0.66430%0.295SS*.  trans-88-26.4-175.559.60000113.8D193S189-D193 WeakPolarHBondContact CB-OD2 3.34Å; S189-D193 PolarHBondContact N-OD2 2.81Å; S189-D193 VanDerWaalsContact OG-CG 3.26Å; S189-D193 PolarHBondContact OG-OD2 2.91Å
190S94.8Very high93.4Very high46 Ų4648.6 Ų48.632%0.32230%0.295SS..SBendtrans-155.6172.6-176.767.90000112.3F129 S192 D193 F194F129-S190 VanDerWaalsContact CE2-C 3.48Å; F129-S190 WeakPolarHBondContact CZ-O 3.25Å; S190-S192 VanDerWaalsContact C-N 3.3Å; S190-S192 PolarHBondContact O-N 3.05Å; S190-D193 VanDerWaalsContact O-CB 3.3Å; S190-D193 WeakPolarHBondContact O-CB 3.35Å; S190-D193 PolarHBondContact O-N 2.88Å; S190-D193 VanDerWaalsContact O-N 3.17Å; S190-D193 PolarHBondContact OG-N 2.84Å; S190-F194 PolarHBondContact O-N 2.91Å
191F94.4Very high93.2Very high39 Ų3947.2 Ų47.217%0.17129%0.288CS..Hα-helixtrans-62.2-35.4173.5-171.9-93.7000112.7P122 V125 R126 F129 D193 F194 D195P122-F191 HydrophobicContact CB-CE2 4.31Å; P122-F191 HydrophobicContact CB-CZ 4Å; P122-F191 VanDerWaalsContact O-CE2 3.29Å; P122-F191 WeakPolarHBondContact O-CE2 3.39Å; V125-F191 HydrophobicContact CB-CE2 4.42Å; V125-F191 HydrophobicContact CG1-CD2 4.18Å; V125-F191 HydrophobicContact CG1-CE2 4.43Å; R126-F191 HydrophobicContact CB-CD2 3.78Å; R126-F191 HydrophobicContact CB-CE2 3.97Å; R126-F191 HydrophobicContact CG-CD2 4.31Å; F129-F191 HydrophobicContact CD2-CB 4.45Å; F191-D193 VanDerWaalsContact C-N 3.33Å; F191-F194 HydrophobicContact CE2-CD1 4.25Å; F191-F194 WeakPolarHBondContact O-CB 3.23Å; F191-F194 PolarHBondContact O-N 3.1Å; F191-D195 WeakPolarHBondContact CE1-OD2 3.28Å; F191-D195 PolarHBondContact O-N 3.48Å
192S94.2Very high93Very high58 Ų5844.9 Ų44.941%0.40627%0.273SS..Hα-helixtrans-64.7-38.9173.5178.30000111.6S190 D195 K196S190-S192 VanDerWaalsContact C-N 3.3Å; S190-S192 PolarHBondContact O-N 3.05Å; S192-D195 PolarHBondContact O-N 2.93Å; S192-K196 WeakPolarHBondContact O-CG 3.48Å; S192-K196 PolarHBondContact O-N 2.82Å
193D95Very high92.5Very high32 Ų3244.1 Ų44.117%0.17125%0.253CS..Hα-helixtrans-65-40.6177.2-147.627.1000111.7S189 S190 F191 H197S189-D193 WeakPolarHBondContact CB-OD2 3.34Å; S189-D193 PolarHBondContact N-OD2 2.81Å; S189-D193 VanDerWaalsContact OG-CG 3.26Å; S189-D193 PolarHBondContact OG-OD2 2.91Å; S190-D193 VanDerWaalsContact O-CB 3.3Å; S190-D193 WeakPolarHBondContact O-CB 3.35Å; S190-D193 PolarHBondContact O-N 2.88Å; S190-D193 VanDerWaalsContact O-N 3.17Å; S190-D193 PolarHBondContact OG-N 2.84Å; F191-D193 VanDerWaalsContact C-N 3.33Å; D193-H197 PolarHBondContact O-CD2 2.74Å; D193-H197 VanDerWaalsContact O-CD2 3.26Å
194F95.9Very high91.5Very high0 Ų045.1 Ų45.10%026%0.259CS..Hα-helixtrans-58.5-50.7169.5168.2-96.7000112.1I121 V125 M147 I188 S190 F191 K196 H197 F198 L223 I225I121-F194 HydrophobicContact CG2-CZ 3.94Å; V125-F194 HydrophobicContact CB-CE1 4.47Å; V125-F194 HydrophobicContact CG1-CB 4.13Å; V125-F194 HydrophobicContact CG1-CD1 3.99Å; V125-F194 HydrophobicContact CG1-CD2 3.92Å; V125-F194 HydrophobicContact CG1-CE1 4.4Å; V125-F194 HydrophobicContact CG1-CE2 4.35Å; V125-F194 HydrophobicContact CG1-CG 3.73Å; V125-F194 HydrophobicContact CG2-CD2 4.23Å; V125-F194 HydrophobicContact CG2-CE1 4.27Å; V125-F194 HydrophobicContact CG2-CE2 3.84Å; V125-F194 HydrophobicContact CG2-CZ 3.86Å; M147-F194 HydrophobicContact CE-CD2 3.9Å; M147-F194 HydrophobicContact CE-CE2 3.86Å; M147-F194 HydrophobicContact SD-CD2 3.66Å; M147-F194 HydrophobicContact SD-CE2 4.23Å; I188-F194 HydrophobicContact CD1-CB 4.14Å; I188-F194 HydrophobicContact CD1-CD2 4.16Å; S190-F194 PolarHBondContact O-N 2.91Å; F191-F194 HydrophobicContact CE2-CD1 4.25Å; F191-F194 WeakPolarHBondContact O-CB 3.23Å; F191-F194 PolarHBondContact O-N 3.1Å; F194-K196 VanDerWaalsContact C-N 3.32Å; F194-K196 PolarHBondContact O-N 2.76Å; F194-H197 PolarHBondContact O-N 2.76Å; F194-H197 VanDerWaalsContact O-N 3.11Å; F194-F198 HydrophobicContact CD1-CB 4.16Å; F194-F198 HydrophobicContact CD2-CB 4.3Å; F194-F198 HydrophobicContact CE1-CB 3.73Å; F194-F198 AromaticContact CE1-CD1 3.65Å; F194-F198 HydrophobicContact CE1-CD1 3.65Å; F194-F198 HydrophobicContact CE1-CD2 4.35Å; F194-F198 HydrophobicContact CE1-CE1 4.34Å; F194-F198 AromaticContact CE1-CG 3.65Å; F194-F198 HydrophobicContact CE1-CG 3.65Å; F194-F198 HydrophobicContact CE2-CB 3.88Å; F194-F198 AromaticContact CE2-CD2 3.96Å; F194-F198 HydrophobicContact CE2-CD2 3.96Å; F194-F198 AromaticContact CE2-CG 3.93Å; F194-F198 HydrophobicContact CE2-CG 3.93Å; F194-F198 HydrophobicContact CG-CB 4.43Å; F194-F198 HydrophobicContact CZ-CB 3.58Å; F194-F198 AromaticContact CZ-CD1 3.64Å; F194-F198 HydrophobicContact CZ-CD1 3.64Å; F194-F198 AromaticContact CZ-CD2 3.53Å; F194-F198 HydrophobicContact CZ-CD2 3.53Å; F194-F198 HydrophobicContact CZ-CE1 4.18Å; F194-F198 HydrophobicContact CZ-CE2 4.08Å; F194-F198 AromaticContact CZ-CG 3.28Å; F194-F198 HydrophobicContact CZ-CG 3.28Å; F194-F198 HydrophobicContact CZ-CZ 4.37Å; F194-F198 WeakPolarHBondContact O-CB 3.44Å; F194-F198 PolarHBondContact O-N 2.81Å; F194-L223 HydrophobicContact CE2-CD1 4.31Å; F194-L223 HydrophobicContact CE2-CD2 3.86Å; F194-L223 HydrophobicContact CZ-CD2 3.97Å; F194-I225 HydrophobicContact CD2-CD1 4.48Å; F194-I225 HydrophobicContact CE2-CD1 4.27Å
195D92.3Very high90.6Very high20 Ų2043.4 Ų43.411%0.10725%0.247CC..Hα-helixtrans-61.2-37.7-177.9-81.9-16000112.5F191 S192 H197 F198 I199F191-D195 WeakPolarHBondContact CE1-OD2 3.28Å; F191-D195 PolarHBondContact O-N 3.48Å; S192-D195 PolarHBondContact O-N 2.93Å; D195-H197 PolarHBondContact O-N 3.38Å; D195-F198 PolarHBondContact O-N 2.86Å; D195-I199 HydrophobicContact CB-CD1 4.07Å; D195-I199 WeakPolarHBondContact O-CB 3.36Å; D195-I199 WeakPolarHBondContact O-CG1 3.28Å; D195-I199 PolarHBondContact O-N 2.83Å
196K93.6Very high89Confident114 Ų11440.6 Ų40.650%0.49624%0.237SC..Hα-helixtrans-55.4-35.6174.8-72.7170.6-167.2175.60112.9S192 F194 P200S192-K196 WeakPolarHBondContact O-CG 3.48Å; S192-K196 PolarHBondContact O-N 2.82Å; F194-K196 VanDerWaalsContact C-N 3.32Å; F194-K196 PolarHBondContact O-N 2.76Å; K196-P200 WeakPolarHBondContact O-CD 3.44Å; K196-P200 WeakPolarHBondContact O-CG 3.38Å
197H93.9Very high86.9Confident70 Ų7041.9 Ų41.932%0.32425%0.245SC..Hα-helixtrans-92.6-35.3177.7-66.9-60.2000113M147 T186 D193 F194 D195 A201M147-H197 HydrophobicContact CE-CB 4.13Å; M147-H197 HydrophobicContact SD-CB 3.89Å; T186-H197 WeakPolarHBondContact CG2-NE2 3.45Å; D193-H197 PolarHBondContact O-CD2 2.74Å; D193-H197 VanDerWaalsContact O-CD2 3.26Å; F194-H197 PolarHBondContact O-N 2.76Å; F194-H197 VanDerWaalsContact O-N 3.11Å; D195-H197 PolarHBondContact O-N 3.38Å; H197-A201 VanDerWaalsContact O-CB 3.29Å; H197-A201 WeakPolarHBondContact O-CB 3.39Å; H197-A201 PolarHBondContact O-N 2.9Å
198F92.9Very high84.7Confident18 Ų1840.8 Ų40.88%0.07924%0.236CC..Hα-helixtrans-75.7-37.9-173.6-176.7-112000113.7L112 I121 M147 Y149 F194 D195 T202 L223L112-F198 HydrophobicContact CD2-CE1 4.08Å; L112-F198 HydrophobicContact CD2-CZ 3.55Å; I121-F198 HydrophobicContact CD1-CZ 4.4Å; I121-F198 HydrophobicContact CG2-CE1 4.13Å; I121-F198 HydrophobicContact CG2-CE2 4.06Å; I121-F198 HydrophobicContact CG2-CZ 3.65Å; M147-F198 HydrophobicContact CE-CB 4.29Å; Y149-F198 HydrophobicContact CD1-CD2 4.05Å; Y149-F198 HydrophobicContact CD1-CE2 4.19Å; Y149-F198 AromaticContact CE1-CD2 3.85Å; Y149-F198 HydrophobicContact CE1-CD2 3.85Å; Y149-F198 AromaticContact CE1-CE2 3.63Å; Y149-F198 HydrophobicContact CE1-CE2 3.63Å; Y149-F198 HydrophobicContact CE2-CE2 4.45Å; Y149-F198 AromaticContact CZ-CE2 3.78Å; F194-F198 HydrophobicContact CD1-CB 4.16Å; F194-F198 HydrophobicContact CD2-CB 4.3Å; F194-F198 HydrophobicContact CE1-CB 3.73Å; F194-F198 AromaticContact CE1-CD1 3.65Å; F194-F198 HydrophobicContact CE1-CD1 3.65Å; F194-F198 HydrophobicContact CE1-CD2 4.35Å; F194-F198 HydrophobicContact CE1-CE1 4.34Å; F194-F198 AromaticContact CE1-CG 3.65Å; F194-F198 HydrophobicContact CE1-CG 3.65Å; F194-F198 HydrophobicContact CE2-CB 3.88Å; F194-F198 AromaticContact CE2-CD2 3.96Å; F194-F198 HydrophobicContact CE2-CD2 3.96Å; F194-F198 AromaticContact CE2-CG 3.93Å; F194-F198 HydrophobicContact CE2-CG 3.93Å; F194-F198 HydrophobicContact CG-CB 4.43Å; F194-F198 HydrophobicContact CZ-CB 3.58Å; F194-F198 AromaticContact CZ-CD1 3.64Å; F194-F198 HydrophobicContact CZ-CD1 3.64Å; F194-F198 AromaticContact CZ-CD2 3.53Å; F194-F198 HydrophobicContact CZ-CD2 3.53Å; F194-F198 HydrophobicContact CZ-CE1 4.18Å; F194-F198 HydrophobicContact CZ-CE2 4.08Å; F194-F198 AromaticContact CZ-CG 3.28Å; F194-F198 HydrophobicContact CZ-CG 3.28Å; F194-F198 HydrophobicContact CZ-CZ 4.37Å; F194-F198 WeakPolarHBondContact O-CB 3.44Å; F194-F198 PolarHBondContact O-N 2.81Å; D195-F198 PolarHBondContact O-N 2.86Å; F198-T202 WeakPolarHBondContact O-CB 3.39Å; F198-T202 PolarHBondContact O-N 2.93Å; F198-T202 PolarHBondContact O-OG1 3.32Å; F198-L223 HydrophobicContact CD2-CD2 4.35Å; F198-L223 HydrophobicContact CE2-CD2 4.02Å
199I89.4Confident82.3Confident30 Ų3041.1 Ų41.115%0.15424%0.239CC..Hα-helixtrans-66.3-52.1-179-66.9172000111D195 A201 T202 L203 L412D195-I199 HydrophobicContact CB-CD1 4.07Å; D195-I199 WeakPolarHBondContact O-CB 3.36Å; D195-I199 WeakPolarHBondContact O-CG1 3.28Å; D195-I199 PolarHBondContact O-N 2.83Å; I199-A201 VanDerWaalsContact C-N 3.34Å; I199-A201 PolarHBondContact O-N 2.91Å; I199-T202 PolarHBondContact O-N 2.93Å; I199-L203 HydrophobicContact CG2-CD1 4.13Å; I199-L203 WeakPolarHBondContact O-CG 3.33Å; I199-L203 PolarHBondContact O-N 2.93Å; I199-L412 HydrophobicContact CG2-CD1 4.05Å
200P88.9Confident79.7Confident65 Ų6540.2 Ų40.242%0.42223%0.229SC..Hα-helixtrans-60.6-39.8176.3-24.435.7000113.2K196 T202 L203 N204K196-P200 WeakPolarHBondContact O-CD 3.44Å; K196-P200 WeakPolarHBondContact O-CG 3.38Å; P200-T202 VanDerWaalsContact C-N 3.35Å; P200-T202 PolarHBondContact O-N 2.87Å; P200-L203 CarbonylContact O-C 3.57Å; P200-L203 WeakPolarHBondContact O-CB 3.5Å; P200-L203 PolarHBondContact O-N 3.37Å; P200-N204 VanDerWaalsContact O-CG 3.25Å; P200-N204 PolarHBondContact O-N 2.91Å; P200-N204 PolarHBondContact O-ND2 2.86Å
201A88.7Confident77Confident2 Ų247 Ų472%0.01725%0.253CS..Hα-helixtrans-66-35.7178.400000113Y149 L160 L161 H197 I199 N204 R205Y149-A201 HydrophobicContact CD1-CB 3.63Å; Y149-A201 HydrophobicContact CE1-CB 4.06Å; L160-A201 HydrophobicContact CB-CB 4.06Å; L160-A201 WeakPolarHBondContact O-CA 3.33Å; L160-A201 VanDerWaalsContact O-CB 3.27Å; L160-A201 WeakPolarHBondContact O-CB 3.43Å; L161-A201 HydrophobicContact CD2-CB 3.82Å; H197-A201 VanDerWaalsContact O-CB 3.29Å; H197-A201 WeakPolarHBondContact O-CB 3.39Å; H197-A201 PolarHBondContact O-N 2.9Å; I199-A201 VanDerWaalsContact C-N 3.34Å; I199-A201 PolarHBondContact O-N 2.91Å; A201-N204 WeakPolarHBondContact O-CB 3.43Å; A201-N204 PolarHBondContact O-N 2.81Å; A201-R205 PolarHBondContact O-N 2.98Å
202T85.2Confident74.3Confident9 Ų952 Ų526%0.05528%0.281CS..Hα-helixtrans-70.7-37.4172.3-60.50000111.3L112 Y149 F198 I199 P200 N204 R205 T206L112-T202 HydrophobicContact CD1-CG2 4.1Å; Y149-T202 WeakPolarHBondContact CE1-OG1 3.24Å; Y149-T202 PolarHBondContact OH-OG1 3.08Å; F198-T202 WeakPolarHBondContact O-CB 3.39Å; F198-T202 PolarHBondContact O-N 2.93Å; F198-T202 PolarHBondContact O-OG1 3.32Å; I199-T202 PolarHBondContact O-N 2.93Å; P200-T202 VanDerWaalsContact C-N 3.35Å; P200-T202 PolarHBondContact O-N 2.87Å; T202-N204 VanDerWaalsContact C-N 3.31Å; T202-N204 PolarHBondContact O-N 3.43Å; T202-R205 WeakPolarHBondContact O-CB 3.47Å; T202-R205 PolarHBondContact O-N 2.81Å; T202-T206 PolarHBondContact O-N 2.67Å; T202-T206 VanDerWaalsContact O-N 3.12Å; T202-T206 PolarHBondContact O-OG1 2.82Å
203L78.7Confident72.2Confident47 Ų4751.1 Ų51.125%0.24627%0.271CS..Hα-helixtrans-64.8-31.2171.3-70.8171.5000112.7I199 P200 T206 T207 L412 L415I199-L203 HydrophobicContact CG2-CD1 4.13Å; I199-L203 WeakPolarHBondContact O-CG 3.33Å; I199-L203 PolarHBondContact O-N 2.93Å; P200-L203 CarbonylContact O-C 3.57Å; P200-L203 WeakPolarHBondContact O-CB 3.5Å; P200-L203 PolarHBondContact O-N 3.37Å; L203-T206 PolarHBondContact O-N 2.89Å; L203-T207 WeakPolarHBondContact O-CB 3.34Å; L203-T207 WeakPolarHBondContact O-CG2 3.27Å; L203-T207 PolarHBondContact O-N 2.61Å; L203-T207 PolarHBondContact O-OG1 3.38Å; L203-L412 HydrophobicContact CD2-CD1 3.79Å; L203-L412 HydrophobicContact CD2-CG 3.93Å; L203-L412 HydrophobicContact CG-CD1 3.93Å; L203-L415 HydrophobicContact CD2-CD2 4.24Å
204N72.9Confident70.4Confident54 Ų5456.1 Ų56.129%0.28929%0.294SS..Hα-helixtrans-63.2-44.1172.7-69-26.4000111.6L160 P200 A201 T202 T206 T207 A208L160-N204 PolarHBondContact O-ND2 2.87Å; P200-N204 VanDerWaalsContact O-CG 3.25Å; P200-N204 PolarHBondContact O-N 2.91Å; P200-N204 PolarHBondContact O-ND2 2.86Å; A201-N204 WeakPolarHBondContact O-CB 3.43Å; A201-N204 PolarHBondContact O-N 2.81Å; T202-N204 VanDerWaalsContact C-N 3.31Å; T202-N204 PolarHBondContact O-N 3.43Å; N204-T206 VanDerWaalsContact C-N 3.3Å; N204-T206 PolarHBondContact O-N 2.95Å; N204-T207 PolarHBondContact O-OG1 2.91Å; N204-A208 VanDerWaalsContact O-CB 3.29Å; N204-A208 WeakPolarHBondContact O-CB 3.39Å; N204-A208 PolarHBondContact O-N 2.82Å
205R76.6Confident68.7Low10 Ų1058 Ų584%0.03830%0.301CS..Hα-helixtrans-59-40.4172.5-170.8-178.2178.6-151.51.5111.4L160 A201 T202 S209 S216 S219 D247L160-R205 HydrophobicContact CD2-CB 4.26Å; A201-R205 PolarHBondContact O-N 2.98Å; T202-R205 WeakPolarHBondContact O-CB 3.47Å; T202-R205 PolarHBondContact O-N 2.81Å; R205-S209 PolarHBondContact O-OG 3.01Å; R205-S216 PolarHBondContact NH2-O 2.81Å; R205-S219 PolarHBondContact NH2-O 3.48Å; R205-D247 IonicContact CZ-OD2 2.71Å; R205-D247 VanDerWaalsContact CZ-OD2 3.31Å; R205-D247 IonicContact NH1-OD2 3.59Å; R205-D247 PolarHBondContact NH1-OD2 3.41Å; R205-D247 IonicContact NH2-OD2 2.69Å; R205-D247 PolarHBondContact NH2-OD2 3Å
206T59.9Low67.5Low37 Ų3759 Ų5923%0.22731%0.309CS..Hα-helixtrans-78.1-43.3-177.1-57.70000113.6T202 L203 N204 A208 S209 T210T202-T206 PolarHBondContact O-N 2.67Å; T202-T206 VanDerWaalsContact O-N 3.12Å; T202-T206 PolarHBondContact O-OG1 2.82Å; L203-T206 PolarHBondContact O-N 2.89Å; N204-T206 VanDerWaalsContact C-N 3.3Å; N204-T206 PolarHBondContact O-N 2.95Å; T206-A208 VanDerWaalsContact C-N 3.32Å; T206-A208 PolarHBondContact O-N 3.25Å; T206-S209 WeakPolarHBondContact O-CA 3.1Å; T206-S209 WeakPolarHBondContact O-CB 3.43Å; T206-S209 PolarHBondContact O-N 3.46Å; T206-S209 PolarHBondContact O-OG 2.99Å; T206-T210 PolarHBondContact O-N 3.31Å; T206-T210 VanDerWaalsContact O-N 3.17Å
207T51.3Low66.4Low60 Ų6054.2 Ų54.237%0.36829%0.29SS..Hα-helixtrans-70.1-28.917952.30000112.6L203 N204 S209 T210L203-T207 WeakPolarHBondContact O-CB 3.34Å; L203-T207 WeakPolarHBondContact O-CG2 3.27Å; L203-T207 PolarHBondContact O-N 2.61Å; L203-T207 PolarHBondContact O-OG1 3.38Å; N204-T207 PolarHBondContact O-OG1 2.91Å; T207-S209 PolarHBondContact O-N 2.88Å; T207-T210 PolarHBondContact O-N 3.3Å; T207-T210 PolarHBondContact O-OG1 2.93Å
208A49.8Very low65.6Low44 Ų4452.5 Ų52.536%0.36428%0.281SS..Hα-helixtrans-70.6-8166.600000113.6N204 T206N204-A208 VanDerWaalsContact O-CB 3.29Å; N204-A208 WeakPolarHBondContact O-CB 3.39Å; N204-A208 PolarHBondContact O-N 2.82Å; T206-A208 VanDerWaalsContact C-N 3.32Å; T206-A208 PolarHBondContact O-N 3.25Å
209S45.9Very low65.3Low13 Ų1351.6 Ų51.69%0.09128%0.277CS..Hα-helixtrans-86.4-54.3168.4-49.30000111.3R205 T206 T207 K211 L212 N213 R215R205-S209 PolarHBondContact O-OG 3.01Å; T206-S209 WeakPolarHBondContact O-CA 3.1Å; T206-S209 WeakPolarHBondContact O-CB 3.43Å; T206-S209 PolarHBondContact O-N 3.46Å; T206-S209 PolarHBondContact O-OG 2.99Å; T207-S209 PolarHBondContact O-N 2.88Å; S209-K211 PolarHBondContact O-N 2.73Å; S209-L212 PolarHBondContact O-N 2.79Å; S209-N213 CarbonylContact C-O 3.5Å; S209-N213 WeakPolarHBondContact CA-O 3.49Å; S209-N213 WeakPolarHBondContact CB-O 3.48Å; S209-N213 CarbonylContact O-C 3.45Å; S209-N213 PolarHBondContact O-N 3.2Å; S209-R215 WeakPolarHBondContact OG-CB 3.48Å; S209-R215 PolarHBondContact OG-N 3.38Å
210T39.3Very low65.4Low77 Ų7750.4 Ų50.447%0.47227%0.271SS..Hα-helixtrans-60.8-24.6-166.758.20000114T206 T207 C419T206-T210 PolarHBondContact O-N 3.31Å; T206-T210 VanDerWaalsContact O-N 3.17Å; T207-T210 PolarHBondContact O-N 3.3Å; T207-T210 PolarHBondContact O-OG1 2.93Å; T210-C419 HydrophobicContact CG2-CB 4.04Å; T210-C419 WeakPolarHBondContact CG2-SG 3.36Å
211K37.8Very low65.6Low188 Ų18847.5 Ų47.582%0.81725%0.252SS*.THydrogen-bonded Turntrans-74.5-15.1175.2-71-173.6176.2-179.60115.3S209S209-K211 PolarHBondContact O-N 2.73Å
212L38.9Very low66Low144 Ų14447.6 Ų47.675%0.75425%0.252SS*.THydrogen-bonded Turntrans-160.6-28.1-179-113.1166.7000118.7S209S209-L212 PolarHBondContact O-N 2.79Å
213N49.3Very low66.5Low39 Ų3947.2 Ų47.221%0.20925%0.25CC..SBendtrans-165.2157.5-179-82.1-52000111.9S209 R215 R218 R263S209-N213 CarbonylContact C-O 3.5Å; S209-N213 WeakPolarHBondContact CA-O 3.49Å; S209-N213 WeakPolarHBondContact CB-O 3.48Å; S209-N213 CarbonylContact O-C 3.45Å; S209-N213 PolarHBondContact O-N 3.2Å; N213-R215 VanDerWaalsContact C-N 3.27Å; N213-R215 PolarHBondContact O-N 3.42Å; N213-R218 VanDerWaalsContact CG-NH1 3.32Å; N213-R218 PolarHBondContact ND2-NH1 3.12Å; N213-R218 PolarHBondContact OD1-NH1 2.86Å; N213-R263 VanDerWaalsContact OD1-CZ 3.26Å; N213-R263 PolarHBondContact OD1-NE 3.48Å; N213-R263 PolarHBondContact OD1-NH2 2.9Å
214Q56.7Low67.4Low138 Ų13846.3 Ų46.365%0.64525%0.245SC*.  trans-69.973.4173.7-163.9175.740.300112.4S216 S217Q214-S216 VanDerWaalsContact C-N 3.26Å; Q214-S216 PolarHBondContact O-N 2.94Å; Q214-S216 VanDerWaalsContact O-N 3.13Å; Q214-S217 PolarHBondContact O-N 2.86Å; Q214-S217 PolarHBondContact O-OG 3.12Å
215R60.8Low68.6Low40 Ų4043.8 Ų43.815%0.15123%0.232CC..G310 helixtrans-58.2-27.3-168.2-167.1-174.5176.7122.2-11.3114.8E151 Y153 S209 N213 S217 R218 S219E151-R215 IonicContact OE1-CZ 2.7Å; E151-R215 IonicContact OE1-NE 2.9Å; E151-R215 PolarHBondContact OE1-NE 2.85Å; E151-R215 IonicContact OE1-NH2 2.77Å; E151-R215 IonicContact OE2-CZ 3.31Å; E151-R215 VanDerWaalsContact OE2-CZ 3.28Å; E151-R215 IonicContact OE2-NE 2.76Å; E151-R215 PolarHBondContact OE2-NE 2.91Å; E151-R215 VanDerWaalsContact OE2-NE 3.07Å; E151-R215 IonicContact OE2-NH2 3.48Å; E151-R215 PolarHBondContact OE2-NH2 2.71Å; Y153-R215 HydrophobicContact CD2-CG 4.4Å; Y153-R215 HydrophobicContact CE2-CG 4.43Å; S209-R215 WeakPolarHBondContact OG-CB 3.48Å; S209-R215 PolarHBondContact OG-N 3.38Å; N213-R215 VanDerWaalsContact C-N 3.27Å; N213-R215 PolarHBondContact O-N 3.42Å; R215-S217 PolarHBondContact O-N 3.19Å; R215-R218 CarbonylContact O-C 3.58Å; R215-R218 WeakPolarHBondContact O-CA 3.39Å; R215-R218 WeakPolarHBondContact O-CB 3.41Å; R215-R218 PolarHBondContact O-N 2.91Å; R215-S219 PolarHBondContact O-N 3.07Å; R215-S219 VanDerWaalsContact O-N 3.11Å; R215-S219 PolarHBondContact O-OG 3.04Å
216S66.3Low69.5Low40 Ų4046.2 Ų46.228%0.2824%0.243SC..G310 helixtrans-61.9-26.4-17852.70000114.3R205 Q214 R218R205-S216 PolarHBondContact NH2-O 2.81Å; Q214-S216 VanDerWaalsContact C-N 3.26Å; Q214-S216 PolarHBondContact O-N 2.94Å; Q214-S216 VanDerWaalsContact O-N 3.13Å; S216-R218 PolarHBondContact O-N 3Å
217S70.9Confident71.2Confident13 Ų1344.6 Ų44.69%0.09123%0.232CC..G310 helixtrans-78.6-8170.6530000113.7T103 Q214 R215 A249 G250T103-S217 VanDerWaalsContact OG1-CB 3.22Å; T103-S217 WeakPolarHBondContact OG1-CB 3.47Å; Q214-S217 PolarHBondContact O-N 2.86Å; Q214-S217 PolarHBondContact O-OG 3.12Å; R215-S217 PolarHBondContact O-N 3.19Å; S217-A249 WeakPolarHBondContact O-CB 3.33Å; S217-G250 PolarHBondContact O-N 2.94Å
218R77.4Confident73.3Confident34 Ų3442.2 Ų42.213%0.12822%0.218CC..THydrogen-bonded Turntrans-125.13.7-165.5-63.3-163.8-176.21598.3114.1N213 R215 S216 E266 I270N213-R218 VanDerWaalsContact CG-NH1 3.32Å; N213-R218 PolarHBondContact ND2-NH1 3.12Å; N213-R218 PolarHBondContact OD1-NH1 2.86Å; R215-R218 CarbonylContact O-C 3.58Å; R215-R218 WeakPolarHBondContact O-CA 3.39Å; R215-R218 WeakPolarHBondContact O-CB 3.41Å; R215-R218 PolarHBondContact O-N 2.91Å; S216-R218 PolarHBondContact O-N 3Å; R218-E266 HydrophobicContact CB-CG 4.49Å; R218-E266 WeakPolarHBondContact CD-OE1 3.43Å; R218-E266 IonicContact CZ-OE2 2.79Å; R218-E266 IonicContact NH1-OE1 3.76Å; R218-E266 IonicContact NH1-OE2 2.74Å; R218-E266 PolarHBondContact NH1-OE2 2.79Å; R218-I270 HydrophobicContact CB-CD1 3.57Å; R218-I270 HydrophobicContact CB-CG1 4.36Å; R218-I270 HydrophobicContact CG-CD1 3.62Å; R218-I270 WeakPolarHBondContact O-CG1 3.38Å
219S86.4Confident75.3Confident0 Ų041.4 Ų41.40%021%0.205CC..  trans-139.6145.2175.769.50000111.8E151 I152 R205 R215E151-S219 VanDerWaalsContact CG-CB 3.5Å; E151-S219 WeakPolarHBondContact OE1-CB 3.26Å; E151-S219 PolarHBondContact OE1-OG 3.43Å; I152-S219 WeakPolarHBondContact O-CA 3.48Å; I152-S219 WeakPolarHBondContact O-CB 3.48Å; R205-S219 PolarHBondContact NH2-O 3.48Å; R215-S219 PolarHBondContact O-N 3.07Å; R215-S219 VanDerWaalsContact O-N 3.11Å; R215-S219 PolarHBondContact O-OG 3.04Å
220H91.9Very high77.5Confident4 Ų442.4 Ų42.42%0.01921%0.211CC..EExtended strand (participates in β ladder)trans-92.7119.2175.1-46.1-82.5000108.6E151 I152 D247 L248 A249 S273 L299E151-H220 CarbonylContact C-O 3.57Å; E151-H220 WeakPolarHBondContact CA-O 3.46Å; I152-H220 HydrophobicContact CB-CB 4.29Å; I152-H220 PolarHBondContact N-O 3.27Å; I152-H220 PolarHBondContact O-N 3.07Å; H220-D247 CarbonylContact C-O 3.47Å; H220-D247 WeakPolarHBondContact CA-O 3.33Å; H220-L248 HydrophobicContact CB-CD2 4.22Å; H220-L248 WeakPolarHBondContact ND1-CA 3.37Å; H220-L248 WeakPolarHBondContact ND1-CD2 3.24Å; H220-A249 VanDerWaalsContact CE1-CB 3.45Å; H220-A249 WeakPolarHBondContact CE1-CB 3.38Å; H220-A249 PolarHBondContact ND1-N 2.89Å; H220-S273 PolarHBondContact NE2-OG 3.46Å; H220-L299 HydrophobicContact CB-CD1 4.09Å
221A93.4Very high80Confident4 Ų440.7 Ų40.73%0.03320%0.198CC..EExtended strand (participates in β ladder)trans-96.2135.3173.800000110.3Y149 L150 V246 D247Y149-A221 HydrophobicContact CE2-CB 4.07Å; L150-A221 WeakPolarHBondContact O-CA 3.12Å; A221-V246 WeakPolarHBondContact O-CA 3.46Å; A221-D247 HydrophobicContact CB-CB 4.45Å; A221-D247 PolarHBondContact N-O 2.99Å; A221-D247 PolarHBondContact O-N 2.88Å
222I95.8Very high82.3Confident5 Ų536 Ų363%0.02618%0.175CC..EExtended strand (participates in β ladder)trans-130.2107.7-179.3-60.2177.3000108.2L150 I152 Y244 V246 L302L150-I222 HydrophobicContact CD1-CB 3.86Å; L150-I222 HydrophobicContact CD1-CD1 4.22Å; L150-I222 HydrophobicContact CD1-CG1 4.27Å; L150-I222 HydrophobicContact CG-CB 4.09Å; L150-I222 PolarHBondContact N-O 2.83Å; L150-I222 PolarHBondContact O-N 2.79Å; I152-I222 HydrophobicContact CD1-CD1 4.31Å; I222-Y244 HydrophobicContact CG2-CD1 4.33Å; I222-V246 HydrophobicContact CG1-CB 4.44Å; I222-V246 HydrophobicContact CG1-CG1 3.93Å; I222-V246 HydrophobicContact CG1-CG2 4.02Å; I222-V246 HydrophobicContact CG2-CG2 4.23Å; I222-L302 HydrophobicContact CD1-CB 4.22Å; I222-L302 HydrophobicContact CD1-CD1 3.89Å
223L97Very high84.6Confident0 Ų031.7 Ų31.70%016%0.16CC..EExtended strand (participates in β ladder)trans-89.5125.7166173.966.5000108.3I121 M147 Y149 F194 F198 I225 L245I121-L223 HydrophobicContact CG1-CD2 4.44Å; I121-L223 HydrophobicContact CG2-CD2 3.47Å; I121-L223 VanDerWaalsContact CG2-CD2 3.47Å; M147-L223 HydrophobicContact CB-CD1 4.46Å; M147-L223 HydrophobicContact CE-CD1 4.06Å; Y149-L223 HydrophobicContact CD2-CB 3.81Å; Y149-L223 HydrophobicContact CD2-CD1 4.32Å; Y149-L223 HydrophobicContact CE2-CB 4.13Å; Y149-L223 HydrophobicContact CG-CD1 4.21Å; F194-L223 HydrophobicContact CE2-CD1 4.31Å; F194-L223 HydrophobicContact CE2-CD2 3.86Å; F194-L223 HydrophobicContact CZ-CD2 3.97Å; F198-L223 HydrophobicContact CD2-CD2 4.35Å; F198-L223 HydrophobicContact CE2-CD2 4.02Å; L223-I225 HydrophobicContact CD1-CD1 4.08Å; L223-I225 HydrophobicContact CD2-CD1 4.24Å; L223-I225 HydrophobicContact CG-CD1 4.11Å; L223-I225 HydrophobicContact CG-CG1 4.45Å; L223-L245 HydrophobicContact CB-CB 4.27Å; L223-L245 HydrophobicContact CD2-CD1 4.08Å; L223-L245 PolarHBondContact N-O 2.92Å; L223-L245 PolarHBondContact O-N 2.88Å
224L96.7Very high86.1Confident29 Ų2936.4 Ų36.415%0.15219%0.185CC..EExtended strand (participates in β ladder)trans-108.3118.4173.4167.860.9000108.4M147 S148 K242 L243 Y244M147-L224 WeakPolarHBondContact CA-O 3.36Å; S148-L224 PolarHBondContact N-O 3.13Å; S148-L224 PolarHBondContact O-N 3.18Å; L224-K242 HydrophobicContact CD1-CB 3.81Å; L224-K242 HydrophobicContact CD1-CD 4.2Å; L224-K242 HydrophobicContact CD1-CG 4.11Å; L224-L243 WeakPolarHBondContact CA-O 3.43Å; L224-Y244 HydrophobicContact CD1-CD1 4.23Å; L224-Y244 HydrophobicContact CD1-CE1 4.02Å; L224-Y244 HydrophobicContact CD1-CE2 4.39Å
225I97.7Very high87.6Confident1 Ų132.5 Ų32.51%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-100.1124.3164.8-52.8-60000107.9V125 I145 M147 I188 F194 L223 K242 L243V125-I225 HydrophobicContact CG2-CD1 3.99Å; V125-I225 HydrophobicContact CG2-CG1 4.04Å; I145-I225 HydrophobicContact CG2-CG2 3.85Å; M147-I225 HydrophobicContact CB-CD1 3.88Å; I188-I225 HydrophobicContact CD1-CD1 4.47Å; F194-I225 HydrophobicContact CD2-CD1 4.48Å; F194-I225 HydrophobicContact CE2-CD1 4.27Å; L223-I225 HydrophobicContact CD1-CD1 4.08Å; L223-I225 HydrophobicContact CD2-CD1 4.24Å; L223-I225 HydrophobicContact CG-CD1 4.11Å; L223-I225 HydrophobicContact CG-CG1 4.45Å; I225-K242 WeakPolarHBondContact O-CA 3.29Å; I225-L243 HydrophobicContact CB-CB 4.31Å; I225-L243 PolarHBondContact N-O 3.12Å; I225-L243 PolarHBondContact O-N 3.45Å
226K96.1Very high88.8Confident61 Ų6133.3 Ų33.327%0.26518%0.177SC..EExtended strand (participates in β ladder)trans-106.6125177-175.3-157.6180-154.20108I145 G146 H185 V228 T240I145-K226 WeakPolarHBondContact CA-O 3.4Å; G146-K226 PolarHBondContact N-O 3.28Å; G146-K226 PolarHBondContact O-N 2.95Å; H185-K226 VanDerWaalsContact NE2-CD 3.32Å; H185-K226 WeakPolarHBondContact NE2-CD 3.47Å; K226-V228 HydrophobicContact CD-CG2 3.96Å; K226-V228 HydrophobicContact CG-CG2 4.18Å; K226-T240 HydrophobicContact CD-CG2 4.45Å; K226-T240 HydrophobicContact CG-CG2 3.94Å
227V96Very high89.9Confident2 Ų235.5 Ų35.51%0.01218%0.179CC..EExtended strand (participates in β ladder)trans-111125.3170.7-175.10000107.6I89 V128 V132 Y143 T240 G241I89-V227 HydrophobicContact CG2-CB 3.97Å; I89-V227 HydrophobicContact CG2-CG2 3.72Å; V128-V227 HydrophobicContact CG1-CG2 3.78Å; V132-V227 HydrophobicContact CG2-CG1 4.4Å; Y143-V227 HydrophobicContact CD1-CG1 4.12Å; V227-T240 CarbonylContact O-C 3.45Å; V227-T240 WeakPolarHBondContact O-CA 3.38Å; V227-G241 PolarHBondContact N-O 3.41Å; V227-G241 PolarHBondContact O-N 2.85Å
228V94.8Very high90.9Very high11 Ų1137.6 Ų37.67%0.06719%0.187CC..EExtended strand (participates in β ladder)trans-114.5124.2173.9-176.60000107.3Y143 S144 K226 Q238 Q239 T240Y143-V228 CarbonylContact C-O 3.52Å; Y143-V228 WeakPolarHBondContact CA-O 3.42Å; S144-V228 PolarHBondContact N-O 2.78Å; S144-V228 PolarHBondContact O-N 2.98Å; K226-V228 HydrophobicContact CD-CG2 3.96Å; K226-V228 HydrophobicContact CG-CG2 4.18Å; V228-Q238 VanDerWaalsContact CG1-CD 3.4Å; V228-Q238 HydrophobicContact CG1-CG 3.42Å; V228-Q238 VanDerWaalsContact CG1-CG 3.42Å; V228-Q239 WeakPolarHBondContact CA-O 3.49Å; V228-T240 HydrophobicContact CG2-CG2 4.3Å
229R92.1Very high91.7Very high26 Ų2636.9 Ų36.910%0.09819%0.185CC..EExtended strand (participates in β ladder)trans-107.8137.5164.268.9170.3179.2-161.8-2.9110.6L90 N91 W141 D142 Y143 Q238 Q239L90-R229 VanDerWaalsContact O-CD 3.29Å; L90-R229 WeakPolarHBondContact O-CD 3.31Å; L90-R229 PolarHBondContact O-NE 2.93Å; L90-R229 PolarHBondContact O-NH1 2.85Å; N91-R229 PolarHBondContact OD1-NH1 2.98Å; N91-R229 PolarHBondContact OD1-NH2 3.23Å; W141-R229 HydrophobicContact CD2-CG 4.31Å; W141-R229 HydrophobicContact CE3-CB 3.91Å; W141-R229 HydrophobicContact CE3-CG 3.54Å; W141-R229 HydrophobicContact CZ3-CG 3.83Å; D142-R229 CarbonylContact O-C 3.59Å; D142-R229 VanDerWaalsContact O-CA 3.25Å; D142-R229 WeakPolarHBondContact O-CA 3.48Å; Y143-R229 HydrophobicContact CD1-CB 3.73Å; Y143-R229 HydrophobicContact CE1-CB 3.61Å; Y143-R229 HydrophobicContact CE1-CG 4.31Å; Y143-R229 HydrophobicContact CG-CB 4.33Å; R229-Q238 CarbonylContact O-C 3.54Å; R229-Q238 WeakPolarHBondContact O-CA 3.48Å; R229-Q239 HydrophobicContact CG-CB 3.96Å; R229-Q239 VanDerWaalsContact CZ-OE1 3.3Å; R229-Q239 PolarHBondContact N-O 3.44Å; R229-Q239 PolarHBondContact O-N 3.47Å
230T92.4Very high92Very high35 Ų3537.9 Ų37.922%0.21519%0.192CC..EExtended strand (participates in β ladder)trans-124.7132.5179.3-49.70000109W141 D142 R232 H236 R237 Q238W141-T230 WeakPolarHBondContact CA-O 3.19Å; W141-T230 VanDerWaalsContact CE3-C 3.5Å; D142-T230 PolarHBondContact N-O 2.73Å; D142-T230 PolarHBondContact O-N 3.36Å; T230-R232 PolarHBondContact O-N 3.26Å; T230-H236 HydrophobicContact CG2-CB 4.43Å; T230-R237 CarbonylContact C-O 3.36Å; T230-R237 WeakPolarHBondContact CA-O 3.4Å; T230-Q238 HydrophobicContact CG2-CB 4.45Å; T230-Q238 PolarHBondContact OG1-NE2 2.84Å
231Q91.2Very high92.1Very high40 Ų4037.7 Ų37.719%0.18719%0.191CC..EExtended strand (participates in β ladder)trans-71.7127.9-178.6-167.1-176.86.200110.4G140 W141 A233 H236 R237G140-Q231 WeakPolarHBondContact O-CA 3.41Å; W141-Q231 HydrophobicContact CD2-CB 4.3Å; W141-Q231 HydrophobicContact CE3-CB 4.05Å; W141-Q231 HydrophobicContact CH2-CB 4.05Å; W141-Q231 HydrophobicContact CZ2-CB 4.28Å; W141-Q231 HydrophobicContact CZ2-CG 4.33Å; W141-Q231 HydrophobicContact CZ3-CB 3.93Å; Q231-A233 VanDerWaalsContact C-N 3.35Å; Q231-A233 HydrophobicContact CG-CB 4.36Å; Q231-A233 WeakPolarHBondContact CG-O 3.39Å; Q231-H236 WeakPolarHBondContact O-CA 3.42Å; Q231-H236 PolarHBondContact O-ND1 3.31Å; Q231-R237 HydrophobicContact CB-CB 4.21Å; Q231-R237 WeakPolarHBondContact CB-O 3.35Å; Q231-R237 PolarHBondContact N-O 2.9Å; Q231-R237 VanDerWaalsContact OE1-CD 3.31Å; Q231-R237 VanDerWaalsContact OE1-CG 3.31Å
232R87.3Confident92.2Very high90 Ų9039 Ų3934%0.3420%0.196SC..SBendtrans-60.9-45.2175.9-70.9171.1-179.1146.88.1110.9D136 E139 G140 W141 D142 T230 H236D136-R232 IonicContact OD1-NH2 2.62Å; D136-R232 PolarHBondContact OD1-NH2 3.22Å; E139-R232 WeakPolarHBondContact O-CD 3.42Å; E139-R232 PolarHBondContact O-NH1 3.42Å; G140-R232 PolarHBondContact O-N 3.35Å; W141-R232 PolarHBondContact O-NH2 2.97Å; D142-R232 IonicContact OD1-CZ 3.33Å; D142-R232 IonicContact OD1-NE 3.02Å; D142-R232 PolarHBondContact OD1-NE 2.88Å; D142-R232 IonicContact OD1-NH2 3.24Å; D142-R232 PolarHBondContact OD1-NH2 2.98Å; D142-R232 VanDerWaalsContact OD2-CG 3.3Å; D142-R232 WeakPolarHBondContact OD2-CG 3.37Å; D142-R232 IonicContact OD2-NE 3.06Å; T230-R232 PolarHBondContact O-N 3.26Å; R232-H236 PolarHBondContact O-CE1 3.5Å; R232-H236 PolarHBondContact O-ND1 2.92Å
233A85.8Confident92.3Very high54 Ų5438.8 Ų38.845%0.44619%0.194SC..SBendtrans-73.8153.2174.900000113Q231 H236Q231-A233 VanDerWaalsContact C-N 3.35Å; Q231-A233 HydrophobicContact CG-CB 4.36Å; Q231-A233 WeakPolarHBondContact CG-O 3.39Å; A233-H236 PolarHBondContact O-N 3.21Å
234L81.9Confident92.3Very high137 Ų13739.8 Ų39.872%0.71720%0.198SC*.THydrogen-bonded Turntrans-58142.6167.8-76.2167.9000110.6
235P86.8Confident92.3Very high56 Ų5638.5 Ų38.536%0.36419%0.191SC..THydrogen-bonded Turncis-93.631.211.139.1-37.3000113.8R237 V352P235-R237 HydrophobicContact CG-CG 4.06Å; P235-R237 PolarHBondContact O-N 2.78Å; P235-V352 HydrophobicContact CB-CG1 4.22Å; P235-V352 VanDerWaalsContact O-CG1 3.3Å; P235-V352 WeakPolarHBondContact O-CG1 3.24Å
236H87.1Confident92.3Very high58 Ų5838.4 Ų38.427%0.26919%0.191SC..  trans53.253.7-176.5-53.8-56000112.4T230 Q231 R232 A233 Q238 A353T230-H236 HydrophobicContact CG2-CB 4.43Å; Q231-H236 WeakPolarHBondContact O-CA 3.42Å; Q231-H236 PolarHBondContact O-ND1 3.31Å; R232-H236 PolarHBondContact O-CE1 3.5Å; R232-H236 PolarHBondContact O-ND1 2.92Å; A233-H236 PolarHBondContact O-N 3.21Å; H236-Q238 PolarHBondContact O-N 3.46Å; H236-A353 HydrophobicContact CB-CB 4.07Å; H236-A353 WeakPolarHBondContact O-CB 3.41Å; H236-A353 PolarHBondContact O-N 2.71Å
237R90.1Very high92.2Very high85 Ų8535.7 Ų35.732%0.32118%0.18SC..EExtended strand (participates in β ladder)trans-56.7129.1172-65.1173.1-179-115.912.5108.9W141 T230 Q231 P235 E350W141-R237 HydrophobicContact CH2-CB 3.96Å; W141-R237 HydrophobicContact CZ3-CB 4.43Å; W141-R237 WeakPolarHBondContact CZ3-O 3.46Å; T230-R237 CarbonylContact C-O 3.36Å; T230-R237 WeakPolarHBondContact CA-O 3.4Å; Q231-R237 HydrophobicContact CB-CB 4.21Å; Q231-R237 WeakPolarHBondContact CB-O 3.35Å; Q231-R237 PolarHBondContact N-O 2.9Å; Q231-R237 VanDerWaalsContact OE1-CD 3.31Å; Q231-R237 VanDerWaalsContact OE1-CG 3.31Å; P235-R237 HydrophobicContact CG-CG 4.06Å; P235-R237 PolarHBondContact O-N 2.78Å; R237-E350 VanDerWaalsContact CD-OE1 3.28Å; R237-E350 WeakPolarHBondContact CD-OE1 3.48Å; R237-E350 WeakPolarHBondContact CG-OE1 3.43Å; R237-E350 IonicContact CZ-OE1 2.73Å; R237-E350 IonicContact NE-OE1 2.74Å; R237-E350 IonicContact NH1-OE1 4Å; R237-E350 PolarHBondContact NH1-OE1 3.35Å
238Q91.9Very high92.1Very high58 Ų5835.6 Ų35.627%0.27118%0.179SC..EExtended strand (participates in β ladder)trans-114.6126.8175.9-177.1169.79700109.7V228 R229 T230 H236 E350 T351 A353V228-Q238 VanDerWaalsContact CG1-CD 3.4Å; V228-Q238 HydrophobicContact CG1-CG 3.42Å; V228-Q238 VanDerWaalsContact CG1-CG 3.42Å; R229-Q238 CarbonylContact O-C 3.54Å; R229-Q238 WeakPolarHBondContact O-CA 3.48Å; T230-Q238 HydrophobicContact CG2-CB 4.45Å; T230-Q238 PolarHBondContact OG1-NE2 2.84Å; H236-Q238 PolarHBondContact O-N 3.46Å; Q238-E350 CarbonylContact O-C 3.51Å; Q238-E350 WeakPolarHBondContact O-CA 3.41Å; Q238-T351 WeakPolarHBondContact CA-O 3.33Å; Q238-T351 PolarHBondContact N-O 2.92Å; Q238-T351 PolarHBondContact O-N 2.96Å; Q238-T351 VanDerWaalsContact O-O 3.11Å; Q238-T351 PolarHBondContact O-OG1 2.93Å; Q238-A353 HydrophobicContact CB-CB 4.4Å
239Q92.8Very high91.9Very high18 Ų1835.1 Ų35.18%0.08418%0.176CC..EExtended strand (participates in β ladder)trans-115.8134176.3-69.1-177.6-5.700110W141 V228 R229 T348 R349 E350W141-Q239 HydrophobicContact CH2-CG 4.43Å; W141-Q239 HydrophobicContact CZ3-CG 4.48Å; V228-Q239 WeakPolarHBondContact CA-O 3.49Å; R229-Q239 HydrophobicContact CG-CB 3.96Å; R229-Q239 VanDerWaalsContact CZ-OE1 3.3Å; R229-Q239 PolarHBondContact N-O 3.44Å; R229-Q239 PolarHBondContact O-N 3.47Å; Q239-T348 HydrophobicContact CG-CG2 4.04Å; Q239-R349 VanDerWaalsContact CA-O 3.32Å; Q239-R349 WeakPolarHBondContact CA-O 3.41Å; Q239-E350 HydrophobicContact CG-CB 3.95Å; Q239-E350 HydrophobicContact CG-CG 3.92Å; Q239-E350 PolarHBondContact NE2-OE2 2.7Å
240T93.3Very high91.7Very high22 Ų2233.9 Ų33.914%0.13517%0.171CC..EExtended strand (participates in β ladder)trans-121.2107.3-176.8-64.10000112.1K226 V227 V228 R349K226-T240 HydrophobicContact CD-CG2 4.45Å; K226-T240 HydrophobicContact CG-CG2 3.94Å; V227-T240 CarbonylContact O-C 3.45Å; V227-T240 WeakPolarHBondContact O-CA 3.38Å; V228-T240 HydrophobicContact CG2-CG2 4.3Å; T240-R349 PolarHBondContact N-O 2.82Å
241G94.6Very high91.5Very high0 Ų033.5 Ų33.50%017%0.17CC..EExtended strand (participates in β ladder)trans-85.9154.1166.800000112.1I89 Q93 V227I89-G241 WeakPolarHBondContact O-CA 3.48Å; Q93-G241 VanDerWaalsContact O-CA 3.26Å; Q93-G241 WeakPolarHBondContact O-CA 3.36Å; V227-G241 PolarHBondContact N-O 3.41Å; V227-G241 PolarHBondContact O-N 2.85Å
242K94.9Very high90.9Very high31 Ų3132.9 Ų32.914%0.13517%0.167CC..EExtended strand (participates in β ladder)trans-138124.2174.9-67-174.7-176177.70110.3N94 A95 L224 I225 Y244N94-K242 CarbonylContact C-O 3.6Å; N94-K242 VanDerWaalsContact CA-O 3.3Å; N94-K242 WeakPolarHBondContact CA-O 3.43Å; A95-K242 PolarHBondContact N-O 3.04Å; L224-K242 HydrophobicContact CD1-CB 3.81Å; L224-K242 HydrophobicContact CD1-CD 4.2Å; L224-K242 HydrophobicContact CD1-CG 4.11Å; I225-K242 WeakPolarHBondContact O-CA 3.29Å; K242-Y244 HydrophobicContact CB-CD2 4.39Å; K242-Y244 HydrophobicContact CB-CE2 3.72Å; K242-Y244 HydrophobicContact CD-CE2 4.23Å; K242-Y244 WeakPolarHBondContact CD-OH 3.44Å
243L97.2Very high90.1Very high0 Ų031.6 Ų31.60%017%0.167CC..EExtended strand (participates in β ladder)trans-103.4118.9170.6173.263000109.5L86 I89 A95 A124 V128 L224 I225 L245L86-L243 HydrophobicContact CD2-CD1 4.12Å; L86-L243 HydrophobicContact CD2-CD2 3.77Å; I89-L243 HydrophobicContact CD1-CB 3.66Å; I89-L243 HydrophobicContact CD1-CD1 4.2Å; I89-L243 HydrophobicContact CD1-CD2 3.88Å; I89-L243 HydrophobicContact CD1-CG 4.11Å; I89-L243 HydrophobicContact CG1-CB 4.22Å; A95-L243 HydrophobicContact CB-CD1 3.82Å; A95-L243 WeakPolarHBondContact O-CA 3.33Å; A124-L243 HydrophobicContact CB-CD2 4.31Å; V128-L243 HydrophobicContact CG2-CD2 4.36Å; L224-L243 WeakPolarHBondContact CA-O 3.43Å; I225-L243 HydrophobicContact CB-CB 4.31Å; I225-L243 PolarHBondContact N-O 3.12Å; I225-L243 PolarHBondContact O-N 3.45Å; L243-L245 HydrophobicContact CD1-CD2 3.93Å; L243-L245 HydrophobicContact CD1-CG 4.33Å; L243-L245 HydrophobicContact CD2-CD1 3.99Å; L243-L245 HydrophobicContact CD2-CD2 4.1Å; L243-L245 HydrophobicContact CD2-CG 4.1Å; L243-L245 HydrophobicContact CG-CD1 4.3Å; L243-L245 HydrophobicContact CG-CD2 4Å; L243-L245 HydrophobicContact CG-CG 3.91Å
244Y97Very high89Confident22 Ų2229.3 Ų29.39%0.08615%0.148CC..EExtended strand (participates in β ladder)trans-96.9124172.6-62.5-94.4000109.1A95 S96 V97 I222 L224 K242A95-Y244 PolarHBondContact O-N 3.15Å; S96-Y244 CarbonylContact C-O 3.41Å; S96-Y244 WeakPolarHBondContact CA-O 3.43Å; V97-Y244 PolarHBondContact N-O 2.95Å; I222-Y244 HydrophobicContact CG2-CD1 4.33Å; L224-Y244 HydrophobicContact CD1-CD1 4.23Å; L224-Y244 HydrophobicContact CD1-CE1 4.02Å; L224-Y244 HydrophobicContact CD1-CE2 4.39Å; K242-Y244 HydrophobicContact CB-CD2 4.39Å; K242-Y244 HydrophobicContact CB-CE2 3.72Å; K242-Y244 HydrophobicContact CD-CE2 4.23Å; K242-Y244 WeakPolarHBondContact CD-OH 3.44Å
245L97.8Very high87.9Confident1 Ų129.4 Ų29.41%0.00514%0.138CC..EExtended strand (participates in β ladder)trans-119.4110.8177.4-62.4170.2000107.9V97 M111 V120 I121 A124 L223 L243V97-L245 HydrophobicContact CB-CD2 3.99Å; V97-L245 HydrophobicContact CG2-CD2 4.05Å; M111-L245 HydrophobicContact CE-CB 4.05Å; V120-L245 HydrophobicContact CG1-CD2 4.21Å; I121-L245 HydrophobicContact CB-CD1 4.49Å; I121-L245 HydrophobicContact CG1-CB 3.97Å; I121-L245 HydrophobicContact CG1-CD1 4.05Å; A124-L245 HydrophobicContact CB-CD1 4.29Å; A124-L245 HydrophobicContact CB-CD2 4.41Å; L223-L245 HydrophobicContact CB-CB 4.27Å; L223-L245 HydrophobicContact CD2-CD1 4.08Å; L223-L245 PolarHBondContact N-O 2.92Å; L223-L245 PolarHBondContact O-N 2.88Å; L243-L245 HydrophobicContact CD1-CD2 3.93Å; L243-L245 HydrophobicContact CD1-CG 4.33Å; L243-L245 HydrophobicContact CD2-CD1 3.99Å; L243-L245 HydrophobicContact CD2-CD2 4.1Å; L243-L245 HydrophobicContact CD2-CG 4.1Å; L243-L245 HydrophobicContact CG-CD1 4.3Å; L243-L245 HydrophobicContact CG-CD2 4Å; L243-L245 HydrophobicContact CG-CG 3.91Å
246V96.8Very high86.5Confident0 Ų034.7 Ų34.70%015%0.151CC..EExtended strand (participates in β ladder)trans-123123.5-163.6-175.60000112V97 F98 A99 A221 I222 L248 L303V97-V246 PolarHBondContact O-N 2.79Å; F98-V246 WeakPolarHBondContact CA-O 3.34Å; F98-V246 HydrophobicContact CB-CB 3.74Å; F98-V246 HydrophobicContact CB-CG1 4.21Å; F98-V246 HydrophobicContact CB-CG2 4.38Å; A99-V246 PolarHBondContact N-O 2.93Å; A221-V246 WeakPolarHBondContact O-CA 3.46Å; I222-V246 HydrophobicContact CG1-CB 4.44Å; I222-V246 HydrophobicContact CG1-CG1 3.93Å; I222-V246 HydrophobicContact CG1-CG2 4.02Å; I222-V246 HydrophobicContact CG2-CG2 4.23Å; V246-L248 HydrophobicContact CG1-CD2 3.47Å; V246-L248 VanDerWaalsContact CG1-CD2 3.47Å; V246-L248 HydrophobicContact CG1-CG 3.95Å; V246-L303 HydrophobicContact CG2-CD2 4.28Å
247D95.1Very high85.1Confident4 Ų435.9 Ų35.92%0.02116%0.163CC..EExtended strand (participates in β ladder)trans-10899.6171.3179.949.4000107.8T108 M111 R205 H220 A221T108-D247 WeakPolarHBondContact CA-OD1 3.38Å; T108-D247 PolarHBondContact N-OD1 2.9Å; T108-D247 VanDerWaalsContact N-OD1 3.15Å; T108-D247 PolarHBondContact OG1-OD1 2.76Å; T108-D247 VanDerWaalsContact OG1-OD1 3.12Å; T108-D247 PolarHBondContact OG1-OD2 3.27Å; M111-D247 HydrophobicContact CB-CB 4.26Å; M111-D247 HydrophobicContact CG-CB 4.09Å; R205-D247 IonicContact CZ-OD2 2.71Å; R205-D247 VanDerWaalsContact CZ-OD2 3.31Å; R205-D247 IonicContact NH1-OD2 3.59Å; R205-D247 PolarHBondContact NH1-OD2 3.41Å; R205-D247 IonicContact NH2-OD2 2.69Å; R205-D247 PolarHBondContact NH2-OD2 3Å; H220-D247 CarbonylContact C-O 3.47Å; H220-D247 WeakPolarHBondContact CA-O 3.33Å; A221-D247 HydrophobicContact CB-CB 4.45Å; A221-D247 PolarHBondContact N-O 2.99Å; A221-D247 PolarHBondContact O-N 2.88Å
248L93.3Very high83.5Confident0 Ų034.8 Ų34.80%018%0.177CC..PPolyproline II helixtrans-75.3162.3-177.1-60.7175.4000111.9F98 A99 Y100 K107 H220 V246 L274 L277 L299F98-L248 HydrophobicContact CD2-CD1 4.33Å; A99-L248 VanDerWaalsContact O-CB 3.29Å; A99-L248 WeakPolarHBondContact O-CB 3.21Å; A99-L248 WeakPolarHBondContact O-CG 3.31Å; A99-L248 PolarHBondContact O-N 3.13Å; Y100-L248 HydrophobicContact CD2-CD1 3.83Å; Y100-L248 HydrophobicContact CG-CD1 4.49Å; K107-L248 WeakPolarHBondContact CE-O 3.47Å; H220-L248 HydrophobicContact CB-CD2 4.22Å; H220-L248 WeakPolarHBondContact ND1-CA 3.37Å; H220-L248 WeakPolarHBondContact ND1-CD2 3.24Å; V246-L248 HydrophobicContact CG1-CD2 3.47Å; V246-L248 VanDerWaalsContact CG1-CD2 3.47Å; V246-L248 HydrophobicContact CG1-CG 3.95Å; L248-L274 HydrophobicContact CD1-CD2 4.49Å; L248-L277 HydrophobicContact CD1-CD2 4.23Å; L248-L299 HydrophobicContact CD2-CD1 3.75Å; L248-L299 HydrophobicContact CD2-CD2 4.1Å
249A90.3Very high82Confident0 Ų033.1 Ų33.10%017%0.17CC..PPolyproline II helixtrans-66.2173.416900000112.6K107 S217 H220 I270K107-A249 VanDerWaalsContact CE-O 3.24Å; K107-A249 WeakPolarHBondContact CE-O 3.49Å; K107-A249 PolarHBondContact NZ-O 2.9Å; S217-A249 WeakPolarHBondContact O-CB 3.33Å; H220-A249 VanDerWaalsContact CE1-CB 3.45Å; H220-A249 WeakPolarHBondContact CE1-CB 3.38Å; H220-A249 PolarHBondContact ND1-N 2.89Å; A249-I270 HydrophobicContact CB-CG2 3.82Å
250G88.1Confident80.4Confident0 Ų040.2 Ų40.20%020%0.203CC..PPolyproline II helixtrans-60.2131.8173.400000113.4T103 S217 E252 L274T103-G250 WeakPolarHBondContact OG1-CA 3.47Å; S217-G250 PolarHBondContact O-N 2.94Å; G250-E252 VanDerWaalsContact C-OE2 3.22Å; G250-E252 WeakPolarHBondContact CA-OE2 3.23Å; G250-L274 WeakPolarHBondContact O-CD1 3.35Å
251S87.2Confident79.4Confident28 Ų2841.9 Ų41.920%0.19623%0.225CC..  trans-87.4-3.9177.368.30000114.6Y100 G101Y100-S251 WeakPolarHBondContact OH-CB 3.41Å; G101-S251 WeakPolarHBondContact CA-OG 3.49Å; G101-S251 PolarHBondContact O-N 3.33Å; G101-S251 PolarHBondContact O-OG 2.76Å
252E80.4Confident77.9Confident27 Ų2748.5 Ų48.513%0.12626%0.259CS..SBendtrans-65.3150.6174.366.2-77.1179.600112.5P102 T103 G250 N254P102-E252 VanDerWaalsContact CA-OE2 3.23Å; P102-E252 WeakPolarHBondContact CA-OE2 3.2Å; T103-E252 WeakPolarHBondContact CB-OE1 3.29Å; T103-E252 PolarHBondContact N-OE2 3.45Å; T103-E252 PolarHBondContact OG1-OE1 3.33Å; T103-E252 PolarHBondContact OG1-OE2 3.37Å; G250-E252 VanDerWaalsContact C-OE2 3.22Å; G250-E252 WeakPolarHBondContact CA-OE2 3.23Å; E252-N254 PolarHBondContact O-N 3.43Å; E252-N254 PolarHBondContact O-ND2 3.31Å
253D69.8Low76.5Confident62 Ų6252.4 Ų52.433%0.33227%0.273SS..  trans-7594.9173.7-172.60.6000111.1R255 R256 N271D253-R255 PolarHBondContact O-N 3.25Å; D253-R255 VanDerWaalsContact OD1-CB 3.23Å; D253-R255 WeakPolarHBondContact OD1-CB 3.33Å; D253-R255 VanDerWaalsContact OD1-CG 3.31Å; D253-R255 WeakPolarHBondContact OD1-CG 3.43Å; D253-R255 PolarHBondContact OD1-N 3.36Å; D253-R256 HydrophobicContact CB-CG 4.25Å; D253-R256 WeakPolarHBondContact O-CB 3.29Å; D253-R256 WeakPolarHBondContact O-CG 3.37Å; D253-R256 PolarHBondContact O-N 3.03Å; D253-N271 PolarHBondContact OD1-ND2 3.31Å
254N63.7Low75.2Confident7 Ų754.6 Ų54.64%0.03728%0.284CS..G310 helixtrans-51-20175.4-75.5-86000114.7E252 R256 T257 N271E252-N254 PolarHBondContact O-N 3.43Å; E252-N254 PolarHBondContact O-ND2 3.31Å; N254-R256 PolarHBondContact O-N 3.18Å; N254-T257 PolarHBondContact O-N 2.78Å; N254-T257 PolarHBondContact O-OG1 3.12Å; N254-N271 PolarHBondContact ND2-OD1 3.43Å; N254-N271 VanDerWaalsContact ND2-OD1 3.07Å
255R58.2Low73.9Confident139 Ų13961.3 Ų61.353%0.52531%0.314SS..G310 helixtrans-60.5-30.1171.4-68.7170.8156.6150-6.2113.2D253 T257 N816D253-R255 PolarHBondContact O-N 3.25Å; D253-R255 VanDerWaalsContact OD1-CB 3.23Å; D253-R255 WeakPolarHBondContact OD1-CB 3.33Å; D253-R255 VanDerWaalsContact OD1-CG 3.31Å; D253-R255 WeakPolarHBondContact OD1-CG 3.43Å; D253-R255 PolarHBondContact OD1-N 3.36Å; R255-T257 PolarHBondContact O-N 3.4Å; R255-N816 PolarHBondContact NE-OD1 3.24Å; R255-N816 PolarHBondContact NH2-OD1 3.15Å
256R57.8Low72.4Confident167 Ų16761.5 Ų61.563%0.6332%0.315SS*.G310 helixtrans-68.2-14.7-179.8-58.7179.678.3-173.85.7113D253 N254D253-R256 HydrophobicContact CB-CG 4.25Å; D253-R256 WeakPolarHBondContact O-CB 3.29Å; D253-R256 WeakPolarHBondContact O-CG 3.37Å; D253-R256 PolarHBondContact O-N 3.03Å; N254-R256 PolarHBondContact O-N 3.18Å
257T57.8Low71.1Confident83 Ų8361.6 Ų61.651%0.50932%0.315SS..G310 helixtrans-92.87.2-174.468.20000115N254 R255 N259N254-T257 PolarHBondContact O-N 2.78Å; N254-T257 PolarHBondContact O-OG1 3.12Å; R255-T257 PolarHBondContact O-N 3.4Å; T257-N259 VanDerWaalsContact C-N 3.27Å; T257-N259 PolarHBondContact O-N 3.25Å; T257-N259 VanDerWaalsContact OG1-CG 3.25Å; T257-N259 PolarHBondContact OG1-ND2 3.19Å; T257-N259 PolarHBondContact OG1-OD1 3.29Å
258G56.1Low70Confident61 Ų6163.4 Ų63.463%0.62934%0.335SS*.THydrogen-bonded Turntrans69.417.8174.600000115.4Q260G258-Q260 PolarHBondContact O-N 3.45Å
259N60.9Low69.1Low23 Ų2363.9 Ų63.912%0.12334%0.339CS..  trans-58.9126.8-175.8-75.1-30.9000113T257 R263 S267T257-N259 VanDerWaalsContact C-N 3.27Å; T257-N259 PolarHBondContact O-N 3.25Å; T257-N259 VanDerWaalsContact OG1-CG 3.25Å; T257-N259 PolarHBondContact OG1-ND2 3.19Å; T257-N259 PolarHBondContact OG1-OD1 3.29Å; N259-R263 HydrophobicContact CB-CB 3.88Å; N259-S267 PolarHBondContact ND2-OG 3.45Å
260Q58.7Low68.3Low167 Ų16764.1 Ų64.178%0.7834%0.34SS*.  trans-110.2162.5173.3-62.1-167.817.500112.6G258 I262 R263G258-Q260 PolarHBondContact O-N 3.45Å; Q260-I262 PolarHBondContact O-N 2.82Å; Q260-R263 PolarHBondContact O-N 3.08Å
261G71.6Confident67.9Low57 Ų5765.7 Ų65.759%0.58835%0.349SS*.THydrogen-bonded Turntrans61.7-130.1171.400000113.9R263 L264G261-R263 VanDerWaalsContact C-N 3.29Å; G261-R263 PolarHBondContact O-N 3.02Å; G261-L264 WeakPolarHBondContact O-CB 3.39Å; G261-L264 PolarHBondContact O-N 2.86Å; G261-L264 VanDerWaalsContact O-N 3.12Å
262I64.5Low67.9Low139 Ų13968.1 Ų68.171%0.71336%0.359SS*.Hα-helixtrans-60.8-38.4-178.2-61.6174.9000111.2Q260 L264 K265 E266Q260-I262 PolarHBondContact O-N 2.82Å; I262-L264 PolarHBondContact O-N 3.44Å; I262-K265 PolarHBondContact O-N 3.1Å; I262-K265 VanDerWaalsContact O-N 3.13Å; I262-E266 WeakPolarHBondContact O-CB 3.44Å; I262-E266 PolarHBondContact O-N 3.35Å
263R64.8Low68.4Low114 Ų11467 Ų6743%0.4335%0.354SS..Hα-helixtrans-60.1-28.7177.4-68.4-178.7172.9146.10.2112.5N213 N259 Q260 G261 S267N213-R263 VanDerWaalsContact OD1-CZ 3.26Å; N213-R263 PolarHBondContact OD1-NE 3.48Å; N213-R263 PolarHBondContact OD1-NH2 2.9Å; N259-R263 HydrophobicContact CB-CB 3.88Å; Q260-R263 PolarHBondContact O-N 3.08Å; G261-R263 VanDerWaalsContact C-N 3.29Å; G261-R263 PolarHBondContact O-N 3.02Å; R263-S267 VanDerWaalsContact O-CB 3.29Å; R263-S267 WeakPolarHBondContact O-CB 3.37Å; R263-S267 PolarHBondContact O-N 3.35Å; R263-S267 PolarHBondContact O-OG 3.49Å
264L69.9Low69.3Low46 Ų4664.6 Ų64.624%0.24134%0.341CS..Hα-helixtrans-74.7-37.1177.7-171.355.8000112.2G261 I262 G268 E819G261-L264 WeakPolarHBondContact O-CB 3.39Å; G261-L264 PolarHBondContact O-N 2.86Å; G261-L264 VanDerWaalsContact O-N 3.12Å; I262-L264 PolarHBondContact O-N 3.44Å; L264-G268 PolarHBondContact O-N 3.29Å; L264-E819 HydrophobicContact CD2-CB 3.99Å; L264-E819 HydrophobicContact CD2-CG 4.18Å
265K69.6Low70.6Confident162 Ų16270 Ų7070%0.70437%0.365SS*.Hα-helixtrans-67.4-43.7173.1-65.3-175.6178.2-179.10111.3I262 G268 A269I262-K265 PolarHBondContact O-N 3.1Å; I262-K265 VanDerWaalsContact O-N 3.13Å; K265-G268 PolarHBondContact O-N 2.89Å; K265-A269 PolarHBondContact O-N 3.4Å
266E65.4Low72.3Confident5 Ų563.5 Ų63.52%0.02334%0.34CS..Hα-helixtrans-55.7-51.9172.4-173.7-174.4-161.300111Y153 R218 I262 G268 A269 I270Y153-E266 HydrophobicContact CE2-CG 3.93Å; Y153-E266 WeakPolarHBondContact CE2-OE1 3.44Å; Y153-E266 PolarHBondContact OH-OE1 2.73Å; R218-E266 HydrophobicContact CB-CG 4.49Å; R218-E266 WeakPolarHBondContact CD-OE1 3.43Å; R218-E266 IonicContact CZ-OE2 2.79Å; R218-E266 IonicContact NH1-OE1 3.76Å; R218-E266 IonicContact NH1-OE2 2.74Å; R218-E266 PolarHBondContact NH1-OE2 2.79Å; I262-E266 WeakPolarHBondContact O-CB 3.44Å; I262-E266 PolarHBondContact O-N 3.35Å; E266-G268 VanDerWaalsContact C-N 3.32Å; E266-G268 PolarHBondContact O-N 3.21Å; E266-A269 PolarHBondContact O-N 2.86Å; E266-A269 VanDerWaalsContact O-N 3.17Å; E266-I270 HydrophobicContact CG-CD1 4.21Å; E266-I270 WeakPolarHBondContact O-CD1 3.41Å; E266-I270 WeakPolarHBondContact O-CG1 3.36Å; E266-I270 PolarHBondContact O-N 3Å
267S70.8Confident74.1Confident2 Ų255.6 Ų55.61%0.01431%0.31CS..Hα-helixtrans-54.3-44.8173.3-59.90000112.5N259 R263 A269 I270 N271N259-S267 PolarHBondContact ND2-OG 3.45Å; R263-S267 VanDerWaalsContact O-CB 3.29Å; R263-S267 WeakPolarHBondContact O-CB 3.37Å; R263-S267 PolarHBondContact O-N 3.35Å; R263-S267 PolarHBondContact O-OG 3.49Å; S267-A269 VanDerWaalsContact C-N 3.34Å; S267-A269 PolarHBondContact O-N 2.77Å; S267-I270 PolarHBondContact O-N 2.95Å; S267-N271 VanDerWaalsContact O-CB 3.31Å; S267-N271 WeakPolarHBondContact O-CB 3.41Å; S267-N271 VanDerWaalsContact O-CG 3.25Å; S267-N271 PolarHBondContact O-N 3.1Å; S267-N271 PolarHBondContact O-OD1 3.48Å
268G72.1Confident75.8Confident42 Ų4253.1 Ų53.143%0.43330%0.297SS..Hα-helixtrans-61-39.6178.400000113.3L264 K265 E266 L272L264-G268 PolarHBondContact O-N 3.29Å; K265-G268 PolarHBondContact O-N 2.89Å; E266-G268 VanDerWaalsContact C-N 3.32Å; E266-G268 PolarHBondContact O-N 3.21Å; G268-L272 WeakPolarHBondContact O-CB 3.27Å; G268-L272 PolarHBondContact O-N 3.08Å
269A73.2Confident77.7Confident11 Ų1154.4 Ų54.49%0.09129%0.285CS..Hα-helixtrans-74.1-39.9178.500000113N154 K265 E266 S267 L272 S273N154-A269 WeakPolarHBondContact OD1-CB 3.36Å; K265-A269 PolarHBondContact O-N 3.4Å; E266-A269 PolarHBondContact O-N 2.86Å; E266-A269 VanDerWaalsContact O-N 3.17Å; S267-A269 VanDerWaalsContact C-N 3.34Å; S267-A269 PolarHBondContact O-N 2.77Å; A269-L272 PolarHBondContact O-N 2.78Å; A269-S273 PolarHBondContact O-N 2.99Å; A269-S273 PolarHBondContact O-OG 3.44Å
270I74.8Confident79.3Confident5 Ų553.3 Ų53.33%0.02628%0.279CS..Hα-helixtrans-59.3-55.7173.5-61.7154.5000109.3R218 A249 E266 S267 L272 S273 L274R218-I270 HydrophobicContact CB-CD1 3.57Å; R218-I270 HydrophobicContact CB-CG1 4.36Å; R218-I270 HydrophobicContact CG-CD1 3.62Å; R218-I270 WeakPolarHBondContact O-CG1 3.38Å; A249-I270 HydrophobicContact CB-CG2 3.82Å; E266-I270 HydrophobicContact CG-CD1 4.21Å; E266-I270 WeakPolarHBondContact O-CD1 3.41Å; E266-I270 WeakPolarHBondContact O-CG1 3.36Å; E266-I270 PolarHBondContact O-N 3Å; S267-I270 PolarHBondContact O-N 2.95Å; I270-L272 VanDerWaalsContact C-N 3.28Å; I270-L272 PolarHBondContact O-N 2.95Å; I270-S273 PolarHBondContact O-N 2.9Å; I270-S273 VanDerWaalsContact O-N 3.1Å; I270-S273 PolarHBondContact O-OG 3.2Å; I270-L274 PolarHBondContact O-N 3.14Å; I270-L274 VanDerWaalsContact O-N 3.15Å
271N79.5Confident81.1Confident33 Ų3345.4 Ų45.418%0.17624%0.242CC..Hα-helixtrans-62-36.3-178.3-68.717.5000111.3D253 N254 S267 F275D253-N271 PolarHBondContact OD1-ND2 3.31Å; N254-N271 PolarHBondContact ND2-OD1 3.43Å; N254-N271 VanDerWaalsContact ND2-OD1 3.07Å; S267-N271 VanDerWaalsContact O-CB 3.31Å; S267-N271 WeakPolarHBondContact O-CB 3.41Å; S267-N271 VanDerWaalsContact O-CG 3.25Å; S267-N271 PolarHBondContact O-N 3.1Å; S267-N271 PolarHBondContact O-OD1 3.48Å; N271-F275 WeakPolarHBondContact O-CB 3.27Å; N271-F275 PolarHBondContact O-N 2.68Å
272L86.2Confident82.2Confident78 Ų7845.9 Ų45.941%0.40823%0.232SC..Hα-helixtrans-59.1-50.3172.2173.662.6000111.7E155 G268 A269 I270 L274 F275 T276E155-L272 HydrophobicContact CG-CD2 4.46Å; G268-L272 WeakPolarHBondContact O-CB 3.27Å; G268-L272 PolarHBondContact O-N 3.08Å; A269-L272 PolarHBondContact O-N 2.78Å; I270-L272 VanDerWaalsContact C-N 3.28Å; I270-L272 PolarHBondContact O-N 2.95Å; L272-L274 PolarHBondContact O-N 3.29Å; L272-F275 PolarHBondContact O-N 2.95Å; L272-T276 WeakPolarHBondContact O-CB 3.24Å; L272-T276 PolarHBondContact O-N 3.29Å; L272-T276 PolarHBondContact O-OG1 2.84Å; L272-T276 VanDerWaalsContact O-OG1 3.11Å
273S90.7Very high83.6Confident3 Ų340 Ų402%0.02120%0.203CC..Hα-helixtrans-61.9-41-176.466.70000112.9H220 A269 I270 L277 S297H220-S273 PolarHBondContact NE2-OG 3.46Å; A269-S273 PolarHBondContact O-N 2.99Å; A269-S273 PolarHBondContact O-OG 3.44Å; I270-S273 PolarHBondContact O-N 2.9Å; I270-S273 VanDerWaalsContact O-N 3.1Å; I270-S273 PolarHBondContact O-OG 3.2Å; S273-L277 PolarHBondContact O-N 3.15Å; S273-S297 WeakPolarHBondContact CA-OG 3.37Å; S273-S297 WeakPolarHBondContact CB-OG 3.24Å
274L90.1Very high85Confident12 Ų1236.4 Ų36.46%0.06319%0.193CC..Hα-helixtrans-81.5-30.7178.6-65.3179.8000113.2Y100 L248 G250 I270 L272 L277 S278 L299Y100-L274 HydrophobicContact CE2-CD2 4.32Å; L248-L274 HydrophobicContact CD1-CD2 4.49Å; G250-L274 WeakPolarHBondContact O-CD1 3.35Å; I270-L274 PolarHBondContact O-N 3.14Å; I270-L274 VanDerWaalsContact O-N 3.15Å; L272-L274 PolarHBondContact O-N 3.29Å; L274-L277 HydrophobicContact CD2-CD2 3.97Å; L274-L277 WeakPolarHBondContact O-CB 3.39Å; L274-L277 PolarHBondContact O-N 2.83Å; L274-S278 PolarHBondContact O-N 2.88Å; L274-S278 PolarHBondContact O-OG 2.91Å; L274-L299 HydrophobicContact CD2-CD2 3.99Å
275F90.8Very high86.1Confident122 Ų12236.8 Ų36.854%0.53520%0.195SC..Hα-helixtrans-65.7-39.6170.2176.4-122.1000111.6N271 L272 L277 S278 K279N271-F275 WeakPolarHBondContact O-CB 3.27Å; N271-F275 PolarHBondContact O-N 2.68Å; L272-F275 PolarHBondContact O-N 2.95Å; F275-L277 VanDerWaalsContact C-N 3.34Å; F275-S278 PolarHBondContact O-N 3.1Å; F275-K279 HydrophobicContact CE1-CD 4.33Å; F275-K279 VanDerWaalsContact CE1-CE 3.42Å; F275-K279 PolarHBondContact O-N 3.23Å
276T93.7Very high87.1Confident1 Ų131.9 Ų31.91%0.00618%0.181CC..Hα-helixtrans-66.5-35.6172-66.20000111.6L272 K279 V280 D296 T300L272-T276 WeakPolarHBondContact O-CB 3.24Å; L272-T276 PolarHBondContact O-N 3.29Å; L272-T276 PolarHBondContact O-OG1 2.84Å; L272-T276 VanDerWaalsContact O-OG1 3.11Å; T276-K279 WeakPolarHBondContact O-CB 3.35Å; T276-K279 PolarHBondContact O-N 2.96Å; T276-V280 WeakPolarHBondContact O-CG2 3.47Å; T276-V280 PolarHBondContact O-N 3.29Å; T276-D296 HydrophobicContact CG2-CB 3.66Å; T276-T300 HydrophobicContact CG2-CG2 3.9Å; T276-T300 WeakPolarHBondContact CG2-OG1 3.47Å
277L94.8Very high87.8Confident1 Ų135 Ų351%0.00521%0.214CC..Hα-helixtrans-59.4-47.2170.7-168.967.4000111.5Y100 L248 S273 L274 F275 K279 V280 V281 T300 L303 L307 F335Y100-L277 HydrophobicContact CD2-CD2 4.43Å; Y100-L277 HydrophobicContact CE2-CD2 4.45Å; L248-L277 HydrophobicContact CD1-CD2 4.23Å; S273-L277 PolarHBondContact O-N 3.15Å; L274-L277 HydrophobicContact CD2-CD2 3.97Å; L274-L277 WeakPolarHBondContact O-CB 3.39Å; L274-L277 PolarHBondContact O-N 2.83Å; F275-L277 VanDerWaalsContact C-N 3.34Å; L277-K279 PolarHBondContact O-N 3.04Å; L277-V280 WeakPolarHBondContact O-CB 3.31Å; L277-V280 PolarHBondContact O-N 3.27Å; L277-V280 VanDerWaalsContact O-N 3.14Å; L277-V281 PolarHBondContact O-N 3.24Å; L277-T300 HydrophobicContact CB-CG2 4.14Å; L277-T300 HydrophobicContact CD1-CG2 3.87Å; L277-L303 HydrophobicContact CD1-CD1 3.75Å; L277-L307 HydrophobicContact CD1-CD1 3.58Å; L277-F335 HydrophobicContact CD2-CE1 4.4Å; L277-F335 HydrophobicContact CD2-CZ 3.94Å; L277-F335 HydrophobicContact CG-CZ 3.95Å
278S94.1Very high88.2Confident32 Ų3240.7 Ų40.722%0.22425%0.249CC..Hα-helixtrans-58.5-43.6173.7-61.60000112.9L274 F275 V280 V281 D282L274-S278 PolarHBondContact O-N 2.88Å; L274-S278 PolarHBondContact O-OG 2.91Å; F275-S278 PolarHBondContact O-N 3.1Å; S278-V280 VanDerWaalsContact C-N 3.32Å; S278-V280 PolarHBondContact O-N 3.38Å; S278-V281 PolarHBondContact O-N 2.72Å; S278-D282 PolarHBondContact O-N 2.73Å
279K94.6Very high88.6Confident87 Ų8740.3 Ų40.338%0.37824%0.242SC..Hα-helixtrans-60.7-37.4173.8-75.1175.9168.3-179.70113.3F275 T276 L277 A283 P293F275-K279 HydrophobicContact CE1-CD 4.33Å; F275-K279 VanDerWaalsContact CE1-CE 3.42Å; F275-K279 PolarHBondContact O-N 3.23Å; T276-K279 WeakPolarHBondContact O-CB 3.35Å; T276-K279 PolarHBondContact O-N 2.96Å; L277-K279 PolarHBondContact O-N 3.04Å; K279-A283 WeakPolarHBondContact O-CB 3.25Å; K279-A283 PolarHBondContact O-N 3.11Å; K279-P293 HydrophobicContact CB-CG 4Å
280V96.1Very high88.9Confident1 Ų145.3 Ų45.31%0.00628%0.283CS..Hα-helixtrans-65.7-44.6176.5162.50000110.6T276 L277 S278 A283 L284 I292 P293 Y294 T300 L307T276-V280 WeakPolarHBondContact O-CG2 3.47Å; T276-V280 PolarHBondContact O-N 3.29Å; L277-V280 WeakPolarHBondContact O-CB 3.31Å; L277-V280 PolarHBondContact O-N 3.27Å; L277-V280 VanDerWaalsContact O-N 3.14Å; S278-V280 VanDerWaalsContact C-N 3.32Å; S278-V280 PolarHBondContact O-N 3.38Å; V280-A283 PolarHBondContact O-N 3.24Å; V280-L284 HydrophobicContact CG1-CD1 3.9Å; V280-L284 WeakPolarHBondContact O-CB 3.5Å; V280-L284 VanDerWaalsContact O-CG 3.27Å; V280-L284 WeakPolarHBondContact O-CG 3.44Å; V280-L284 PolarHBondContact O-N 2.97Å; V280-I292 HydrophobicContact CB-CG2 4.3Å; V280-I292 HydrophobicContact CG1-CG2 3.94Å; V280-I292 HydrophobicContact CG2-CG2 4.09Å; V280-P293 HydrophobicContact CG2-CG 4Å; V280-Y294 HydrophobicContact CG1-CD1 3.86Å; V280-Y294 HydrophobicContact CG1-CE1 3.43Å; V280-Y294 VanDerWaalsContact CG1-CE1 3.43Å; V280-Y294 HydrophobicContact CG2-CD1 4.02Å; V280-Y294 HydrophobicContact CG2-CE1 4.4Å; V280-T300 HydrophobicContact CB-CG2 4.42Å; V280-T300 HydrophobicContact CG2-CG2 3.88Å; V280-L307 HydrophobicContact CG1-CB 4.49Å; V280-L307 HydrophobicContact CG1-CD1 4.37Å
281V95.4Very high89.7Confident0 Ų052.3 Ų52.30%031%0.309CS..Hα-helixtrans-61.2-48175170.20000111.5L277 S278 A283 L284 N285 L307 F335 K338 I342L277-V281 PolarHBondContact O-N 3.24Å; S278-V281 PolarHBondContact O-N 2.72Å; V281-A283 PolarHBondContact O-N 3.04Å; V281-L284 PolarHBondContact O-N 2.71Å; V281-N285 WeakPolarHBondContact O-CB 3.45Å; V281-N285 VanDerWaalsContact O-CG 3.3Å; V281-N285 PolarHBondContact O-N 3.47Å; V281-L307 HydrophobicContact CG2-CD1 4.4Å; V281-F335 HydrophobicContact CB-CE2 3.95Å; V281-F335 HydrophobicContact CG1-CE2 4.33Å; V281-F335 HydrophobicContact CG2-CE2 3.46Å; V281-F335 VanDerWaalsContact CG2-CE2 3.46Å; V281-F335 HydrophobicContact CG2-CZ 3.73Å; V281-K338 HydrophobicContact CG1-CB 3.71Å; V281-I342 HydrophobicContact CB-CD1 4.2Å; V281-I342 HydrophobicContact CG1-CD1 4.05Å; V281-I342 HydrophobicContact CG2-CD1 3.77Å
282D94.5Very high90.3Very high68 Ų6852.3 Ų52.336%0.36431%0.309SS..Hα-helixtrans-64.2-40.7179.4-76.9-29.5000112.6S278 N285 S286 K338S278-D282 PolarHBondContact O-N 2.73Å; D282-N285 PolarHBondContact O-N 2.77Å; D282-S286 WeakPolarHBondContact O-CB 3.43Å; D282-S286 PolarHBondContact O-N 2.98Å; D282-K338 VanDerWaalsContact OD1-CD 3.31Å; D282-K338 WeakPolarHBondContact OD1-CD 3.08Å; D282-K338 WeakPolarHBondContact OD1-CE 3.12Å; D282-K338 IonicContact OD1-NZ 3.51Å; D282-K338 PolarHBondContact OD1-NZ 2.8Å; D282-K338 IonicContact OD2-NZ 2.68Å; D282-K338 PolarHBondContact OD2-NZ 3.16Å
283A95.1Very high90.7Very high14 Ų1449.6 Ų49.612%0.11630%0.296CS..Hα-helixtrans-69.7-31.5176.700000113.4K279 V280 V281 A289 I292K279-A283 WeakPolarHBondContact O-CB 3.25Å; K279-A283 PolarHBondContact O-N 3.11Å; V280-A283 PolarHBondContact O-N 3.24Å; V281-A283 PolarHBondContact O-N 3.04Å; A283-A289 HydrophobicContact CB-CB 3.74Å; A283-I292 HydrophobicContact CB-CD1 3.8Å; A283-I292 WeakPolarHBondContact O-CD1 3.42Å
284L94.2Very high90.8Very high40 Ų4050.7 Ų50.721%0.20930%0.3CS..Hα-helixtrans-69.8-43.3173.6-79.6168.4000111.4V280 V281 I292 L307 I342V280-L284 HydrophobicContact CG1-CD1 3.9Å; V280-L284 WeakPolarHBondContact O-CB 3.5Å; V280-L284 VanDerWaalsContact O-CG 3.27Å; V280-L284 WeakPolarHBondContact O-CG 3.44Å; V280-L284 PolarHBondContact O-N 2.97Å; V281-L284 PolarHBondContact O-N 2.71Å; L284-I292 HydrophobicContact CD2-CD1 4.07Å; L284-I292 HydrophobicContact CD2-CG1 4.1Å; L284-I292 HydrophobicContact CG-CD1 4.22Å; L284-I292 HydrophobicContact CG-CG1 4.49Å; L284-I292 HydrophobicContact CG-CG2 4.25Å; L284-L307 HydrophobicContact CD1-CB 3.94Å; L284-I342 HydrophobicContact CB-CG1 4.38Å; L284-I342 HydrophobicContact CD1-CD1 4.18Å; L284-I342 HydrophobicContact CD1-CG1 4.46Å; L284-I342 HydrophobicContact CD1-CG2 4.06Å
285N93.4Very high91Very high53 Ų5356.6 Ų56.628%0.28332%0.321SS..Hα-helixtrans-73.2-29.2-179.1-71.1-11.7000113.2V281 D282 G287 K338 I342V281-N285 WeakPolarHBondContact O-CB 3.45Å; V281-N285 VanDerWaalsContact O-CG 3.3Å; V281-N285 PolarHBondContact O-N 3.47Å; D282-N285 PolarHBondContact O-N 2.77Å; N285-G287 VanDerWaalsContact C-N 3.3Å; N285-G287 PolarHBondContact O-N 3.21Å; N285-K338 PolarHBondContact ND2-O 3.49Å; N285-I342 WeakPolarHBondContact OD1-CG1 3.44Å
286S89.7Confident91.1Very high60 Ų6054.7 Ų54.742%0.4232%0.317SS..Hα-helixtrans-71.3-24.7178.890.10000113.1D282 T288D282-S286 WeakPolarHBondContact O-CB 3.43Å; D282-S286 PolarHBondContact O-N 2.98Å; S286-T288 WeakPolarHBondContact CB-OG1 3.38Å; S286-T288 PolarHBondContact O-N 2.79Å; S286-T288 PolarHBondContact O-OG1 3.23Å; S286-T288 PolarHBondContact OG-N 3.36Å; S286-T288 PolarHBondContact OG-OG1 3.12Å
287G80.3Confident91.1Very high70 Ų7054.8 Ų54.872%0.72232%0.317SS*.SBendtrans65.7-23.3-17600000115.6N285N285-G287 VanDerWaalsContact C-N 3.3Å; N285-G287 PolarHBondContact O-N 3.21Å
288T79.3Confident91.1Very high122 Ų12256.7 Ų56.775%0.74833%0.326SS*.  trans-83.3-12.9-176.948.50000114.3S286 A290S286-T288 WeakPolarHBondContact CB-OG1 3.38Å; S286-T288 PolarHBondContact O-N 2.79Å; S286-T288 PolarHBondContact O-OG1 3.23Å; S286-T288 PolarHBondContact OG-N 3.36Å; S286-T288 PolarHBondContact OG-OG1 3.12Å; T288-A290 PolarHBondContact O-N 3Å
289A79.3Confident91.1Very high34 Ų3455.2 Ų55.228%0.28132%0.315SS..  trans-72.4101.2-178.600000111.4A283 R291 I292A283-A289 HydrophobicContact CB-CB 3.74Å; A289-R291 PolarHBondContact O-N 2.72Å; A289-I292 HydrophobicContact CB-CD1 4.17Å
290A81.2Confident91.1Very high115 Ų11551.1 Ų51.195%0.9530%0.297SS*.SBendtrans-54.5-17.3178.200000114.6T288T288-A290 PolarHBondContact O-N 3Å
291R89.8Confident90.9Very high153 Ų15353.2 Ų53.258%0.57731%0.305SS*.SBendtrans-148.5123.1171.6176.4178171.369.215.2110.7A289A289-R291 PolarHBondContact O-N 2.72Å
292I93.4Very high90.8Very high33 Ų3353.9 Ų53.917%0.16931%0.309CS..  trans-75.1132.7170.7-48.5-57.9000109.8V280 A283 L284 A289 Y294V280-I292 HydrophobicContact CB-CG2 4.3Å; V280-I292 HydrophobicContact CG1-CG2 3.94Å; V280-I292 HydrophobicContact CG2-CG2 4.09Å; A283-I292 HydrophobicContact CB-CD1 3.8Å; A283-I292 WeakPolarHBondContact O-CD1 3.42Å; L284-I292 HydrophobicContact CD2-CD1 4.07Å; L284-I292 HydrophobicContact CD2-CG1 4.1Å; L284-I292 HydrophobicContact CG-CD1 4.22Å; L284-I292 HydrophobicContact CG-CG1 4.49Å; L284-I292 HydrophobicContact CG-CG2 4.25Å; A289-I292 HydrophobicContact CB-CD1 4.17Å; I292-Y294 HydrophobicContact CB-CD2 3.85Å; I292-Y294 HydrophobicContact CB-CE2 3.5Å; I292-Y294 HydrophobicContact CG1-CE2 4.13Å; I292-Y294 HydrophobicContact CG2-CD1 4.23Å; I292-Y294 HydrophobicContact CG2-CD2 3.85Å; I292-Y294 HydrophobicContact CG2-CE1 3.87Å; I292-Y294 HydrophobicContact CG2-CE2 3.47Å; I292-Y294 VanDerWaalsContact CG2-CE2 3.47Å; I292-Y294 HydrophobicContact CG2-CG 4.2Å; I292-Y294 VanDerWaalsContact CG2-CZ 3.46Å; I292-Y294 PolarHBondContact O-N 2.68Å
293P94.2Very high90.7Very high20 Ų2050.8 Ų50.813%0.1329%0.292CS..  trans-79.839.8-171.331.9-36000114.8K279 V280 R295 D296K279-P293 HydrophobicContact CB-CG 4Å; V280-P293 HydrophobicContact CG2-CG 4Å; P293-R295 PolarHBondContact O-N 3.37Å; P293-D296 HydrophobicContact CB-CB 4.48Å; P293-D296 WeakPolarHBondContact O-CB 3.3Å; P293-D296 PolarHBondContact O-N 3.25Å; P293-D296 VanDerWaalsContact O-N 3.16Å
294Y93.8Very high90.5Very high27 Ų2751.9 Ų51.911%0.10630%0.295CS..G310 helixtrans-55.3-28.7-178.9-64-66.5000114.2V280 I292 D296 T300 R301 Q304 L307V280-Y294 HydrophobicContact CG1-CD1 3.86Å; V280-Y294 HydrophobicContact CG1-CE1 3.43Å; V280-Y294 VanDerWaalsContact CG1-CE1 3.43Å; V280-Y294 HydrophobicContact CG2-CD1 4.02Å; V280-Y294 HydrophobicContact CG2-CE1 4.4Å; I292-Y294 HydrophobicContact CB-CD2 3.85Å; I292-Y294 HydrophobicContact CB-CE2 3.5Å; I292-Y294 HydrophobicContact CG1-CE2 4.13Å; I292-Y294 HydrophobicContact CG2-CD1 4.23Å; I292-Y294 HydrophobicContact CG2-CD2 3.85Å; I292-Y294 HydrophobicContact CG2-CE1 3.87Å; I292-Y294 HydrophobicContact CG2-CE2 3.47Å; I292-Y294 VanDerWaalsContact CG2-CE2 3.47Å; I292-Y294 HydrophobicContact CG2-CG 4.2Å; I292-Y294 VanDerWaalsContact CG2-CZ 3.46Å; I292-Y294 PolarHBondContact O-N 2.68Å; Y294-D296 VanDerWaalsContact C-N 3.33Å; Y294-D296 PolarHBondContact O-N 3.49Å; Y294-T300 WeakPolarHBondContact CD1-O 3.1Å; Y294-T300 CarbonylContact O-C 3.55Å; Y294-T300 VanDerWaalsContact O-C 3.31Å; Y294-T300 WeakPolarHBondContact O-CB 3.22Å; Y294-T300 PolarHBondContact O-OG1 3Å; Y294-R301 WeakPolarHBondContact O-CG 3.23Å; Y294-R301 PolarHBondContact O-N 2.57Å; Y294-R301 VanDerWaalsContact O-N 3.09Å; Y294-Q304 HydrophobicContact CD1-CB 3.97Å; Y294-Q304 HydrophobicContact CD1-CG 4.02Å; Y294-Q304 HydrophobicContact CD2-CG 3.77Å; Y294-Q304 HydrophobicContact CE1-CB 4.32Å; Y294-Q304 HydrophobicContact CE1-CG 4.21Å; Y294-Q304 HydrophobicContact CE2-CG 3.94Å; Y294-Q304 HydrophobicContact CG-CB 4.12Å; Y294-Q304 HydrophobicContact CG-CG 3.82Å; Y294-L307 PolarHBondContact OH-O 3.5Å
295R92.8Very high90.2Very high135 Ų13550.9 Ų50.951%0.50929%0.29SS..G310 helixtrans-82.5-5-175.2-66.6-167.6-177.5170.4-1.4114.6E172 P293 S297 R301E172-R295 IonicContact OE1-NH2 2.71Å; E172-R295 IonicContact OE2-CZ 3.72Å; E172-R295 IonicContact OE2-NE 3.17Å; E172-R295 IonicContact OE2-NH2 2.77Å; E172-R295 PolarHBondContact OE2-NH2 2.89Å; P293-R295 PolarHBondContact O-N 3.37Å; R295-S297 VanDerWaalsContact C-N 3.28Å; R295-S297 PolarHBondContact O-N 3.37Å; R295-R301 HydrophobicContact CB-CG 4.5Å; R295-R301 HydrophobicContact CG-CG 4.34Å
296D92.8Very high90.2Very high83 Ų8348.4 Ų48.444%0.44428%0.276SS..G310 helixtrans-82.6-5.6-173.1-61.123.9000112.9T276 P293 Y294T276-D296 HydrophobicContact CG2-CB 3.66Å; P293-D296 HydrophobicContact CB-CB 4.48Å; P293-D296 WeakPolarHBondContact O-CB 3.3Å; P293-D296 PolarHBondContact O-N 3.25Å; P293-D296 VanDerWaalsContact O-N 3.16Å; Y294-D296 VanDerWaalsContact C-N 3.33Å; Y294-D296 PolarHBondContact O-N 3.49Å
297S94.5Very high90.3Very high3 Ų345.6 Ų45.62%0.02126%0.256CS..SBendtrans-149.9147.4167.6166.70000109.7E155 S273 R295 L299 T300 R301E155-S297 WeakPolarHBondContact OE1-CB 3.23Å; E155-S297 PolarHBondContact OE1-OG 3.11Å; S273-S297 WeakPolarHBondContact CA-OG 3.37Å; S273-S297 WeakPolarHBondContact CB-OG 3.24Å; R295-S297 VanDerWaalsContact C-N 3.28Å; R295-S297 PolarHBondContact O-N 3.37Å; S297-L299 PolarHBondContact O-N 3.13Å; S297-L299 PolarHBondContact OG-N 2.79Å; S297-L299 VanDerWaalsContact OG-N 3.12Å; S297-T300 PolarHBondContact O-N 3.07Å; S297-T300 PolarHBondContact O-OG1 2.66Å; S297-T300 VanDerWaalsContact O-OG1 3.08Å; S297-R301 WeakPolarHBondContact O-CG 3.33Å; S297-R301 PolarHBondContact O-N 2.98Å
298K93.8Very high90.8Very high41 Ų4143.8 Ų43.818%0.17824%0.238CC..Hα-helixtrans-60.1-31.2172.1-72.1-167.7-172.6158.80112.2I152 E155 V157 D167 I170 R301 L302I152-K298 HydrophobicContact CD1-CB 4.44Å; E155-K298 VanDerWaalsContact O-CD 3.28Å; E155-K298 WeakPolarHBondContact O-CD 3.46Å; E155-K298 WeakPolarHBondContact O-CE 3.2Å; E155-K298 PolarHBondContact O-NZ 2.86Å; E155-K298 WeakPolarHBondContact OE2-CB 3.49Å; E155-K298 WeakPolarHBondContact OE2-CG 3.49Å; E155-K298 PolarHBondContact OE2-N 2.79Å; V157-K298 HydrophobicContact CG2-CB 4.49Å; V157-K298 HydrophobicContact CG2-CD 3.85Å; D167-K298 IonicContact OD1-NZ 3.91Å; D167-K298 PolarHBondContact OD1-NZ 2.91Å; D167-K298 IonicContact OD2-NZ 3.55Å; D167-K298 PolarHBondContact OD2-NZ 3.05Å; I170-K298 HydrophobicContact CD1-CB 3.61Å; I170-K298 HydrophobicContact CD1-CD 4.17Å; I170-K298 HydrophobicContact CD1-CG 3.84Å; I170-K298 WeakPolarHBondContact CD1-O 2.88Å; K298-R301 PolarHBondContact O-N 2.84Å; K298-L302 PolarHBondContact O-N 3.3Å
299L94.1Very high91.3Very high0 Ų038.6 Ų38.60%021%0.209CC..Hα-helixtrans-61.1-53.3176.5177.566.2000111.4I152 H220 L248 L274 S297 R301 L302 L303I152-L299 HydrophobicContact CD1-CB 4.12Å; I152-L299 HydrophobicContact CD1-CD1 4.21Å; H220-L299 HydrophobicContact CB-CD1 4.09Å; L248-L299 HydrophobicContact CD2-CD1 3.75Å; L248-L299 HydrophobicContact CD2-CD2 4.1Å; L274-L299 HydrophobicContact CD2-CD2 3.99Å; S297-L299 PolarHBondContact O-N 3.13Å; S297-L299 PolarHBondContact OG-N 2.79Å; S297-L299 VanDerWaalsContact OG-N 3.12Å; L299-R301 PolarHBondContact O-N 3.38Å; L299-L302 PolarHBondContact O-N 2.88Å; L299-L303 HydrophobicContact CD1-CD1 3.87Å; L299-L303 HydrophobicContact CD1-CG 4.24Å; L299-L303 HydrophobicContact CG-CD1 3.95Å; L299-L303 PolarHBondContact O-N 3.03Å
300T94.6Very high91.9Very high1 Ų137.2 Ų37.21%0.00620%0.197CC..Hα-helixtrans-68.5-21.8-178.646.90000113.2T276 L277 V280 Y294 S297 Q304T276-T300 HydrophobicContact CG2-CG2 3.9Å; T276-T300 WeakPolarHBondContact CG2-OG1 3.47Å; L277-T300 HydrophobicContact CB-CG2 4.14Å; L277-T300 HydrophobicContact CD1-CG2 3.87Å; V280-T300 HydrophobicContact CB-CG2 4.42Å; V280-T300 HydrophobicContact CG2-CG2 3.88Å; Y294-T300 WeakPolarHBondContact CD1-O 3.1Å; Y294-T300 CarbonylContact O-C 3.55Å; Y294-T300 VanDerWaalsContact O-C 3.31Å; Y294-T300 WeakPolarHBondContact O-CB 3.22Å; Y294-T300 PolarHBondContact O-OG1 3Å; S297-T300 PolarHBondContact O-N 3.07Å; S297-T300 PolarHBondContact O-OG1 2.66Å; S297-T300 VanDerWaalsContact O-OG1 3.08Å; T300-Q304 PolarHBondContact O-N 3.43Å; T300-Q304 VanDerWaalsContact O-N 3.14Å
301R93.5Very high92.4Very high46 Ų4631.8 Ų31.817%0.17415%0.152CC..Hα-helixtrans-68.9-35.2169-67.8-170.468.1-156.2-9.6112.8I170 I178 Y294 R295 S297 K298 L299 Q304I170-R301 HydrophobicContact CD1-CB 4.23Å; I170-R301 HydrophobicContact CG2-CB 4.26Å; I170-R301 VanDerWaalsContact O-CZ 3.24Å; I170-R301 PolarHBondContact O-NH1 3.17Å; I170-R301 PolarHBondContact O-NH2 3.5Å; I178-R301 WeakPolarHBondContact CG1-O 3.45Å; Y294-R301 WeakPolarHBondContact O-CG 3.23Å; Y294-R301 PolarHBondContact O-N 2.57Å; Y294-R301 VanDerWaalsContact O-N 3.09Å; R295-R301 HydrophobicContact CB-CG 4.5Å; R295-R301 HydrophobicContact CG-CG 4.34Å; S297-R301 WeakPolarHBondContact O-CG 3.33Å; S297-R301 PolarHBondContact O-N 2.98Å; K298-R301 PolarHBondContact O-N 2.84Å; L299-R301 PolarHBondContact O-N 3.38Å; R301-Q304 WeakPolarHBondContact O-CB 3.42Å
302L92.5Very high92.7Very high14 Ų1425.5 Ų25.57%0.07313%0.129CC..Hα-helixtrans-79.3-36.8176.2-59.8-165.7000111.8L150 I152 I170 I178 I180 I222 K298 L299 Q304L150-L302 HydrophobicContact CD1-CD1 4.1Å; L150-L302 HydrophobicContact CD2-CD1 4.12Å; I152-L302 HydrophobicContact CD1-CD1 4.07Å; I170-L302 HydrophobicContact CD1-CD1 4.41Å; I170-L302 HydrophobicContact CD1-CD2 3.61Å; I170-L302 HydrophobicContact CD1-CG 3.84Å; I170-L302 HydrophobicContact CG1-CD2 3.98Å; I170-L302 HydrophobicContact CG2-CD2 3.83Å; I178-L302 HydrophobicContact CG2-CD2 3.66Å; I180-L302 HydrophobicContact CD1-CD1 3.87Å; I180-L302 HydrophobicContact CD1-CD2 3.76Å; I180-L302 HydrophobicContact CG1-CD2 4.21Å; I222-L302 HydrophobicContact CD1-CB 4.22Å; I222-L302 HydrophobicContact CD1-CD1 3.89Å; K298-L302 PolarHBondContact O-N 3.3Å; L299-L302 PolarHBondContact O-N 2.88Å; L302-Q304 PolarHBondContact O-N 3.31Å
303L91.8Very high92.9Very high3 Ų324.1 Ų24.12%0.01612%0.122CC..G310 helixtrans-76.71.7175.2-62.6179.5000114.2V246 L277 L299 D305 S306 L307V246-L303 HydrophobicContact CG2-CD2 4.28Å; L277-L303 HydrophobicContact CD1-CD1 3.75Å; L299-L303 HydrophobicContact CD1-CD1 3.87Å; L299-L303 HydrophobicContact CD1-CG 4.24Å; L299-L303 HydrophobicContact CG-CD1 3.95Å; L299-L303 PolarHBondContact O-N 3.03Å; L303-D305 PolarHBondContact O-N 2.87Å; L303-S306 CarbonylContact O-C 3.18Å; L303-S306 WeakPolarHBondContact O-CA 3.28Å; L303-S306 WeakPolarHBondContact O-CB 3.41Å; L303-S306 PolarHBondContact O-N 3.43Å; L303-L307 PolarHBondContact O-N 2.86Å
304Q91.8Very high93.1Very high36 Ų3623.2 Ų23.217%0.16812%0.117CC..G310 helixtrans-60.6-29177.3-174.7178.9-54.100113.2Y294 T300 R301 L302 S306 G309Y294-Q304 HydrophobicContact CD1-CB 3.97Å; Y294-Q304 HydrophobicContact CD1-CG 4.02Å; Y294-Q304 HydrophobicContact CD2-CG 3.77Å; Y294-Q304 HydrophobicContact CE1-CB 4.32Å; Y294-Q304 HydrophobicContact CE1-CG 4.21Å; Y294-Q304 HydrophobicContact CE2-CG 3.94Å; Y294-Q304 HydrophobicContact CG-CB 4.12Å; Y294-Q304 HydrophobicContact CG-CG 3.82Å; T300-Q304 PolarHBondContact O-N 3.43Å; T300-Q304 VanDerWaalsContact O-N 3.14Å; R301-Q304 WeakPolarHBondContact O-CB 3.42Å; L302-Q304 PolarHBondContact O-N 3.31Å; Q304-S306 VanDerWaalsContact C-N 3.34Å; Q304-G309 WeakPolarHBondContact O-CA 3.16Å
305D88.2Confident93.3Very high20 Ų2021.9 Ų21.911%0.10711%0.112CC..G310 helixtrans-78.5-18.8171.4-104.5-16.1000112.3L303 G309 S310 A311 R349L303-D305 PolarHBondContact O-N 2.87Å; D305-G309 CarbonylContact O-C 3.53Å; D305-G309 WeakPolarHBondContact O-CA 3.2Å; D305-S310 PolarHBondContact O-N 2.85Å; D305-S310 PolarHBondContact OD1-OG 2.96Å; D305-A311 VanDerWaalsContact O-CB 3.23Å; D305-A311 WeakPolarHBondContact O-CB 3.03Å; D305-A311 PolarHBondContact O-N 3.22Å; D305-R349 IonicContact OD1-NH2 3.36Å; D305-R349 PolarHBondContact OD1-NH2 3.43Å; D305-R349 IonicContact OD2-CZ 3.31Å; D305-R349 IonicContact OD2-NH1 2.78Å; D305-R349 PolarHBondContact OD2-NH1 2.83Å; D305-R349 IonicContact OD2-NH2 2.73Å; D305-R349 PolarHBondContact OD2-NH2 2.92Å
306S92.4Very high93.6Very high0 Ų015.5 Ų15.50%09%0.087CC..THydrogen-bonded Turntrans-96-25.8-175.1-55.80000114.7S96 L303 Q304 S313 N344S96-S306 VanDerWaalsContact CB-OG 3.28Å; S96-S306 WeakPolarHBondContact CB-OG 3.14Å; S96-S306 WeakPolarHBondContact OG-CB 3.46Å; S96-S306 PolarHBondContact OG-OG 2.84Å; L303-S306 CarbonylContact O-C 3.18Å; L303-S306 WeakPolarHBondContact O-CA 3.28Å; L303-S306 WeakPolarHBondContact O-CB 3.41Å; L303-S306 PolarHBondContact O-N 3.43Å; Q304-S306 VanDerWaalsContact C-N 3.34Å; S306-S313 WeakPolarHBondContact CA-OG 3.02Å; S306-S313 WeakPolarHBondContact O-CB 3.32Å; S306-S313 PolarHBondContact O-OG 2.64Å; S306-N344 PolarHBondContact O-ND2 3.33Å
307L92.9Very high93.8Very high1 Ų111.5 Ų11.51%0.0057%0.066CC..SBendtrans-123.6122-179.6-60.5176.8000108.9V18 F98 L277 V280 V281 L284 Y294 L303 G309 I342V18-L307 HydrophobicContact CG2-CD2 4.21Å; F98-L307 HydrophobicContact CE1-CD2 4.25Å; F98-L307 HydrophobicContact CZ-CD2 3.83Å; L277-L307 HydrophobicContact CD1-CD1 3.58Å; V280-L307 HydrophobicContact CG1-CB 4.49Å; V280-L307 HydrophobicContact CG1-CD1 4.37Å; V281-L307 HydrophobicContact CG2-CD1 4.4Å; L284-L307 HydrophobicContact CD1-CB 3.94Å; Y294-L307 PolarHBondContact OH-O 3.5Å; L303-L307 PolarHBondContact O-N 2.86Å; L307-G309 PolarHBondContact O-N 3.09Å; L307-G309 VanDerWaalsContact O-N 3.13Å; L307-I342 HydrophobicContact CD2-CD1 3.96Å
308G89.6Confident94Very high32 Ų3211.4 Ų11.433%0.337%0.065SC..SBendtrans61.613.4-171.100000114.2N344G308-N344 WeakPolarHBondContact CA-OD1 3.33Å; G308-N344 PolarHBondContact N-OD1 2.78Å
309G90.5Very high94.2Very high14 Ų149.5 Ų9.514%0.1446%0.057CC..SBendtrans-111-151.2-161.200000114.6Q304 D305 L307 N344 K345Q304-G309 WeakPolarHBondContact O-CA 3.16Å; D305-G309 CarbonylContact O-C 3.53Å; D305-G309 WeakPolarHBondContact O-CA 3.2Å; L307-G309 PolarHBondContact O-N 3.09Å; L307-G309 VanDerWaalsContact O-N 3.13Å; G309-N344 PolarHBondContact N-OD1 2.86Å; G309-K345 PolarHBondContact O-N 2.82Å
310S90.9Very high94.2Very high5 Ų59.5 Ų9.54%0.0356%0.057CC..SBendtrans-105.112.5-172.975.20000115.4N94 D305 P346 F347N94-S310 PolarHBondContact ND2-O 3.37Å; N94-S310 PolarHBondContact ND2-OG 3.26Å; D305-S310 PolarHBondContact O-N 2.85Å; D305-S310 PolarHBondContact OD1-OG 2.96Å; S310-P346 WeakPolarHBondContact O-CA 3.46Å; S310-F347 VanDerWaalsContact CB-CE1 3.41Å
311A93.3Very high94.1Very high0 Ų09.4 Ų9.40%06%0.057CC..EExtended strand (participates in β ladder)trans-111146.4-179.800000114.1N94 D305 S313 N344N94-A311 HydrophobicContact CB-CB 3.65Å; N94-A311 CarbonylContact O-C 3.6Å; N94-A311 VanDerWaalsContact O-CA 3.27Å; N94-A311 WeakPolarHBondContact O-CA 3.29Å; D305-A311 VanDerWaalsContact O-CB 3.23Å; D305-A311 WeakPolarHBondContact O-CB 3.03Å; D305-A311 PolarHBondContact O-N 3.22Å; A311-S313 PolarHBondContact O-N 3Å; A311-S313 PolarHBondContact O-OG 3.38Å; A311-N344 PolarHBondContact O-ND2 3.31Å
312H96.3Very high94Very high21 Ų217.4 Ų7.410%0.0975%0.049CC..EExtended strand (participates in β ladder)trans-70.5115159.5-62.6-79.4000108.5I85 H88 Q93 N94 A95 S96I85-H312 HydrophobicContact CB-CB 4.29Å; I85-H312 HydrophobicContact CG2-CB 4.05Å; H88-H312 AromaticContact CD2-CD2 3.41Å; H88-H312 PolarHBondContact CD2-CD2 2.81Å; H88-H312 VanDerWaalsContact CD2-CD2 3.41Å; H88-H312 AromaticContact CD2-CE1 3.75Å; H88-H312 AromaticContact CD2-CG 3.61Å; H88-H312 AromaticContact CD2-ND1 3.87Å; H88-H312 AromaticContact CD2-NE2 3.5Å; H88-H312 PolarHBondContact CD2-NE2 2.84Å; H88-H312 AromaticContact CG-CD2 3.52Å; H88-H312 AromaticContact CG-NE2 3.46Å; H88-H312 AromaticContact ND1-NE2 3.87Å; H88-H312 AromaticContact NE2-CE1 3.81Å; H88-H312 AromaticContact NE2-NE2 3.94Å; Q93-H312 PolarHBondContact OE1-NE2 3.46Å; N94-H312 PolarHBondContact O-N 2.79Å; A95-H312 CarbonylContact C-O 3.53Å; A95-H312 VanDerWaalsContact CA-O 3.28Å; A95-H312 WeakPolarHBondContact CA-O 3.47Å; S96-H312 PolarHBondContact N-O 3.46Å
313S96.9Very high93.9Very high4 Ų410.6 Ų10.63%0.0286%0.061CC..EExtended strand (participates in β ladder)trans-121.5133.4-166.5-60.80000112.7R19 S96 S306 A311 N344R19-S313 PolarHBondContact N-O 3.43Å; S96-S313 CarbonylContact O-C 3.56Å; S96-S313 WeakPolarHBondContact O-CA 3.17Å; S306-S313 WeakPolarHBondContact CA-OG 3.02Å; S306-S313 WeakPolarHBondContact O-CB 3.32Å; S306-S313 PolarHBondContact O-OG 2.64Å; A311-S313 PolarHBondContact O-N 3Å; A311-S313 PolarHBondContact O-OG 3.38Å; S313-N344 PolarHBondContact OG-ND2 2.55Å
314V98.1Very high93.6Very high1 Ų115.1 Ų15.11%0.0068%0.078CC..EExtended strand (participates in β ladder)trans-120.2117177.6177.70000108.6R19 S81 I85 S96 V97 F98 I316R19-V314 HydrophobicContact CB-CG2 4.32Å; R19-V314 CarbonylContact O-C 3.58Å; R19-V314 WeakPolarHBondContact O-CA 3.38Å; S81-V314 WeakPolarHBondContact O-CG2 3.5Å; I85-V314 HydrophobicContact CD1-CB 4.35Å; I85-V314 HydrophobicContact CD1-CG2 3.71Å; I85-V314 HydrophobicContact CG1-CG2 4.23Å; I85-V314 HydrophobicContact CG2-CG2 4.1Å; S96-V314 PolarHBondContact O-N 2.74Å; V97-V314 WeakPolarHBondContact CA-O 3.49Å; F98-V314 PolarHBondContact N-O 2.97Å; V314-I316 HydrophobicContact CG1-CG1 4.14Å
315M98Very high93.5Very high0 Ų015.8 Ų15.80%08%0.079CC..EExtended strand (participates in β ladder)trans-90.2129.1168.3-178.4177173.700108.8V18 R19 V20 A21 F98 Y100 T317 F335 A336 S339V18-M315 HydrophobicContact CG1-CB 4.43Å; R19-M315 PolarHBondContact O-N 3.43Å; V20-M315 HydrophobicContact CG2-CB 4.22Å; V20-M315 HydrophobicContact CG2-SD 4.47Å; A21-M315 PolarHBondContact N-O 2.96Å; F98-M315 HydrophobicContact CD2-CB 4.29Å; F98-M315 HydrophobicContact CD2-CG 4.02Å; F98-M315 HydrophobicContact CE1-CB 4.23Å; F98-M315 HydrophobicContact CE2-CB 3.64Å; F98-M315 HydrophobicContact CE2-CG 3.46Å; F98-M315 VanDerWaalsContact CE2-CG 3.46Å; F98-M315 HydrophobicContact CE2-SD 3.9Å; F98-M315 HydrophobicContact CZ-CB 3.59Å; F98-M315 HydrophobicContact CZ-CG 3.95Å; F98-M315 HydrophobicContact CZ-SD 4.38Å; Y100-M315 HydrophobicContact CD1-CE 3.62Å; Y100-M315 HydrophobicContact CE1-CE 4.44Å; Y100-M315 HydrophobicContact CG-CE 3.73Å; M315-T317 HydrophobicContact CE-CG2 4.38Å; M315-T317 WeakPolarHBondContact CE-OG1 3.21Å; M315-F335 HydrophobicContact CE-CD1 3.47Å; M315-F335 VanDerWaalsContact CE-CD1 3.47Å; M315-F335 HydrophobicContact CE-CE1 3.52Å; M315-F335 HydrophobicContact SD-CE1 4.24Å; M315-A336 HydrophobicContact CE-CB 4.01Å; M315-A336 HydrophobicContact SD-CB 4.49Å; M315-S339 VanDerWaalsContact SD-CB 3.55Å
316I98.5Very high93.6Very high0 Ų015.3 Ų15.30%08%0.076CC..EExtended strand (participates in β ladder)trans-109.9110.6169.5-50.7178.4000108.3A21 R23 V77 V82 V97 F98 A99 Y100 T110 V120 V314 N318A21-I316 WeakPolarHBondContact O-CA 3.49Å; R23-I316 HydrophobicContact CB-CG2 4.4Å; V77-I316 HydrophobicContact CG1-CD1 4.22Å; V82-I316 HydrophobicContact CG2-CD1 4.18Å; V97-I316 HydrophobicContact CG1-CD1 3.76Å; V97-I316 HydrophobicContact CG1-CG1 4.16Å; F98-I316 PolarHBondContact O-N 3.44Å; A99-I316 CarbonylContact C-O 3.43Å; A99-I316 WeakPolarHBondContact CA-O 3.16Å; Y100-I316 PolarHBondContact N-O 2.99Å; T110-I316 HydrophobicContact CG2-CD1 4.18Å; T110-I316 HydrophobicContact CG2-CG2 4.12Å; V120-I316 HydrophobicContact CG2-CD1 4.19Å; V314-I316 HydrophobicContact CG1-CG1 4.14Å; I316-N318 PolarHBondContact O-N 2.93Å
317T98.3Very high93.6Very high0 Ų019.8 Ų19.80%010%0.095CC..EExtended strand (participates in β ladder)trans-93.4101-177.2-44.70000109.3A21 V22 R23 Y100 M315 I319 A332 A336A21-T317 PolarHBondContact O-N 3.04Å; A21-T317 PolarHBondContact O-OG1 2.92Å; V22-T317 CarbonylContact C-O 3.56Å; V22-T317 WeakPolarHBondContact CA-O 3.48Å; R23-T317 PolarHBondContact N-O 3.31Å; Y100-T317 HydrophobicContact CD1-CG2 4.41Å; Y100-T317 CarbonylContact O-C 3.06Å; M315-T317 HydrophobicContact CE-CG2 4.38Å; M315-T317 WeakPolarHBondContact CE-OG1 3.21Å; T317-I319 HydrophobicContact CG2-CG2 4.22Å; T317-A332 HydrophobicContact CG2-CB 4.09Å; T317-A336 HydrophobicContact CG2-CB 3.81Å; T317-A336 VanDerWaalsContact OG1-CB 3.24Å; T317-A336 WeakPolarHBondContact OG1-CB 3.49Å
318N98.1Very high93.6Very high1 Ų121 Ų211%0.00510%0.102CC..EExtended strand (participates in β ladder)trans-78.6126.2175.2-74105.7000110.6R23 Y100 A105 G106 K107 T110 I316R23-N318 WeakPolarHBondContact O-CA 3.19Å; Y100-N318 PolarHBondContact O-N 3.48Å; A105-N318 HydrophobicContact CB-CB 4Å; A105-N318 WeakPolarHBondContact CB-O 3.46Å; A105-N318 WeakPolarHBondContact O-CB 3.5Å; G106-N318 PolarHBondContact O-ND2 3.05Å; K107-N318 WeakPolarHBondContact CA-OD1 3.44Å; K107-N318 HydrophobicContact CG-CB 4.09Å; T110-N318 PolarHBondContact OG1-ND2 2.84Å; I316-N318 PolarHBondContact O-N 2.93Å
319I97.3Very high93.8Very high0 Ų019.5 Ų19.50%09%0.086CC..EExtended strand (participates in β ladder)trans-128.2155179.658.5167.9000111.7V22 R23 L24 R25 V40 T317 T329 A332 L333V22-I319 HydrophobicContact CG1-CD1 3.54Å; V22-I319 HydrophobicContact CG1-CG1 3.82Å; V22-I319 HydrophobicContact CG1-CG2 4.39Å; R23-I319 WeakPolarHBondContact O-CG1 3.38Å; R23-I319 PolarHBondContact O-N 3.48Å; L24-I319 HydrophobicContact CB-CD1 4.44Å; L24-I319 HydrophobicContact CB-CG1 4.26Å; L24-I319 HydrophobicContact CD1-CD1 3.86Å; L24-I319 HydrophobicContact CD1-CG1 3.77Å; R25-I319 PolarHBondContact N-O 3.06Å; V40-I319 HydrophobicContact CG1-CD1 4.03Å; T317-I319 HydrophobicContact CG2-CG2 4.22Å; I319-T329 HydrophobicContact CB-CG2 3.83Å; I319-T329 HydrophobicContact CD1-CG2 4.42Å; I319-T329 HydrophobicContact CG2-CG2 4Å; I319-A332 HydrophobicContact CG2-CB 4.41Å; I319-L333 HydrophobicContact CD1-CD2 4.22Å; I319-L333 HydrophobicContact CG2-CD2 4.39Å; I319-L333 HydrophobicContact CG2-CG 4.35Å
320A94Very high94.1Very high0 Ų021.6 Ų21.60%09%0.091CC..  trans-114.4136.7-18000000110.4Y325 T329A320-Y325 HydrophobicContact CB-CD1 4.43Å; A320-Y325 HydrophobicContact CB-CD2 3.52Å; A320-Y325 HydrophobicContact CB-CE2 4.12Å; A320-Y325 HydrophobicContact CB-CG 3.69Å; A320-T329 PolarHBondContact N-OG1 3.03Å; A320-T329 PolarHBondContact O-OG1 2.96Å
321P93.8Very high94.2Very high0 Ų024.4 Ų24.40%011%0.111CC..  trans-80.4-16.1-175.530.3-35.5000115L24 R25 Y27 P38 C39L24-P321 HydrophobicContact CD1-CB 3.95Å; L24-P321 HydrophobicContact CD1-CG 4.36Å; R25-P321 WeakPolarHBondContact O-CD 3.32Å; Y27-P321 HydrophobicContact CD2-CB 3.99Å; Y27-P321 HydrophobicContact CD2-CG 3.79Å; Y27-P321 HydrophobicContact CG-CG 4.38Å; P38-P321 WeakPolarHBondContact CA-O 3.24Å; P38-P321 HydrophobicContact CB-CB 4.04Å; C39-P321 PolarHBondContact N-O 3.31Å; C39-P321 PolarHBondContact SG-O 2.9Å
322E91.1Very high94.4Very high3 Ų324.4 Ų24.41%0.01411%0.111CC..BIsolated β-bridgetrans-77.4143.3-173.3-52.685.9172.800112.9R25 Y27 M28 R324 Y325R25-E322 IonicContact CZ-OE1 2.93Å; R25-E322 IonicContact CZ-OE2 3.48Å; R25-E322 IonicContact NH1-OE1 2.73Å; R25-E322 PolarHBondContact NH1-OE1 2.73Å; R25-E322 IonicContact NH1-OE2 2.88Å; R25-E322 PolarHBondContact NH1-OE2 3.49Å; R25-E322 VanDerWaalsContact NH2-CD 3.32Å; R25-E322 IonicContact NH2-OE1 2.61Å; R25-E322 PolarHBondContact NH2-OE1 3.13Å; R25-E322 VanDerWaalsContact NH2-OE1 3.11Å; R25-E322 IonicContact NH2-OE2 2.71Å; R25-E322 PolarHBondContact NH2-OE2 3.43Å; Y27-E322 HydrophobicContact CD2-CG 4.07Å; Y27-E322 HydrophobicContact CE2-CB 4.39Å; Y27-E322 HydrophobicContact CE2-CG 3.81Å; M28-E322 WeakPolarHBondContact CB-OE1 3.16Å; M28-E322 PolarHBondContact N-OE1 3.13Å; E322-R324 HydrophobicContact CB-CG 4.02Å; E322-R324 PolarHBondContact O-N 2.97Å; E322-R324 VanDerWaalsContact O-N 3.1Å; E322-R324 IonicContact OE1-NH2 3.15Å; E322-R324 IonicContact OE2-NH2 3.82Å; E322-Y325 PolarHBondContact O-N 2.99Å; E322-Y325 WeakPolarHBondContact OE2-CD2 3.22Å
323Y89.3Confident94.4Very high81 Ų8123.4 Ų23.432%0.31811%0.107SC..G310 helixtrans-52.9-32.6177.8-85.6-92.9000114.4E36 G37 C39 I51 Y325 Y326E36-Y323 HydrophobicContact CB-CD2 3.89Å; E36-Y323 HydrophobicContact CB-CE2 4.07Å; E36-Y323 VanDerWaalsContact O-CE2 3.25Å; E36-Y323 WeakPolarHBondContact O-CE2 3.45Å; G37-Y323 WeakPolarHBondContact O-CD2 3.46Å; C39-Y323 HydrophobicContact CB-CD1 4.04Å; C39-Y323 HydrophobicContact CB-CD2 3.77Å; C39-Y323 HydrophobicContact CB-CE1 3.96Å; C39-Y323 HydrophobicContact CB-CE2 3.64Å; C39-Y323 HydrophobicContact CB-CG 3.97Å; I51-Y323 VanDerWaalsContact CD1-OH 3.24Å; I51-Y323 WeakPolarHBondContact CD1-OH 3.25Å; Y323-Y325 PolarHBondContact O-N 2.86Å; Y323-Y325 VanDerWaalsContact O-N 3.16Å; Y323-Y326 WeakPolarHBondContact O-CB 3.37Å; Y323-Y326 PolarHBondContact O-N 3.44Å
324R86.1Confident94.4Very high98 Ų9826 Ų2637%0.3712%0.12SC..G310 helixtrans-58.8-25.8174.567.6177.7177.9-118.6-13.5113.8E33 E322E33-R324 IonicContact OE1-CZ 3.44Å; E33-R324 IonicContact OE1-NH1 3.37Å; E33-R324 PolarHBondContact OE1-NH1 3.46Å; E33-R324 IonicContact OE2-CZ 2.71Å; E33-R324 IonicContact OE2-NH1 3.5Å; E33-R324 PolarHBondContact OE2-NH1 3.03Å; E322-R324 HydrophobicContact CB-CG 4.02Å; E322-R324 PolarHBondContact O-N 2.97Å; E322-R324 VanDerWaalsContact O-N 3.1Å; E322-R324 IonicContact OE1-NH2 3.15Å; E322-R324 IonicContact OE2-NH2 3.82Å
325Y89.4Confident94.3Very high51 Ų5126.4 Ų26.420%0.212%0.122CC..G310 helixtrans-96.4-1.6176.7-75.6-68.9000113.6P102 T103 A320 E322 Y323 F327 D328 T329P102-Y325 HydrophobicContact CB-CD1 4.49Å; T103-Y325 VanDerWaalsContact O-CE1 3.23Å; T103-Y325 WeakPolarHBondContact O-CE1 3.44Å; T103-Y325 PolarHBondContact O-OH 3.28Å; A320-Y325 HydrophobicContact CB-CD1 4.43Å; A320-Y325 HydrophobicContact CB-CD2 3.52Å; A320-Y325 HydrophobicContact CB-CE2 4.12Å; A320-Y325 HydrophobicContact CB-CG 3.69Å; E322-Y325 PolarHBondContact O-N 2.99Å; E322-Y325 WeakPolarHBondContact OE2-CD2 3.22Å; Y323-Y325 PolarHBondContact O-N 2.86Å; Y323-Y325 VanDerWaalsContact O-N 3.16Å; Y325-F327 VanDerWaalsContact C-N 3.34Å; Y325-F327 PolarHBondContact O-N 3Å; Y325-F327 VanDerWaalsContact O-N 3.14Å; Y325-D328 PolarHBondContact O-N 3.03Å; Y325-T329 PolarHBondContact O-N 2.75Å
326Y91.9Very high94.3Very high9 Ų926.4 Ų26.44%0.03512%0.122CC..Hα-helixtrans-43.6-54.6-170.7175.2-87.6000113.5C39 I50 I51 W53 Y323 D328 T329 F330C39-Y326 HydrophobicContact CB-CD2 4.36Å; I50-Y326 HydrophobicContact CD1-CD2 3.91Å; I50-Y326 HydrophobicContact CD1-CE2 3.59Å; I50-Y326 HydrophobicContact CG1-CD2 4.24Å; I50-Y326 HydrophobicContact CG1-CE2 3.76Å; I51-Y326 WeakPolarHBondContact O-CE2 3.37Å; I51-Y326 PolarHBondContact O-OH 3.09Å; W53-Y326 HydrophobicContact CB-CD1 4.25Å; W53-Y326 HydrophobicContact CB-CE1 3.61Å; W53-Y326 HydrophobicContact CB-CE2 4.47Å; W53-Y326 AromaticContact CD1-CE1 3.81Å; W53-Y326 AromaticContact CG-CE1 3.93Å; W53-Y326 HydrophobicContact CG-CE1 3.93Å; W53-Y326 PolarHBondContact N-OH 3.06Å; Y323-Y326 WeakPolarHBondContact O-CB 3.37Å; Y323-Y326 PolarHBondContact O-N 3.44Å; Y326-D328 VanDerWaalsContact C-N 3.35Å; Y326-D328 PolarHBondContact O-N 3.33Å; Y326-T329 PolarHBondContact O-N 2.83Å; Y326-F330 HydrophobicContact CE1-CB 4.31Å; Y326-F330 VanDerWaalsContact O-CB 3.22Å; Y326-F330 WeakPolarHBondContact O-CB 3.31Å; Y326-F330 PolarHBondContact O-N 2.68Å
327F91.6Very high94.2Very high94 Ų9428.2 Ų28.241%0.41214%0.137SC..Hα-helixtrans-68.3-32.9-174.8-69.6-74.3000113W53 Y325 S331W53-F327 HydrophobicContact CD2-CE1 4.29Å; W53-F327 HydrophobicContact CD2-CZ 4.45Å; W53-F327 HydrophobicContact CG-CE1 4.32Å; Y325-F327 VanDerWaalsContact C-N 3.34Å; Y325-F327 PolarHBondContact O-N 3Å; Y325-F327 VanDerWaalsContact O-N 3.14Å; F327-S331 VanDerWaalsContact O-CB 3.28Å; F327-S331 WeakPolarHBondContact O-CB 3.17Å; F327-S331 PolarHBondContact O-N 3.14Å; F327-S331 PolarHBondContact O-OG 2.93Å
328D92.3Very high94.1Very high27 Ų2732.3 Ų32.314%0.14415%0.154CC..Hα-helixtrans-80.1-38.9180-56-58.9000110.8P102 Y325 Y326 S331 A332P102-D328 HydrophobicContact CB-CB 3.83Å; P102-D328 HydrophobicContact CG-CB 3.87Å; Y325-D328 PolarHBondContact O-N 3.03Å; Y326-D328 VanDerWaalsContact C-N 3.35Å; Y326-D328 PolarHBondContact O-N 3.33Å; D328-S331 PolarHBondContact O-N 2.93Å; D328-A332 WeakPolarHBondContact O-CB 3.22Å; D328-A332 PolarHBondContact O-N 3.15Å
329T94.9Very high94.1Very high0 Ų032.3 Ų32.30%016%0.155CC..Hα-helixtrans-61.6-47.8170-74.60000111.1V40 I50 I319 A320 Y325 Y326 S331 A332 L333V40-T329 HydrophobicContact CG2-CG2 3.78Å; I50-T329 HydrophobicContact CD1-CG2 4.1Å; I319-T329 HydrophobicContact CB-CG2 3.83Å; I319-T329 HydrophobicContact CD1-CG2 4.42Å; I319-T329 HydrophobicContact CG2-CG2 4Å; A320-T329 PolarHBondContact N-OG1 3.03Å; A320-T329 PolarHBondContact O-OG1 2.96Å; Y325-T329 PolarHBondContact O-N 2.75Å; Y326-T329 PolarHBondContact O-N 2.83Å; T329-S331 VanDerWaalsContact C-N 3.34Å; T329-S331 PolarHBondContact O-N 2.91Å; T329-A332 PolarHBondContact O-N 3.28Å; T329-L333 HydrophobicContact CG2-CD1 4.03Å; T329-L333 HydrophobicContact CG2-CG 4.49Å; T329-L333 WeakPolarHBondContact O-CG 3.28Å; T329-L333 PolarHBondContact O-N 3.48Å
330F95.2Very high94Very high58 Ų5834 Ų3425%0.25416%0.162SC..Hα-helixtrans-60-42.6174.9-178.5-104000111.8I50 Y62 Y326 A332 L333 N334I50-F330 HydrophobicContact CD1-CB 4.15Å; I50-F330 HydrophobicContact CG2-CD2 4.3Å; Y62-F330 VanDerWaalsContact OH-CE2 3.24Å; Y62-F330 WeakPolarHBondContact OH-CE2 3.13Å; Y326-F330 HydrophobicContact CE1-CB 4.31Å; Y326-F330 VanDerWaalsContact O-CB 3.22Å; Y326-F330 WeakPolarHBondContact O-CB 3.31Å; Y326-F330 PolarHBondContact O-N 2.68Å; F330-A332 VanDerWaalsContact C-N 3.35Å; F330-A332 PolarHBondContact O-N 3.41Å; F330-L333 PolarHBondContact O-N 3.42Å; F330-N334 WeakPolarHBondContact CD1-ND2 3.35Å; F330-N334 WeakPolarHBondContact CE1-ND2 3.49Å; F330-N334 VanDerWaalsContact CZ-ND2 3.32Å; F330-N334 WeakPolarHBondContact CZ-ND2 3.42Å; F330-N334 PolarHBondContact O-N 2.84Å; F330-N334 VanDerWaalsContact O-N 3.08Å; F330-N334 PolarHBondContact O-ND2 3.49Å
331S94.5Very high94.1Very high65 Ų6539.5 Ų39.546%0.45519%0.191SC..Hα-helixtrans-63.4-40.4175.6-61.60000112.1F327 D328 T329 N334 F335F327-S331 VanDerWaalsContact O-CB 3.28Å; F327-S331 WeakPolarHBondContact O-CB 3.17Å; F327-S331 PolarHBondContact O-N 3.14Å; F327-S331 PolarHBondContact O-OG 2.93Å; D328-S331 PolarHBondContact O-N 2.93Å; T329-S331 VanDerWaalsContact C-N 3.34Å; T329-S331 PolarHBondContact O-N 2.91Å; S331-N334 PolarHBondContact O-N 2.68Å; S331-F335 PolarHBondContact O-N 3.3Å
332A96.2Very high94.2Very high0 Ų039.6 Ų39.60%019%0.191CC..Hα-helixtrans-67.6-41.7177.600000112.7Y100 T317 I319 D328 T329 F330 N334 F335 A336Y100-A332 HydrophobicContact CD1-CB 4.42Å; Y100-A332 HydrophobicContact CE1-CB 3.98Å; T317-A332 HydrophobicContact CG2-CB 4.09Å; I319-A332 HydrophobicContact CG2-CB 4.41Å; D328-A332 WeakPolarHBondContact O-CB 3.22Å; D328-A332 PolarHBondContact O-N 3.15Å; T329-A332 PolarHBondContact O-N 3.28Å; F330-A332 VanDerWaalsContact C-N 3.35Å; F330-A332 PolarHBondContact O-N 3.41Å; A332-N334 VanDerWaalsContact C-N 3.35Å; A332-N334 PolarHBondContact O-N 2.98Å; A332-F335 PolarHBondContact O-N 3.44Å; A332-A336 VanDerWaalsContact O-CB 3.27Å; A332-A336 WeakPolarHBondContact O-CB 3.47Å; A332-A336 PolarHBondContact O-N 3.3Å
333L97.4Very high94.4Very high0 Ų042.4 Ų42.40%021%0.209CC..Hα-helixtrans-59.8-43173.8-72.7169.6000111.9V22 L48 I50 Y62 F64 I319 T329 F330 A336 A337V22-L333 HydrophobicContact CG1-CD2 4.15Å; V22-L333 HydrophobicContact CG2-CD2 4.38Å; L48-L333 HydrophobicContact CD1-CD1 3.97Å; L48-L333 HydrophobicContact CD1-CD2 3.9Å; L48-L333 HydrophobicContact CD2-CD2 3.9Å; I50-L333 HydrophobicContact CB-CD1 4.46Å; I50-L333 HydrophobicContact CD1-CD1 4.32Å; I50-L333 HydrophobicContact CG2-CD1 4.31Å; Y62-L333 HydrophobicContact CD1-CB 4.22Å; Y62-L333 HydrophobicContact CD2-CB 4.38Å; Y62-L333 HydrophobicContact CD2-CD1 4.11Å; Y62-L333 HydrophobicContact CE1-CB 3.9Å; Y62-L333 HydrophobicContact CE2-CB 4.06Å; Y62-L333 HydrophobicContact CE2-CD1 3.97Å; Y62-L333 HydrophobicContact CG-CB 4.46Å; F64-L333 HydrophobicContact CE2-CD2 3.77Å; F64-L333 HydrophobicContact CZ-CD2 4.03Å; I319-L333 HydrophobicContact CD1-CD2 4.22Å; I319-L333 HydrophobicContact CG2-CD2 4.39Å; I319-L333 HydrophobicContact CG2-CG 4.35Å; T329-L333 HydrophobicContact CG2-CD1 4.03Å; T329-L333 HydrophobicContact CG2-CG 4.49Å; T329-L333 WeakPolarHBondContact O-CG 3.28Å; T329-L333 PolarHBondContact O-N 3.48Å; F330-L333 PolarHBondContact O-N 3.42Å; L333-A336 PolarHBondContact O-N 2.97Å; L333-A337 WeakPolarHBondContact O-CB 3.49Å; L333-A337 PolarHBondContact O-N 3.05Å
334N96.5Very high94.6Very high57 Ų5738.6 Ų38.631%0.30519%0.194SC..Hα-helixtrans-66.9-39.5176.4-71.8-49.5000112.8Y62 F330 S331 A332 A337 K338Y62-N334 VanDerWaalsContact OH-CG 3.28Å; Y62-N334 PolarHBondContact OH-ND2 3.38Å; Y62-N334 PolarHBondContact OH-OD1 2.88Å; F330-N334 WeakPolarHBondContact CD1-ND2 3.35Å; F330-N334 WeakPolarHBondContact CE1-ND2 3.49Å; F330-N334 VanDerWaalsContact CZ-ND2 3.32Å; F330-N334 WeakPolarHBondContact CZ-ND2 3.42Å; F330-N334 PolarHBondContact O-N 2.84Å; F330-N334 VanDerWaalsContact O-N 3.08Å; F330-N334 PolarHBondContact O-ND2 3.49Å; S331-N334 PolarHBondContact O-N 2.68Å; A332-N334 VanDerWaalsContact C-N 3.35Å; A332-N334 PolarHBondContact O-N 2.98Å; N334-A337 PolarHBondContact O-N 3.16Å; N334-K338 WeakPolarHBondContact O-CG 3.47Å; N334-K338 PolarHBondContact O-N 3.03Å; N334-K338 VanDerWaalsContact O-N 3.1Å
335F96.6Very high95Very high11 Ų1140.2 Ų40.25%0.04820%0.203CC..Hα-helixtrans-67.5-37.8174.7176.2-103.7000112.3Y100 L277 V281 M315 S331 A332 S339Y100-F335 AromaticContact CD1-CD1 3.7Å; Y100-F335 HydrophobicContact CD1-CD1 3.7Å; Y100-F335 HydrophobicContact CD1-CE1 4.13Å; Y100-F335 HydrophobicContact CD2-CD1 4.02Å; Y100-F335 AromaticContact CD2-CE1 3.69Å; Y100-F335 HydrophobicContact CD2-CE1 3.69Å; Y100-F335 HydrophobicContact CE1-CB 4.23Å; Y100-F335 AromaticContact CE1-CD1 3.33Å; Y100-F335 HydrophobicContact CE1-CD1 3.33Å; Y100-F335 HydrophobicContact CE1-CE1 4.04Å; Y100-F335 HydrophobicContact CE1-CG 4.08Å; Y100-F335 AromaticContact CE2-CD1 3.64Å; Y100-F335 HydrophobicContact CE2-CD1 3.64Å; Y100-F335 AromaticContact CE2-CE1 3.55Å; Y100-F335 HydrophobicContact CE2-CE1 3.55Å; Y100-F335 HydrophobicContact CE2-CG 4.46Å; Y100-F335 HydrophobicContact CE2-CZ 4.32Å; Y100-F335 HydrophobicContact CG-CD1 4.04Å; Y100-F335 AromaticContact CG-CE1 3.98Å; Y100-F335 HydrophobicContact CG-CE1 3.98Å; Y100-F335 AromaticContact CZ-CD1 3.28Å; Y100-F335 AromaticContact CZ-CE1 3.74Å; Y100-F335 AromaticContact CZ-CG 3.87Å; L277-F335 HydrophobicContact CD2-CE1 4.4Å; L277-F335 HydrophobicContact CD2-CZ 3.94Å; L277-F335 HydrophobicContact CG-CZ 3.95Å; V281-F335 HydrophobicContact CB-CE2 3.95Å; V281-F335 HydrophobicContact CG1-CE2 4.33Å; V281-F335 HydrophobicContact CG2-CE2 3.46Å; V281-F335 VanDerWaalsContact CG2-CE2 3.46Å; V281-F335 HydrophobicContact CG2-CZ 3.73Å; M315-F335 HydrophobicContact CE-CD1 3.47Å; M315-F335 VanDerWaalsContact CE-CD1 3.47Å; M315-F335 HydrophobicContact CE-CE1 3.52Å; M315-F335 HydrophobicContact SD-CE1 4.24Å; S331-F335 PolarHBondContact O-N 3.3Å; A332-F335 PolarHBondContact O-N 3.44Å; F335-S339 WeakPolarHBondContact O-CB 3.48Å; F335-S339 PolarHBondContact O-N 2.98Å; F335-S339 PolarHBondContact O-OG 3.14Å
336A97.3Very high95Very high0 Ų038.6 Ų38.60%020%0.199CC..Hα-helixtrans-64.2-45.1173.700000112V20 F64 M315 T317 A332 L333 K338 S339 K340V20-A336 HydrophobicContact CG1-CB 3.85Å; F64-A336 HydrophobicContact CE1-CB 3.68Å; F64-A336 HydrophobicContact CZ-CB 4.07Å; M315-A336 HydrophobicContact CE-CB 4.01Å; M315-A336 HydrophobicContact SD-CB 4.49Å; T317-A336 HydrophobicContact CG2-CB 3.81Å; T317-A336 VanDerWaalsContact OG1-CB 3.24Å; T317-A336 WeakPolarHBondContact OG1-CB 3.49Å; A332-A336 VanDerWaalsContact O-CB 3.27Å; A332-A336 WeakPolarHBondContact O-CB 3.47Å; A332-A336 PolarHBondContact O-N 3.3Å; L333-A336 PolarHBondContact O-N 2.97Å; A336-K338 VanDerWaalsContact C-N 3.34Å; A336-K338 PolarHBondContact O-N 3.32Å; A336-S339 PolarHBondContact O-N 2.97Å; A336-K340 PolarHBondContact O-N 3.26Å
337A97.1Very high94.9Very high38 Ų3842 Ų4231%0.31421%0.214SC..Hα-helixtrans-62.2-40.3178.300000111.9Y62 F64 L333 N334Y62-A337 HydrophobicContact CD1-CB 4.32Å; Y62-A337 HydrophobicContact CE1-CB 4.48Å; F64-A337 HydrophobicContact CE1-CB 4.28Å; F64-A337 HydrophobicContact CZ-CB 4.4Å; L333-A337 WeakPolarHBondContact O-CB 3.49Å; L333-A337 PolarHBondContact O-N 3.05Å; N334-A337 PolarHBondContact O-N 3.16Å
338K96.6Very high94.8Very high85 Ų8539.8 Ų39.837%0.3721%0.209SC..Hα-helixtrans-61.6-44.4169.1-73176167.9-165.10111.9V281 D282 N285 N334 A336 K340 L341V281-K338 HydrophobicContact CG1-CB 3.71Å; D282-K338 VanDerWaalsContact OD1-CD 3.31Å; D282-K338 WeakPolarHBondContact OD1-CD 3.08Å; D282-K338 WeakPolarHBondContact OD1-CE 3.12Å; D282-K338 IonicContact OD1-NZ 3.51Å; D282-K338 PolarHBondContact OD1-NZ 2.8Å; D282-K338 IonicContact OD2-NZ 2.68Å; D282-K338 PolarHBondContact OD2-NZ 3.16Å; N285-K338 PolarHBondContact ND2-O 3.49Å; N334-K338 WeakPolarHBondContact O-CG 3.47Å; N334-K338 PolarHBondContact O-N 3.03Å; N334-K338 VanDerWaalsContact O-N 3.1Å; A336-K338 VanDerWaalsContact C-N 3.34Å; A336-K338 PolarHBondContact O-N 3.32Å; K338-K340 VanDerWaalsContact C-N 3.31Å; K338-K340 PolarHBondContact O-N 3.09Å; K338-L341 WeakPolarHBondContact O-CB 3.46Å; K338-L341 PolarHBondContact O-N 3.41Å
339S96.6Very high94.4Very high1 Ų139.9 Ų39.91%0.00721%0.207CC..Hα-helixtrans-65-31.1-175.2-61.20000113.4M315 F335 A336 L341 I342M315-S339 VanDerWaalsContact SD-CB 3.55Å; F335-S339 WeakPolarHBondContact O-CB 3.48Å; F335-S339 PolarHBondContact O-N 2.98Å; F335-S339 PolarHBondContact O-OG 3.14Å; A336-S339 PolarHBondContact O-N 2.97Å; S339-L341 PolarHBondContact O-N 3.15Å; S339-L341 VanDerWaalsContact O-N 3.12Å; S339-I342 WeakPolarHBondContact O-CB 3.17Å; S339-I342 PolarHBondContact O-N 3.08Å; S339-I342 VanDerWaalsContact O-N 3.12Å
340K95.8Very high94Very high37 Ų3742.2 Ų42.216%0.16122%0.218CC..THydrogen-bonded Turntrans-59.2-19.1174.9-179.7164.7163.5160.50114V20 H63 F64 D65 A336 K338V20-K340 HydrophobicContact CB-CB 4.21Å; V20-K340 HydrophobicContact CG2-CB 3.71Å; H63-K340 PolarHBondContact CD2-NZ 3.17Å; H63-K340 PolarHBondContact NE2-NZ 3.01Å; H63-K340 PolarHBondContact O-NZ 2.88Å; F64-K340 PolarHBondContact O-NZ 3Å; D65-K340 WeakPolarHBondContact OD1-CD 3.45Å; D65-K340 WeakPolarHBondContact OD1-CE 3.41Å; D65-K340 IonicContact OD1-NZ 3.22Å; D65-K340 PolarHBondContact OD1-NZ 3.28Å; A336-K340 PolarHBondContact O-N 3.26Å; K338-K340 VanDerWaalsContact C-N 3.31Å; K338-K340 PolarHBondContact O-N 3.09Å
341L95.6Very high93.5Very high115 Ų11542.2 Ų42.260%0.60222%0.222SC*.THydrogen-bonded Turntrans-84.4-15.2179.4-55.3179.1000113.6K338 S339K338-L341 WeakPolarHBondContact O-CB 3.46Å; K338-L341 PolarHBondContact O-N 3.41Å; S339-L341 PolarHBondContact O-N 3.15Å; S339-L341 VanDerWaalsContact O-N 3.12Å
342I95.8Very high92.9Very high2 Ų240.7 Ų40.71%0.0121%0.21CC..  trans-70.7133.4-174.2-62.8171.1000110.7R17 V18 V281 L284 N285 L307 S339R17-I342 CarbonylContact C-O 3.58Å; R17-I342 WeakPolarHBondContact CA-O 3.43Å; V18-I342 HydrophobicContact CB-CB 4.27Å; V18-I342 HydrophobicContact CG2-CB 3.71Å; V18-I342 HydrophobicContact CG2-CG2 3.67Å; V18-I342 PolarHBondContact N-O 3.39Å; V281-I342 HydrophobicContact CB-CD1 4.2Å; V281-I342 HydrophobicContact CG1-CD1 4.05Å; V281-I342 HydrophobicContact CG2-CD1 3.77Å; L284-I342 HydrophobicContact CB-CG1 4.38Å; L284-I342 HydrophobicContact CD1-CD1 4.18Å; L284-I342 HydrophobicContact CD1-CG1 4.46Å; L284-I342 HydrophobicContact CD1-CG2 4.06Å; N285-I342 WeakPolarHBondContact OD1-CG1 3.44Å; L307-I342 HydrophobicContact CD2-CD1 3.96Å; S339-I342 WeakPolarHBondContact O-CB 3.17Å; S339-I342 PolarHBondContact O-N 3.08Å; S339-I342 VanDerWaalsContact O-N 3.12Å
343V94.9Very high91.4Very high62 Ų6242 Ų4238%0.37622%0.222SC..EExtended strand (participates in β ladder)trans-109.2114.3177.6-175.80000110.9T15 R17T15-V343 HydrophobicContact CG2-CG1 3.73Å; R17-V343 HydrophobicContact CG-CG2 4.27Å
344N94.7Very high89.5Confident1 Ų146 Ų461%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-88.9162.9170.3-68.2-2.3000111T15 S16 S306 G308 G309 A311 S313T15-N344 WeakPolarHBondContact CA-O 3.37Å; S16-N344 PolarHBondContact N-O 3.12Å; S16-N344 WeakPolarHBondContact O-CA 3.42Å; S16-N344 PolarHBondContact O-N 2.98Å; S306-N344 PolarHBondContact O-ND2 3.33Å; G308-N344 WeakPolarHBondContact CA-OD1 3.33Å; G308-N344 PolarHBondContact N-OD1 2.78Å; G309-N344 PolarHBondContact N-OD1 2.86Å; A311-N344 PolarHBondContact O-ND2 3.31Å; S313-N344 PolarHBondContact OG-ND2 2.55Å
345K93.4Very high87.2Confident132 Ų13247.2 Ų47.257%0.57426%0.257SS*.  trans-129.474.1178.9-69.4165.4-174.4169.10109.8T15 G309T15-K345 HydrophobicContact CG2-CG 4.11Å; G309-K345 PolarHBondContact O-N 2.82Å
346P91.1Very high84.6Confident17 Ų1753.4 Ų53.411%0.1130%0.295CS..  trans-60.7143.1179.8-21.634.7000112.3S310S310-P346 WeakPolarHBondContact O-CA 3.46Å
347F89.1Confident81.7Confident80 Ų8059.8 Ų59.835%0.35133%0.329SS..  trans-145.8153.2175.770.9-92.6000110.9S310 R349S310-F347 VanDerWaalsContact CB-CE1 3.41Å; F347-R349 HydrophobicContact CD2-CG 4.32Å; F347-R349 HydrophobicContact CE2-CG 3.65Å; F347-R349 HydrophobicContact CZ-CG 4.18Å
348T89.1Confident78.9Confident48 Ų4863.6 Ų63.629%0.29435%0.35SS..  trans-78121.8176.2-68.50000110.4N91 G92 Q93 Q239 E350N91-T348 VanDerWaalsContact O-CG2 3.28Å; N91-T348 WeakPolarHBondContact O-CG2 3.42Å; N91-T348 PolarHBondContact O-OG1 3.49Å; G92-T348 WeakPolarHBondContact O-CA 3.13Å; Q93-T348 VanDerWaalsContact CG-OG1 3.28Å; Q93-T348 WeakPolarHBondContact CG-OG1 3.12Å; Q93-T348 PolarHBondContact NE2-OG1 2.93Å; Q93-T348 VanDerWaalsContact NE2-OG1 3.08Å; Q239-T348 HydrophobicContact CG-CG2 4.04Å; T348-E350 PolarHBondContact O-N 3.39Å
349R83.6Confident76Confident29 Ų2965.2 Ų65.211%0.10937%0.367CS..  trans-83.690.2175.7-75.7176.5158.4148.71.5109.4G92 N94 N177 Q239 T240 D305 F347G92-R349 PolarHBondContact O-N 2.58Å; N94-R349 PolarHBondContact ND2-NH1 2.87Å; N94-R349 PolarHBondContact OD1-NH1 3.26Å; N177-R349 PolarHBondContact OD1-NE 2.87Å; N177-R349 PolarHBondContact OD1-NH2 2.7Å; Q239-R349 VanDerWaalsContact CA-O 3.32Å; Q239-R349 WeakPolarHBondContact CA-O 3.41Å; T240-R349 PolarHBondContact N-O 2.82Å; D305-R349 IonicContact OD1-NH2 3.36Å; D305-R349 PolarHBondContact OD1-NH2 3.43Å; D305-R349 IonicContact OD2-CZ 3.31Å; D305-R349 IonicContact OD2-NH1 2.78Å; D305-R349 PolarHBondContact OD2-NH1 2.83Å; D305-R349 IonicContact OD2-NH2 2.73Å; D305-R349 PolarHBondContact OD2-NH2 2.92Å; F347-R349 HydrophobicContact CD2-CG 4.32Å; F347-R349 HydrophobicContact CE2-CG 3.65Å; F347-R349 HydrophobicContact CZ-CG 4.18Å
350E86.4Confident73.1Confident49 Ų4974.8 Ų74.823%0.22941%0.408CS..EExtended strand (participates in β ladder)trans-104142.3175-171.1169.5136.500112.9R237 Q238 Q239 T348R237-E350 VanDerWaalsContact CD-OE1 3.28Å; R237-E350 WeakPolarHBondContact CD-OE1 3.48Å; R237-E350 WeakPolarHBondContact CG-OE1 3.43Å; R237-E350 IonicContact CZ-OE1 2.73Å; R237-E350 IonicContact NE-OE1 2.74Å; R237-E350 IonicContact NH1-OE1 4Å; R237-E350 PolarHBondContact NH1-OE1 3.35Å; Q238-E350 CarbonylContact O-C 3.51Å; Q238-E350 WeakPolarHBondContact O-CA 3.41Å; Q239-E350 HydrophobicContact CG-CB 3.95Å; Q239-E350 HydrophobicContact CG-CG 3.92Å; Q239-E350 PolarHBondContact NE2-OE2 2.7Å; T348-E350 PolarHBondContact O-N 3.39Å
351T86.1Confident70.1Confident57 Ų5783.8 Ų83.835%0.3544%0.441SS..EExtended strand (participates in β ladder)trans-144.6141.7174.347.20000109.9Q238 A353Q238-T351 WeakPolarHBondContact CA-O 3.33Å; Q238-T351 PolarHBondContact N-O 2.92Å; Q238-T351 PolarHBondContact O-N 2.96Å; Q238-T351 VanDerWaalsContact O-O 3.11Å; Q238-T351 PolarHBondContact O-OG1 2.93Å; T351-A353 PolarHBondContact O-N 2.98Å
352V82.1Confident67.1Low33 Ų3382.6 Ų82.620%0.244%0.443CS..EExtended strand (participates in β ladder)trans-75.4124.6172.2-175.50000109.2L5 P235 V354L5-V352 HydrophobicContact CD1-CG2 4.13Å; L5-V352 HydrophobicContact CG-CG2 4.42Å; P235-V352 HydrophobicContact CB-CG1 4.22Å; P235-V352 VanDerWaalsContact O-CG1 3.3Å; P235-V352 WeakPolarHBondContact O-CG1 3.24Å; V352-V354 PolarHBondContact O-N 2.83Å
353A64.4Low64.2Low29 Ų2991.9 Ų91.924%0.2448%0.477CS..  trans-76.7104.7173.700000109.2H236 Q238 T351 P355H236-A353 HydrophobicContact CB-CB 4.07Å; H236-A353 WeakPolarHBondContact O-CB 3.41Å; H236-A353 PolarHBondContact O-N 2.71Å; Q238-A353 HydrophobicContact CB-CB 4.4Å; T351-A353 PolarHBondContact O-N 2.98Å; A353-P355 VanDerWaalsContact O-CD 3.31Å; A353-P355 WeakPolarHBondContact O-CD 3.46Å
354V57Low61.3Low83 Ų8396.9 Ų96.950%0.50350%0.497SS..  trans-70120.5173.4-179.50000108.3V352 V356V352-V354 PolarHBondContact O-N 2.83Å; V354-V356 PolarHBondContact O-N 3.3Å
355P47.6Very low58.4Low83 Ų83103.2 Ų103.254%0.53953%0.526SS..  trans-59.3122.4174.4-22.934.5000109.8A353 L357A353-P355 VanDerWaalsContact O-CD 3.31Å; A353-P355 WeakPolarHBondContact O-CD 3.46Å; P355-L357 PolarHBondContact O-N 2.92Å
356V42.2Very low55.5Low140 Ų140106.2 Ų106.285%0.84854%0.542SS*.  trans-79.379.2171.6-175.80000107.4V354V354-V356 PolarHBondContact O-N 3.3Å
357L35.9Very low52.7Low135 Ų135114.8 Ų114.871%0.70758%0.58SS**  trans-54.4127.6164.2-72173.6000107.8P355 V359P355-L357 PolarHBondContact O-N 2.92Å; L357-V359 PolarHBondContact O-N 2.71Å
358P39.1Very low49.9Very low117 Ų117115.5 Ų115.576%0.7660%0.601SS**  trans-69.895.6177.627.8-32.9000108.5K360P358-K360 VanDerWaalsContact C-N 3.27Å; P358-K360 PolarHBondContact O-N 2.73Å
359V35.1Very low47Very low120 Ų120120.6 Ų120.673%0.72763%0.632SS**  trans-66.189.1176.1-177.40000108.6L357 R361L357-V359 PolarHBondContact O-N 2.71Å; V359-R361 VanDerWaalsContact C-N 3.29Å; V359-R361 HydrophobicContact CG1-CG 4.25Å; V359-R361 PolarHBondContact O-N 2.69Å
360K36.9Very low44.4Very low202 Ų202122.6 Ų122.688%0.87866%0.662SS**  trans-56.799.1154.5-77.7-174.1175.6-178.10106.6P358 S362P358-K360 VanDerWaalsContact C-N 3.27Å; P358-K360 PolarHBondContact O-N 2.73Å; K360-S362 PolarHBondContact O-N 3.1Å; K360-S362 VanDerWaalsContact O-N 3.13Å
361R32.4Very low41.6Very low226 Ų226126.2 Ų126.285%0.85369%0.692SS**  trans-65.7108.9163.3-74.4-179.8170.2148.5-4.4106.7V359 R363V359-R361 VanDerWaalsContact C-N 3.29Å; V359-R361 HydrophobicContact CG1-CG 4.25Å; V359-R361 PolarHBondContact O-N 2.69Å; R361-R363 PolarHBondContact O-N 2.83Å
362S33Very low38.8Very low90 Ų90127 Ų12763%0.62971%0.712SS**  trans-57.1127158.642.10000107.2K360 E364K360-S362 PolarHBondContact O-N 3.1Å; K360-S362 VanDerWaalsContact O-N 3.13Å; S362-E364 PolarHBondContact O-N 3.17Å; S362-E364 PolarHBondContact OG-OE1 3.3Å
363R34.7Very low36.3Very low196 Ų196130.9 Ų130.974%0.7475%0.747SS**  trans-96.482175.3-176.4-178-179.8-158-8.9106.9R361 E365R361-R363 PolarHBondContact O-N 2.83Å; R363-E365 HydrophobicContact CG-CG 4.28Å; R363-E365 IonicContact CZ-OE1 2.65Å; R363-E365 VanDerWaalsContact CZ-OE1 3.22Å; R363-E365 IonicContact CZ-OE2 2.66Å; R363-E365 VanDerWaalsContact CZ-OE2 3.31Å; R363-E365 IonicContact NE-OE1 3.33Å; R363-E365 PolarHBondContact NE-OE1 2.95Å; R363-E365 IonicContact NE-OE2 3.06Å; R363-E365 PolarHBondContact NE-OE2 3.03Å; R363-E365 IonicContact NH2-OE1 3Å; R363-E365 PolarHBondContact NH2-OE1 2.84Å; R363-E365 IonicContact NH2-OE2 3.33Å; R363-E365 PolarHBondContact NH2-OE2 2.96Å; R363-E365 PolarHBondContact O-N 2.94Å
364E33.2Very low34.5Very low167 Ų167138.1 Ų138.178%0.7878%0.776SS**  trans-80.497.4169.6-76155.1-135.700107.8S362S362-E364 PolarHBondContact O-N 3.17Å; S362-E364 PolarHBondContact OG-OE1 3.3Å
365E33.1Very low33.8Very low134 Ų134138 Ų13863%0.62678%0.777SS**  trans-107.4136.2165.5-81.3171.8-162.300108.1R363R363-E365 HydrophobicContact CG-CG 4.28Å; R363-E365 IonicContact CZ-OE1 2.65Å; R363-E365 VanDerWaalsContact CZ-OE1 3.22Å; R363-E365 IonicContact CZ-OE2 2.66Å; R363-E365 VanDerWaalsContact CZ-OE2 3.31Å; R363-E365 IonicContact NE-OE1 3.33Å; R363-E365 PolarHBondContact NE-OE1 2.95Å; R363-E365 IonicContact NE-OE2 3.06Å; R363-E365 PolarHBondContact NE-OE2 3.03Å; R363-E365 IonicContact NH2-OE1 3Å; R363-E365 PolarHBondContact NH2-OE1 2.84Å; R363-E365 IonicContact NH2-OE2 3.33Å; R363-E365 PolarHBondContact NH2-OE2 2.96Å; R363-E365 PolarHBondContact O-N 2.94Å
366H34Very low32.9Very low195 Ų195141.7 Ų141.790%0.90379%0.787SS**  trans-70.5143.4-170.4-72.9-101.2000112.8
367E30.9Very low32.2Very low197 Ų197143.7 Ų143.792%0.92178%0.784SS**  trans-71.2144.9170.9-61.9-173.313100112.4
368A30.3Very low31.8Very low95 Ų95146.4 Ų146.479%0.78579%0.79SS**  trans-151.385.2164.100000111.2
369V29.9Very low31.2Very low155 Ų155149.3 Ų149.394%0.93979%0.791SS**  trans27.3119.7150.2-172.30000118.8
370G28.7Very low30.8Very low72 Ų72150.4 Ų150.474%0.74279%0.788SS**  trans-171.257.3174.400000117.6
371S27.6Very low30.2Very low124 Ų124148.1 Ų148.187%0.86778%0.778SS**  trans8.1131.8161.559.90000121.7
372G27.1Very low29.9Very low75 Ų75143.1 Ų143.177%0.77377%0.765SS**  trans156.4105.9146.300000119.7
373A28.9Very low29.5Very low113 Ų113145.2 Ų145.293%0.93477%0.765SS**  trans66.8144.8152.800000122.1
374E28.1Very low29Very low181 Ų181143.1 Ų143.185%0.84676%0.761SS**  trans-115.4-178.5177.3-106.5-148.5154.500109.8
375P41.7Very low28.6Very low80 Ų80142.3 Ų142.352%0.51975%0.754SS.*  cis-138.6-159.4-37.438.1-19.3000112.4
376H28.1Very low28.1Very low162 Ų162140.9 Ų140.975%0.7576%0.759SS**  trans79.2150.4161.5-65.8-10.7000117.5
377K28.3Very low27.8Very low181 Ų181137.7 Ų137.779%0.78775%0.745SS**  cis-148.3157.515.1-133.7153.5-169171.30113.6
378K26.8Very low27.5Very low193 Ų193136.9 Ų136.984%0.83974%0.741SS**  trans-33.2147.2167-54.3166.7178.2177.60113.9
379K26.1Very low27.2Very low177 Ų177140.1 Ų140.177%0.7775%0.745SS**  -173.5169.962.7-78.4178.4156-153.90108.8
380Q27.3Very low27Very low144 Ų144135.3 Ų135.367%0.67373%0.727SS**  cis-157.5143.6-20.6-100.3172.4-87.400104.5
381K24.1Very low26.8Very low154 Ų154138 Ų13867%0.6773%0.734SS**  42.9135.687.2-84.9-152.7177.1-117.70115.1
382E25.4Very low27Very low121 Ų121137.5 Ų137.557%0.56573%0.731SS**  cis-177.3146.9-11.2-133.8168-140.700108.7
383E25.4Very low27.2Very low134 Ų134140.2 Ų140.263%0.62674%0.735SS**  trans51169.9139-74.5-177.2142.400121.5
384K24.7Very low27Very low152 Ų152140.3 Ų140.366%0.66173%0.729SS**  cis-156167.20.1-128.6155.6-173.6145.20110.6
385K23.9Very low26.9Very low149 Ų149136 Ų13665%0.64872%0.724SS**  trans15.3159.4137.9-74.2-170165.2-134.80121.8E387K385-E387 IonicContact NZ-OE1 3.82Å; K385-E387 IonicContact NZ-OE2 2.68Å; K385-E387 PolarHBondContact NZ-OE2 2.87Å
386S23.7Very low26.1Very low104 Ų104140.2 Ų140.273%0.72774%0.736SS**  cis-172.4165.123.811.50000110.8
387E27.4Very low26Very low129 Ų129143.4 Ų143.460%0.60374%0.744SS**  cis-160.1-27.8-17.2-138.996-70.400115.8K385K385-E387 IonicContact NZ-OE1 3.82Å; K385-E387 IonicContact NZ-OE2 2.68Å; K385-E387 PolarHBondContact NZ-OE2 2.87Å
388Q24.9Very low25.9Very low180 Ų180143 Ų14384%0.84174%0.744SS**  trans-137.9168.1-166.5-73.6166.6-62.600113.3
389D23.3Very low25.8Very low162 Ų162139.3 Ų139.387%0.86674%0.743SS**  cis-147.2-174.921.4-154.7-12.9000112.9
390G25.2Very low25.9Very low54 Ų54138.6 Ų138.656%0.55775%0.746SS**  trans-113.2-148.7-160.100000121.1
391S24.3Very low26.2Very low129 Ų129137 Ų13790%0.90275%0.751SS**  trans88.1158.9-169.680.10000117.1
392S31.4Very low26.7Very low113 Ų113136.1 Ų136.179%0.7975%0.749SS**  trans-127.4164.8-165.5-48.30000112.8
393P32.2Very low27.4Very low132 Ų132133.7 Ų133.786%0.85774%0.744SS**  -147.3174.9103.839-23000117
394S25.1Very low28.7Very low115 Ų115130.2 Ų130.280%0.80474%0.735SS**  trans-53.8149.6-177.8-176.90000117.5
395A25.1Very low29.8Very low91 Ų91126.2 Ų126.275%0.75272%0.723SS**  trans-143.9141.5152.300000111.4
396H24.5Very low30.8Very low168 Ų168123.1 Ų123.178%0.77871%0.712SS**  trans-65.6141.4-176-78.8-104.3000114.1
397Y27.5Very low31.9Very low229 Ų229123.4 Ų123.490%0.89870%0.702SS**  trans-107.4127.9146-85.4-86.1000109.5
398H26.2Very low33.3Very low174 Ų174121.1 Ų121.181%0.80669%0.688SS**  trans-70.7130.2178.6-96.8-95.5000111.3L400H398-L400 PolarHBondContact O-N 2.88Å
399S25.2Very low34.6Very low115 Ų115115.1 Ų115.180%0.80466%0.661SS**  trans-69110.7165.5-175.80000109.4
400L28.1Very low36.1Very low162 Ų162109.7 Ų109.785%0.84863%0.631SS**  trans-82.4120.1157.9-71.2173.7000107.2H398 E402H398-L400 PolarHBondContact O-N 2.88Å; L400-E402 PolarHBondContact O-N 2.86Å
401S32.6Very low37.6Very low111 Ų111109.5 Ų109.578%0.77662%0.624SS**  trans-64108.6-17753.40000111.3
402E33.8Very low39Very low134 Ų134104.8 Ų104.863%0.62659%0.589SS**PPolyproline II helixtrans-56.1133.3163.2-101-161-134.300109.1L400 S404 R408L400-E402 PolarHBondContact O-N 2.86Å; E402-S404 PolarHBondContact O-N 3.06Å; E402-R408 IonicContact OE2-CZ 2.66Å; E402-R408 IonicContact OE2-NH1 2.68Å; E402-R408 PolarHBondContact OE2-NH1 3.24Å; E402-R408 IonicContact OE2-NH2 3.09Å; E402-R408 PolarHBondContact OE2-NH2 2.9Å
403P40.3Very low39.8Very low70 Ų70103 Ų10346%0.45557%0.568SS.*PPolyproline II helixtrans-60.7137.4-178.724.4-33.9000110.3E407 R408P403-E407 VanDerWaalsContact CA-OE2 3.25Å; P403-E407 WeakPolarHBondContact CA-OE2 3.28Å; P403-E407 WeakPolarHBondContact CB-OE2 3.42Å; P403-R408 VanDerWaalsContact O-CZ 3.24Å; P403-R408 PolarHBondContact O-NE 3.44Å; P403-R408 PolarHBondContact O-NH2 2.88Å
404S52.7Low40.6Very low62 Ų62103.3 Ų103.343%0.43456%0.556SS.*PPolyproline II helixtrans-58.3152.5-167.1-179.80000112.4E402 M406 E407 R408E402-S404 PolarHBondContact O-N 3.06Å; S404-M406 PolarHBondContact O-N 3.4Å; S404-M406 VanDerWaalsContact O-N 3.13Å; S404-M406 WeakPolarHBondContact OG-CB 3.45Å; S404-M406 PolarHBondContact OG-N 3Å; S404-E407 PolarHBondContact N-OE2 2.95Å; S404-E407 WeakPolarHBondContact O-CB 3.45Å; S404-E407 PolarHBondContact O-N 3.11Å; S404-R408 PolarHBondContact O-N 2.76Å; S404-R408 VanDerWaalsContact O-N 3.1Å
405V48Very low41.8Very low68 Ų68101.6 Ų101.641%0.41254%0.538SS..Hα-helixtrans-52.7-32.8167.5178.30000110.4R408 L409V405-R408 PolarHBondContact O-N 2.88Å; V405-L409 HydrophobicContact CG1-CD1 3.87Å; V405-L409 WeakPolarHBondContact O-CG 3.48Å; V405-L409 PolarHBondContact O-N 2.94Å
406M45.4Very low42.8Very low83 Ų83102 Ų10241%0.40953%0.525SS..Hα-helixtrans-57.6-48.2171.5-164.768.4177.400112.1A115 E116 S404 R408 L409 I410A115-M406 HydrophobicContact CB-SD 4.48Å; E116-M406 HydrophobicContact CG-CE 4.36Å; S404-M406 PolarHBondContact O-N 3.4Å; S404-M406 VanDerWaalsContact O-N 3.13Å; S404-M406 WeakPolarHBondContact OG-CB 3.45Å; S404-M406 PolarHBondContact OG-N 3Å; M406-R408 VanDerWaalsContact C-N 3.34Å; M406-R408 PolarHBondContact O-N 2.85Å; M406-L409 PolarHBondContact O-N 3.1Å; M406-I410 HydrophobicContact CE-CD1 4.21Å; M406-I410 HydrophobicContact CG-CD1 3.83Å; M406-I410 VanDerWaalsContact O-CB 3.31Å; M406-I410 WeakPolarHBondContact O-CB 3.37Å; M406-I410 WeakPolarHBondContact O-CG1 3.47Å; M406-I410 PolarHBondContact O-N 3.02Å
407E47.5Very low43.4Very low111 Ų11198.5 Ų98.552%0.51951%0.51SS..Hα-helixtrans-67.4-34179.4-67176.299.600112.3P403 S404 A411P403-E407 VanDerWaalsContact CA-OE2 3.25Å; P403-E407 WeakPolarHBondContact CA-OE2 3.28Å; P403-E407 WeakPolarHBondContact CB-OE2 3.42Å; S404-E407 PolarHBondContact N-OE2 2.95Å; S404-E407 WeakPolarHBondContact O-CB 3.45Å; S404-E407 PolarHBondContact O-N 3.11Å; E407-A411 WeakPolarHBondContact O-CB 3.15Å; E407-A411 PolarHBondContact O-N 3.42Å
408R56.3Low43.8Very low81 Ų8190.7 Ų90.731%0.30649%0.489SS..Hα-helixtrans-69.9-38.3177-59.9177.2-146.1-160.56.1111.7E402 P403 S404 V405 M406 L412E402-R408 IonicContact OE2-CZ 2.66Å; E402-R408 IonicContact OE2-NH1 2.68Å; E402-R408 PolarHBondContact OE2-NH1 3.24Å; E402-R408 IonicContact OE2-NH2 3.09Å; E402-R408 PolarHBondContact OE2-NH2 2.9Å; P403-R408 VanDerWaalsContact O-CZ 3.24Å; P403-R408 PolarHBondContact O-NE 3.44Å; P403-R408 PolarHBondContact O-NH2 2.88Å; S404-R408 PolarHBondContact O-N 2.76Å; S404-R408 VanDerWaalsContact O-N 3.1Å; V405-R408 PolarHBondContact O-N 2.88Å; M406-R408 VanDerWaalsContact C-N 3.34Å; M406-R408 PolarHBondContact O-N 2.85Å; R408-L412 PolarHBondContact O-N 2.97Å; R408-L412 VanDerWaalsContact O-N 3.08Å
409L52.1Low44.6Very low54 Ų5484.6 Ų84.628%0.28347%0.465SS..Hα-helixtrans-72.1-41.8173.7-71.1163.1000111.7A115 V405 M406 A411 L412 E413A115-L409 HydrophobicContact CB-CB 3.46Å; A115-L409 VanDerWaalsContact CB-CB 3.46Å; A115-L409 HydrophobicContact CB-CD1 4.33Å; A115-L409 HydrophobicContact CB-CG 4.45Å; V405-L409 HydrophobicContact CG1-CD1 3.87Å; V405-L409 WeakPolarHBondContact O-CG 3.48Å; V405-L409 PolarHBondContact O-N 2.94Å; M406-L409 PolarHBondContact O-N 3.1Å; L409-A411 VanDerWaalsContact C-N 3.3Å; L409-A411 PolarHBondContact O-N 3.3Å; L409-L412 PolarHBondContact O-N 3.26Å; L409-L412 VanDerWaalsContact O-N 3.15Å; L409-E413 PolarHBondContact O-N 3.07Å
410I55.6Low45.3Very low47 Ų4785 Ų8524%0.24145%0.454CS..Hα-helixtrans-61.3-36.9171.6-72.6168.6000111.2M406 K414M406-I410 HydrophobicContact CE-CD1 4.21Å; M406-I410 HydrophobicContact CG-CD1 3.83Å; M406-I410 VanDerWaalsContact O-CB 3.31Å; M406-I410 WeakPolarHBondContact O-CB 3.37Å; M406-I410 WeakPolarHBondContact O-CG1 3.47Å; M406-I410 PolarHBondContact O-N 3.02Å; I410-K414 HydrophobicContact CG2-CD 3.82Å; I410-K414 VanDerWaalsContact CG2-CE 3.44Å; I410-K414 HydrophobicContact CG2-CG 4.34Å; I410-K414 VanDerWaalsContact O-CB 3.27Å; I410-K414 WeakPolarHBondContact O-CB 3.36Å; I410-K414 WeakPolarHBondContact O-CG 3.48Å; I410-K414 PolarHBondContact O-N 2.79Å
411A55.2Low45.7Very low50 Ų5080.9 Ų80.941%0.41343%0.433SS..Hα-helixtrans-66.7-38.9174.500000111.8E407 L409 L415E407-A411 WeakPolarHBondContact O-CB 3.15Å; E407-A411 PolarHBondContact O-N 3.42Å; L409-A411 VanDerWaalsContact C-N 3.3Å; L409-A411 PolarHBondContact O-N 3.3Å; A411-L415 WeakPolarHBondContact O-CB 3.16Å; A411-L415 PolarHBondContact O-N 2.93Å
412L54.3Low46.4Very low30 Ų3086 Ų8616%0.15744%0.435CS..Hα-helixtrans-68-40.7175.6-169.7144.7000111.7I199 L203 R408 L409 L415 M416I199-L412 HydrophobicContact CG2-CD1 4.05Å; L203-L412 HydrophobicContact CD2-CD1 3.79Å; L203-L412 HydrophobicContact CD2-CG 3.93Å; L203-L412 HydrophobicContact CG-CD1 3.93Å; R408-L412 PolarHBondContact O-N 2.97Å; R408-L412 VanDerWaalsContact O-N 3.08Å; L409-L412 PolarHBondContact O-N 3.26Å; L409-L412 VanDerWaalsContact O-N 3.15Å; L412-L415 WeakPolarHBondContact O-CB 3.33Å; L412-L415 PolarHBondContact O-N 3.46Å; L412-M416 HydrophobicContact CD2-SD 3.78Å; L412-M416 WeakPolarHBondContact O-CG 3.22Å; L412-M416 PolarHBondContact O-N 3.04Å
413E48.3Very low46.9Very low75 Ų7584.8 Ų84.835%0.3543%0.433SS..Hα-helixtrans-64.6-46.3172.5-176.9178.4-14200111.9L409 L415 M416 M417L409-E413 PolarHBondContact O-N 3.07Å; E413-L415 PolarHBondContact O-N 3.44Å; E413-M416 CarbonylContact O-C 3.52Å; E413-M416 WeakPolarHBondContact O-CA 3.4Å; E413-M416 WeakPolarHBondContact O-CB 3.36Å; E413-M416 PolarHBondContact O-N 3.06Å; E413-M417 HydrophobicContact CG-CG 4.35Å; E413-M417 WeakPolarHBondContact O-CB 3.21Å; E413-M417 WeakPolarHBondContact O-CG 3.46Å; E413-M417 PolarHBondContact O-N 2.91Å
414K48.6Very low47.1Very low140 Ų14088.4 Ų88.461%0.60944%0.438SS*.Hα-helixtrans-59.8-33.9173-75.7170.9-179.4172.10111.9I410 S418I410-K414 HydrophobicContact CG2-CD 3.82Å; I410-K414 VanDerWaalsContact CG2-CE 3.44Å; I410-K414 HydrophobicContact CG2-CG 4.34Å; I410-K414 VanDerWaalsContact O-CB 3.27Å; I410-K414 WeakPolarHBondContact O-CB 3.36Å; I410-K414 WeakPolarHBondContact O-CG 3.48Å; I410-K414 PolarHBondContact O-N 2.79Å; K414-S418 VanDerWaalsContact O-CB 3.26Å; K414-S418 WeakPolarHBondContact O-CB 3.01Å; K414-S418 PolarHBondContact O-N 3.32Å; K414-S418 PolarHBondContact O-OG 3.43Å
415L51.1Low46.6Very low79 Ų7991.1 Ų91.141%0.41444%0.444SS..Hα-helixtrans-65.9-41.7171-119.7104.1000112L203 A411 L412 E413 S418 C419L203-L415 HydrophobicContact CD2-CD2 4.24Å; A411-L415 WeakPolarHBondContact O-CB 3.16Å; A411-L415 PolarHBondContact O-N 2.93Å; L412-L415 WeakPolarHBondContact O-CB 3.33Å; L412-L415 PolarHBondContact O-N 3.46Å; E413-L415 PolarHBondContact O-N 3.44Å; L415-S418 PolarHBondContact O-OG 2.65Å; L415-C419 PolarHBondContact O-N 2.89Å; L415-C419 PolarHBondContact O-SG 3.36Å
416M44.8Very low46.6Very low100 Ų10090.7 Ų90.749%0.49344%0.444SS..Hα-helixtrans-67.2-45.6176.9-71.717657.400111.8L412 E413 C419 Q420L412-M416 HydrophobicContact CD2-SD 3.78Å; L412-M416 WeakPolarHBondContact O-CG 3.22Å; L412-M416 PolarHBondContact O-N 3.04Å; E413-M416 CarbonylContact O-C 3.52Å; E413-M416 WeakPolarHBondContact O-CA 3.4Å; E413-M416 WeakPolarHBondContact O-CB 3.36Å; E413-M416 PolarHBondContact O-N 3.06Å; M416-C419 PolarHBondContact O-N 3.17Å; M416-Q420 PolarHBondContact O-N 2.91Å
417M38.8Very low47.1Very low94 Ų9490.7 Ų90.746%0.46345%0.448SS..Hα-helixtrans-66.2-43.2179-74-64.6-69.100112.9E413 C419 Q420 D421E413-M417 HydrophobicContact CG-CG 4.35Å; E413-M417 WeakPolarHBondContact O-CB 3.21Å; E413-M417 WeakPolarHBondContact O-CG 3.46Å; E413-M417 PolarHBondContact O-N 2.91Å; M417-C419 PolarHBondContact O-N 2.73Å; M417-Q420 CarbonylContact O-C 3.57Å; M417-Q420 WeakPolarHBondContact O-CA 3.39Å; M417-Q420 VanDerWaalsContact O-CB 3.23Å; M417-Q420 WeakPolarHBondContact O-CB 3.38Å; M417-Q420 PolarHBondContact O-N 3Å; M417-D421 PolarHBondContact O-N 2.77Å
418S34.3Very low47.4Very low64 Ų6489.5 Ų89.545%0.44845%0.445SS..Hα-helixtrans-65.5-26.5177.155.90000113.4K414 L415 Q420 R422K414-S418 VanDerWaalsContact O-CB 3.26Å; K414-S418 WeakPolarHBondContact O-CB 3.01Å; K414-S418 PolarHBondContact O-N 3.32Å; K414-S418 PolarHBondContact O-OG 3.43Å; L415-S418 PolarHBondContact O-OG 2.65Å; S418-Q420 VanDerWaalsContact C-N 3.3Å; S418-R422 PolarHBondContact O-N 3.48Å
419C44Very low47.7Very low46 Ų4692.7 Ų92.731%0.31146%0.461SS..Hα-helixtrans-74.5-20.9169.1-65.10000113.1T210 L415 M416 M417 N423T210-C419 HydrophobicContact CG2-CB 4.04Å; T210-C419 WeakPolarHBondContact CG2-SG 3.36Å; L415-C419 PolarHBondContact O-N 2.89Å; L415-C419 PolarHBondContact O-SG 3.36Å; M416-C419 PolarHBondContact O-N 3.17Å; M417-C419 PolarHBondContact O-N 2.73Å; C419-N423 PolarHBondContact O-ND2 3.28Å
420Q38.6Very low48.4Very low123 Ų12394.2 Ų94.258%0.57547%0.469SS*.Hα-helixtrans-84-44176.7-155.1159.1-37.900110.9M416 M417 S418 N423 R424M416-Q420 PolarHBondContact O-N 2.91Å; M417-Q420 CarbonylContact O-C 3.57Å; M417-Q420 WeakPolarHBondContact O-CA 3.39Å; M417-Q420 VanDerWaalsContact O-CB 3.23Å; M417-Q420 WeakPolarHBondContact O-CB 3.38Å; M417-Q420 PolarHBondContact O-N 3Å; S418-Q420 VanDerWaalsContact C-N 3.3Å; Q420-N423 PolarHBondContact O-N 3.39Å; Q420-R424 WeakPolarHBondContact O-CB 3.5Å; Q420-R424 PolarHBondContact O-N 3.47Å
421D38.2Very low48.9Very low76 Ų7695.1 Ų95.141%0.40648%0.477SS..Hα-helixtrans-68.2-35.9-179.8-83.1-45.6000114.2M417 N423 R424 Q425M417-D421 PolarHBondContact O-N 2.77Å; D421-N423 VanDerWaalsContact C-N 3.28Å; D421-N423 PolarHBondContact O-N 2.85Å; D421-R424 WeakPolarHBondContact O-CB 3.41Å; D421-R424 PolarHBondContact O-N 2.89Å; D421-R424 VanDerWaalsContact O-N 3.09Å; D421-R424 IonicContact OD1-NE 3Å; D421-R424 PolarHBondContact OD1-NE 3.39Å; D421-Q425 PolarHBondContact O-N 2.89Å
422R46Very low49.5Very low218 Ų21895.3 Ų95.382%0.82348%0.479SS*.Hα-helixtrans-61.7-37.4173.1-75.1-169.5175.4-155.1-0.8112.3S418 S426S418-R422 PolarHBondContact O-N 3.48Å; R422-S426 PolarHBondContact O-N 3.48Å
423N45.4Very low50.4Low109 Ų10999.6 Ų99.658%0.58350%0.498SS*.Hα-helixtrans-70.4-39.5171.1-79-62.2000111.6C419 Q420 D421 Q425 S426 V427C419-N423 PolarHBondContact O-ND2 3.28Å; Q420-N423 PolarHBondContact O-N 3.39Å; D421-N423 VanDerWaalsContact C-N 3.28Å; D421-N423 PolarHBondContact O-N 2.85Å; N423-Q425 VanDerWaalsContact C-N 3.34Å; N423-Q425 PolarHBondContact O-N 3.3Å; N423-S426 PolarHBondContact O-N 2.83Å; N423-V427 WeakPolarHBondContact O-CB 3.37Å; N423-V427 WeakPolarHBondContact O-CG2 3.19Å; N423-V427 PolarHBondContact O-N 3.32Å
424R43.3Very low51.1Low146 Ų14698.7 Ų98.755%0.55150%0.5SS*.Hα-helixtrans-60.9-41.7178.1-150172.786.491.8-2.1111.6Q420 D421 S426 L428Q420-R424 WeakPolarHBondContact O-CB 3.5Å; Q420-R424 PolarHBondContact O-N 3.47Å; D421-R424 WeakPolarHBondContact O-CB 3.41Å; D421-R424 PolarHBondContact O-N 2.89Å; D421-R424 VanDerWaalsContact O-N 3.09Å; D421-R424 IonicContact OD1-NE 3Å; D421-R424 PolarHBondContact OD1-NE 3.39Å; R424-S426 PolarHBondContact O-N 3.2Å; R424-L428 HydrophobicContact CG-CD1 4.1Å; R424-L428 HydrophobicContact CG-CG 4.48Å; R424-L428 WeakPolarHBondContact O-CB 3.01Å; R424-L428 WeakPolarHBondContact O-CD1 3.46Å; R424-L428 WeakPolarHBondContact O-CG 3.39Å; R424-L428 PolarHBondContact O-N 3.47Å
425Q43.8Very low51.9Low120 Ų12099.7 Ų99.756%0.56150%0.5SS*.Hα-helixtrans-68.3-32.5178-149.473.61.100113D421 N423 K429D421-Q425 PolarHBondContact O-N 2.89Å; N423-Q425 VanDerWaalsContact C-N 3.34Å; N423-Q425 PolarHBondContact O-N 3.3Å; Q425-K429 WeakPolarHBondContact O-CG 3.19Å; Q425-K429 PolarHBondContact O-N 3.22Å
426S46.9Very low53.3Low59 Ų59103.1 Ų103.141%0.41351%0.512SS..Hα-helixtrans-69.7-57.6171-166.80000110.4R422 N423 R424 L428 K429 D430R422-S426 PolarHBondContact O-N 3.48Å; N423-S426 PolarHBondContact O-N 2.83Å; R424-S426 PolarHBondContact O-N 3.2Å; S426-L428 PolarHBondContact O-N 3.4Å; S426-K429 CarbonylContact O-C 3.57Å; S426-K429 WeakPolarHBondContact O-CA 3.33Å; S426-K429 WeakPolarHBondContact O-CB 3.42Å; S426-K429 PolarHBondContact O-N 3.22Å; S426-D430 VanDerWaalsContact C-OD2 3.27Å; S426-D430 PolarHBondContact O-N 2.85Å; S426-D430 VanDerWaalsContact O-OD2 3.06Å; S426-D430 PolarHBondContact OG-OD2 3.13Å
427V56.7Low55Low82 Ų82102.6 Ų102.650%0.49751%0.508SS..Hα-helixtrans-61-32.3-175.8174.20000111.9N423 V431N423-V427 WeakPolarHBondContact O-CB 3.37Å; N423-V427 WeakPolarHBondContact O-CG2 3.19Å; N423-V427 PolarHBondContact O-N 3.32Å; V427-V431 HydrophobicContact CG1-CG2 4.13Å; V427-V431 VanDerWaalsContact O-CB 3.22Å; V427-V431 WeakPolarHBondContact O-CB 3.31Å; V427-V431 WeakPolarHBondContact O-CG2 3.25Å; V427-V431 PolarHBondContact O-N 2.96Å
428L53.8Low56.7Low86 Ų86102.3 Ų102.345%0.4551%0.507SS..Hα-helixtrans-68.6-34.5172.3-75170.3000113R424 S426 A432R424-L428 HydrophobicContact CG-CD1 4.1Å; R424-L428 HydrophobicContact CG-CG 4.48Å; R424-L428 WeakPolarHBondContact O-CB 3.01Å; R424-L428 WeakPolarHBondContact O-CD1 3.46Å; R424-L428 WeakPolarHBondContact O-CG 3.39Å; R424-L428 PolarHBondContact O-N 3.47Å; S426-L428 PolarHBondContact O-N 3.4Å; L428-A432 WeakPolarHBondContact O-CB 3.29Å; L428-A432 PolarHBondContact O-N 3.28Å
429K62.9Low58.8Low149 Ų149104 Ų10465%0.64851%0.508SS*.Hα-helixtrans-69.2-46.4171.5-74.2178.2176.1-171.10111Q425 S426 V431 A432 Q433Q425-K429 WeakPolarHBondContact O-CG 3.19Å; Q425-K429 PolarHBondContact O-N 3.22Å; S426-K429 CarbonylContact O-C 3.57Å; S426-K429 WeakPolarHBondContact O-CA 3.33Å; S426-K429 WeakPolarHBondContact O-CB 3.42Å; S426-K429 PolarHBondContact O-N 3.22Å; K429-V431 PolarHBondContact O-N 3.38Å; K429-A432 PolarHBondContact O-N 3.21Å; K429-Q433 WeakPolarHBondContact O-CB 3.26Å; K429-Q433 PolarHBondContact O-N 3.12Å
430D65.2Low60.8Low85 Ų85106.3 Ų106.346%0.45551%0.514SS..Hα-helixtrans-60.4-46.6179.2-55-37.3000110.6S426 Q433 S434S426-D430 VanDerWaalsContact C-OD2 3.27Å; S426-D430 PolarHBondContact O-N 2.85Å; S426-D430 VanDerWaalsContact O-OD2 3.06Å; S426-D430 PolarHBondContact OG-OD2 3.13Å; D430-Q433 PolarHBondContact O-N 3.25Å; D430-S434 PolarHBondContact O-N 2.93Å; D430-S434 PolarHBondContact O-OG 3.22Å
431V66.1Low62.7Low67 Ų67106 Ų10641%0.40652%0.516SS..Hα-helixtrans-67-36.8175.5169.70000112.2V427 K429 Q433 R435V427-V431 HydrophobicContact CG1-CG2 4.13Å; V427-V431 VanDerWaalsContact O-CB 3.22Å; V427-V431 WeakPolarHBondContact O-CB 3.31Å; V427-V431 WeakPolarHBondContact O-CG2 3.25Å; V427-V431 PolarHBondContact O-N 2.96Å; K429-V431 PolarHBondContact O-N 3.38Å; V431-Q433 VanDerWaalsContact C-N 3.34Å; V431-R435 HydrophobicContact CG1-CG 4.42Å; V431-R435 VanDerWaalsContact O-CB 3.26Å; V431-R435 WeakPolarHBondContact O-CB 3.31Å; V431-R435 VanDerWaalsContact O-CG 3.25Å; V431-R435 WeakPolarHBondContact O-CG 3.46Å; V431-R435 PolarHBondContact O-N 3.36Å
432A68.7Low64.6Low53 Ų53108.1 Ų108.144%0.43852%0.522SS..Hα-helixtrans-66.2-37.7174.200000111.9L428 K429 R435 K436L428-A432 WeakPolarHBondContact O-CB 3.29Å; L428-A432 PolarHBondContact O-N 3.28Å; K429-A432 PolarHBondContact O-N 3.21Å; A432-R435 PolarHBondContact O-N 3.37Å; A432-K436 PolarHBondContact O-N 3.17Å; A432-K436 VanDerWaalsContact O-N 3.1Å
433Q73.4Confident66.5Low120 Ų120102.1 Ų102.156%0.56150%0.503SS*.Hα-helixtrans-69.4-49.3176.6-175.5167.4-32.100111.4K429 D430 V431 R435 K436 E437K429-Q433 WeakPolarHBondContact O-CB 3.26Å; K429-Q433 PolarHBondContact O-N 3.12Å; D430-Q433 PolarHBondContact O-N 3.25Å; V431-Q433 VanDerWaalsContact C-N 3.34Å; Q433-R435 VanDerWaalsContact C-N 3.26Å; Q433-R435 PolarHBondContact O-N 3.46Å; Q433-K436 WeakPolarHBondContact O-CA 3.44Å; Q433-K436 WeakPolarHBondContact O-CB 3.23Å; Q433-K436 PolarHBondContact O-N 3.1Å; Q433-E437 WeakPolarHBondContact CG-OE1 3.41Å; Q433-E437 PolarHBondContact NE2-OE1 3.37Å; Q433-E437 PolarHBondContact O-N 3.03Å
434S61.8Low68.4Low57 Ų57102.2 Ų102.240%0.39950%0.498SS..Hα-helixtrans-63-29.7173.9-63.10000112.9D430 E437 I438D430-S434 PolarHBondContact O-N 2.93Å; D430-S434 PolarHBondContact O-OG 3.22Å; S434-E437 PolarHBondContact O-N 2.96Å; S434-I438 WeakPolarHBondContact O-CB 3.19Å; S434-I438 WeakPolarHBondContact O-CD1 3.36Å; S434-I438 WeakPolarHBondContact O-CG1 3.36Å; S434-I438 PolarHBondContact O-N 2.92Å
435R65.8Low70Confident160 Ų160100.6 Ų100.660%0.60450%0.497SS*.Hα-helixtrans-65.5-36.9170.4-81.2-180177.1-156.2-1.5112.2V431 A432 Q433 Q439V431-R435 HydrophobicContact CG1-CG 4.42Å; V431-R435 VanDerWaalsContact O-CB 3.26Å; V431-R435 WeakPolarHBondContact O-CB 3.31Å; V431-R435 VanDerWaalsContact O-CG 3.25Å; V431-R435 WeakPolarHBondContact O-CG 3.46Å; V431-R435 PolarHBondContact O-N 3.36Å; A432-R435 PolarHBondContact O-N 3.37Å; Q433-R435 VanDerWaalsContact C-N 3.26Å; Q433-R435 PolarHBondContact O-N 3.46Å; R435-Q439 WeakPolarHBondContact O-CB 3.48Å; R435-Q439 PolarHBondContact O-N 2.89Å
436K80.4Confident71.9Confident152 Ų152100 Ų10066%0.66149%0.489SS*.Hα-helixtrans-66.5-46.6171.4-72.4-176.6175.5-171.30112A432 Q433 I438 Q439 E440A432-K436 PolarHBondContact O-N 3.17Å; A432-K436 VanDerWaalsContact O-N 3.1Å; Q433-K436 WeakPolarHBondContact O-CA 3.44Å; Q433-K436 WeakPolarHBondContact O-CB 3.23Å; Q433-K436 PolarHBondContact O-N 3.1Å; K436-I438 VanDerWaalsContact C-N 3.31Å; K436-I438 PolarHBondContact O-N 3.46Å; K436-Q439 WeakPolarHBondContact O-CA 3.44Å; K436-Q439 WeakPolarHBondContact O-CB 3.39Å; K436-Q439 PolarHBondContact O-N 2.99Å; K436-E440 PolarHBondContact O-N 3.04Å
437E80.2Confident73.8Confident89 Ų89101.4 Ų101.442%0.41649%0.489SS..Hα-helixtrans-59.5-41177.5-68.3164.6-173.600111.5Q433 S434 E440 L441Q433-E437 WeakPolarHBondContact CG-OE1 3.41Å; Q433-E437 PolarHBondContact NE2-OE1 3.37Å; Q433-E437 PolarHBondContact O-N 3.03Å; S434-E437 PolarHBondContact O-N 2.96Å; E437-E440 PolarHBondContact O-N 3.1Å; E437-L441 WeakPolarHBondContact O-CB 3.27Å; E437-L441 VanDerWaalsContact O-CG 3.24Å; E437-L441 WeakPolarHBondContact O-CG 3.44Å; E437-L441 PolarHBondContact O-N 2.93Å
438I76Confident74.8Confident88 Ų88104.9 Ų104.945%0.45150%0.498SS..Hα-helixtrans-66.4-36173.7-70.5165.2000112S434 K436 K442S434-I438 WeakPolarHBondContact O-CB 3.19Å; S434-I438 WeakPolarHBondContact O-CD1 3.36Å; S434-I438 WeakPolarHBondContact O-CG1 3.36Å; S434-I438 PolarHBondContact O-N 2.92Å; K436-I438 VanDerWaalsContact C-N 3.31Å; K436-I438 PolarHBondContact O-N 3.46Å; I438-K442 HydrophobicContact CG2-CD 4.29Å; I438-K442 WeakPolarHBondContact O-CB 3.32Å; I438-K442 VanDerWaalsContact O-CG 3.31Å; I438-K442 WeakPolarHBondContact O-CG 3.49Å; I438-K442 PolarHBondContact O-N 2.94Å
439Q77.5Confident75.8Confident98 Ų98105.7 Ų105.746%0.45850%0.5SS..Hα-helixtrans-65.5-48175.5-172.271.214.600111R435 K436 L441 K442 E443R435-Q439 WeakPolarHBondContact O-CB 3.48Å; R435-Q439 PolarHBondContact O-N 2.89Å; K436-Q439 WeakPolarHBondContact O-CA 3.44Å; K436-Q439 WeakPolarHBondContact O-CB 3.39Å; K436-Q439 PolarHBondContact O-N 2.99Å; Q439-L441 PolarHBondContact O-N 3.43Å; Q439-K442 CarbonylContact O-C 3.57Å; Q439-K442 WeakPolarHBondContact O-CB 3.31Å; Q439-K442 PolarHBondContact O-N 3.4Å; Q439-E443 PolarHBondContact NE2-OE1 2.83Å; Q439-E443 VanDerWaalsContact NE2-OE1 3.1Å; Q439-E443 PolarHBondContact O-N 3.3Å
440E85.7Confident76.7Confident96 Ų96106.6 Ų106.645%0.44950%0.499SS..Hα-helixtrans-60.2-42.9174.7-76.8-172.1-141.600112.4K436 E437 K442 E443 K444K436-E440 PolarHBondContact O-N 3.04Å; E437-E440 PolarHBondContact O-N 3.1Å; E440-K442 VanDerWaalsContact C-N 3.32Å; E440-K442 PolarHBondContact O-N 3.09Å; E440-E443 PolarHBondContact O-N 3.49Å; E440-E443 VanDerWaalsContact O-N 3.09Å; E440-K444 WeakPolarHBondContact O-CB 3.47Å; E440-K444 WeakPolarHBondContact O-CD 3.34Å; E440-K444 WeakPolarHBondContact O-CG 3.49Å; E440-K444 PolarHBondContact O-N 3.32Å; E440-K444 IonicContact OE2-NZ 2.79Å; E440-K444 PolarHBondContact OE2-NZ 2.84Å
441L79.3Confident77.5Confident115 Ų115108 Ų10860%0.60250%0.501SS*.Hα-helixtrans-63.8-38.4176.4-74169.1000111.3E437 Q439 E443 Q445E437-L441 WeakPolarHBondContact O-CB 3.27Å; E437-L441 VanDerWaalsContact O-CG 3.24Å; E437-L441 WeakPolarHBondContact O-CG 3.44Å; E437-L441 PolarHBondContact O-N 2.93Å; Q439-L441 PolarHBondContact O-N 3.43Å; L441-E443 VanDerWaalsContact C-N 3.26Å; L441-E443 PolarHBondContact O-N 3.19Å; L441-Q445 WeakPolarHBondContact O-CB 3.46Å; L441-Q445 PolarHBondContact O-N 3.04Å
442K78Confident78Confident122 Ų122107.4 Ų107.453%0.5350%0.503SS..Hα-helixtrans-68.3-20.7171.7-76.6177.1177.2-176.80113.9I438 Q439 E440 R446I438-K442 HydrophobicContact CG2-CD 4.29Å; I438-K442 WeakPolarHBondContact O-CB 3.32Å; I438-K442 VanDerWaalsContact O-CG 3.31Å; I438-K442 WeakPolarHBondContact O-CG 3.49Å; I438-K442 PolarHBondContact O-N 2.94Å; Q439-K442 CarbonylContact O-C 3.57Å; Q439-K442 WeakPolarHBondContact O-CB 3.31Å; Q439-K442 PolarHBondContact O-N 3.4Å; E440-K442 VanDerWaalsContact C-N 3.32Å; E440-K442 PolarHBondContact O-N 3.09Å; K442-R446 VanDerWaalsContact O-CG 3.32Å; K442-R446 WeakPolarHBondContact O-CG 3.39Å; K442-R446 PolarHBondContact O-N 2.97Å; K442-R446 PolarHBondContact O-NE 2.89Å
443E85.9Confident78.5Confident92 Ų92111.1 Ų111.143%0.4351%0.513SS..Hα-helixtrans-84.6-45.5174.8-79168.1-16800111Q439 E440 L441 Q445 R446 E447Q439-E443 PolarHBondContact NE2-OE1 2.83Å; Q439-E443 VanDerWaalsContact NE2-OE1 3.1Å; Q439-E443 PolarHBondContact O-N 3.3Å; E440-E443 PolarHBondContact O-N 3.49Å; E440-E443 VanDerWaalsContact O-N 3.09Å; L441-E443 VanDerWaalsContact C-N 3.26Å; L441-E443 PolarHBondContact O-N 3.19Å; E443-Q445 VanDerWaalsContact C-N 3.29Å; E443-Q445 PolarHBondContact O-N 3.46Å; E443-R446 PolarHBondContact O-N 2.71Å; E443-R446 IonicContact OE1-NH2 2.73Å; E443-R446 PolarHBondContact OE1-NH2 3.37Å; E443-E447 WeakPolarHBondContact O-CB 3.24Å; E443-E447 PolarHBondContact O-N 3.32Å
444K86.1Confident78.8Confident111 Ų111110.2 Ų110.248%0.48351%0.511SS..Hα-helixtrans-58.6-39.5170.1-70.1157.4-178.5161.80111.5E440 E447 F448E440-K444 WeakPolarHBondContact O-CB 3.47Å; E440-K444 WeakPolarHBondContact O-CD 3.34Å; E440-K444 WeakPolarHBondContact O-CG 3.49Å; E440-K444 PolarHBondContact O-N 3.32Å; E440-K444 IonicContact OE2-NZ 2.79Å; E440-K444 PolarHBondContact OE2-NZ 2.84Å; K444-E447 PolarHBondContact O-N 3.18Å; K444-F448 WeakPolarHBondContact O-CB 3.41Å; K444-F448 PolarHBondContact O-N 2.99Å
445Q76.9Confident79.3Confident112 Ų112113.1 Ų113.152%0.52352%0.522SS..Hα-helixtrans-59.5-53.9172.4-177.97930.500111.6L441 E443 E447 F448 E449L441-Q445 WeakPolarHBondContact O-CB 3.46Å; L441-Q445 PolarHBondContact O-N 3.04Å; E443-Q445 VanDerWaalsContact C-N 3.29Å; E443-Q445 PolarHBondContact O-N 3.46Å; Q445-E447 VanDerWaalsContact C-N 3.28Å; Q445-E447 PolarHBondContact O-N 2.92Å; Q445-F448 WeakPolarHBondContact O-CB 3.49Å; Q445-F448 PolarHBondContact O-N 2.84Å; Q445-F448 VanDerWaalsContact O-N 3.13Å; Q445-E449 WeakPolarHBondContact CG-OE1 3.34Å; Q445-E449 PolarHBondContact NE2-OE1 2.86Å; Q445-E449 WeakPolarHBondContact O-CG 3.38Å; Q445-E449 PolarHBondContact O-N 3.48Å
446R83Confident79.5Confident106 Ų106108.8 Ų108.840%0.452%0.516SS..Hα-helixtrans-63.2-32.3177.8-76.6-178.7-71162.8-4.6112.8K442 E443 R450K442-R446 VanDerWaalsContact O-CG 3.32Å; K442-R446 WeakPolarHBondContact O-CG 3.39Å; K442-R446 PolarHBondContact O-N 2.97Å; K442-R446 PolarHBondContact O-NE 2.89Å; E443-R446 PolarHBondContact O-N 2.71Å; E443-R446 IonicContact OE1-NH2 2.73Å; E443-R446 PolarHBondContact OE1-NH2 3.37Å; R446-R450 WeakPolarHBondContact O-CB 3.39Å; R446-R450 VanDerWaalsContact O-CG 3.25Å; R446-R450 WeakPolarHBondContact O-CG 3.34Å; R446-R450 PolarHBondContact O-N 3.11Å
447E85.7Confident79.2Confident89 Ų89106.7 Ų106.742%0.41651%0.508SS..Hα-helixtrans-68.3-41.1173.5-160.7-163.4161.500111.4E443 K444 Q445 R450 K451E443-E447 WeakPolarHBondContact O-CB 3.24Å; E443-E447 PolarHBondContact O-N 3.32Å; K444-E447 PolarHBondContact O-N 3.18Å; Q445-E447 VanDerWaalsContact C-N 3.28Å; Q445-E447 PolarHBondContact O-N 2.92Å; E447-R450 PolarHBondContact O-N 2.91Å; E447-K451 WeakPolarHBondContact O-CG 3.45Å; E447-K451 PolarHBondContact O-N 3.5Å; E447-K451 WeakPolarHBondContact OE1-CE 3.38Å; E447-K451 IonicContact OE1-NZ 3.54Å; E447-K451 PolarHBondContact OE1-NZ 3.44Å
448F79.4Confident78.7Confident155 Ų155106.3 Ų106.368%0.6851%0.509SS*.Hα-helixtrans-65.9-41.1175.1-138.2-82.4000112K444 Q445 K451 A452K444-F448 WeakPolarHBondContact O-CB 3.41Å; K444-F448 PolarHBondContact O-N 2.99Å; Q445-F448 WeakPolarHBondContact O-CB 3.49Å; Q445-F448 PolarHBondContact O-N 2.84Å; Q445-F448 VanDerWaalsContact O-N 3.13Å; F448-K451 PolarHBondContact O-N 3.35Å; F448-A452 WeakPolarHBondContact O-CB 3.48Å; F448-A452 PolarHBondContact O-N 2.92Å
449E73.8Confident78.1Confident103 Ų103105.1 Ų105.148%0.48151%0.512SS..Hα-helixtrans-63.1-42.7174.9-73.8162.7-174.200111.6Q445 A452 M453Q445-E449 WeakPolarHBondContact CG-OE1 3.34Å; Q445-E449 PolarHBondContact NE2-OE1 2.86Å; Q445-E449 WeakPolarHBondContact O-CG 3.38Å; Q445-E449 PolarHBondContact O-N 3.48Å; E449-A452 PolarHBondContact O-N 3.31Å; E449-M453 WeakPolarHBondContact O-CB 3.3Å; E449-M453 PolarHBondContact O-N 2.97Å
450R81.1Confident77.1Confident169 Ų169107.6 Ų107.664%0.63852%0.521SS*.Hα-helixtrans-61.3-44.7171.6-74.7167.3180155-4.8112.3R446 E447 A452 M453 L454R446-R450 WeakPolarHBondContact O-CB 3.39Å; R446-R450 VanDerWaalsContact O-CG 3.25Å; R446-R450 WeakPolarHBondContact O-CG 3.34Å; R446-R450 PolarHBondContact O-N 3.11Å; E447-R450 PolarHBondContact O-N 2.91Å; R450-A452 VanDerWaalsContact C-N 3.35Å; R450-A452 PolarHBondContact O-N 3.31Å; R450-M453 PolarHBondContact O-N 3.09Å; R450-L454 WeakPolarHBondContact O-CB 3.45Å; R450-L454 PolarHBondContact O-N 3.09Å
451K82Confident75.6Confident115 Ų115108.7 Ų108.750%0.553%0.526SS..Hα-helixtrans-63.4-39.6177.1-73.7171.5-175.7173.80111.8E447 F448 L455E447-K451 WeakPolarHBondContact O-CG 3.45Å; E447-K451 PolarHBondContact O-N 3.5Å; E447-K451 WeakPolarHBondContact OE1-CE 3.38Å; E447-K451 IonicContact OE1-NZ 3.54Å; E447-K451 PolarHBondContact OE1-NZ 3.44Å; F448-K451 PolarHBondContact O-N 3.35Å; K451-L455 WeakPolarHBondContact O-CB 3.45Å; K451-L455 WeakPolarHBondContact O-CG 3.44Å; K451-L455 PolarHBondContact O-N 3.01Å
452A76.4Confident74.3Confident53 Ų53111.8 Ų111.844%0.43854%0.535SS..Hα-helixtrans-66.5-40.4174.200000112.4F448 E449 R450 L455 S456F448-A452 WeakPolarHBondContact O-CB 3.48Å; F448-A452 PolarHBondContact O-N 2.92Å; E449-A452 PolarHBondContact O-N 3.31Å; R450-A452 VanDerWaalsContact C-N 3.35Å; R450-A452 PolarHBondContact O-N 3.31Å; A452-L455 PolarHBondContact O-N 3.36Å; A452-S456 PolarHBondContact O-N 2.98Å
453M79.2Confident72.8Confident132 Ų132110 Ų11065%0.6554%0.538SS*.Hα-helixtrans-65.7-41.7176.4-167.2171.8-170.700111.9E449 R450 S456 Q457E449-M453 WeakPolarHBondContact O-CB 3.3Å; E449-M453 PolarHBondContact O-N 2.97Å; R450-M453 PolarHBondContact O-N 3.09Å; M453-S456 CarbonylContact O-C 3.57Å; M453-S456 WeakPolarHBondContact O-CA 3.4Å; M453-S456 WeakPolarHBondContact O-CB 3.44Å; M453-S456 PolarHBondContact O-N 3.1Å; M453-S456 VanDerWaalsContact O-N 3.13Å; M453-Q457 PolarHBondContact O-N 3.09Å
454L79.7Confident70.6Confident101 Ų101110.1 Ų110.153%0.52955%0.549SS..Hα-helixtrans-69-38.7176.9-165.3149.1000111.7R450 S456 Q457 L458R450-L454 WeakPolarHBondContact O-CB 3.45Å; R450-L454 PolarHBondContact O-N 3.09Å; L454-S456 VanDerWaalsContact C-N 3.29Å; L454-S456 PolarHBondContact O-N 3.42Å; L454-Q457 PolarHBondContact O-N 3.45Å; L454-Q457 VanDerWaalsContact O-N 3.16Å; L454-L458 HydrophobicContact CD2-CD1 3.71Å; L454-L458 HydrophobicContact CD2-CG 4.24Å; L454-L458 WeakPolarHBondContact O-CG 3.14Å; L454-L458 PolarHBondContact O-N 2.88Å
455L73.6Confident68.5Low118 Ų118109.2 Ų109.262%0.61856%0.556SS**Hα-helixtrans-59.5-37.9167.4-82164.3000112.3K451 A452 Q457 A459K451-L455 WeakPolarHBondContact O-CB 3.45Å; K451-L455 WeakPolarHBondContact O-CG 3.44Å; K451-L455 PolarHBondContact O-N 3.01Å; A452-L455 PolarHBondContact O-N 3.36Å; L455-Q457 VanDerWaalsContact C-N 3.34Å; L455-A459 VanDerWaalsContact O-CB 3.3Å; L455-A459 WeakPolarHBondContact O-CB 3.34Å; L455-A459 PolarHBondContact O-N 2.96Å
456S70.4Confident66.8Low68 Ų68112.2 Ų112.248%0.47657%0.568SS.*Hα-helixtrans-69.5-27174.7-175.60000113.5A452 M453 L454 K460A452-S456 PolarHBondContact O-N 2.98Å; M453-S456 CarbonylContact O-C 3.57Å; M453-S456 WeakPolarHBondContact O-CA 3.4Å; M453-S456 WeakPolarHBondContact O-CB 3.44Å; M453-S456 PolarHBondContact O-N 3.1Å; M453-S456 VanDerWaalsContact O-N 3.13Å; L454-S456 VanDerWaalsContact C-N 3.29Å; L454-S456 PolarHBondContact O-N 3.42Å; S456-K460 PolarHBondContact O-N 2.71Å
457Q72.9Confident64.4Low108 Ų108114.8 Ų114.851%0.50559%0.589SS.*Hα-helixtrans-75.1-47.9173.2-72.2176.4-8200110.6M453 L454 L455 A459 K460 E461M453-Q457 PolarHBondContact O-N 3.09Å; L454-Q457 PolarHBondContact O-N 3.45Å; L454-Q457 VanDerWaalsContact O-N 3.16Å; L455-Q457 VanDerWaalsContact C-N 3.34Å; Q457-A459 PolarHBondContact O-N 2.89Å; Q457-K460 WeakPolarHBondContact O-CA 3.37Å; Q457-K460 WeakPolarHBondContact O-CB 3.25Å; Q457-K460 PolarHBondContact O-N 3.36Å; Q457-E461 PolarHBondContact O-N 3.14Å
458L70.4Confident61.8Low82 Ų82120 Ų12043%0.42961%0.614SS.*Hα-helixtrans-59.8-32.4174.1-67.9171.9000112.7L454 K462L454-L458 HydrophobicContact CD2-CD1 3.71Å; L454-L458 HydrophobicContact CD2-CG 4.24Å; L454-L458 WeakPolarHBondContact O-CG 3.14Å; L454-L458 PolarHBondContact O-N 2.88Å; L458-K462 WeakPolarHBondContact O-CB 3.41Å; L458-K462 WeakPolarHBondContact O-CG 3.47Å; L458-K462 PolarHBondContact O-N 2.92Å; L458-K462 VanDerWaalsContact O-N 3.15Å
459A63.1Low59.5Low62 Ų62117 Ų11751%0.51262%0.618SS.*Hα-helixtrans-69-36.4171.800000112.6L455 Q457 S463L455-A459 VanDerWaalsContact O-CB 3.3Å; L455-A459 WeakPolarHBondContact O-CB 3.34Å; L455-A459 PolarHBondContact O-N 2.96Å; Q457-A459 PolarHBondContact O-N 2.89Å; A459-S463 PolarHBondContact O-N 2.89Å
460K56.8Low57.5Low151 Ų151116.5 Ų116.566%0.65763%0.631SS**Hα-helixtrans-69.2-44.1174.3-88.4-171.5170.8-173.10112.3S456 Q457 K462 S463 S464S456-K460 PolarHBondContact O-N 2.71Å; Q457-K460 WeakPolarHBondContact O-CA 3.37Å; Q457-K460 WeakPolarHBondContact O-CB 3.25Å; Q457-K460 PolarHBondContact O-N 3.36Å; K460-K462 VanDerWaalsContact C-N 3.27Å; K460-K462 PolarHBondContact O-N 3.42Å; K460-S463 WeakPolarHBondContact CA-OG 3.45Å; K460-S463 CarbonylContact O-C 3.53Å; K460-S463 WeakPolarHBondContact O-CA 3.48Å; K460-S463 WeakPolarHBondContact O-CB 3.39Å; K460-S463 PolarHBondContact O-N 3.13Å; K460-S463 PolarHBondContact O-OG 3.22Å; K460-S464 PolarHBondContact O-N 3.35Å
461E53.7Low55.1Low119 Ų119117.3 Ų117.356%0.55664%0.639SS**Hα-helixtrans-62.4-35.7177.1-69.5168.7172.800111.8Q457 S463 S464Q457-E461 PolarHBondContact O-N 3.14Å; E461-S463 PolarHBondContact O-N 3.01Å; E461-S464 PolarHBondContact O-N 3.43Å; E461-S464 PolarHBondContact O-OG 3.39Å
462K51.4Low52.6Low179 Ų179120.3 Ų120.378%0.77865%0.652SS**THydrogen-bonded Turntrans-70-15170.1-75.9-175.8175.9-176.60114.5L458 K460L458-K462 WeakPolarHBondContact O-CB 3.41Å; L458-K462 WeakPolarHBondContact O-CG 3.47Å; L458-K462 PolarHBondContact O-N 2.92Å; L458-K462 VanDerWaalsContact O-N 3.15Å; K460-K462 VanDerWaalsContact C-N 3.27Å; K460-K462 PolarHBondContact O-N 3.42Å
463S46.6Very low50.4Low85 Ų85124.8 Ų124.859%0.59467%0.669SS**THydrogen-bonded Turntrans-95.8-17.4173.570.90000114A459 K460 E461 S465A459-S463 PolarHBondContact O-N 2.89Å; K460-S463 WeakPolarHBondContact CA-OG 3.45Å; K460-S463 CarbonylContact O-C 3.53Å; K460-S463 WeakPolarHBondContact O-CA 3.48Å; K460-S463 WeakPolarHBondContact O-CB 3.39Å; K460-S463 PolarHBondContact O-N 3.13Å; K460-S463 PolarHBondContact O-OG 3.22Å; E461-S463 PolarHBondContact O-N 3.01Å; S463-S465 PolarHBondContact O-N 2.84Å
464S39.5Very low48Very low95 Ų95124.7 Ų124.766%0.66468%0.676SS**THydrogen-bonded Turntrans-95.724.9-176.165.90000114.2K460 E461K460-S464 PolarHBondContact O-N 3.35Å; E461-S464 PolarHBondContact O-N 3.43Å; E461-S464 PolarHBondContact O-OG 3.39Å
465S43.3Very low45.7Very low91 Ų91128 Ų12864%0.63669%0.694SS**THydrogen-bonded Turntrans-121.87.9-176.452.30000114.4S463S463-S465 PolarHBondContact O-N 2.84Å
466K40.8Very low43.6Very low176 Ų176126.7 Ų126.777%0.76570%0.699SS**SBendtrans-142.5150.9169.2-70-161.4173.3-167.20112.4
467D33.6Very low42.4Very low159 Ų159129.2 Ų129.285%0.8571%0.714SS**  trans70.762.9163.7-49.8-20.2000117.4
468E30.4Very low40.2Very low199 Ų199131.9 Ų131.993%0.9373%0.731SS**  trans-97.7109.4150.2180179.8-128.600109.7
469A31.4Very low38.2Very low93 Ų93135.6 Ų135.677%0.76975%0.746SS**  trans-163.3139.2166.600000112.5
470A31.8Very low36.5Very low91 Ų91142 Ų14275%0.75276%0.757SS**  trans58.9104.917200000117.2
471F29.5Very low35Very low187 Ų187143.5 Ų143.582%0.8276%0.764SS**  66.7134.789.7-90.1-143.7000115
472K30.6Very low33.9Very low177 Ų177145.6 Ų145.677%0.7777%0.773SS**  cis-154.4161.818.4-145.6167.2-171.6173.20112.6
473N30.3Very low33.1Very low147 Ų147143 Ų14379%0.78678%0.775SS**  trans-70.7158.4-172.5-50.2-35.2000115.5
474T28.7Very low32.1Very low130 Ų130145.2 Ų145.280%0.79878%0.78SS**  -167.5138.4112.413.40000116.6
475L30.3Very low31.6Very low172 Ų172146.5 Ų146.590%0.90178%0.783SS**  trans73.9163.1148.3-69.2166.5000121.5
476A30.9Very low30.9Very low89 Ų89148 Ų14874%0.73679%0.789SS**  trans-134.3168.8-150.800000112.6
477P44.5Very low30.4Very low122 Ų122149.1 Ų149.179%0.79279%0.794SS**  trans-96.8147.7-160.636.2-34.6000115.5
478L26.2Very low30.5Very low164 Ų164147.4 Ų147.486%0.85979%0.792SS**  trans-139.9144.5164.6-83176.7000113.8
479Q29.5Very low30.3Very low159 Ų159144.4 Ų144.474%0.74378%0.782SS**  trans-24.6160.5166.8-49.6171.14.500117
480R25.9Very low30.2Very low197 Ų197147.4 Ų147.474%0.74378%0.778SS**  168.1126.371.6-179.4172.9172.8130.6-11.6114.8
481K25.5Very low30.1Very low183 Ų183150.8 Ų150.880%0.79678%0.778SS**  trans60.3158.4149.5-64.8-177.9178.4-170.90122.3
482Q30.7Very low29.9Very low163 Ų163149.7 Ų149.776%0.76278%0.775SS**  trans-79.1177.4170-57.3175.8-6.300112.4
483P35.7Very low29.7Very low125 Ų125145.6 Ų145.681%0.81278%0.775SS**  -142.9131.6104.136.8-23000117.9
484N25.3Very low29.5Very low131 Ų131144.8 Ų144.870%0.70178%0.775SS**  31.8136.3128.5-85.7-5.3000124.8
485V28.4Very low29.3Very low121 Ų121144.8 Ų144.873%0.73377%0.774SS**  trans73.4128137176.90000115.9
486T28.3Very low29.3Very low124 Ų124145.2 Ų145.276%0.76177%0.772SS**  -156.3161.557.7-36.80000113.4
487K30.9Very low29.5Very low198 Ų198146.6 Ų146.686%0.86177%0.773SS**  trans-122.2141.3160.8-75.1-175178.3179.70110.1
488P35Very low28.5Very low124 Ų124148.1 Ų148.181%0.80577%0.771SS**  -145.3-175.9113.537.4-22.8000112.7
489N26.7Very low28.5Very low136 Ų136148.2 Ų148.273%0.72777%0.767SS**  -163.1159.1-52.1-166.87.1000108.8
490K29.5Very low28.3Very low156 Ų156146.8 Ų146.868%0.67877%0.769SS**  trans68.7130.4163.8-72.7179.2-179.3179.90121.6
491Q28.6Very low28.2Very low161 Ų161141.8 Ų141.875%0.75277%0.765SS**  trans69.7159.2138.4-66.4165.1-31.600121
492Q26.5Very low28.2Very low165 Ų165141.5 Ų141.577%0.77177%0.766SS**  cis-167.9113.8-41.4-173.5164.4-4.800110.9
493A27.1Very low27.9Very low91 Ų91141.7 Ų141.775%0.75277%0.771SS**  trans67.3171.5156.900000121.4
494V24.4Very low27.5Very low130 Ų130143.8 Ų143.879%0.78877%0.77SS**  trans86.5104.5160.2-179.80000119.9
495V26Very low28.6Very low129 Ų129142.5 Ų142.578%0.78277%0.769SS**  trans77.2134.9142171.40000121.3
496Q30.1Very low28.5Very low182 Ų182143.3 Ų143.385%0.8577%0.769SS**  trans-95.7153.1161.1-60.1179.9-7.600109.7
497P34.1Very low28.4Very low117 Ų117144.2 Ų144.276%0.7676%0.764SS**  -152144.2103.336.4-18.9000117.3
498M24.1Very low28.2Very low154 Ų154141.9 Ų141.976%0.75976%0.756SS**  trans44.2150.5136-91.6172.85700124.9
499Q26.4Very low27.7Very low166 Ų166143.1 Ų143.178%0.77676%0.755SS**  trans75.5151.1158.2-69.9173.5-9.400117.1
500V25.5Very low27.7Very low130 Ų130140.7 Ų140.779%0.78875%0.754SS**  cis-144.8177.6-2.1100.10000113.6
501S22.9Very low27.4Very low92 Ų92139.9 Ų139.964%0.64376%0.762SS**  trans-75.6176.4-167.4-36.40000119.4
502Q25.9Very low27.2Very low177 Ų177137.6 Ų137.683%0.82776%0.759SS**  trans80.4113.3147.5-72.7174.35.600121
503L25.8Very low27Very low167 Ų167141.9 Ų141.987%0.87477%0.767SS**  -179.2158.9100.6-95165.6000114.1
504Q25.7Very low26.9Very low168 Ų168146 Ų14679%0.78577%0.768SS**  trans-141.4-175.4165.5-77.9-164.7-36.800105.8
505P48.6Very low26.9Very low104 Ų104148.4 Ų148.468%0.67577%0.771SS**  cis-138.4-139.64.443.7-22.8000114
506L25.7Very low26.8Very low139 Ų139146.4 Ų146.473%0.72876%0.763SS**  trans93.9139.5169.2-50.3-178.1000115.9
507Q28Very low26.4Very low142 Ų142144.1 Ų144.166%0.66476%0.761SS**  cis-167.1161.9-11.3-126.5173.7-6.300114.5
508H26.6Very low25.7Very low149 Ų149143.3 Ų143.369%0.6976%0.757SS**  trans60174.7155.4-72.2-68.4000121.4
509L24.5Very low25.7Very low151 Ų151142.1 Ų142.179%0.79176%0.758SS**  -166.7168.7-65.3-149.380.8000111.2
510A25.3Very low25.5Very low84 Ų84140.5 Ų140.569%0.69476%0.76SS**  trans75.2157.3155.400000118.7
511V24.4Very low25.6Very low140 Ų140143.4 Ų143.485%0.84876%0.762SS**  cis-153155.6-19122.30000113.3
512V24.6Very low25.6Very low113 Ų113147.9 Ų147.969%0.68577%0.773SS**  trans-43.2145176.5174.60000119.9
513R22.2Very low25.8Very low254 Ų254148.9 Ų148.996%0.95877%0.774SS**  trans-151.7170.8130.2-117.7171.7177.5138.40.3113.8
514K25.1Very low25.8Very low177 Ų177151 Ų15177%0.7778%0.776SS**  trans-124.5178.4-158.4-69.9-176.8171.7-179.90114.1
515Q23.4Very low25.9Very low181 Ų181150.8 Ų150.885%0.84677%0.773SS**  trans97.5147.4150.5-72.4169.7-73.700118.5
516S23.8Very low24.7Very low87 Ų87154.1 Ų154.161%0.60878%0.784SS**  cis178.6144.8-32.348.80000112
517V21.3Very low24.7Very low134 Ų134150.2 Ų150.281%0.81277%0.769SS**  trans67.5147.8146.51660000117
518C20.8Very low24.7Very low100 Ų100149.7 Ų149.768%0.67677%0.77SS**  cis-171157.9-23.4-101.50000110.6
519V23.6Very low24.9Very low129 Ų129149 Ų14978%0.78277%0.771SS**  trans69.4150.5151.1172.40000114.3
520T21.8Very low25.2Very low132 Ų132147.9 Ų147.981%0.8177%0.77SS**  cis-141.8-179.433.6-30.70000114.1
521K27.8Very low25.2Very low191 Ų191151.1 Ų151.183%0.8377%0.771SS**  trans-86.1165.9175.7-47.4161.5-175.4165.90112
522E23.5Very low25.8Very low187 Ų187149.8 Ų149.887%0.87477%0.765SS**  -154.8174.8119.9-128.1-178.6-148.900114.1
523K29.8Very low26.4Very low197 Ų197149.4 Ų149.486%0.85777%0.765SS**  trans-136.6153.1176.6-80.4-174.4175.4-176.90108.9
524K24.9Very low26.6Very low211 Ų211144.8 Ų144.892%0.91776%0.759SS**  trans-138.8153.8149.8-121.4167.3-175.3170.60111.9
525K27.4Very low26.6Very low164 Ų164139.7 Ų139.771%0.71376%0.757SS**  trans-141.2151.1-174.7-168.8-162.9178.6-131.80106.4S527K525-S527 PolarHBondContact NZ-OG 3.3Å
526L24.9Very low26.9Very low174 Ų174141.1 Ų141.191%0.91176%0.76SS**  trans-141147.5163.7-165.261.6000108.1
527S25.4Very low27.3Very low58 Ų58145.7 Ų145.741%0.40677%0.772SS.*  trans-168.7-177.5-15945.80000113.7K525K525-S527 PolarHBondContact NZ-OG 3.3Å
528D28.3Very low27.8Very low131 Ų131147.1 Ų147.170%0.70178%0.775SS**  trans72.3134.2153.8-45.3-41.9000115.7
529L30.5Very low28.3Very low134 Ų134149 Ų14970%0.70278%0.784SS**  cis-134.3-162.41.2-100.4153.9000108.5E531L529-E531 HydrophobicContact CD2-CB 4.44Å; L529-E531 HydrophobicContact CD2-CG 3.64Å
530V29.9Very low28.8Very low127 Ų127149.2 Ų149.277%0.7778%0.776SS**  cis-14413114.4-174.90000104.6
531E25.6Very low29.6Very low153 Ų153145.1 Ų145.172%0.71575%0.752SS**  68150.966.5-70-162.3-176.200116.2L529L529-E531 HydrophobicContact CD2-CB 4.44Å; L529-E531 HydrophobicContact CD2-CG 3.64Å
532P36.5Very low30.3Very low112 Ų112140.5 Ų140.573%0.72774%0.744SS**  cis-128.6-156.58.546.3-30.5000112.6
533P38.4Very low31.8Very low105 Ų105134.7 Ų134.768%0.68272%0.715SS**  cis-127.2-178.4-22.626.7-3.9000115.1
534D25.5Very low32.7Very low156 Ų156127.4 Ų127.483%0.83468%0.683SS**  trans58.885.4149.1-65.5-15.3000122.8
535G26.6Very low34Very low70 Ų70120.9 Ų120.972%0.72267%0.665SS**  70.1106.199.800000121.4
536K29.5Very low35.2Very low212 Ų212118.8 Ų118.892%0.92266%0.657SS**  -159.6156.1127.2-111.1147.5-168.9159.30113.7
537E30.6Very low36.8Very low183 Ų183112.6 Ų112.686%0.85563%0.625SS**  trans-96.5-177-159.6-58.6169.8102.600114.3V539E537-V539 PolarHBondContact O-N 3.09Å
538N32.7Very low38.5Very low163 Ų163114.8 Ų114.887%0.87263%0.632SS**  trans-51.8124.5166-71.8-62.1000111.3E540N538-E540 VanDerWaalsContact C-N 3.33Å; N538-E540 PolarHBondContact O-N 3.43Å
539V31.2Very low40.2Very low141 Ų141116.2 Ų116.286%0.85563%0.632SS**  trans-74.791.3164.9-178.40000108.6E537E537-V539 PolarHBondContact O-N 3.09Å
540E33.2Very low41.7Very low133 Ų133113.3 Ų113.362%0.62162%0.623SS**  trans-54.7161.4166.5-169.3177.8-134.300110.9N538 S542N538-E540 VanDerWaalsContact C-N 3.33Å; N538-E540 PolarHBondContact O-N 3.43Å; E540-S542 PolarHBondContact O-N 3.3Å
541S39.8Very low43.4Very low45 Ų45110.1 Ų110.132%0.31560%0.604SS.*  trans-41.5102.7175.7-67.70000113W543 E544S541-W543 PolarHBondContact O-N 3.23Å; S541-E544 WeakPolarHBondContact CB-OE2 3.36Å; S541-E544 PolarHBondContact O-N 3.33Å; S541-E544 PolarHBondContact OG-OE2 2.95Å
542S42.9Very low45.4Very low95 Ų95103.6 Ų103.666%0.66457%0.573SS**THydrogen-bonded Turntrans-58.313.7-179.1179.40000116.5E540E540-S542 PolarHBondContact O-N 3.3Å
543W55Low47.1Very low65 Ų65102.8 Ų102.825%0.24656%0.563CS.*THydrogen-bonded Turntrans-138.7-9.4178.959.3-84.1000113.1S541 K617 L620S541-W543 PolarHBondContact O-N 3.23Å; W543-K617 HydrophobicContact CD2-CD 4.45Å; W543-K617 HydrophobicContact CH2-CB 4.49Å; W543-L620 HydrophobicContact CZ3-CD1 4.26Å
544E48Very low48.8Very low43 Ų43102.6 Ų102.620%0.20155%0.553CS.*THydrogen-bonded Turntrans-86.6-29.3172.7-69.8-175.398.200111.1S541 Q546 K556S541-E544 WeakPolarHBondContact CB-OE2 3.36Å; S541-E544 PolarHBondContact O-N 3.33Å; S541-E544 PolarHBondContact OG-OE2 2.95Å; E544-Q546 PolarHBondContact O-N 2.98Å; E544-Q546 VanDerWaalsContact O-N 3.09Å; E544-K556 IonicContact OE1-NZ 3.85Å; E544-K556 PolarHBondContact OE1-NZ 3.39Å
545S51.7Low51Low75 Ų7595.3 Ų95.352%0.52451%0.514SS..THydrogen-bonded Turntrans-67.7-2.4175-29.40000114.7
546Q52.9Low53.4Low119 Ų11994.1 Ų94.156%0.55649%0.489SS*.THydrogen-bonded Turntrans-111.611.2-172.2-64.6179-38.100113.3E544E544-Q546 PolarHBondContact O-N 2.98Å; E544-Q546 VanDerWaalsContact O-N 3.09Å
547L57.9Low55.7Low45 Ų4589.3 Ų89.324%0.23647%0.47CS..SBendtrans-131.9151.6-178.9-68170.9000110.3K549 L552 T624 L626L547-K549 PolarHBondContact O-N 3.02Å; L547-L552 HydrophobicContact CB-CD1 4.29Å; L547-L552 HydrophobicContact CD1-CD1 3.81Å; L547-T624 HydrophobicContact CD2-CG2 4.44Å; L547-L626 HydrophobicContact CD2-CD1 3.81Å
548D62.1Low58.1Low103 Ų10385.1 Ų85.155%0.55145%0.449SS*.  trans-60.5121.4174.7-170.5-36000110.5S550 V551 L552D548-S550 VanDerWaalsContact CG-OG 3.22Å; D548-S550 PolarHBondContact O-N 3.09Å; D548-S550 WeakPolarHBondContact OD1-CB 3.49Å; D548-S550 PolarHBondContact OD1-N 3.26Å; D548-S550 PolarHBondContact OD1-OG 2.88Å; D548-S550 PolarHBondContact OD2-OG 3.42Å; D548-V551 HydrophobicContact CB-CB 4.49Å; D548-V551 HydrophobicContact CB-CG2 4.24Å; D548-V551 PolarHBondContact O-N 3.13Å; D548-L552 WeakPolarHBondContact O-CB 3.32Å; D548-L552 PolarHBondContact O-N 3.2Å
549K63Low60.3Low162 Ų16277.4 Ų77.470%0.70441%0.408SS*.Hα-helixtrans-62.5-26.6-176.4-65.6-174.3177.1-174.90112.4L547 N553L547-K549 PolarHBondContact O-N 3.02Å; K549-N553 WeakPolarHBondContact O-CB 3.39Å; K549-N553 PolarHBondContact O-N 3.16Å
550S63.5Low62.9Low73 Ų7371.5 Ų71.551%0.5137%0.371SS..Hα-helixtrans-68.4-57.5176.9660000111.5D548 L552 N553 E554D548-S550 VanDerWaalsContact CG-OG 3.22Å; D548-S550 PolarHBondContact O-N 3.09Å; D548-S550 WeakPolarHBondContact OD1-CB 3.49Å; D548-S550 PolarHBondContact OD1-N 3.26Å; D548-S550 PolarHBondContact OD1-OG 2.88Å; D548-S550 PolarHBondContact OD2-OG 3.42Å; S550-L552 VanDerWaalsContact C-N 3.28Å; S550-L552 PolarHBondContact O-N 3.23Å; S550-N553 PolarHBondContact O-N 3.32Å; S550-N553 VanDerWaalsContact O-N 3.13Å; S550-E554 PolarHBondContact O-N 3.03Å
551V65.6Low65.3Low60 Ų6070.7 Ų70.736%0.36437%0.367SS..Hα-helixtrans-61.6-36.3179.3-175.60000111.5D548 S555 T624D548-V551 HydrophobicContact CB-CB 4.49Å; D548-V551 HydrophobicContact CB-CG2 4.24Å; D548-V551 PolarHBondContact O-N 3.13Å; V551-S555 WeakPolarHBondContact O-CB 3.29Å; V551-S555 PolarHBondContact O-N 3.21Å; V551-S555 PolarHBondContact O-OG 3.22Å; V551-T624 HydrophobicContact CG1-CG2 4.34Å
552L66.2Low67.4Low15 Ų1571.1 Ų71.18%0.07937%0.366CS..Hα-helixtrans-62.3-44.7175.3-162.281.7000111.6L547 D548 S550 K556 L620L547-L552 HydrophobicContact CB-CD1 4.29Å; L547-L552 HydrophobicContact CD1-CD1 3.81Å; D548-L552 WeakPolarHBondContact O-CB 3.32Å; D548-L552 PolarHBondContact O-N 3.2Å; S550-L552 VanDerWaalsContact C-N 3.28Å; S550-L552 PolarHBondContact O-N 3.23Å; L552-K556 WeakPolarHBondContact O-CG 3.28Å; L552-K556 PolarHBondContact O-N 3.46Å; L552-L620 HydrophobicContact CD1-CD1 4.03Å; L552-L620 HydrophobicContact CD1-CD2 4.06Å; L552-L620 HydrophobicContact CD1-CG 4.49Å
553N72.6Confident69.4Low95 Ų9566.6 Ų66.651%0.50833%0.334SS..Hα-helixtrans-72-41.1-178.7-162.320.2000111.7K549 S550 S555 K556 Q557K549-N553 WeakPolarHBondContact O-CB 3.39Å; K549-N553 PolarHBondContact O-N 3.16Å; S550-N553 PolarHBondContact O-N 3.32Å; S550-N553 VanDerWaalsContact O-N 3.13Å; N553-S555 VanDerWaalsContact C-N 3.31Å; N553-S555 PolarHBondContact O-N 3.2Å; N553-K556 PolarHBondContact O-N 3.2Å; N553-Q557 WeakPolarHBondContact O-CG 3.33Å; N553-Q557 PolarHBondContact O-N 2.99Å
554E74.1Confident70.9Confident101 Ų10164.6 Ų64.647%0.47233%0.328SS..Hα-helixtrans-60.9-40.7174.6-159.2-145.2-170.700111.6S550 Q557 K558S550-E554 PolarHBondContact O-N 3.03Å; E554-Q557 PolarHBondContact O-N 3.47Å; E554-K558 VanDerWaalsContact CD-CE 3.41Å; E554-K558 WeakPolarHBondContact O-CG 3.39Å; E554-K558 PolarHBondContact O-N 2.98Å; E554-K558 WeakPolarHBondContact OE1-CE 3.47Å; E554-K558 IonicContact OE1-NZ 2.88Å; E554-K558 PolarHBondContact OE1-NZ 3.37Å; E554-K558 IonicContact OE2-NZ 3.28Å; E554-K558 PolarHBondContact OE2-NZ 3.38Å
555S72.1Confident72.6Confident4 Ų466.5 Ų66.53%0.02834%0.343CS..Hα-helixtrans-64-42.8173.7-59.90000112.1V551 N553 K558 I559V551-S555 WeakPolarHBondContact O-CB 3.29Å; V551-S555 PolarHBondContact O-N 3.21Å; V551-S555 PolarHBondContact O-OG 3.22Å; N553-S555 VanDerWaalsContact C-N 3.31Å; N553-S555 PolarHBondContact O-N 3.2Å; S555-K558 PolarHBondContact O-N 2.98Å; S555-I559 WeakPolarHBondContact O-CG1 3.5Å; S555-I559 PolarHBondContact O-N 2.88Å; S555-I559 VanDerWaalsContact O-N 3.13Å
556K76.9Confident74Confident45 Ų4563.1 Ų63.120%0.19632%0.32CS..Hα-helixtrans-60-45.4174.7-75.9179.1-178.7-176.20110.8E544 L552 N553 I559 L560 L598 M616 L620E544-K556 IonicContact OE1-NZ 3.85Å; E544-K556 PolarHBondContact OE1-NZ 3.39Å; L552-K556 WeakPolarHBondContact O-CG 3.28Å; L552-K556 PolarHBondContact O-N 3.46Å; N553-K556 PolarHBondContact O-N 3.2Å; K556-I559 PolarHBondContact O-N 3.44Å; K556-L560 PolarHBondContact O-N 2.88Å; K556-L598 HydrophobicContact CB-CD1 3.61Å; K556-L598 HydrophobicContact CD-CD1 4.49Å; K556-L598 HydrophobicContact CG-CD1 3.75Å; K556-M616 HydrophobicContact CG-CE 3.9Å; K556-L620 HydrophobicContact CG-CD2 4.4Å
557Q78.4Confident75.3Confident110 Ų11060.4 Ų60.451%0.51431%0.313SS..Hα-helixtrans-64.4-42.2177.1-69.6-63.8-13.300113.4N553 E554 I559 L560 H561N553-Q557 WeakPolarHBondContact O-CG 3.33Å; N553-Q557 PolarHBondContact O-N 2.99Å; E554-Q557 PolarHBondContact O-N 3.47Å; Q557-I559 VanDerWaalsContact C-N 3.3Å; Q557-I559 PolarHBondContact O-N 3.09Å; Q557-L560 PolarHBondContact O-N 3.14Å; Q557-H561 PolarHBondContact O-N 3.4Å
558K79.9Confident76.4Confident95 Ų9561 Ų6141%0.41332%0.316SS..Hα-helixtrans-59.9-38.7175.3-75.1168.8-179.3169.60112.3E554 S555 I562E554-K558 VanDerWaalsContact CD-CE 3.41Å; E554-K558 WeakPolarHBondContact O-CG 3.39Å; E554-K558 PolarHBondContact O-N 2.98Å; E554-K558 WeakPolarHBondContact OE1-CE 3.47Å; E554-K558 IonicContact OE1-NZ 2.88Å; E554-K558 PolarHBondContact OE1-NZ 3.37Å; E554-K558 IonicContact OE2-NZ 3.28Å; E554-K558 PolarHBondContact OE2-NZ 3.38Å; S555-K558 PolarHBondContact O-N 2.98Å; K558-I562 WeakPolarHBondContact O-CG1 3.36Å; K558-I562 PolarHBondContact O-N 2.89Å
559I80.4Confident77.3Confident2 Ų264.5 Ų64.51%0.0133%0.326CS..Hα-helixtrans-69.3-42.8175.4-63.2166.1000110.6S555 K556 Q557 H561 I562 L563 L598 F615 K619S555-I559 WeakPolarHBondContact O-CG1 3.5Å; S555-I559 PolarHBondContact O-N 2.88Å; S555-I559 VanDerWaalsContact O-N 3.13Å; K556-I559 PolarHBondContact O-N 3.44Å; Q557-I559 VanDerWaalsContact C-N 3.3Å; Q557-I559 PolarHBondContact O-N 3.09Å; I559-H561 VanDerWaalsContact C-N 3.33Å; I559-H561 PolarHBondContact O-N 3.16Å; I559-I562 PolarHBondContact O-N 2.85Å; I559-L563 HydrophobicContact CG2-CD1 3.71Å; I559-L563 HydrophobicContact CG2-CG 4.35Å; I559-L563 WeakPolarHBondContact O-CB 3.31Å; I559-L563 VanDerWaalsContact O-CG 3.26Å; I559-L563 WeakPolarHBondContact O-CG 3.42Å; I559-L563 PolarHBondContact O-N 2.92Å; I559-L598 HydrophobicContact CB-CD2 4.17Å; I559-L598 HydrophobicContact CG2-CD2 3.78Å; I559-F615 HydrophobicContact CG2-CE1 4.19Å; I559-F615 HydrophobicContact CG2-CZ 4.19Å; I559-K619 HydrophobicContact CD1-CB 4.11Å
560L84.5Confident78Confident16 Ų1662 Ų628%0.08432%0.317CS..Hα-helixtrans-63-38.2178.1-173.661.3000112.2K556 Q557 L563 N564 F595 L598K556-L560 PolarHBondContact O-N 2.88Å; Q557-L560 PolarHBondContact O-N 3.14Å; L560-L563 PolarHBondContact O-N 3.47Å; L560-N564 PolarHBondContact O-N 3.43Å; L560-N564 VanDerWaalsContact O-N 3.12Å; L560-N564 PolarHBondContact O-ND2 3.01Å; L560-F595 HydrophobicContact CD1-CB 3.8Å; L560-L598 HydrophobicContact CB-CD2 3.91Å; L560-L598 HydrophobicContact CB-CG 4.25Å; L560-L598 HydrophobicContact CD1-CD2 4.18Å; L560-L598 HydrophobicContact CD1-CG 4.47Å
561H83.8Confident78.9Confident116 Ų11658.5 Ų58.554%0.53729%0.293SS..Hα-helixtrans-60.3-53173.7-17487000111.3Q557 I559 L563 N564 T565Q557-H561 PolarHBondContact O-N 3.4Å; I559-H561 VanDerWaalsContact C-N 3.33Å; I559-H561 PolarHBondContact O-N 3.16Å; H561-L563 PolarHBondContact O-N 3.36Å; H561-N564 WeakPolarHBondContact O-CA 3.24Å; H561-N564 PolarHBondContact O-N 3.2Å; H561-T565 PolarHBondContact CD2-OG1 3.41Å; H561-T565 PolarHBondContact NE2-OG1 3.33Å; H561-T565 PolarHBondContact O-N 3.2Å; H561-T565 PolarHBondContact O-OG1 3.46Å
562I84.4Confident79.5Confident55 Ų5559.9 Ų59.928%0.28229%0.294SS..Hα-helixtrans-59.8-33.4177.2-62.4165.6000111.3K558 I559 N564 G566 E570 L574 R589K558-I562 WeakPolarHBondContact O-CG1 3.36Å; K558-I562 PolarHBondContact O-N 2.89Å; I559-I562 PolarHBondContact O-N 2.85Å; I562-N564 PolarHBondContact O-N 3.35Å; I562-G566 WeakPolarHBondContact O-CA 3.4Å; I562-G566 PolarHBondContact O-N 3.47Å; I562-E570 HydrophobicContact CG2-CB 4.46Å; I562-L574 HydrophobicContact CD1-CD2 4.38Å; I562-L574 HydrophobicContact CG2-CD1 3.95Å; I562-L574 HydrophobicContact CG2-CD2 4.2Å; I562-L574 HydrophobicContact CG2-CG 4.15Å; I562-R589 PolarHBondContact O-NH2 2.98Å; I562-R589 VanDerWaalsContact O-NH2 3.12Å
563L84.6Confident79.7Confident0 Ų061.5 Ų61.50%031%0.314CS..Hα-helixtrans-71.3-14.1175.2-72.4167.3000114I559 L560 H561 L571 L574 I577 I585 R589 F595 L598 L601I559-L563 HydrophobicContact CG2-CD1 3.71Å; I559-L563 HydrophobicContact CG2-CG 4.35Å; I559-L563 WeakPolarHBondContact O-CB 3.31Å; I559-L563 VanDerWaalsContact O-CG 3.26Å; I559-L563 WeakPolarHBondContact O-CG 3.42Å; I559-L563 PolarHBondContact O-N 2.92Å; L560-L563 PolarHBondContact O-N 3.47Å; H561-L563 PolarHBondContact O-N 3.36Å; L563-L571 HydrophobicContact CD2-CD2 3.89Å; L563-L574 HydrophobicContact CD2-CD1 3.72Å; L563-L574 HydrophobicContact CG-CD1 4Å; L563-I577 HydrophobicContact CD2-CD1 4.16Å; L563-I585 HydrophobicContact CD2-CD1 4.14Å; L563-I585 HydrophobicContact CD2-CG2 4.36Å; L563-R589 PolarHBondContact O-NE 2.97Å; L563-R589 PolarHBondContact O-NH2 3.16Å; L563-F595 HydrophobicContact CB-CD2 4.42Å; L563-F595 WeakPolarHBondContact O-CD2 3.44Å; L563-F595 WeakPolarHBondContact O-CE2 3.23Å; L563-L598 HydrophobicContact CD1-CD2 3.64Å; L563-L601 HydrophobicContact CD1-CD1 3.76Å; L563-L601 HydrophobicContact CD1-CD2 3.77Å; L563-L601 HydrophobicContact CD1-CG 4.43Å; L563-L601 HydrophobicContact CD2-CD1 4.27Å; L563-L601 HydrophobicContact CD2-CD2 3.85Å; L563-L601 HydrophobicContact CG-CD1 4.44Å; L563-L601 HydrophobicContact CG-CD2 4.48Å
564N87.1Confident79.7Confident23 Ų2357.2 Ų57.212%0.12329%0.291CS..Hα-helixtrans-107.3-42.6176.2-82.7-41.5000115.1L560 H561 I562 R589 H594 F595L560-N564 PolarHBondContact O-N 3.43Å; L560-N564 VanDerWaalsContact O-N 3.12Å; L560-N564 PolarHBondContact O-ND2 3.01Å; H561-N564 WeakPolarHBondContact O-CA 3.24Å; H561-N564 PolarHBondContact O-N 3.2Å; I562-N564 PolarHBondContact O-N 3.35Å; N564-R589 WeakPolarHBondContact O-CD 3.42Å; N564-R589 PolarHBondContact O-NE 2.91Å; N564-R589 PolarHBondContact O-NH1 2.93Å; N564-R589 VanDerWaalsContact O-NH1 3.09Å; N564-H594 VanDerWaalsContact OD1-CA 3.23Å; N564-H594 WeakPolarHBondContact OD1-CA 3.41Å; N564-H594 VanDerWaalsContact OD1-CB 3.3Å; N564-H594 WeakPolarHBondContact OD1-CB 3.43Å; N564-H594 PolarHBondContact OD1-ND1 3.01Å; N564-F595 PolarHBondContact ND2-O 2.97Å; N564-F595 WeakPolarHBondContact OD1-CD2 3.35Å; N564-F595 PolarHBondContact OD1-N 2.98Å
565T82.8Confident79.3Confident83 Ų8357.2 Ų57.251%0.50929%0.291SS..Hα-helixtrans-101.7-32-175.858.80000112.9H561H561-T565 PolarHBondContact CD2-OG1 3.41Å; H561-T565 PolarHBondContact NE2-OG1 3.33Å; H561-T565 PolarHBondContact O-N 3.2Å; H561-T565 PolarHBondContact O-OG1 3.46Å
566G81.9Confident79.2Confident4 Ų461.2 Ų61.24%0.04131%0.309CS..  trans-62.1139.8-171.900000113.4I562 E570 R589I562-G566 WeakPolarHBondContact O-CA 3.4Å; I562-G566 PolarHBondContact O-N 3.47Å; G566-E570 WeakPolarHBondContact CA-OE2 3.49Å; G566-R589 PolarHBondContact O-NH1 3.25Å; G566-R589 PolarHBondContact O-NH2 2.95Å
567C80.1Confident79Confident62 Ų6259.3 Ų59.342%0.41930%0.301SS..  trans-75.3174.2178.875.20000112.2K569 E570 L571C567-K569 PolarHBondContact O-N 2.91Å; C567-K569 VanDerWaalsContact O-N 3.1Å; C567-E570 PolarHBondContact N-OE2 3.48Å; C567-E570 PolarHBondContact O-N 3.35Å; C567-E570 PolarHBondContact SG-OE2 2.87Å; C567-L571 PolarHBondContact O-N 2.95Å
568L79.6Confident78.7Confident56 Ų5656 Ų5629%0.29330%0.297SS..Hα-helixtrans-53.5-35.2179.5-170.275.4000113.1K572 A582 K583 L586L568-K572 HydrophobicContact CG-CD 4.29Å; L568-K572 VanDerWaalsContact O-CD 3.28Å; L568-K572 WeakPolarHBondContact O-CD 3.34Å; L568-K572 WeakPolarHBondContact O-CG 3.46Å; L568-K572 PolarHBondContact O-N 3.35Å; L568-A582 HydrophobicContact CD1-CB 3.6Å; L568-A582 HydrophobicContact CG-CB 4.48Å; L568-K583 HydrophobicContact CD1-CG 3.66Å; L568-L586 HydrophobicContact CB-CD1 4Å; L568-L586 HydrophobicContact CD1-CD1 3.72Å; L568-L586 HydrophobicContact CG-CD1 4.47Å
569K81.1Confident78.5Confident177 Ų17755.2 Ų55.277%0.7730%0.297SS*.Hα-helixtrans-70.5-37.8179.6-170.3-178.8177.8-173.90112.1C567 K572 G573C567-K569 PolarHBondContact O-N 2.91Å; C567-K569 VanDerWaalsContact O-N 3.1Å; K569-K572 PolarHBondContact O-N 3.29Å; K569-G573 PolarHBondContact O-N 3.49Å
570E78.7Confident78.2Confident109 Ų10963.9 Ų63.951%0.50934%0.335SS..Hα-helixtrans-79.5-39.4-178.5-67.5158.1146.600111.5I562 G566 C567 K572 G573 L574I562-E570 HydrophobicContact CG2-CB 4.46Å; G566-E570 WeakPolarHBondContact CA-OE2 3.49Å; C567-E570 PolarHBondContact N-OE2 3.48Å; C567-E570 PolarHBondContact O-N 3.35Å; C567-E570 PolarHBondContact SG-OE2 2.87Å; E570-K572 PolarHBondContact O-N 3.37Å; E570-G573 WeakPolarHBondContact O-CA 3.48Å; E570-G573 PolarHBondContact O-N 2.85Å; E570-L574 PolarHBondContact O-N 2.98Å
571L81.2Confident77.9Confident0 Ų065.7 Ų65.70%034%0.342CS..Hα-helixtrans-55.3-36.7168.5-74.7175.2000111.9L563 C567 G573 L574 I577 A582 I585 L586L563-L571 HydrophobicContact CD2-CD2 3.89Å; C567-L571 PolarHBondContact O-N 2.95Å; L571-G573 VanDerWaalsContact C-N 3.29Å; L571-G573 PolarHBondContact O-N 3.13Å; L571-L574 HydrophobicContact CD2-CD1 4.26Å; L571-L574 WeakPolarHBondContact O-CB 3.29Å; L571-L574 PolarHBondContact O-N 2.88Å; L571-I577 WeakPolarHBondContact O-CG2 3.39Å; L571-A582 HydrophobicContact CB-CB 3.77Å; L571-A582 HydrophobicContact CD1-CB 4.41Å; L571-I585 HydrophobicContact CD1-CB 4.37Å; L571-I585 HydrophobicContact CD1-CG2 3.96Å; L571-I585 HydrophobicContact CD2-CG2 3.94Å; L571-L586 HydrophobicContact CD1-CD1 4.3Å; L571-L586 HydrophobicContact CD1-CD2 3.84Å; L571-L586 HydrophobicContact CD1-CG 3.75Å
572K78.9Confident77.9Confident90 Ų9060.2 Ų60.239%0.39132%0.317SS..THydrogen-bonded Turntrans-73.6-15.8173.4-71.3165.561.8170.10114.1L568 K569 E570 L574 I577 D579 A582L568-K572 HydrophobicContact CG-CD 4.29Å; L568-K572 VanDerWaalsContact O-CD 3.28Å; L568-K572 WeakPolarHBondContact O-CD 3.34Å; L568-K572 WeakPolarHBondContact O-CG 3.46Å; L568-K572 PolarHBondContact O-N 3.35Å; K569-K572 PolarHBondContact O-N 3.29Å; E570-K572 PolarHBondContact O-N 3.37Å; K572-L574 VanDerWaalsContact C-N 3.3Å; K572-I577 WeakPolarHBondContact CA-O 3.39Å; K572-D579 WeakPolarHBondContact CD-OD1 3.32Å; K572-D579 VanDerWaalsContact CE-CG 3.45Å; K572-D579 WeakPolarHBondContact CE-OD1 3.17Å; K572-D579 WeakPolarHBondContact CE-OD2 3.26Å; K572-D579 IonicContact NZ-OD1 2.65Å; K572-D579 PolarHBondContact NZ-OD1 2.9Å; K572-D579 IonicContact NZ-OD2 2.71Å; K572-D579 PolarHBondContact NZ-OD2 3.28Å; K572-A582 HydrophobicContact CG-CB 3.88Å
573G70.1Confident77.8Confident48 Ų4864 Ų6450%0.49533%0.331SS..THydrogen-bonded Turntrans-79.1-11.1169.800000113.7K569 E570 L571 Q575 K619K569-G573 PolarHBondContact O-N 3.49Å; E570-G573 WeakPolarHBondContact O-CA 3.48Å; E570-G573 PolarHBondContact O-N 2.85Å; L571-G573 VanDerWaalsContact C-N 3.29Å; L571-G573 PolarHBondContact O-N 3.13Å; G573-Q575 PolarHBondContact O-N 2.95Å; G573-K619 PolarHBondContact O-NZ 3.29Å
574L73.6Confident77.7Confident5 Ų568 Ų683%0.02635%0.352CS..SBendtrans-78.4107167.4-58.4177.9000108.7I562 L563 E570 L571 K572 Q576 I577 F615I562-L574 HydrophobicContact CD1-CD2 4.38Å; I562-L574 HydrophobicContact CG2-CD1 3.95Å; I562-L574 HydrophobicContact CG2-CD2 4.2Å; I562-L574 HydrophobicContact CG2-CG 4.15Å; L563-L574 HydrophobicContact CD2-CD1 3.72Å; L563-L574 HydrophobicContact CG-CD1 4Å; E570-L574 PolarHBondContact O-N 2.98Å; L571-L574 HydrophobicContact CD2-CD1 4.26Å; L571-L574 WeakPolarHBondContact O-CB 3.29Å; L571-L574 PolarHBondContact O-N 2.88Å; K572-L574 VanDerWaalsContact C-N 3.3Å; L574-Q576 PolarHBondContact O-N 2.61Å; L574-I577 HydrophobicContact CB-CB 4.24Å; L574-I577 HydrophobicContact CB-CD1 3.86Å; L574-I577 HydrophobicContact CB-CG1 4.25Å; L574-I577 HydrophobicContact CD1-CD1 3.93Å; L574-I577 WeakPolarHBondContact O-CB 3.38Å; L574-I577 PolarHBondContact O-N 2.84Å; L574-F615 HydrophobicContact CB-CE2 4.08Å; L574-F615 HydrophobicContact CB-CZ 4.32Å; L574-F615 HydrophobicContact CD1-CZ 4.44Å
575Q64.8Low77.5Confident102 Ų10267.1 Ų67.148%0.47735%0.347SS..THydrogen-bonded Turntrans-49.7139.9179.1-73.3-173.1-7.100111.7G573 I577 F615G573-Q575 PolarHBondContact O-N 2.95Å; Q575-I577 VanDerWaalsContact C-N 3.25Å; Q575-I577 PolarHBondContact O-N 3.5Å; Q575-F615 VanDerWaalsContact O-CD2 3.24Å; Q575-F615 WeakPolarHBondContact O-CD2 3.23Å; Q575-F615 WeakPolarHBondContact O-CE2 3.44Å
576Q70.1Confident77.6Confident87 Ų8765 Ų6541%0.40733%0.333SS..THydrogen-bonded Turntrans69.72.5-170.9-43.2-170.319.500116.8L574 K581 S614L574-Q576 PolarHBondContact O-N 2.61Å; Q576-K581 PolarHBondContact O-NZ 3.37Å; Q576-S614 PolarHBondContact NE2-OG 2.98Å
577I73Confident77.6Confident5 Ų565.8 Ų65.83%0.02634%0.341CS..  trans-105.197167-58.7-178.2000108.8L563 L571 K572 L574 Q575 K581 A582 I585 F615L563-I577 HydrophobicContact CD2-CD1 4.16Å; L571-I577 WeakPolarHBondContact O-CG2 3.39Å; K572-I577 WeakPolarHBondContact CA-O 3.39Å; L574-I577 HydrophobicContact CB-CB 4.24Å; L574-I577 HydrophobicContact CB-CD1 3.86Å; L574-I577 HydrophobicContact CB-CG1 4.25Å; L574-I577 HydrophobicContact CD1-CD1 3.93Å; L574-I577 WeakPolarHBondContact O-CB 3.38Å; L574-I577 PolarHBondContact O-N 2.84Å; Q575-I577 VanDerWaalsContact C-N 3.25Å; Q575-I577 PolarHBondContact O-N 3.5Å; I577-K581 HydrophobicContact CG2-CB 3.87Å; I577-A582 HydrophobicContact CG2-CB 4.14Å; I577-I585 HydrophobicContact CD1-CD1 3.83Å; I577-I585 HydrophobicContact CG2-CD1 3.8Å; I577-F615 HydrophobicContact CD1-CD2 4.42Å; I577-F615 HydrophobicContact CD1-CE2 3.6Å; I577-F615 HydrophobicContact CD1-CZ 3.7Å; I577-F615 HydrophobicContact CG1-CD2 4.3Å; I577-F615 HydrophobicContact CG1-CE2 3.82Å; I577-F615 HydrophobicContact CG1-CZ 4.41Å
578G71.8Confident77.8Confident42 Ų4264.5 Ų64.543%0.43333%0.328SS..  trans-90.4173.2172.900000112.7K580 K581 A582G578-K580 VanDerWaalsContact C-N 3.33Å; G578-K580 PolarHBondContact O-N 3Å; G578-K580 VanDerWaalsContact O-N 3.08Å; G578-K581 WeakPolarHBondContact O-CA 3.48Å; G578-K581 WeakPolarHBondContact O-CB 3.4Å; G578-K581 PolarHBondContact O-N 2.9Å; G578-A582 PolarHBondContact O-N 2.99Å
579D75.1Confident78Confident77 Ų7763.5 Ų63.541%0.41232%0.32SS..Hα-helixtrans-39.4-52.8-175.2-85.9-79.6000115.3K572 K581 A582 K583K572-D579 WeakPolarHBondContact CD-OD1 3.32Å; K572-D579 VanDerWaalsContact CE-CG 3.45Å; K572-D579 WeakPolarHBondContact CE-OD1 3.17Å; K572-D579 WeakPolarHBondContact CE-OD2 3.26Å; K572-D579 IonicContact NZ-OD1 2.65Å; K572-D579 PolarHBondContact NZ-OD1 2.9Å; K572-D579 IonicContact NZ-OD2 2.71Å; K572-D579 PolarHBondContact NZ-OD2 3.28Å; D579-K581 VanDerWaalsContact C-N 3.31Å; D579-K581 PolarHBondContact O-N 3.45Å; D579-A582 PolarHBondContact O-N 3.2Å; D579-K583 WeakPolarHBondContact O-CG 3.37Å; D579-K583 PolarHBondContact O-N 3.39Å
580K76.1Confident77.8Confident184 Ų18462.7 Ų62.780%0.832%0.319SS*.Hα-helixtrans-61.8-37.8-177.8-64.8-167.9176.6-169.10112.5G578 L584G578-K580 VanDerWaalsContact C-N 3.33Å; G578-K580 PolarHBondContact O-N 3Å; G578-K580 VanDerWaalsContact O-N 3.08Å; K580-L584 VanDerWaalsContact O-CG 3.31Å; K580-L584 WeakPolarHBondContact O-CG 3.49Å; K580-L584 PolarHBondContact O-N 2.98Å; K580-L584 VanDerWaalsContact O-N 3.11Å
581K78.2Confident77.6Confident55 Ų5564.4 Ų64.424%0.23933%0.33CS..Hα-helixtrans-73.2-41175.2-72.8-174.7175.7-175.70112Q576 I577 G578 D579 K583 L584 I585 M607Q576-K581 PolarHBondContact O-NZ 3.37Å; I577-K581 HydrophobicContact CG2-CB 3.87Å; G578-K581 WeakPolarHBondContact O-CA 3.48Å; G578-K581 WeakPolarHBondContact O-CB 3.4Å; G578-K581 PolarHBondContact O-N 2.9Å; D579-K581 VanDerWaalsContact C-N 3.31Å; D579-K581 PolarHBondContact O-N 3.45Å; K581-K583 VanDerWaalsContact C-N 3.27Å; K581-K583 PolarHBondContact O-N 3.04Å; K581-L584 PolarHBondContact O-N 3.43Å; K581-I585 WeakPolarHBondContact O-CB 3.28Å; K581-I585 WeakPolarHBondContact O-CD1 3.46Å; K581-I585 VanDerWaalsContact O-CG1 3.29Å; K581-I585 WeakPolarHBondContact O-CG1 3.39Å; K581-I585 PolarHBondContact O-N 3Å; K581-M607 HydrophobicContact CD-SD 4.23Å; K581-M607 PolarHBondContact NZ-SD 3.43Å; K581-M607 VanDerWaalsContact NZ-SD 3.35Å
582A82.5Confident77.3Confident0 Ų070.5 Ų70.50%036%0.358CS..Hα-helixtrans-60.6-38.9177.200000111.4L568 L571 K572 I577 G578 D579 I585 L586L568-A582 HydrophobicContact CD1-CB 3.6Å; L568-A582 HydrophobicContact CG-CB 4.48Å; L571-A582 HydrophobicContact CB-CB 3.77Å; L571-A582 HydrophobicContact CD1-CB 4.41Å; K572-A582 HydrophobicContact CG-CB 3.88Å; I577-A582 HydrophobicContact CG2-CB 4.14Å; G578-A582 PolarHBondContact O-N 2.99Å; D579-A582 PolarHBondContact O-N 3.2Å; A582-I585 PolarHBondContact O-N 3.22Å; A582-L586 WeakPolarHBondContact O-CG 3.45Å; A582-L586 PolarHBondContact O-N 3.27Å; A582-L586 VanDerWaalsContact O-N 3.12Å
583K82.6Confident77.3Confident135 Ų13567.8 Ų67.859%0.58736%0.356SS*.Hα-helixtrans-67-41.4172-68.6-170.4177.8-1640113.3L568 D579 K581 I585 L586 G587L568-K583 HydrophobicContact CD1-CG 3.66Å; D579-K583 WeakPolarHBondContact O-CG 3.37Å; D579-K583 PolarHBondContact O-N 3.39Å; K581-K583 VanDerWaalsContact C-N 3.27Å; K581-K583 PolarHBondContact O-N 3.04Å; K583-I585 VanDerWaalsContact C-N 3.34Å; K583-I585 PolarHBondContact O-N 2.74Å; K583-L586 PolarHBondContact O-N 2.97Å; K583-G587 PolarHBondContact O-N 3.4Å
584L83.4Confident77.8Confident84 Ų8471.7 Ų71.744%0.4436%0.361SS..Hα-helixtrans-64.2-36.6174.8-73.7167.2000112.5K580 K581 W588 I604K580-L584 VanDerWaalsContact O-CG 3.31Å; K580-L584 WeakPolarHBondContact O-CG 3.49Å; K580-L584 PolarHBondContact O-N 2.98Å; K580-L584 VanDerWaalsContact O-N 3.11Å; K581-L584 PolarHBondContact O-N 3.43Å; L584-W588 VanDerWaalsContact O-CB 3.29Å; L584-W588 WeakPolarHBondContact O-CB 3.31Å; L584-W588 PolarHBondContact O-N 2.71Å; L584-I604 HydrophobicContact CB-CG2 3.99Å
585I82.9Confident78.2Confident4 Ų471.6 Ų71.62%0.02136%0.36CS..Hα-helixtrans-64.1-44174.5-71.6160.8000110.8L563 L571 I577 K581 A582 K583 W588 R589 F595 I604L563-I585 HydrophobicContact CD2-CD1 4.14Å; L563-I585 HydrophobicContact CD2-CG2 4.36Å; L571-I585 HydrophobicContact CD1-CB 4.37Å; L571-I585 HydrophobicContact CD1-CG2 3.96Å; L571-I585 HydrophobicContact CD2-CG2 3.94Å; I577-I585 HydrophobicContact CD1-CD1 3.83Å; I577-I585 HydrophobicContact CG2-CD1 3.8Å; K581-I585 WeakPolarHBondContact O-CB 3.28Å; K581-I585 WeakPolarHBondContact O-CD1 3.46Å; K581-I585 VanDerWaalsContact O-CG1 3.29Å; K581-I585 WeakPolarHBondContact O-CG1 3.39Å; K581-I585 PolarHBondContact O-N 3Å; A582-I585 PolarHBondContact O-N 3.22Å; K583-I585 VanDerWaalsContact C-N 3.34Å; K583-I585 PolarHBondContact O-N 2.74Å; I585-W588 PolarHBondContact O-N 2.77Å; I585-R589 WeakPolarHBondContact O-CG 3.32Å; I585-R589 PolarHBondContact O-N 3.2Å; I585-F595 HydrophobicContact CG2-CE2 3.82Å; I585-F595 HydrophobicContact CG2-CZ 4.07Å; I585-I604 HydrophobicContact CB-CD1 4.44Å; I585-I604 HydrophobicContact CG1-CD1 3.56Å
586L83.6Confident78.9Confident39 Ų3971.8 Ų71.820%0.20437%0.369CS..Hα-helixtrans-64.6-48.9176.2-68.8170.8000112.1L568 L571 A582 K583 W588 R589 E590L568-L586 HydrophobicContact CB-CD1 4Å; L568-L586 HydrophobicContact CD1-CD1 3.72Å; L568-L586 HydrophobicContact CG-CD1 4.47Å; L571-L586 HydrophobicContact CD1-CD1 4.3Å; L571-L586 HydrophobicContact CD1-CD2 3.84Å; L571-L586 HydrophobicContact CD1-CG 3.75Å; A582-L586 WeakPolarHBondContact O-CG 3.45Å; A582-L586 PolarHBondContact O-N 3.27Å; A582-L586 VanDerWaalsContact O-N 3.12Å; K583-L586 PolarHBondContact O-N 2.97Å; L586-W588 PolarHBondContact O-N 2.98Å; L586-R589 VanDerWaalsContact CD2-NH1 3.32Å; L586-R589 WeakPolarHBondContact O-CB 3.49Å; L586-R589 PolarHBondContact O-N 3.44Å; L586-E590 WeakPolarHBondContact O-CG 3.22Å; L586-E590 PolarHBondContact O-N 3.23Å
587G81.6Confident79.3Confident21 Ų2174 Ų7422%0.21638%0.377CS..Hα-helixtrans-61.8-30.2176.100000113.2K583 E590 I591K583-G587 PolarHBondContact O-N 3.4Å; G587-E590 PolarHBondContact O-N 2.86Å; G587-I591 WeakPolarHBondContact O-CB 3.42Å; G587-I591 WeakPolarHBondContact O-CD1 3.19Å; G587-I591 VanDerWaalsContact O-CG1 3.24Å; G587-I591 WeakPolarHBondContact O-CG1 3.44Å; G587-I591 PolarHBondContact O-N 3.18Å
588W84.1Confident79.5Confident35 Ų3574 Ų7413%0.13338%0.377CS..Hα-helixtrans-69.1-40.4172.1-164.694.5000111.9L584 I585 L586 E590 I591 Q592 F595 D600 I604L584-W588 VanDerWaalsContact O-CB 3.29Å; L584-W588 WeakPolarHBondContact O-CB 3.31Å; L584-W588 PolarHBondContact O-N 2.71Å; I585-W588 PolarHBondContact O-N 2.77Å; L586-W588 PolarHBondContact O-N 2.98Å; W588-E590 VanDerWaalsContact C-N 3.31Å; W588-E590 PolarHBondContact O-N 3.43Å; W588-I591 PolarHBondContact O-N 2.92Å; W588-Q592 HydrophobicContact CD2-CB 4.1Å; W588-Q592 HydrophobicContact CE3-CB 4.23Å; W588-Q592 HydrophobicContact CH2-CB 4.31Å; W588-Q592 HydrophobicContact CZ2-CB 4.13Å; W588-Q592 VanDerWaalsContact CZ2-OE1 3.26Å; W588-Q592 HydrophobicContact CZ3-CB 4.33Å; W588-Q592 PolarHBondContact O-N 3.47Å; W588-F595 HydrophobicContact CB-CZ 4.32Å; W588-F595 HydrophobicContact CD2-CD1 4.46Å; W588-F595 AromaticContact CD2-CE1 3.61Å; W588-F595 HydrophobicContact CD2-CE1 3.61Å; W588-F595 AromaticContact CD2-CZ 3.8Å; W588-F595 HydrophobicContact CD2-CZ 3.8Å; W588-F595 AromaticContact CE3-CD1 3.68Å; W588-F595 HydrophobicContact CE3-CD1 3.68Å; W588-F595 HydrophobicContact CE3-CD2 4.37Å; W588-F595 AromaticContact CE3-CE1 3.12Å; W588-F595 HydrophobicContact CE3-CE1 3.12Å; W588-F595 AromaticContact CE3-CE2 3.89Å; W588-F595 HydrophobicContact CE3-CE2 3.89Å; W588-F595 HydrophobicContact CE3-CG 4.27Å; W588-F595 AromaticContact CE3-CZ 3.24Å; W588-F595 HydrophobicContact CE3-CZ 3.24Å; W588-F595 HydrophobicContact CG-CE1 4.4Å; W588-F595 HydrophobicContact CG-CZ 4.3Å; W588-F595 AromaticContact CH2-CD1 3.74Å; W588-F595 HydrophobicContact CH2-CD1 3.74Å; W588-F595 AromaticContact CH2-CE1 3.83Å; W588-F595 HydrophobicContact CH2-CE1 3.83Å; W588-F595 HydrophobicContact CZ2-CE1 4.26Å; W588-F595 AromaticContact CZ3-CD1 3.27Å; W588-F595 HydrophobicContact CZ3-CD1 3.27Å; W588-F595 HydrophobicContact CZ3-CD2 4.29Å; W588-F595 AromaticContact CZ3-CE1 3.25Å; W588-F595 HydrophobicContact CZ3-CE1 3.25Å; W588-F595 HydrophobicContact CZ3-CE2 4.26Å; W588-F595 AromaticContact CZ3-CG 3.82Å; W588-F595 HydrophobicContact CZ3-CG 3.82Å; W588-F595 AromaticContact CZ3-CZ 3.78Å; W588-F595 HydrophobicContact CZ3-CZ 3.78Å; W588-D600 HydrophobicContact CH2-CB 4.35Å; W588-I604 HydrophobicContact CB-CG1 4.49Å; W588-I604 HydrophobicContact CD2-CG1 4.5Å; W588-I604 HydrophobicContact CG-CG1 4.1Å
589R84.1Confident79.9Confident34 Ų3476.2 Ų76.213%0.12838%0.376CS..Hα-helixtrans-58.1-44171.7-64.4179.4-166.6164.34.2112I562 L563 N564 G566 I585 L586 I591 G593 F595I562-R589 PolarHBondContact O-NH2 2.98Å; I562-R589 VanDerWaalsContact O-NH2 3.12Å; L563-R589 PolarHBondContact O-NE 2.97Å; L563-R589 PolarHBondContact O-NH2 3.16Å; N564-R589 WeakPolarHBondContact O-CD 3.42Å; N564-R589 PolarHBondContact O-NE 2.91Å; N564-R589 PolarHBondContact O-NH1 2.93Å; N564-R589 VanDerWaalsContact O-NH1 3.09Å; G566-R589 PolarHBondContact O-NH1 3.25Å; G566-R589 PolarHBondContact O-NH2 2.95Å; I585-R589 WeakPolarHBondContact O-CG 3.32Å; I585-R589 PolarHBondContact O-N 3.2Å; L586-R589 VanDerWaalsContact CD2-NH1 3.32Å; L586-R589 WeakPolarHBondContact O-CB 3.49Å; L586-R589 PolarHBondContact O-N 3.44Å; R589-I591 VanDerWaalsContact C-N 3.29Å; R589-I591 PolarHBondContact O-N 2.92Å; R589-G593 WeakPolarHBondContact CA-O 3.22Å; R589-G593 VanDerWaalsContact O-CA 3.22Å; R589-G593 WeakPolarHBondContact O-CA 3.41Å; R589-G593 PolarHBondContact O-N 2.94Å; R589-F595 HydrophobicContact CG-CD2 4.43Å; R589-F595 HydrophobicContact CG-CE2 3.88Å
590E77.6Confident80.1Confident161 Ų16174 Ų7475%0.75236%0.364SS*.Hα-helixtrans-67.4-27.5-177.6-70.3164.1-168.500112.8L586 G587 W588L586-E590 WeakPolarHBondContact O-CG 3.22Å; L586-E590 PolarHBondContact O-N 3.23Å; G587-E590 PolarHBondContact O-N 2.86Å; W588-E590 VanDerWaalsContact C-N 3.31Å; W588-E590 PolarHBondContact O-N 3.43Å
591I75.4Confident80.1Confident144 Ų14465.3 Ų65.374%0.73833%0.326SS*.Hα-helixtrans-102.2-32.8-175.4-63.4168.5000112.9G587 W588 R589G587-I591 WeakPolarHBondContact O-CB 3.42Å; G587-I591 WeakPolarHBondContact O-CD1 3.19Å; G587-I591 VanDerWaalsContact O-CG1 3.24Å; G587-I591 WeakPolarHBondContact O-CG1 3.44Å; G587-I591 PolarHBondContact O-N 3.18Å; W588-I591 PolarHBondContact O-N 2.92Å; R589-I591 VanDerWaalsContact C-N 3.29Å; R589-I591 PolarHBondContact O-N 2.92Å
592Q74Confident80.1Confident129 Ų12965.1 Ų65.160%0.60333%0.327SS*.Hα-helixtrans-123.1-1.8-173.4-57.1-165.61.900114.1W588W588-Q592 HydrophobicContact CD2-CB 4.1Å; W588-Q592 HydrophobicContact CE3-CB 4.23Å; W588-Q592 HydrophobicContact CH2-CB 4.31Å; W588-Q592 HydrophobicContact CZ2-CB 4.13Å; W588-Q592 VanDerWaalsContact CZ2-OE1 3.26Å; W588-Q592 HydrophobicContact CZ3-CB 4.33Å; W588-Q592 PolarHBondContact O-N 3.47Å
593G78.3Confident79.7Confident33 Ų3370.7 Ų70.734%0.3436%0.357SS..  trans85.3-166.9178.500000114.1R589R589-G593 WeakPolarHBondContact CA-O 3.22Å; R589-G593 VanDerWaalsContact O-CA 3.22Å; R589-G593 WeakPolarHBondContact O-CA 3.41Å; R589-G593 PolarHBondContact O-N 2.94Å
594H81.3Confident79.3Confident129 Ų12964.7 Ų64.760%0.59733%0.332SS*.SBendtrans-71.3137.9-178.1-69.9-58.9000112.4N564 T596N564-H594 VanDerWaalsContact OD1-CA 3.23Å; N564-H594 WeakPolarHBondContact OD1-CA 3.41Å; N564-H594 VanDerWaalsContact OD1-CB 3.3Å; N564-H594 WeakPolarHBondContact OD1-CB 3.43Å; N564-H594 PolarHBondContact OD1-ND1 3.01Å; H594-T596 PolarHBondContact O-N 3.15Å
595F82.4Confident78.4Confident4 Ų468.9 Ų68.92%0.01835%0.349CS..  trans-59.5126.2170.8-60.2-83000109.6L560 L563 N564 I585 W588 R589 D600 L601 I604L560-F595 HydrophobicContact CD1-CB 3.8Å; L563-F595 HydrophobicContact CB-CD2 4.42Å; L563-F595 WeakPolarHBondContact O-CD2 3.44Å; L563-F595 WeakPolarHBondContact O-CE2 3.23Å; N564-F595 PolarHBondContact ND2-O 2.97Å; N564-F595 WeakPolarHBondContact OD1-CD2 3.35Å; N564-F595 PolarHBondContact OD1-N 2.98Å; I585-F595 HydrophobicContact CG2-CE2 3.82Å; I585-F595 HydrophobicContact CG2-CZ 4.07Å; W588-F595 HydrophobicContact CB-CZ 4.32Å; W588-F595 HydrophobicContact CD2-CD1 4.46Å; W588-F595 AromaticContact CD2-CE1 3.61Å; W588-F595 HydrophobicContact CD2-CE1 3.61Å; W588-F595 AromaticContact CD2-CZ 3.8Å; W588-F595 HydrophobicContact CD2-CZ 3.8Å; W588-F595 AromaticContact CE3-CD1 3.68Å; W588-F595 HydrophobicContact CE3-CD1 3.68Å; W588-F595 HydrophobicContact CE3-CD2 4.37Å; W588-F595 AromaticContact CE3-CE1 3.12Å; W588-F595 HydrophobicContact CE3-CE1 3.12Å; W588-F595 AromaticContact CE3-CE2 3.89Å; W588-F595 HydrophobicContact CE3-CE2 3.89Å; W588-F595 HydrophobicContact CE3-CG 4.27Å; W588-F595 AromaticContact CE3-CZ 3.24Å; W588-F595 HydrophobicContact CE3-CZ 3.24Å; W588-F595 HydrophobicContact CG-CE1 4.4Å; W588-F595 HydrophobicContact CG-CZ 4.3Å; W588-F595 AromaticContact CH2-CD1 3.74Å; W588-F595 HydrophobicContact CH2-CD1 3.74Å; W588-F595 AromaticContact CH2-CE1 3.83Å; W588-F595 HydrophobicContact CH2-CE1 3.83Å; W588-F595 HydrophobicContact CZ2-CE1 4.26Å; W588-F595 AromaticContact CZ3-CD1 3.27Å; W588-F595 HydrophobicContact CZ3-CD1 3.27Å; W588-F595 HydrophobicContact CZ3-CD2 4.29Å; W588-F595 AromaticContact CZ3-CE1 3.25Å; W588-F595 HydrophobicContact CZ3-CE1 3.25Å; W588-F595 HydrophobicContact CZ3-CE2 4.26Å; W588-F595 AromaticContact CZ3-CG 3.82Å; W588-F595 HydrophobicContact CZ3-CG 3.82Å; W588-F595 AromaticContact CZ3-CZ 3.78Å; W588-F595 HydrophobicContact CZ3-CZ 3.78Å; R589-F595 HydrophobicContact CG-CD2 4.43Å; R589-F595 HydrophobicContact CG-CE2 3.88Å; F595-D600 HydrophobicContact CD1-CB 3.86Å; F595-L601 HydrophobicContact CD1-CD1 3.6Å; F595-L601 HydrophobicContact CD2-CD1 4.48Å; F595-L601 HydrophobicContact CE1-CD1 3.63Å; F595-L601 HydrophobicContact CE1-CG 4.41Å; F595-L601 HydrophobicContact CG-CD1 4.06Å; F595-L601 HydrophobicContact CZ-CD1 4.12Å; F595-I604 HydrophobicContact CE1-CD1 3.71Å; F595-I604 HydrophobicContact CE1-CG1 4.17Å; F595-I604 HydrophobicContact CZ-CD1 3.66Å; F595-I604 HydrophobicContact CZ-CG1 4.44Å
596T78.1Confident77.6Confident106 Ų10670.6 Ų70.665%0.6537%0.368SS*.SBendtrans-90-27.5-179.9670000112H594 D600H594-T596 PolarHBondContact O-N 3.15Å; T596-D600 PolarHBondContact N-OD2 3.47Å; T596-D600 PolarHBondContact OG1-OD2 3.38Å
597K79.7Confident77.1Confident132 Ų13269.2 Ų69.257%0.57436%0.36SS*.SBendtrans-139.7163-179.9-62.3178.6-175174.70109.2E599 D600K597-E599 VanDerWaalsContact C-N 3.31Å; K597-D600 PolarHBondContact N-OD2 3.29Å; K597-D600 WeakPolarHBondContact O-CB 3.42Å
598L77.3Confident76.6Confident7 Ų772 Ų724%0.03737%0.373CS..SBendtrans-71.7-32.7178.8-74.6171.5000111.8K556 I559 L560 L563 D600 L601 F612 M616K556-L598 HydrophobicContact CB-CD1 3.61Å; K556-L598 HydrophobicContact CD-CD1 4.49Å; K556-L598 HydrophobicContact CG-CD1 3.75Å; I559-L598 HydrophobicContact CB-CD2 4.17Å; I559-L598 HydrophobicContact CG2-CD2 3.78Å; L560-L598 HydrophobicContact CB-CD2 3.91Å; L560-L598 HydrophobicContact CB-CG 4.25Å; L560-L598 HydrophobicContact CD1-CD2 4.18Å; L560-L598 HydrophobicContact CD1-CG 4.47Å; L563-L598 HydrophobicContact CD1-CD2 3.64Å; L598-D600 PolarHBondContact O-N 3.38Å; L598-L601 WeakPolarHBondContact O-CB 3.43Å; L598-L601 PolarHBondContact O-N 2.91Å; L598-L601 VanDerWaalsContact O-N 3.1Å; L598-F612 HydrophobicContact CB-CE2 4.12Å; L598-F612 HydrophobicContact CB-CZ 3.93Å; L598-F612 WeakPolarHBondContact O-CE2 3.49Å; L598-M616 HydrophobicContact CD1-CE 3.59Å; L598-M616 HydrophobicContact CD1-SD 4.01Å
599E79.4Confident75.5Confident88 Ų8876.9 Ų76.941%0.41140%0.398SS..G310 helixtrans-63.1-23.5-178.7-65.361.9-137.100111.5K597 L601 I602 F612K597-E599 VanDerWaalsContact C-N 3.31Å; E599-L601 PolarHBondContact O-N 3.31Å; E599-L601 VanDerWaalsContact O-N 3.14Å; E599-I602 VanDerWaalsContact O-CB 3.3Å; E599-I602 WeakPolarHBondContact O-CB 3.37Å; E599-I602 VanDerWaalsContact O-CG1 3.26Å; E599-I602 WeakPolarHBondContact O-CG1 3.45Å; E599-I602 PolarHBondContact O-N 3.47Å; E599-F612 HydrophobicContact CG-CE1 4.06Å; E599-F612 HydrophobicContact CG-CZ 4.12Å
600D79.5Confident74.8Confident30 Ų3084.3 Ų84.316%0.1643%0.431CS..G310 helixtrans-57-26.5173.8-60.6-13.9000111.8W588 F595 T596 K597 L598 I602 N603W588-D600 HydrophobicContact CH2-CB 4.35Å; F595-D600 HydrophobicContact CD1-CB 3.86Å; T596-D600 PolarHBondContact N-OD2 3.47Å; T596-D600 PolarHBondContact OG1-OD2 3.38Å; K597-D600 PolarHBondContact N-OD2 3.29Å; K597-D600 WeakPolarHBondContact O-CB 3.42Å; L598-D600 PolarHBondContact O-N 3.38Å; D600-I602 PolarHBondContact O-N 2.9Å; D600-I602 VanDerWaalsContact O-N 3.15Å; D600-N603 WeakPolarHBondContact O-CB 3.38Å; D600-N603 PolarHBondContact O-N 3.35Å; D600-N603 VanDerWaalsContact O-N 3.09Å
601L76.1Confident74.4Confident1 Ų183 Ų831%0.00542%0.419CS..G310 helixtrans-60.9-21.2174-9967.7000113.7L563 F595 L598 E599 N603 I604 M607 F612 F615L563-L601 HydrophobicContact CD1-CD1 3.76Å; L563-L601 HydrophobicContact CD1-CD2 3.77Å; L563-L601 HydrophobicContact CD1-CG 4.43Å; L563-L601 HydrophobicContact CD2-CD1 4.27Å; L563-L601 HydrophobicContact CD2-CD2 3.85Å; L563-L601 HydrophobicContact CG-CD1 4.44Å; L563-L601 HydrophobicContact CG-CD2 4.48Å; F595-L601 HydrophobicContact CD1-CD1 3.6Å; F595-L601 HydrophobicContact CD2-CD1 4.48Å; F595-L601 HydrophobicContact CE1-CD1 3.63Å; F595-L601 HydrophobicContact CE1-CG 4.41Å; F595-L601 HydrophobicContact CG-CD1 4.06Å; F595-L601 HydrophobicContact CZ-CD1 4.12Å; L598-L601 WeakPolarHBondContact O-CB 3.43Å; L598-L601 PolarHBondContact O-N 2.91Å; L598-L601 VanDerWaalsContact O-N 3.1Å; E599-L601 PolarHBondContact O-N 3.31Å; E599-L601 VanDerWaalsContact O-N 3.14Å; L601-N603 PolarHBondContact O-N 2.88Å; L601-I604 HydrophobicContact CB-CD1 4.44Å; L601-I604 HydrophobicContact CD1-CD1 4.46Å; L601-I604 HydrophobicContact CG-CD1 3.9Å; L601-I604 WeakPolarHBondContact O-CB 3.49Å; L601-I604 PolarHBondContact O-N 3.27Å; L601-M607 HydrophobicContact CB-CE 4.39Å; L601-M607 HydrophobicContact CD2-CE 4.35Å; L601-M607 WeakPolarHBondContact O-CB 3.3Å; L601-F612 HydrophobicContact CB-CD2 4.37Å; L601-F615 HydrophobicContact CD2-CE1 4.5Å
602I77.6Confident74.4Confident51 Ų5177 Ų7726%0.26239%0.387SS..G310 helixtrans-67.1-26178.3-59172.4000110.9E599 D600 I604 M607 Q609 F612E599-I602 VanDerWaalsContact O-CB 3.3Å; E599-I602 WeakPolarHBondContact O-CB 3.37Å; E599-I602 VanDerWaalsContact O-CG1 3.26Å; E599-I602 WeakPolarHBondContact O-CG1 3.45Å; E599-I602 PolarHBondContact O-N 3.47Å; D600-I602 PolarHBondContact O-N 2.9Å; D600-I602 VanDerWaalsContact O-N 3.15Å; I602-I604 VanDerWaalsContact C-N 3.26Å; I602-I604 PolarHBondContact O-N 3.46Å; I602-M607 WeakPolarHBondContact CA-O 3.25Å; I602-Q609 HydrophobicContact CD1-CG 4.25Å; I602-F612 HydrophobicContact CD1-CB 4.18Å; I602-F612 HydrophobicContact CD1-CD1 3.73Å; I602-F612 HydrophobicContact CD1-CE1 4.3Å; I602-F612 HydrophobicContact CD1-CG 3.96Å; I602-F612 HydrophobicContact CG1-CB 3.73Å; I602-F612 HydrophobicContact CG1-CD1 4.03Å; I602-F612 HydrophobicContact CG1-CD2 4.18Å; I602-F612 HydrophobicContact CG1-CG 3.71Å
603N74.3Confident74.3Confident117 Ų11773.5 Ų73.563%0.62638%0.377SS*.G310 helixtrans-78.5-8.5178.9-55.9-38.8000112.9D600 L601D600-N603 WeakPolarHBondContact O-CB 3.38Å; D600-N603 PolarHBondContact O-N 3.35Å; D600-N603 VanDerWaalsContact O-N 3.09Å; L601-N603 PolarHBondContact O-N 2.88Å
604I75.6Confident74.1Confident10 Ų1074.3 Ų74.35%0.05138%0.378CS..SBendtrans-78.3131.2173.5-50.7177.7000109.4L584 I585 W588 F595 L601 I602 G606 M607L584-I604 HydrophobicContact CB-CG2 3.99Å; I585-I604 HydrophobicContact CB-CD1 4.44Å; I585-I604 HydrophobicContact CG1-CD1 3.56Å; W588-I604 HydrophobicContact CB-CG1 4.49Å; W588-I604 HydrophobicContact CD2-CG1 4.5Å; W588-I604 HydrophobicContact CG-CG1 4.1Å; F595-I604 HydrophobicContact CE1-CD1 3.71Å; F595-I604 HydrophobicContact CE1-CG1 4.17Å; F595-I604 HydrophobicContact CZ-CD1 3.66Å; F595-I604 HydrophobicContact CZ-CG1 4.44Å; L601-I604 HydrophobicContact CB-CD1 4.44Å; L601-I604 HydrophobicContact CD1-CD1 4.46Å; L601-I604 HydrophobicContact CG-CD1 3.9Å; L601-I604 WeakPolarHBondContact O-CB 3.49Å; L601-I604 PolarHBondContact O-N 3.27Å; I602-I604 VanDerWaalsContact C-N 3.26Å; I602-I604 PolarHBondContact O-N 3.46Å; I604-G606 PolarHBondContact O-N 2.89Å; I604-G606 VanDerWaalsContact O-N 3.11Å; I604-M607 WeakPolarHBondContact O-CB 3.34Å; I604-M607 PolarHBondContact O-N 2.94Å
605E64.1Low73.9Confident172 Ų17268.3 Ų68.380%0.80435%0.35SS*.THydrogen-bonded Turntrans-55.1118.9-174.5-162.5176-164.100112.6
606G65.2Low73.4Confident40 Ų4068.5 Ų68.541%0.41235%0.351SS..THydrogen-bonded Turntrans95.2-5.6-178.100000116.5I604 T608 R611I604-G606 PolarHBondContact O-N 2.89Å; I604-G606 VanDerWaalsContact O-N 3.11Å; G606-T608 PolarHBondContact O-N 3.33Å; G606-R611 PolarHBondContact O-NH1 3.49Å
607M73.8Confident72.9Confident9 Ų967.3 Ų67.34%0.04434%0.337CS..  trans-89.463.4174.7-81.7-67.2-66.500112.8K581 L601 I602 I604 F612K581-M607 HydrophobicContact CD-SD 4.23Å; K581-M607 PolarHBondContact NZ-SD 3.43Å; K581-M607 VanDerWaalsContact NZ-SD 3.35Å; L601-M607 HydrophobicContact CB-CE 4.39Å; L601-M607 HydrophobicContact CD2-CE 4.35Å; L601-M607 WeakPolarHBondContact O-CB 3.3Å; I602-M607 WeakPolarHBondContact CA-O 3.25Å; I604-M607 WeakPolarHBondContact O-CB 3.34Å; I604-M607 PolarHBondContact O-N 2.94Å; M607-F612 HydrophobicContact CE-CB 4.41Å
608T71.4Confident72.3Confident79 Ų7963.2 Ų63.249%0.48532%0.323SS..  trans-58147.9177.459.50000112.8G606 K610 R611 F612G606-T608 PolarHBondContact O-N 3.33Å; T608-K610 VanDerWaalsContact C-N 3.28Å; T608-K610 PolarHBondContact O-N 3.5Å; T608-K610 VanDerWaalsContact O-N 3.11Å; T608-R611 WeakPolarHBondContact O-CA 3.38Å; T608-R611 VanDerWaalsContact O-CB 3.29Å; T608-R611 WeakPolarHBondContact O-CB 3.47Å; T608-R611 PolarHBondContact O-N 3.38Å; T608-F612 PolarHBondContact O-N 3Å
609Q61.3Low71.6Confident139 Ų13964.7 Ų64.765%0.6533%0.329SS*.Hα-helixtrans-48.5-43.2-176.5-167.917621.400113.7I602 R611 F612 S613I602-Q609 HydrophobicContact CD1-CG 4.25Å; Q609-R611 VanDerWaalsContact C-N 3.27Å; Q609-R611 PolarHBondContact O-N 3.09Å; Q609-F612 WeakPolarHBondContact O-CB 3.48Å; Q609-F612 PolarHBondContact O-N 3.5Å; Q609-F612 VanDerWaalsContact O-N 3.11Å; Q609-S613 PolarHBondContact O-N 3.45Å; Q609-S613 PolarHBondContact O-OG 3.49Å; Q609-S613 VanDerWaalsContact O-OG 3.13Å
610K68.5Low70.7Confident189 Ų18960.5 Ų60.582%0.82231%0.309SS*.Hα-helixtrans-61.6-29.5175.4-67.4-174.1177.8-178.20113.8T608 S614T608-K610 VanDerWaalsContact C-N 3.28Å; T608-K610 PolarHBondContact O-N 3.5Å; T608-K610 VanDerWaalsContact O-N 3.11Å; K610-S614 PolarHBondContact O-N 3.21Å
611R68.3Low69.4Low134 Ų13464.1 Ų64.151%0.50633%0.325SS..Hα-helixtrans-78.4-37.8173-66.8174.2171.7170.5-0.9111.6G606 T608 Q609 S614 F615G606-R611 PolarHBondContact O-NH1 3.49Å; T608-R611 WeakPolarHBondContact O-CA 3.38Å; T608-R611 VanDerWaalsContact O-CB 3.29Å; T608-R611 WeakPolarHBondContact O-CB 3.47Å; T608-R611 PolarHBondContact O-N 3.38Å; Q609-R611 VanDerWaalsContact C-N 3.27Å; Q609-R611 PolarHBondContact O-N 3.09Å; R611-S614 PolarHBondContact O-N 3Å; R611-F615 WeakPolarHBondContact O-CB 3.37Å; R611-F615 PolarHBondContact O-N 3.49Å
612F76.6Confident68.5Low17 Ų1767.9 Ų67.98%0.07535%0.348CS..Hα-helixtrans-60.5-48.6172.2175.9-102.7000111.4L598 E599 L601 I602 M607 T608 Q609 S614 F615 M616L598-F612 HydrophobicContact CB-CE2 4.12Å; L598-F612 HydrophobicContact CB-CZ 3.93Å; L598-F612 WeakPolarHBondContact O-CE2 3.49Å; E599-F612 HydrophobicContact CG-CE1 4.06Å; E599-F612 HydrophobicContact CG-CZ 4.12Å; L601-F612 HydrophobicContact CB-CD2 4.37Å; I602-F612 HydrophobicContact CD1-CB 4.18Å; I602-F612 HydrophobicContact CD1-CD1 3.73Å; I602-F612 HydrophobicContact CD1-CE1 4.3Å; I602-F612 HydrophobicContact CD1-CG 3.96Å; I602-F612 HydrophobicContact CG1-CB 3.73Å; I602-F612 HydrophobicContact CG1-CD1 4.03Å; I602-F612 HydrophobicContact CG1-CD2 4.18Å; I602-F612 HydrophobicContact CG1-CG 3.71Å; M607-F612 HydrophobicContact CE-CB 4.41Å; T608-F612 PolarHBondContact O-N 3Å; Q609-F612 WeakPolarHBondContact O-CB 3.48Å; Q609-F612 PolarHBondContact O-N 3.5Å; Q609-F612 VanDerWaalsContact O-N 3.11Å; F612-S614 VanDerWaalsContact C-N 3.28Å; F612-S614 PolarHBondContact O-N 3Å; F612-F615 WeakPolarHBondContact O-CB 3.46Å; F612-F615 PolarHBondContact O-N 2.99Å; F612-F615 VanDerWaalsContact O-N 3.17Å; F612-M616 HydrophobicContact CD1-CG 4.32Å; F612-M616 HydrophobicContact CD2-CG 4.24Å; F612-M616 HydrophobicContact CE1-CG 3.9Å; F612-M616 HydrophobicContact CE2-CG 3.79Å; F612-M616 HydrophobicContact CE2-SD 4.04Å; F612-M616 HydrophobicContact CG-CG 4.48Å; F612-M616 HydrophobicContact CZ-CG 3.61Å; F612-M616 HydrophobicContact CZ-SD 4.09Å; F612-M616 WeakPolarHBondContact O-CG 3.4Å; F612-M616 PolarHBondContact O-N 2.88Å
613S71.2Confident67.2Low57 Ų5769.3 Ų69.340%0.39935%0.354SS..Hα-helixtrans-59.2-36.5174.6-50.60000112.8Q609 K617Q609-S613 PolarHBondContact O-N 3.45Å; Q609-S613 PolarHBondContact O-OG 3.49Å; Q609-S613 VanDerWaalsContact O-OG 3.13Å; S613-K617 WeakPolarHBondContact O-CB 3.31Å; S613-K617 PolarHBondContact O-N 3.13Å
614S74.1Confident66Low50 Ų5065.3 Ų65.335%0.3533%0.334SS..Hα-helixtrans-70.4-40.5175.5-174.30000112.8Q576 K610 R611 F612 V618Q576-S614 PolarHBondContact NE2-OG 2.98Å; K610-S614 PolarHBondContact O-N 3.21Å; R611-S614 PolarHBondContact O-N 3Å; F612-S614 VanDerWaalsContact C-N 3.28Å; F612-S614 PolarHBondContact O-N 3Å; S614-V618 WeakPolarHBondContact O-CB 3.47Å; S614-V618 WeakPolarHBondContact O-CG2 3.28Å; S614-V618 PolarHBondContact O-N 2.66Å
615F76.6Confident64.7Low3 Ų368.2 Ų68.21%0.01337%0.366CS..Hα-helixtrans-59.8-52.6174.1169.8-106000111.2I559 L574 Q575 I577 L601 R611 F612 V618 K619I559-F615 HydrophobicContact CG2-CE1 4.19Å; I559-F615 HydrophobicContact CG2-CZ 4.19Å; L574-F615 HydrophobicContact CB-CE2 4.08Å; L574-F615 HydrophobicContact CB-CZ 4.32Å; L574-F615 HydrophobicContact CD1-CZ 4.44Å; Q575-F615 VanDerWaalsContact O-CD2 3.24Å; Q575-F615 WeakPolarHBondContact O-CD2 3.23Å; Q575-F615 WeakPolarHBondContact O-CE2 3.44Å; I577-F615 HydrophobicContact CD1-CD2 4.42Å; I577-F615 HydrophobicContact CD1-CE2 3.6Å; I577-F615 HydrophobicContact CD1-CZ 3.7Å; I577-F615 HydrophobicContact CG1-CD2 4.3Å; I577-F615 HydrophobicContact CG1-CE2 3.82Å; I577-F615 HydrophobicContact CG1-CZ 4.41Å; L601-F615 HydrophobicContact CD2-CE1 4.5Å; R611-F615 WeakPolarHBondContact O-CB 3.37Å; R611-F615 PolarHBondContact O-N 3.49Å; F612-F615 WeakPolarHBondContact O-CB 3.46Å; F612-F615 PolarHBondContact O-N 2.99Å; F612-F615 VanDerWaalsContact O-N 3.17Å; F615-V618 PolarHBondContact O-N 2.63Å; F615-K619 PolarHBondContact O-N 3.27Å
616M72.7Confident63.7Low8 Ų864 Ų644%0.03935%0.348CS..Hα-helixtrans-59.5-51177.7-70.3-52.6-60.400111.7K556 L598 F612 V618 K619 L620K556-M616 HydrophobicContact CG-CE 3.9Å; L598-M616 HydrophobicContact CD1-CE 3.59Å; L598-M616 HydrophobicContact CD1-SD 4.01Å; F612-M616 HydrophobicContact CD1-CG 4.32Å; F612-M616 HydrophobicContact CD2-CG 4.24Å; F612-M616 HydrophobicContact CE1-CG 3.9Å; F612-M616 HydrophobicContact CE2-CG 3.79Å; F612-M616 HydrophobicContact CE2-SD 4.04Å; F612-M616 HydrophobicContact CG-CG 4.48Å; F612-M616 HydrophobicContact CZ-CG 3.61Å; F612-M616 HydrophobicContact CZ-SD 4.09Å; F612-M616 WeakPolarHBondContact O-CG 3.4Å; F612-M616 PolarHBondContact O-N 2.88Å; M616-V618 VanDerWaalsContact C-N 3.34Å; M616-V618 PolarHBondContact O-N 3.24Å; M616-K619 PolarHBondContact O-N 3.38Å; M616-L620 HydrophobicContact CB-CD1 4.46Å; M616-L620 HydrophobicContact CE-CD1 3.97Å; M616-L620 HydrophobicContact CE-CG 4.25Å; M616-L620 WeakPolarHBondContact O-CB 3.12Å; M616-L620 VanDerWaalsContact O-CG 3.25Å; M616-L620 WeakPolarHBondContact O-CG 3.32Å; M616-L620 PolarHBondContact O-N 2.98Å
617K68.6Low62.5Low81 Ų8168 Ų6835%0.35236%0.36SS..Hα-helixtrans-58.9-43-179.1-175.8162.1-176.4159.70112.4W543 S613 Q621W543-K617 HydrophobicContact CD2-CD 4.45Å; W543-K617 HydrophobicContact CH2-CB 4.49Å; S613-K617 WeakPolarHBondContact O-CB 3.31Å; S613-K617 PolarHBondContact O-N 3.13Å; K617-Q621 VanDerWaalsContact O-CB 3.27Å; K617-Q621 WeakPolarHBondContact O-CB 3.48Å; K617-Q621 WeakPolarHBondContact O-CG 3.4Å; K617-Q621 PolarHBondContact O-N 3.34Å
618V65.4Low61Low45 Ų4577.1 Ų77.127%0.27339%0.394SS..Hα-helixtrans-67.9-47.5178.7170.20000111.7S614 F615 M616 Q621 T622S614-V618 WeakPolarHBondContact O-CB 3.47Å; S614-V618 WeakPolarHBondContact O-CG2 3.28Å; S614-V618 PolarHBondContact O-N 2.66Å; F615-V618 PolarHBondContact O-N 2.63Å; M616-V618 VanDerWaalsContact C-N 3.34Å; M616-V618 PolarHBondContact O-N 3.24Å; V618-Q621 CarbonylContact O-C 3.59Å; V618-Q621 PolarHBondContact O-N 3.02Å; V618-T622 PolarHBondContact O-N 3.36Å; V618-T622 VanDerWaalsContact O-N 3.14Å; V618-T622 PolarHBondContact O-OG1 3.31Å
619K64.2Low59.5Low38 Ų3879.5 Ų79.517%0.16540%0.404CS..Hα-helixtrans-69.9-40.2-177-94.7-73.9-177.1170.50113.3I559 G573 F615 M616 Q621 T622 Q623I559-K619 HydrophobicContact CD1-CB 4.11Å; G573-K619 PolarHBondContact O-NZ 3.29Å; F615-K619 PolarHBondContact O-N 3.27Å; M616-K619 PolarHBondContact O-N 3.38Å; K619-Q621 VanDerWaalsContact C-N 3.34Å; K619-Q621 PolarHBondContact O-N 3.28Å; K619-T622 WeakPolarHBondContact O-CA 3.4Å; K619-T622 WeakPolarHBondContact O-CB 3.07Å; K619-T622 PolarHBondContact O-N 2.93Å; K619-Q623 PolarHBondContact O-N 3.35Å; K619-Q623 VanDerWaalsContact O-N 3.15Å
620L59.2Low58.5Low1 Ų178.5 Ų78.51%0.00540%0.399CS..Hα-helixtrans-59.9-45.2173.8-67.6168.6000110.6W543 L552 K556 M616 T622 Q623 T624W543-L620 HydrophobicContact CZ3-CD1 4.26Å; L552-L620 HydrophobicContact CD1-CD1 4.03Å; L552-L620 HydrophobicContact CD1-CD2 4.06Å; L552-L620 HydrophobicContact CD1-CG 4.49Å; K556-L620 HydrophobicContact CG-CD2 4.4Å; M616-L620 HydrophobicContact CB-CD1 4.46Å; M616-L620 HydrophobicContact CE-CD1 3.97Å; M616-L620 HydrophobicContact CE-CG 4.25Å; M616-L620 WeakPolarHBondContact O-CB 3.12Å; M616-L620 VanDerWaalsContact O-CG 3.25Å; M616-L620 WeakPolarHBondContact O-CG 3.32Å; M616-L620 PolarHBondContact O-N 2.98Å; L620-T622 PolarHBondContact O-N 3.33Å; L620-T622 VanDerWaalsContact O-N 3.1Å; L620-Q623 PolarHBondContact O-N 3.37Å; L620-Q623 VanDerWaalsContact O-N 3.08Å; L620-T624 PolarHBondContact O-N 3.15Å; L620-T624 VanDerWaalsContact O-N 3.12Å; L620-T624 PolarHBondContact O-OG1 2.88Å
621Q53.6Low57.2Low106 Ų10677.6 Ų77.650%0.49539%0.391SS..Hα-helixtrans-65.9-6.5172.2-71.4180-22.400114.9K617 V618 K619K617-Q621 VanDerWaalsContact O-CB 3.27Å; K617-Q621 WeakPolarHBondContact O-CB 3.48Å; K617-Q621 WeakPolarHBondContact O-CG 3.4Å; K617-Q621 PolarHBondContact O-N 3.34Å; V618-Q621 CarbonylContact O-C 3.59Å; V618-Q621 PolarHBondContact O-N 3.02Å; K619-Q621 VanDerWaalsContact C-N 3.34Å; K619-Q621 PolarHBondContact O-N 3.28Å
622T56.3Low56Low80 Ų8077 Ų7749%0.49140%0.397SS..Hα-helixtrans-99.8-18.3171.8-29.70000112.7V618 K619 L620V618-T622 PolarHBondContact O-N 3.36Å; V618-T622 VanDerWaalsContact O-N 3.14Å; V618-T622 PolarHBondContact O-OG1 3.31Å; K619-T622 WeakPolarHBondContact O-CA 3.4Å; K619-T622 WeakPolarHBondContact O-CB 3.07Å; K619-T622 PolarHBondContact O-N 2.93Å; L620-T622 PolarHBondContact O-N 3.33Å; L620-T622 VanDerWaalsContact O-N 3.1Å
623Q50.3Low54.1Low81 Ų8181.5 Ų81.538%0.37942%0.422SS..Hα-helixtrans-102.6-25.2-176.8-71.3-177.6-72.900113.6K619 L620 G625K619-Q623 PolarHBondContact O-N 3.35Å; K619-Q623 VanDerWaalsContact O-N 3.15Å; L620-Q623 PolarHBondContact O-N 3.37Å; L620-Q623 VanDerWaalsContact O-N 3.08Å; Q623-G625 PolarHBondContact O-N 3.01Å
624T48.9Very low52.5Low33 Ų3384.9 Ų84.920%0.20243%0.43CS..SBendtrans-79.57.617955.80000115.1L547 V551 L620 L626L547-T624 HydrophobicContact CD2-CG2 4.44Å; V551-T624 HydrophobicContact CG1-CG2 4.34Å; L620-T624 PolarHBondContact O-N 3.15Å; L620-T624 VanDerWaalsContact O-N 3.12Å; L620-T624 PolarHBondContact O-OG1 2.88Å; T624-L626 PolarHBondContact O-N 3.27Å
625G49.3Very low50.9Low70 Ų7084.8 Ų84.872%0.72244%0.436SS*.  trans65.67.9168.200000117.4Q623 D627Q623-G625 PolarHBondContact O-N 3.01Å; G625-D627 PolarHBondContact O-N 2.88Å
626L42.7Very low49.1Very low83 Ų8388.6 Ų88.644%0.43546%0.459SS..  trans-71.4118.1-172.2-79.5158.8000113.1L547 T624L547-L626 HydrophobicContact CD2-CD1 3.81Å; T624-L626 PolarHBondContact O-N 3.27Å
627D40.7Very low47.4Very low125 Ų12593 Ų9367%0.66849%0.487SS*.  trans-80.2165.6-166.2-164.418.4000114.6G625 N629 Q630G625-D627 PolarHBondContact O-N 2.88Å; D627-N629 VanDerWaalsContact C-N 3.28Å; D627-N629 PolarHBondContact O-N 2.92Å; D627-Q630 PolarHBondContact O-N 3.43Å
628R41.2Very low45.8Very low201 Ų20196.8 Ų96.876%0.75851%0.508SS*.THydrogen-bonded Turntrans-48.3-38.4-167.5-85.1179.3161.7173.8-4.4115.2Q630 R631R628-Q630 VanDerWaalsContact C-N 3.33Å; R628-Q630 PolarHBondContact O-N 2.9Å; R628-R631 WeakPolarHBondContact O-CB 3.48Å; R628-R631 PolarHBondContact O-N 2.92Å; R628-R631 VanDerWaalsContact O-N 3.12Å
629N39.7Very low44.5Very low129 Ų12998.6 Ų98.669%0.6953%0.528SS*.THydrogen-bonded Turntrans-67.3-28.2-172.9-76.5-5.3000113.7D627 R631 L632D627-N629 VanDerWaalsContact C-N 3.28Å; D627-N629 PolarHBondContact O-N 2.92Å; N629-R631 VanDerWaalsContact C-N 3.3Å; N629-R631 PolarHBondContact O-N 3.42Å; N629-L632 PolarHBondContact O-N 3.15Å
630Q39.9Very low43.3Very low117 Ų117102.2 Ų102.255%0.54755%0.553SS.*Hα-helixtrans-75.4-17175.5-68.2-163.16.500113.6D627 R628 L632 N633 F634D627-Q630 PolarHBondContact O-N 3.43Å; R628-Q630 VanDerWaalsContact C-N 3.33Å; R628-Q630 PolarHBondContact O-N 2.9Å; Q630-L632 VanDerWaalsContact C-N 3.26Å; Q630-L632 PolarHBondContact O-N 3.47Å; Q630-N633 PolarHBondContact O-N 2.95Å; Q630-F634 PolarHBondContact O-N 3.23Å
631R42.8Very low42.1Very low171 Ų171108.7 Ų108.765%0.64559%0.587SS**Hα-helixtrans-68.7-24.5176.2-63.6-172.4178-166.3-2.5113R628 N629 G635R628-R631 WeakPolarHBondContact O-CB 3.48Å; R628-R631 PolarHBondContact O-N 2.92Å; R628-R631 VanDerWaalsContact O-N 3.12Å; N629-R631 VanDerWaalsContact C-N 3.3Å; N629-R631 PolarHBondContact O-N 3.42Å; R631-G635 PolarHBondContact O-N 3.02Å
632L42.3Very low41.2Very low120 Ų120112.1 Ų112.163%0.62861%0.605SS**Hα-helixtrans-70-48.2176.5-73.4164.2000111N629 Q630 F634 G635 V636N629-L632 PolarHBondContact O-N 3.15Å; Q630-L632 VanDerWaalsContact C-N 3.26Å; Q630-L632 PolarHBondContact O-N 3.47Å; L632-F634 VanDerWaalsContact C-N 3.35Å; L632-F634 PolarHBondContact O-N 3.22Å; L632-G635 WeakPolarHBondContact O-CA 3.34Å; L632-G635 PolarHBondContact O-N 3.06Å; L632-V636 WeakPolarHBondContact O-CG2 3.22Å; L632-V636 PolarHBondContact O-N 3.41Å
633N36.9Very low39.9Very low113 Ų113115.4 Ų115.460%0.60462%0.62SS**Hα-helixtrans-63.8-36.4-179.2-73.44.4000112.9Q630 G635 V636 V637Q630-N633 PolarHBondContact O-N 2.95Å; N633-G635 VanDerWaalsContact C-N 3.29Å; N633-G635 PolarHBondContact O-N 2.83Å; N633-V636 PolarHBondContact O-N 3.02Å; N633-V637 WeakPolarHBondContact O-CG2 3.44Å; N633-V637 PolarHBondContact O-N 3.18Å
634F36.5Very low39.1Very low128 Ų128117.2 Ų117.256%0.56164%0.639SS**Hα-helixtrans-67-27.3173-98.4-78.7000114.1Q630 L632Q630-F634 PolarHBondContact O-N 3.23Å; L632-F634 VanDerWaalsContact C-N 3.35Å; L632-F634 PolarHBondContact O-N 3.22Å
635G40.7Very low38.2Very low47 Ų47120 Ų12049%0.48567%0.665SS.*Hα-helixtrans-70.4-42.6169.600000112.1R631 L632 N633 A639R631-G635 PolarHBondContact O-N 3.02Å; L632-G635 WeakPolarHBondContact O-CA 3.34Å; L632-G635 PolarHBondContact O-N 3.06Å; N633-G635 VanDerWaalsContact C-N 3.29Å; N633-G635 PolarHBondContact O-N 2.83Å; G635-A639 WeakPolarHBondContact O-CB 3.32Å; G635-A639 PolarHBondContact O-N 3.42Å
636V39.2Very low37.3Very low83 Ų83122.3 Ų122.350%0.50367%0.667SS.*Hα-helixtrans-65.8-47.8179.9173.90000111.9L632 N633 M638 A639 V640L632-V636 WeakPolarHBondContact O-CG2 3.22Å; L632-V636 PolarHBondContact O-N 3.41Å; N633-V636 PolarHBondContact O-N 3.02Å; V636-M638 VanDerWaalsContact C-N 3.26Å; V636-M638 PolarHBondContact O-N 3.39Å; V636-A639 PolarHBondContact O-N 3.36Å; V636-V640 HydrophobicContact CG1-CG2 4.22Å; V636-V640 WeakPolarHBondContact O-CG2 3.49Å; V636-V640 PolarHBondContact O-N 2.95Å
637V36.7Very low36.7Very low102 Ų102123.2 Ų123.262%0.61869%0.687SS**Hα-helixtrans-61.5-32.6-176.9172.30000112.6N633N633-V637 WeakPolarHBondContact O-CG2 3.44Å; N633-V637 PolarHBondContact O-N 3.18Å
638M35.3Very low36.1Very low159 Ų159123.5 Ų123.578%0.78369%0.693SS**Hα-helixtrans-81.3-20.6173.2-84-73-17700114.1V636V636-M638 VanDerWaalsContact C-N 3.26Å; V636-M638 PolarHBondContact O-N 3.39Å
639A37.7Very low35.4Very low84 Ų84125.2 Ų125.269%0.69470%0.699SS**Hα-helixtrans-81.2-25.6175.700000112.9G635 V636G635-A639 WeakPolarHBondContact O-CB 3.32Å; G635-A639 PolarHBondContact O-N 3.42Å; V636-A639 PolarHBondContact O-N 3.36Å
640V38.6Very low35.1Very low114 Ų114125.1 Ų125.169%0.69171%0.706SS**Hα-helixtrans-76.7-24-1801710000112.7V636V636-V640 HydrophobicContact CG1-CG2 4.22Å; V636-V640 WeakPolarHBondContact O-CG2 3.49Å; V636-V640 PolarHBondContact O-N 2.95Å
641N35.7Very low34.5Very low136 Ų136123.3 Ų123.373%0.72772%0.719SS**SBendtrans-115.464.6-170.8-160.53.3000113.8
642M32.9Very low33.9Very low179 Ų179123.8 Ų123.888%0.88273%0.728SS**SBendtrans-164.352.4160.3-104.7-68.4151.600111.1
643N29.8Very low33Very low149 Ų149127.5 Ų127.580%0.79774%0.743SS**  trans-146.6115.3169.3-155.534.4000109.5
644P33.3Very low32.7Very low119 Ų119130.3 Ų130.377%0.77375%0.752SS**PPolyproline II helixtrans-72.9136.7-18029.5-33.3000111.2
645A29.9Very low32.4Very low91 Ų91129.6 Ų129.675%0.75276%0.76SS**PPolyproline II helixtrans-75.8155.5177.200000112.1
646P31.9Very low31.5Very low118 Ų118132.1 Ų132.177%0.76677%0.77SS**PPolyproline II helixtrans-69.8151172.530.7-35.7000111.8
647A29.4Very low30.9Very low102 Ų102135.5 Ų135.584%0.84379%0.785SS**PPolyproline II helixtrans-76.7136.917000000110.8
648V28.2Very low30.5Very low132 Ų132138 Ų13880%0.879%0.791SS**PPolyproline II helixtrans-97.4144.8-177.6170.10000110.2
649W27Very low30.1Very low236 Ų236136.5 Ų136.589%0.89479%0.787SS**PPolyproline II helixtrans-81.3136.3169.3-72.938.3000109.9
650P31.4Very low29.7Very low127 Ų127140.1 Ų140.183%0.82579%0.789SS**PPolyproline II helixtrans-67.3146.3163.930.9-33.2000110.1
651G28.1Very low29.2Very low80 Ų80142.1 Ų142.183%0.82580%0.796SS**  trans-97.3-175.9-170.900000115.5
652E29.3Very low28.9Very low181 Ų181143 Ų14385%0.84680%0.8SS**  trans-84.7148.5176.6-59.5166.2102.600112.2
653E24.7Very low29.7Very low198 Ų198139.6 Ų139.693%0.92579%0.792SS**  trans-127.4143.2142.3-74.2-166.9136.700108.2
654Q29.3Very low29.6Very low172 Ų172138.5 Ų138.580%0.80479%0.79SS**  trans-88.1166179.4-56.9-178.9-30.500110.5
655P30.8Very low29.3Very low113 Ų113137.5 Ų137.573%0.73479%0.786SS**  -150.8165.792.239.9-23000117.4
656S23.2Very low29.2Very low99 Ų99138 Ų13869%0.69278%0.784SS**  trans55.5114.8142.162.30000122.6
657L25.8Very low29Very low154 Ų154141.3 Ų141.381%0.80679%0.789SS**  53.2149.2112.2-117.873.8000122.2
658M27.4Very low29Very low154 Ų154141.1 Ų141.176%0.75979%0.788SS**  trans71.5143169.9-65.8165162.300115
659D28Very low29Very low128 Ų128139.1 Ų139.168%0.68479%0.785SS**  cis-152.4-177.2-6.3-119.9-29000113
660H30Very low29Very low160 Ų160133.5 Ų133.574%0.74178%0.777SS**  trans-42.4144.8176.1-79.2-110.2000118.5
661D27.8Very low28.9Very low157 Ų157134.9 Ų134.984%0.8478%0.776SS**  159.5152.2105.7-93.4-32.8000116
662D29.6Very low29.8Very low153 Ų153136.8 Ų136.882%0.81877%0.773SS**  trans-90.4-169.7165.5-93.2-52.9000110
663P48.9Very low30Very low109 Ų109135.3 Ų135.371%0.70877%0.768SS**  cis-136.5-157.8-9.919.69.2000114
664V28.2Very low31.2Very low126 Ų126132.1 Ų132.176%0.76476%0.764SS**  trans95.797.8147.4-172.20000121.9
665S26.8Very low31.2Very low98 Ų98129.4 Ų129.469%0.68576%0.763SS**  67150.4120.7-164.10000126.1
666S28.2Very low31Very low101 Ų101127.8 Ų127.871%0.70677%0.768SS**  trans72.8155.9145.2290000121
667Q27.5Very low31.4Very low187 Ų187128.6 Ų128.687%0.87477%0.773SS**  cis-170.8177.8-34.1-124-172.623.100109.5
668A28.2Very low32.6Very low99 Ų99127.7 Ų127.782%0.81878%0.776SS**  trans68.9161.1162.500000118.1
669A28.8Very low32.6Very low90 Ų90124 Ų12474%0.74478%0.778SS**  cis-177.9169.1-21.500000107.2
670V27.1Very low32.7Very low118 Ų118123 Ų12372%0.71579%0.787SS**  cis173.6129.7-7.2139.40000108.3
671I29.8Very low32.7Very low156 Ų156124.8 Ų124.880%0.880%0.796SS**  trans63.2166.6145.6-66.5-179.3000118.6
672P47.3Very low32.8Very low119 Ų119125.9 Ų125.977%0.77380%0.796SS**  cis-124.7-179.1-3.622.42.6000118.4
673M33.5Very low32.8Very low150 Ų150126.2 Ų126.274%0.73980%0.797SS**  trans-82.9-174165.4-54.5-130-62.200113.5C675M673-C675 WeakPolarHBondContact CE-SG 3.42Å
674P49.2Very low31.8Very low131 Ų131127.7 Ų127.785%0.85180%0.798SS**  -146.4176.988.938.7-21.3000116.5
675C29.5Very low31.9Very low115 Ų115130.1 Ų130.178%0.77780%0.801SS**  trans-116.3170.7176.9-64.20000112.7M673M673-C675 WeakPolarHBondContact CE-SG 3.42Å
676G26.5Very low31.9Very low80 Ų80129.4 Ų129.483%0.82580%0.796SS**  trans-163.6135.7170.100000115.5
677S32.5Very low31.9Very low116 Ų116130.4 Ų130.481%0.81180%0.802SS**  trans-160.4156.6166.2720000106.2
678P49.8Very low31.9Very low134 Ų134127 Ų12787%0.8780%0.799SS**  -148.2-16659.341.5-20.8000114.6
679G27.1Very low32Very low77 Ų77127.3 Ų127.379%0.79479%0.794SS**  trans168.6141.216700000112.2
680A30.1Very low32.9Very low106 Ų106128.4 Ų128.488%0.87679%0.794SS**  trans-151.8148.8179.900000111.2
681E30.8Very low33.1Very low198 Ų198128.3 Ų128.393%0.92579%0.794SS**  trans-158.2160.5167.4-137.9164.8-147.400111
682E30.1Very low33.1Very low180 Ų180127.6 Ų127.684%0.84179%0.792SS**  trans-96.7161.8-176.4-64.3177.791.800112.5
683L29Very low32.2Very low161 Ų161128.2 Ų128.284%0.84379%0.793SS**  -175.4145.5119.5-98.7165.8000115.4
684L28.1Very low31.9Very low140 Ų140132.6 Ų132.673%0.73380%0.802SS**  trans-46.7143.6-177.7-61.5159.7000118.4
685H30Very low32.3Very low176 Ų176131.1 Ų131.182%0.81579%0.792SS**  155.5150.2122.8-89.5-74.3000111.5
686S27.8Very low33.2Very low84 Ų84131.1 Ų131.159%0.58779%0.791SS**  cis177.6154.4-41.451.50000108
687C26.5Very low33.6Very low122 Ų122138.7 Ų138.782%0.82479%0.794SS**  trans73.5144.1173.8-51.50000116.5
688S28.7Very low33.5Very low116 Ų116138.4 Ų138.481%0.81179%0.793SS**  cis-167142.5-14.544.70000111.2
689S31Very low32.7Very low104 Ų104140.9 Ų140.973%0.72779%0.79SS**  trans-96.8165.7166.154.30000111.9
690P46.8Very low32.9Very low113 Ų113142.4 Ų142.473%0.73479%0.788SS**  -131.8139.7109.96.716.1000112.6
691T31.4Very low33.1Very low116 Ų116145.2 Ų145.271%0.71278%0.781SS**  60.6136.379.9730000114.6
692D30.3Very low33Very low141 Ų141138.8 Ų138.875%0.75477%0.768SS**  cis-164.3-172.93.5-138.8-47.7000113.8
693T28.2Very low33Very low132 Ų132136.3 Ų136.381%0.8176%0.756SS**  trans109.1133.2152.671.40000121.3
694R27.4Very low32.9Very low242 Ų242136.2 Ų136.291%0.91376%0.755SS**  trans-175.3-178.3179.3-111-171.9177.8-172.42.2108
695P56.6Low32.8Very low101 Ų101134.7 Ų134.766%0.65675%0.752SS**  cis-104.6-107.5-5.433.1-13.3000110.1
696P49.5Very low32.7Very low115 Ų115134.2 Ų134.275%0.74775%0.753SS**  cis-62.5-169.3-30.2-24.939.9000114.8
697R33.3Very low32.7Very low238 Ų238136.1 Ų136.190%0.89876%0.761SS**  cis84.1131.82.6-65.1-170.4176.5-171.20.6119.4
698S30.2Very low33.1Very low111 Ų111137.5 Ų137.578%0.77676%0.759SS**  cis-145.1170.1-3.1520000109.1
699K34.5Very low32.9Very low185 Ų185139.8 Ų139.880%0.80476%0.762SS**  cis93.399.913.6-152.4-151.6178.7-1630118.9
700S29.9Very low32.9Very low109 Ų109141.6 Ų141.676%0.76276%0.759SS**  trans-131.3114.8157.551.50000108.9
701K34.6Very low32.1Very low166 Ų166144 Ų14472%0.72276%0.758SS**  6813385.6-74.3-160.3165.2-1600114E703K701-E703 WeakPolarHBondContact CE-OE1 3.3Å; K701-E703 IonicContact NZ-OE1 3.94Å
702G29.9Very low32Very low63 Ų63145.4 Ų145.465%0.64976%0.76SS**  cis-85.1-165.5200000116.5
703E28.7Very low32Very low127 Ų127147.3 Ų147.359%0.59376%0.762SS**  cis82.4139.15.6-60.1101.186.300115.9K701K701-E703 WeakPolarHBondContact CE-OE1 3.3Å; K701-E703 IonicContact NZ-OE1 3.94Å
704L26.7Very low32.1Very low159 Ų159148.2 Ų148.283%0.83276%0.762SS**  cis-156.5149.521.1-16564.9000116.7
705V27.3Very low32.2Very low109 Ų109140.3 Ų140.366%0.66176%0.756SS**  trans31.6135.5156.8178.80000125.1V707V705-V707 HydrophobicContact CG1-CG2 3.86Å
706I28.1Very low31.1Very low165 Ų165143.9 Ų143.985%0.84677%0.769SS**  trans-128.3142.7147.5-66.2177.9000109.5
707V27.7Very low30.1Very low124 Ų124141.8 Ų141.875%0.75277%0.768SS**  trans-124.9147.2173.4173.30000110.1V705V705-V707 HydrophobicContact CG1-CG2 3.86Å
708I33.7Very low30Very low151 Ų151138.7 Ų138.777%0.77477%0.768SS**  trans-96143.1-179.1-59.6168000110.3
709N26.1Very low30.4Very low165 Ų165141.8 Ų141.888%0.88277%0.77SS**  trans-157.1161.9150.1-121.9-24.8000113.5
710E30.6Very low30.9Very low142 Ų142138.9 Ų138.966%0.66477%0.769SS**  trans-107.5174.2-170.8-51.9-179.4119.600115.3
711K28.4Very low30.9Very low164 Ų164136.8 Ų136.871%0.71377%0.765SS**  trans114.4104.7138-80.3162.9171.6110.40121
712L29.9Very low31.5Very low145 Ų145135.1 Ų135.176%0.75977%0.771SS**  49.6109.3109.7-89.7160.9000121.4
713K31.3Very low31.5Very low180 Ų180136.8 Ų136.878%0.78378%0.779SS**  166.3136.6103.4-95.1176.3178.7-1790117.5
714N30.1Very low31.5Very low152 Ų152139.7 Ų139.781%0.81379%0.793SS**  trans41.1139.9137.6-56.717.9000125.2
715G30.2Very low31.6Very low76 Ų76138 Ų13878%0.78479%0.794SS**  trans179.6131.8156.100000114.4
716N33.2Very low31.7Very low176 Ų176139.3 Ų139.394%0.94180%0.803SS**  trans-81.7167.4-173.1-59.9-19.2000113.9
717G28.9Very low31.9Very low70 Ų70137.1 Ų137.172%0.72280%0.802SS**  cis-149.7-127.94.600000111.7
718I29.5Very low32.3Very low173 Ų173136.5 Ų136.589%0.88780%0.8SS**  cis-153.6174.8-0.3-63.2-176000108.4
719H38.4Very low32.1Very low177 Ų177136.2 Ų136.282%0.81981%0.805SS**  trans-97173.8-176-95.3-55.9000115.4
720P46Very low32.3Very low123 Ų123135.8 Ų135.880%0.79980%0.801SS**  cis-136.7-172.228.642.4-22.2000118.2
721G29.5Very low32.2Very low65 Ų65134 Ų13467%0.6781%0.805SS**  trans-98.1-151.6176.900000114.4
722P48Very low32.3Very low131 Ų131131.8 Ų131.885%0.85181%0.81SS**  cis-142-158.921.444.3-24.3000115.9
723A28.8Very low32.6Very low99 Ų99130.6 Ų130.682%0.81881%0.811SS**  trans107.5142.5149.800000121.3
724E28.8Very low33Very low188 Ų188128.1 Ų128.188%0.87981%0.813SS**  trans-72.5164.4-165.9-54.5163.713200116.8
725S28.3Very low33Very low122 Ų122132.5 Ų132.585%0.85382%0.818SS**  -179.5163.7112.941.90000113.1
726T30.3Very low33Very low138 Ų138139.3 Ų139.385%0.84782%0.82SS**PPolyproline II helixtrans-103.7160.4-166.946.80000114.7
727S31.9Very low32.8Very low118 Ų118139.7 Ų139.783%0.82582%0.816SS**PPolyproline II helixtrans-76.9132.8-179.9-45.10000113.1
728P36.9Very low32.9Very low112 Ų112143.8 Ų143.873%0.72782%0.817SS**PPolyproline II helixtrans-89136.5172.433.1-32.2000112.9
729V29.3Very low32.8Very low145 Ų145141.1 Ų141.188%0.87981%0.813SS**PPolyproline II helixtrans-79.2137.5163.7174.70000109
730I29.7Very low32.4Very low155 Ų155139.5 Ų139.580%0.79581%0.809SS**  trans-122.6133.9169.4-63.3-177000110.2
731S28.3Very low31.5Very low106 Ų106139 Ų13974%0.74181%0.808SS**PPolyproline II helixtrans-93.6162.3-170.551.20000113.6
732S31Very low31.5Very low117 Ų117146.1 Ų146.182%0.81882%0.817SS**PPolyproline II helixtrans-83.8136-179.2-48.60000112.7
733P37Very low31.2Very low119 Ų119145.6 Ų145.677%0.77381%0.813SS**PPolyproline II helixtrans-77.7154.3176.331.1-34.8000113.1
734P38.2Very low31.3Very low129 Ų129149.5 Ų149.584%0.83881%0.814SS**PPolyproline II helixtrans-83.3155.3-169.332.7-36.7000115.1
735R31.3Very low31.4Very low243 Ų243150 Ų15092%0.91782%0.816SS**  trans-92.7100.6-173.9-168-176.6-161.2173.36.5111.7
736R29.3Very low31.5Very low220 Ų220148.4 Ų148.483%0.8381%0.81SS**  trans-63.9137.9173.1-79.8-171.3174.6-176-0.5111.6
737Q28.7Very low31.7Very low183 Ų183151.9 Ų151.986%0.85581%0.814SS**  trans-97.3141.9166.3-63.4179-4.300109
738H31.8Very low31.6Very low157 Ų157152.6 Ų152.673%0.72781%0.813SS**  trans-129.3108.3167-81.6-85.2000109.4
739S27.6Very low31.3Very low116 Ų116159 Ų15981%0.81182%0.823SS**  trans-105.5121.9167.352.30000108.5
740I30.4Very low31.4Very low143 Ų143161.9 Ų161.973%0.73382%0.823SS**  trans-116.3132.5174.4-62.6177.7000108.3Y742I740-Y742 HydrophobicContact CG2-CD2 3.96Å; I740-Y742 HydrophobicContact CG2-CE2 3.9Å
741S26Very low31.5Very low113 Ų113157.8 Ų157.879%0.7982%0.82SS**  trans-136.5132-179.554.30000109.6
742Y30.2Very low31.8Very low215 Ų215158.2 Ų158.284%0.84382%0.822SS**  trans-125152.5171.8-86.2-83.7000110.9I740I740-Y742 HydrophobicContact CG2-CD2 3.96Å; I740-Y742 HydrophobicContact CG2-CE2 3.9Å
743P40.8Very low32.1Very low120 Ų120164.4 Ų164.478%0.77983%0.828SS**  trans-94.3176.5-15937.6-37.5000115.1
744H30.8Very low31.9Very low180 Ų180163.2 Ų163.283%0.83383%0.828SS**  trans-67.9152178.7-70.4-94.7000114.4
745H32.6Very low31.5Very low199 Ų199160.8 Ų160.892%0.92183%0.827SS**  trans-128.9149.4140.8-98.7-72.6000110.3
746A29.7Very low31.6Very low88 Ų88154.1 Ų154.173%0.72782%0.817SS**  trans-128.8154.1179.700000111
747K33.6Very low31.8Very low212 Ų212151.8 Ų151.892%0.92282%0.819SS**  trans-160.3160163-109.5158.4-173.4176.90110.5
748T31.6Very low31.9Very low133 Ų133145.7 Ų145.782%0.81681%0.806SS**  trans-144.1145.1-161.351.30000112.8
749R29.9Very low31.9Very low247 Ų247148.8 Ų148.893%0.93281%0.813SS**  trans165169.3154.1-97.6175.5169.5-163.7-3.4110.3
750K32.2Very low31.9Very low204 Ų204148.5 Ų148.589%0.88781%0.806SS**  -168.6129.8-60.6-140.1-176.4-178.7-173.50110.2
751G31.1Very low31.9Very low70 Ų70146.3 Ų146.372%0.72281%0.809SS**  trans79.3168164.800000117.6
752S35.2Very low31.9Very low114 Ų114150.2 Ų150.280%0.79781%0.812SS**  cis-170.6135.2-13-93.70000113.2
753R35.3Very low31.7Very low248 Ų248145.3 Ų145.394%0.93681%0.81SS**  trans62.9155153.7-74.4-176161.2175.7-7.4119.1
754A33.3Very low32.2Very low94 Ų94144.8 Ų144.878%0.77781%0.806SS**  cis-165.3160.2-1700000113
755G30.8Very low32.5Very low78 Ų78147.7 Ų147.780%0.80481%0.81SS**  trans86.9158.4159.800000117.6
756S32.8Very low32.6Very low103 Ų103144.6 Ų144.672%0.7281%0.807SS**  cis-168.2135.5-23-160.60000110.9
757I34.2Very low32.6Very low170 Ų170145.3 Ų145.387%0.87281%0.807SS**  trans60.8139.6164.9-58.7158.1000116.4
758G30.4Very low32.6Very low55 Ų55143.4 Ų143.457%0.56781%0.806SS**  cis168.9140.3-10.300000112.2
759Y30.9Very low32.8Very low223 Ų223141.8 Ų141.888%0.87580%0.8SS**  trans61.3143.6173.1-66.8-93.4000119.5
760T29.2Very low32.9Very low110 Ų110142.1 Ų142.168%0.67580%0.801SS**  cis-160.8133.9-40.919.90000107.6F762T760-F762 HydrophobicContact CG2-CE2 4.44Å
761A28.7Very low33.2Very low96 Ų96141.4 Ų141.479%0.79380%0.801SS**  trans-133.6145.116600000109.2
762F27Very low33.2Very low195 Ų195143.6 Ų143.686%0.85581%0.805SS**  trans-123.598.7-176.5-98.3-72.6000114.7T760T760-F762 HydrophobicContact CG2-CE2 4.44Å
763S26.8Very low33.3Very low113 Ų113143.8 Ų143.879%0.7981%0.806SS**  trans-172.8159.5161.1-82.80000107.7
764P50.3Low33.2Very low109 Ų109140.4 Ų140.471%0.70881%0.805SS**  cis-135.7163.8-30.738.5-23.2000113.8
765R37.2Very low33.3Very low241 Ų241140 Ų14091%0.90980%0.802SS**  trans67161.5175.9-49-176.9174.5-167.9-1.5114.5
766P34.6Very low33.6Very low134 Ų134142.8 Ų142.887%0.8780%0.803SS**  -144.3-157.785.541.4-24.1000113.4
767S29.1Very low33.5Very low103 Ų103145.4 Ų145.472%0.7281%0.809SS**  trans-135159.6-176.8560000113.4
768L34.5Very low33.7Very low172 Ų172142.2 Ų142.290%0.90180%0.8SS**  trans75.1172.6172-99.575.5000117.7
769S36.4Very low33.9Very low99 Ų99145.8 Ų145.869%0.69281%0.813SS**  trans-135154.2-140.756.50000115
770R30.9Very low34.3Very low253 Ų253139 Ų13996%0.95579%0.791SS**  trans-151.8156.1137.8-107.6169.6-166.7-153.71.1110.3
771H39.3Very low35Very low190 Ų190139.5 Ų139.588%0.8879%0.79SS**  trans-97.2142-172.5-80.7-90.5000113.2
772S30.5Very low35.8Very low115 Ų115144.5 Ų144.580%0.80479%0.788SS**  trans-153123.1137.343.80000112.1
773S36.8Very low36.9Very low119 Ų119140.4 Ų140.483%0.83278%0.779SS**  trans26.2107.3147.8-49.20000121.3
774I34.1Very low38.3Very low176 Ų176143.1 Ų143.190%0.90378%0.777SS**  -153.1149.7127.1-116.7167.4000110.1
775A35.8Very low38.9Very low86 Ų86139.8 Ų139.871%0.71175%0.754SS**  trans-125145.7-175.400000111.5
776T35.5Very low40.3Very low136 Ų136134.8 Ų134.883%0.83474%0.739SS**  trans-176.178.2151.416.10000110.7
777N32.4Very low42.2Very low159 Ų159132.7 Ų132.785%0.8572%0.721SS**  trans-152.9134.2154.7-97.8-68.4000108.3
778P37.8Very low44.6Very low103 Ų103130.2 Ų130.267%0.66970%0.696SS**PPolyproline II helixtrans-66.2155.2173.129.6-34.5000110.3L780P778-L780 PolarHBondContact O-N 3.48Å; P778-L780 VanDerWaalsContact O-N 3.15Å
779P34.2Very low46.8Very low130 Ų130124.9 Ų124.984%0.84467%0.668SS**PPolyproline II helixtrans-59.4121.9178.524.9-33.7000110.2D781P779-D781 PolarHBondContact O-N 3.37Å
780L40.1Very low48.9Very low80 Ų80126.3 Ų126.342%0.41967%0.667SS.*PPolyproline II helixtrans-63.5125.5175-78.1161.5000109.6P778 R782 D824P778-L780 PolarHBondContact O-N 3.48Å; P778-L780 VanDerWaalsContact O-N 3.15Å; L780-R782 HydrophobicContact CB-CG 4.5Å; L780-R782 PolarHBondContact O-N 3.5Å; L780-D824 WeakPolarHBondContact CD1-OD1 3.3Å
781D43.3Very low51.2Low120 Ų120116.3 Ų116.364%0.64263%0.633SS**  trans-61103.7159.9175.19.5000108.3P779 T783P779-D781 PolarHBondContact O-N 3.37Å; D781-T783 VanDerWaalsContact C-N 3.32Å; D781-T783 VanDerWaalsContact OD1-CB 3.32Å; D781-T783 WeakPolarHBondContact OD1-CB 3.27Å; D781-T783 WeakPolarHBondContact OD1-CG2 3.33Å; D781-T783 PolarHBondContact OD1-N 3.08Å; D781-T783 PolarHBondContact OD1-OG1 2.79Å
782R45.8Very low53.1Low201 Ų201107.3 Ų107.376%0.75859%0.591SS**  trans-86.1-0.7-178.5-73.4178.4175.4-174.6-1.7112.9L780L780-R782 HydrophobicContact CB-CG 4.5Å; L780-R782 PolarHBondContact O-N 3.5Å
783T50.2Low55.6Low109 Ų109104.5 Ų104.567%0.66957%0.569SS**SBendtrans-79.7-36.4-159.663.90000114.9D781D781-T783 VanDerWaalsContact C-N 3.32Å; D781-T783 VanDerWaalsContact OD1-CB 3.32Å; D781-T783 WeakPolarHBondContact OD1-CB 3.27Å; D781-T783 WeakPolarHBondContact OD1-CG2 3.33Å; D781-T783 PolarHBondContact OD1-N 3.08Å; D781-T783 PolarHBondContact OD1-OG1 2.79Å
784K56Low57.6Low170 Ų170103.2 Ų103.274%0.73955%0.552SS**  trans-143.9112.7-179-64.3-171.9-179.3-178.60113.4
785V62.8Low59.8Low40 Ų4094.9 Ų94.924%0.24251%0.509CS..  trans-73.7140161.7-177.30000108.7L818 A826 V827V785-L818 HydrophobicContact CB-CD1 4.05Å; V785-L818 HydrophobicContact CB-CD2 3.92Å; V785-L818 HydrophobicContact CG1-CD1 4.49Å; V785-L818 HydrophobicContact CG1-CD2 3.98Å; V785-L818 HydrophobicContact CG2-CD1 3.79Å; V785-A826 HydrophobicContact CG1-CB 4.22Å; V785-A826 HydrophobicContact CG2-CB 4.43Å; V785-V827 HydrophobicContact CG2-CG2 3.78Å
786K67.1Low61.8Low136 Ų13692.1 Ų92.159%0.59148%0.484SS*.  trans-109.8131-174.6-60.8-176.6-179-176.50109.8Y788K786-Y788 HydrophobicContact CB-CE1 4.35Å; K786-Y788 HydrophobicContact CB-CE2 4.15Å; K786-Y788 VanDerWaalsContact O-CD2 3.23Å; K786-Y788 WeakPolarHBondContact O-CD2 3.4Å; K786-Y788 WeakPolarHBondContact O-CE2 3.47Å; K786-Y788 PolarHBondContact O-N 2.98Å
787D72.8Confident63.8Low90 Ų9093.9 Ų93.948%0.48148%0.481SS..  trans-76.3112.9177.9-113.6-1.8000110K815D787-K815 IonicContact OD1-NZ 3.11Å; D787-K815 IonicContact OD2-NZ 3.95Å; D787-K815 PolarHBondContact OD2-NZ 3.41Å
788Y80.3Confident65.9Low51 Ų5186.9 Ų86.920%0.244%0.444CS..  trans-94.78.8177.8-62.2-69.5000113.2K786 L790 L791 S792 S811 G830 K834K786-Y788 HydrophobicContact CB-CE1 4.35Å; K786-Y788 HydrophobicContact CB-CE2 4.15Å; K786-Y788 VanDerWaalsContact O-CD2 3.23Å; K786-Y788 WeakPolarHBondContact O-CD2 3.4Å; K786-Y788 WeakPolarHBondContact O-CE2 3.47Å; K786-Y788 PolarHBondContact O-N 2.98Å; Y788-L790 PolarHBondContact O-N 2.93Å; Y788-L791 WeakPolarHBondContact O-CB 3.46Å; Y788-L791 PolarHBondContact O-N 3.11Å; Y788-S792 PolarHBondContact O-N 3.11Å; Y788-S792 PolarHBondContact O-OG 2.77Å; Y788-S811 VanDerWaalsContact C-OG 3.29Å; Y788-G830 VanDerWaalsContact CD2-O 3.22Å; Y788-G830 WeakPolarHBondContact CD2-O 3.16Å; Y788-G830 WeakPolarHBondContact CE2-O 3.27Å; Y788-K834 HydrophobicContact CD1-CB 3.91Å; Y788-K834 HydrophobicContact CD1-CD 4.3Å; Y788-K834 HydrophobicContact CD1-CG 3.85Å; Y788-K834 HydrophobicContact CD2-CB 4.35Å; Y788-K834 HydrophobicContact CE1-CB 3.99Å; Y788-K834 HydrophobicContact CE1-CD 3.68Å; Y788-K834 HydrophobicContact CE1-CG 3.75Å; Y788-K834 HydrophobicContact CE2-CB 4.41Å; Y788-K834 HydrophobicContact CG-CB 4.1Å
789L80.4Confident67.2Low60 Ų6085.5 Ų85.531%0.31444%0.435SS..Hα-helixtrans-59.9-46.7-174.4-174.965000111.9L791 S792 V793 F808 S811 I812L789-L791 VanDerWaalsContact C-N 3.33Å; L789-L791 PolarHBondContact O-N 3.27Å; L789-S792 PolarHBondContact O-N 3.05Å; L789-S792 VanDerWaalsContact O-N 3.14Å; L789-V793 WeakPolarHBondContact O-CG2 3.41Å; L789-V793 PolarHBondContact O-N 3.28Å; L789-F808 HydrophobicContact CD1-CD2 4.13Å; L789-F808 HydrophobicContact CD1-CE2 3.67Å; L789-S811 WeakPolarHBondContact CA-OG 3.5Å; L789-S811 PolarHBondContact N-OG 2.97Å; L789-S811 VanDerWaalsContact N-OG 3.16Å; L789-I812 HydrophobicContact CD1-CG1 4.26Å
790L79.9Confident68.7Low129 Ų12980.9 Ų80.968%0.67541%0.405SS*.Hα-helixtrans-59.6-42.1177.7-178.962.9000112.1Y788 S792 V793 L794Y788-L790 PolarHBondContact O-N 2.93Å; L790-S792 VanDerWaalsContact C-N 3.3Å; L790-S792 PolarHBondContact O-N 3.35Å; L790-V793 PolarHBondContact O-N 2.87Å; L790-L794 HydrophobicContact CG-CD1 4.32Å; L790-L794 WeakPolarHBondContact O-CG 3.38Å; L790-L794 PolarHBondContact O-N 3.44Å
791L80.4Confident69.6Low43 Ų4385.5 Ų85.523%0.22542%0.417CS..Hα-helixtrans-65.3-35.9177.7-169.767.5000111.9Y788 L789 A795 K834 M838 L841Y788-L791 WeakPolarHBondContact O-CB 3.46Å; Y788-L791 PolarHBondContact O-N 3.11Å; L789-L791 VanDerWaalsContact C-N 3.33Å; L789-L791 PolarHBondContact O-N 3.27Å; L791-A795 WeakPolarHBondContact O-CB 3.39Å; L791-A795 PolarHBondContact O-N 3.13Å; L791-K834 HydrophobicContact CD2-CG 4.01Å; L791-M838 HydrophobicContact CD1-CE 3.96Å; L791-M838 HydrophobicContact CD2-CE 4.31Å; L791-M838 HydrophobicContact CD2-CG 4.19Å; L791-M838 HydrophobicContact CD2-SD 4.27Å; L791-L841 HydrophobicContact CD1-CD1 3.71Å; L791-L841 HydrophobicContact CG-CD1 4.25Å
792S79.8Confident70.4Confident0 Ų084.6 Ų84.60%042%0.418CS..Hα-helixtrans-75.7-33.5178.8-47.30000112.2Y788 L789 L790 C796 S811 S837Y788-S792 PolarHBondContact O-N 3.11Å; Y788-S792 PolarHBondContact O-OG 2.77Å; L789-S792 PolarHBondContact O-N 3.05Å; L789-S792 VanDerWaalsContact O-N 3.14Å; L790-S792 VanDerWaalsContact C-N 3.3Å; L790-S792 PolarHBondContact O-N 3.35Å; S792-C796 PolarHBondContact O-N 3.28Å; S792-C796 PolarHBondContact O-SG 3.05Å; S792-S811 WeakPolarHBondContact OG-CB 3.42Å; S792-S837 WeakPolarHBondContact CA-OG 3.47Å; S792-S837 PolarHBondContact OG-OG 3.11Å; S792-S837 VanDerWaalsContact OG-OG 3.09Å
793V82.4Confident71.2Confident56 Ų5679.5 Ų79.534%0.33940%0.404SS..Hα-helixtrans-66-47.3171.5169.30000110.4L789 L790 A795 C796 F797 F808L789-V793 WeakPolarHBondContact O-CG2 3.41Å; L789-V793 PolarHBondContact O-N 3.28Å; L790-V793 PolarHBondContact O-N 2.87Å; V793-A795 VanDerWaalsContact C-N 3.29Å; V793-A795 PolarHBondContact O-N 3.27Å; V793-C796 WeakPolarHBondContact O-CB 3.49Å; V793-C796 PolarHBondContact O-N 3.28Å; V793-F797 HydrophobicContact CG1-CE2 4.07Å; V793-F797 VanDerWaalsContact O-CD2 3.28Å; V793-F797 WeakPolarHBondContact O-CD2 3.08Å; V793-F808 HydrophobicContact CG2-CD2 4.15Å; V793-F808 HydrophobicContact CG2-CE2 3.72Å
794L79.1Confident71.9Confident93 Ų9374.4 Ų74.449%0.48737%0.373SS..Hα-helixtrans-58.8-40.9175.4-71.1169.2000111.9L790 C796 F797L790-L794 HydrophobicContact CG-CD1 4.32Å; L790-L794 WeakPolarHBondContact O-CG 3.38Å; L790-L794 PolarHBondContact O-N 3.44Å; L794-C796 VanDerWaalsContact C-N 3.26Å; L794-C796 PolarHBondContact O-N 2.95Å; L794-F797 PolarHBondContact O-N 3.44Å
795A78.6Confident72.9Confident0 Ų070.2 Ų70.20%036%0.358CS..Hα-helixtrans-60-31.6174.100000113.5L791 V793 F797 C798 N804 S840 L841L791-A795 WeakPolarHBondContact O-CB 3.39Å; L791-A795 PolarHBondContact O-N 3.13Å; V793-A795 VanDerWaalsContact C-N 3.29Å; V793-A795 PolarHBondContact O-N 3.27Å; A795-F797 PolarHBondContact O-N 3.35Å; A795-C798 WeakPolarHBondContact O-CB 3.29Å; A795-C798 PolarHBondContact O-N 3.17Å; A795-C798 VanDerWaalsContact O-N 3.13Å; A795-N804 PolarHBondContact O-ND2 3.17Å; A795-S840 WeakPolarHBondContact CB-OG 3.35Å; A795-S840 PolarHBondContact O-OG 2.9Å; A795-L841 HydrophobicContact CB-CD1 4.31Å; A795-L841 HydrophobicContact CB-CG 4.07Å
796C77.9Confident73.8Confident28 Ų2871.4 Ų71.419%0.18937%0.365CS..THydrogen-bonded Turntrans-68.8-13.8178.4-67.30000114.3S792 V793 L794S792-C796 PolarHBondContact O-N 3.28Å; S792-C796 PolarHBondContact O-SG 3.05Å; V793-C796 WeakPolarHBondContact O-CB 3.49Å; V793-C796 PolarHBondContact O-N 3.28Å; L794-C796 VanDerWaalsContact C-N 3.26Å; L794-C796 PolarHBondContact O-N 2.95Å
797F78.3Confident74.6Confident173 Ų17365 Ų6576%0.75934%0.337SS*.THydrogen-bonded Turntrans-88-4.8173.1-66.7-82.8000113.7V793 L794 A795V793-F797 HydrophobicContact CG1-CE2 4.07Å; V793-F797 VanDerWaalsContact O-CD2 3.28Å; V793-F797 WeakPolarHBondContact O-CD2 3.08Å; L794-F797 PolarHBondContact O-N 3.44Å; A795-F797 PolarHBondContact O-N 3.35Å
798C75.8Confident75.1Confident13 Ų1363.9 Ų63.99%0.08833%0.328CS..SBendtrans-76.7148.3171.6-69.10000111.6A795 V800 N804A795-C798 WeakPolarHBondContact O-CB 3.29Å; A795-C798 PolarHBondContact O-N 3.17Å; A795-C798 VanDerWaalsContact O-N 3.13Å; C798-V800 PolarHBondContact O-N 3.41Å; C798-N804 PolarHBondContact O-ND2 3.11Å; C798-N804 VanDerWaalsContact O-ND2 3.09Å
799P65.9Low75.4Confident74 Ų7464.6 Ų64.648%0.48134%0.338SS..SBendtrans-67.24.2-173.426.4-36.2000116.2W801 I847 I848P799-W801 PolarHBondContact O-N 2.87Å; P799-I847 HydrophobicContact CG-CB 4.25Å; P799-I847 HydrophobicContact CG-CG2 3.87Å; P799-I848 HydrophobicContact CG-CG1 4.17Å
800V65.6Low75.8Confident33 Ų3365.7 Ų65.720%0.234%0.339CS..  trans-93.637.1-179.5-157.60000111.5C798 P802 I803 N804 I847C798-V800 PolarHBondContact O-N 3.41Å; V800-P802 WeakPolarHBondContact O-CD 3.35Å; V800-I803 HydrophobicContact CG1-CB 4.2Å; V800-I803 HydrophobicContact CG1-CD1 3.84Å; V800-I803 HydrophobicContact CG1-CG1 4.14Å; V800-I803 PolarHBondContact O-N 3.43Å; V800-N804 VanDerWaalsContact O-CG 3.25Å; V800-N804 PolarHBondContact O-ND2 3.39Å; V800-N804 PolarHBondContact O-OD1 3.12Å; V800-I847 HydrophobicContact CG2-CD1 3.72Å
801W57.9Low76.2Confident176 Ų17659.7 Ų59.767%0.66731%0.307SS*.Hα-helixtrans-45.5-43-159.4-155.552.7000116.5P799 I803 N804P799-W801 PolarHBondContact O-N 2.87Å; W801-I803 VanDerWaalsContact C-N 3.34Å; W801-I803 PolarHBondContact O-N 3.24Å; W801-N804 PolarHBondContact O-N 3.34Å
802P61Low76.5Confident102 Ų10260.8 Ų60.866%0.66231%0.313SS*.Hα-helixtrans-63.1-32.8-179.3-23.335.3000114.8V800V800-P802 WeakPolarHBondContact O-CD 3.35Å
803I63.1Low76.8Confident94 Ų9465 Ų6548%0.48233%0.333SS..Hα-helixtrans-79.1-31.2-178.2-59.5-176000110.5V800 W801 I805 V806V800-I803 HydrophobicContact CG1-CB 4.2Å; V800-I803 HydrophobicContact CG1-CD1 3.84Å; V800-I803 HydrophobicContact CG1-CG1 4.14Å; V800-I803 PolarHBondContact O-N 3.43Å; W801-I803 VanDerWaalsContact C-N 3.34Å; W801-I803 PolarHBondContact O-N 3.24Å; I803-I805 VanDerWaalsContact C-N 3.35Å; I803-I805 PolarHBondContact O-N 2.99Å; I803-V806 WeakPolarHBondContact O-CB 3.38Å; I803-V806 WeakPolarHBondContact O-CG2 3.39Å; I803-V806 PolarHBondContact O-N 3.06Å; I803-V806 VanDerWaalsContact O-N 3.09Å
804N65.4Low77.1Confident2 Ų262.5 Ų62.51%0.01132%0.319CS..Hα-helixtrans-72.9-32.7-167.9-53.4-6.2000111.3A795 C798 V800 W801 V806 G807 F808 S840A795-N804 PolarHBondContact O-ND2 3.17Å; C798-N804 PolarHBondContact O-ND2 3.11Å; C798-N804 VanDerWaalsContact O-ND2 3.09Å; V800-N804 VanDerWaalsContact O-CG 3.25Å; V800-N804 PolarHBondContact O-ND2 3.39Å; V800-N804 PolarHBondContact O-OD1 3.12Å; W801-N804 PolarHBondContact O-N 3.34Å; N804-V806 PolarHBondContact O-N 3.36Å; N804-G807 PolarHBondContact O-N 2.74Å; N804-F808 PolarHBondContact O-N 3.43Å; N804-S840 PolarHBondContact ND2-OG 2.95Å; N804-S840 VanDerWaalsContact OD1-CB 3.28Å; N804-S840 WeakPolarHBondContact OD1-CB 3.17Å; N804-S840 PolarHBondContact OD1-OG 3.24Å
805I77.1Confident77.3Confident82 Ų8261.4 Ų61.442%0.42131%0.31SS..Hα-helixtrans-55.1-36.1171.1-65.4164.2000111.4I803 F808 V809I803-I805 VanDerWaalsContact C-N 3.35Å; I803-I805 PolarHBondContact O-N 2.99Å; I805-F808 PolarHBondContact O-N 2.85Å; I805-V809 HydrophobicContact CG2-CG2 4.28Å; I805-V809 WeakPolarHBondContact O-CG2 3.41Å; I805-V809 PolarHBondContact O-N 3.09Å
806V80.6Confident77.5Confident65 Ų6563 Ų6339%0.39432%0.318SS..Hα-helixtrans-65.8-43.6-179.4-169.30000110.8I803 N804 F808 V809 Y810 L836I803-V806 WeakPolarHBondContact O-CB 3.38Å; I803-V806 WeakPolarHBondContact O-CG2 3.39Å; I803-V806 PolarHBondContact O-N 3.06Å; I803-V806 VanDerWaalsContact O-N 3.09Å; N804-V806 PolarHBondContact O-N 3.36Å; V806-F808 VanDerWaalsContact C-N 3.34Å; V806-F808 PolarHBondContact O-N 3.24Å; V806-V809 PolarHBondContact O-N 3.41Å; V806-Y810 HydrophobicContact CG1-CD2 3.91Å; V806-Y810 HydrophobicContact CG1-CE2 3.82Å; V806-Y810 VanDerWaalsContact O-CD2 3.29Å; V806-Y810 WeakPolarHBondContact O-CD2 3.33Å; V806-Y810 PolarHBondContact O-N 3.48Å; V806-L836 HydrophobicContact CB-CD1 4.38Å; V806-L836 HydrophobicContact CG1-CD1 3.9Å
807G83.3Confident77.8Confident1 Ų162 Ų621%0.0131%0.312CS..Hα-helixtrans-60.8-42.1174.800000112.8N804 Y810 S811N804-G807 PolarHBondContact O-N 2.74Å; G807-Y810 PolarHBondContact O-N 3.33Å; G807-S811 PolarHBondContact O-N 2.88Å
808F84.6Confident78Confident66 Ų6656.8 Ų56.829%0.28929%0.292SS..Hα-helixtrans-63.4-45.5175.4-179-106.7000112.8L789 V793 N804 I805 V806 Y810 S811 I812L789-F808 HydrophobicContact CD1-CD2 4.13Å; L789-F808 HydrophobicContact CD1-CE2 3.67Å; V793-F808 HydrophobicContact CG2-CD2 4.15Å; V793-F808 HydrophobicContact CG2-CE2 3.72Å; N804-F808 PolarHBondContact O-N 3.43Å; I805-F808 PolarHBondContact O-N 2.85Å; V806-F808 VanDerWaalsContact C-N 3.34Å; V806-F808 PolarHBondContact O-N 3.24Å; F808-Y810 PolarHBondContact O-N 2.86Å; F808-S811 WeakPolarHBondContact O-CB 3.45Å; F808-S811 PolarHBondContact O-N 3.38Å; F808-S811 VanDerWaalsContact O-N 3.11Å; F808-I812 HydrophobicContact CD1-CD1 3.97Å; F808-I812 HydrophobicContact CE1-CD1 3.47Å; F808-I812 VanDerWaalsContact CE1-CD1 3.47Å; F808-I812 HydrophobicContact CE2-CD1 4.29Å; F808-I812 HydrophobicContact CZ-CD1 3.67Å; F808-I812 PolarHBondContact O-N 3.33Å
809V86.5Confident78Confident67 Ų6760.6 Ų60.641%0.40631%0.308SS..Hα-helixtrans-59.7-45.6174.3169.30000111I805 V806 S811 I812 M813I805-V809 HydrophobicContact CG2-CG2 4.28Å; I805-V809 WeakPolarHBondContact O-CG2 3.41Å; I805-V809 PolarHBondContact O-N 3.09Å; V806-V809 PolarHBondContact O-N 3.41Å; V809-S811 VanDerWaalsContact C-N 3.29Å; V809-S811 PolarHBondContact O-N 2.93Å; V809-I812 PolarHBondContact O-N 3.27Å; V809-M813 HydrophobicContact CG1-CG 4.38Å; V809-M813 HydrophobicContact CG1-SD 3.99Å; V809-M813 WeakPolarHBondContact O-CG 3.47Å; V809-M813 PolarHBondContact O-N 3.26Å
810Y89.4Confident78.4Confident83 Ų8364.1 Ų64.133%0.32532%0.318SS..Hα-helixtrans-62.7-32.8174.8-85.1-72000113V806 G807 F808 M813 S814 L829 V832 L836V806-Y810 HydrophobicContact CG1-CD2 3.91Å; V806-Y810 HydrophobicContact CG1-CE2 3.82Å; V806-Y810 VanDerWaalsContact O-CD2 3.29Å; V806-Y810 WeakPolarHBondContact O-CD2 3.33Å; V806-Y810 PolarHBondContact O-N 3.48Å; G807-Y810 PolarHBondContact O-N 3.33Å; F808-Y810 PolarHBondContact O-N 2.86Å; Y810-M813 PolarHBondContact O-N 2.72Å; Y810-S814 VanDerWaalsContact O-CB 3.31Å; Y810-S814 WeakPolarHBondContact O-CB 3.35Å; Y810-S814 PolarHBondContact O-N 2.94Å; Y810-L829 HydrophobicContact CD1-CD2 3.68Å; Y810-L829 HydrophobicContact CE1-CD2 3.83Å; Y810-V832 HydrophobicContact CD1-CB 4.23Å; Y810-V832 HydrophobicContact CD1-CG1 3.86Å; Y810-V832 HydrophobicContact CD2-CG1 3.8Å; Y810-V832 HydrophobicContact CE1-CG1 4.09Å; Y810-V832 HydrophobicContact CE2-CG1 4.04Å; Y810-V832 HydrophobicContact CG-CB 4.34Å; Y810-V832 HydrophobicContact CG-CG1 3.72Å; Y810-L836 HydrophobicContact CD2-CD1 3.64Å; Y810-L836 HydrophobicContact CE2-CD1 4.15Å
811S87.9Confident78.9Confident2 Ų265 Ų651%0.01433%0.334CS..Hα-helixtrans-68.3-38.5174.6-165.60000112Y788 L789 S792 G807 F808 V809 S814 K815 A833Y788-S811 VanDerWaalsContact C-OG 3.29Å; L789-S811 WeakPolarHBondContact CA-OG 3.5Å; L789-S811 PolarHBondContact N-OG 2.97Å; L789-S811 VanDerWaalsContact N-OG 3.16Å; S792-S811 WeakPolarHBondContact OG-CB 3.42Å; G807-S811 PolarHBondContact O-N 2.88Å; F808-S811 WeakPolarHBondContact O-CB 3.45Å; F808-S811 PolarHBondContact O-N 3.38Å; F808-S811 VanDerWaalsContact O-N 3.11Å; V809-S811 VanDerWaalsContact C-N 3.29Å; V809-S811 PolarHBondContact O-N 2.93Å; S811-S814 WeakPolarHBondContact O-CB 3.31Å; S811-S814 PolarHBondContact O-N 3.1Å; S811-K815 PolarHBondContact O-N 2.94Å; S811-K815 VanDerWaalsContact O-N 3.1Å; S811-A833 VanDerWaalsContact N-CB 3.34Å
812I87Confident80.1Confident67 Ų6760.7 Ų60.734%0.34432%0.324SS..Hα-helixtrans-68.1-41.1174.3-69.8173.8000110.6L789 F808 V809 K815 N816L789-I812 HydrophobicContact CD1-CG1 4.26Å; F808-I812 HydrophobicContact CD1-CD1 3.97Å; F808-I812 HydrophobicContact CE1-CD1 3.47Å; F808-I812 VanDerWaalsContact CE1-CD1 3.47Å; F808-I812 HydrophobicContact CE2-CD1 4.29Å; F808-I812 HydrophobicContact CZ-CD1 3.67Å; F808-I812 PolarHBondContact O-N 3.33Å; V809-I812 PolarHBondContact O-N 3.27Å; I812-K815 PolarHBondContact O-N 2.89Å; I812-N816 VanDerWaalsContact CG2-ND2 3.34Å; I812-N816 WeakPolarHBondContact CG2-ND2 3.45Å; I812-N816 WeakPolarHBondContact O-CB 3.49Å; I812-N816 PolarHBondContact O-N 3.04Å; I812-N816 PolarHBondContact O-ND2 3.08Å
813M85.8Confident80.9Confident88 Ų8859.5 Ų59.543%0.43331%0.312SS..Hα-helixtrans-64.6-38.7175-69.2178.671.200112.1V809 Y810 K815 S817 L829V809-M813 HydrophobicContact CG1-CG 4.38Å; V809-M813 HydrophobicContact CG1-SD 3.99Å; V809-M813 WeakPolarHBondContact O-CG 3.47Å; V809-M813 PolarHBondContact O-N 3.26Å; Y810-M813 PolarHBondContact O-N 2.72Å; M813-K815 PolarHBondContact O-N 3.34Å; M813-S817 WeakPolarHBondContact O-CB 3.29Å; M813-S817 PolarHBondContact O-N 3.2Å; M813-L829 HydrophobicContact CB-CD1 4.15Å; M813-L829 HydrophobicContact CB-CD2 4.42Å; M813-L829 HydrophobicContact CE-CD2 4.5Å
814S88.7Confident81.6Confident4 Ų457.8 Ų57.83%0.02830%0.304CS..Hα-helixtrans-56.7-48.1172.2179.30000111.9Y810 S811 S817 L818 A826 G830Y810-S814 VanDerWaalsContact O-CB 3.31Å; Y810-S814 WeakPolarHBondContact O-CB 3.35Å; Y810-S814 PolarHBondContact O-N 2.94Å; S811-S814 WeakPolarHBondContact O-CB 3.31Å; S811-S814 PolarHBondContact O-N 3.1Å; S814-S817 PolarHBondContact O-N 2.72Å; S814-L818 PolarHBondContact O-N 3.22Å; S814-L818 VanDerWaalsContact O-N 3.09Å; S814-A826 WeakPolarHBondContact O-CB 3.48Å; S814-A826 PolarHBondContact OG-O 3.48Å; S814-G830 WeakPolarHBondContact OG-CA 3.34Å; S814-G830 PolarHBondContact OG-N 3.22Å
815K83.9Confident82.5Confident69 Ų6958.3 Ų58.330%0.331%0.309SS..Hα-helixtrans-67.7-45.6-179.7-173.1159.9-170.5155.40112.2D787 S811 I812 M813 S817 L818 E819D787-K815 IonicContact OD1-NZ 3.11Å; D787-K815 IonicContact OD2-NZ 3.95Å; D787-K815 PolarHBondContact OD2-NZ 3.41Å; S811-K815 PolarHBondContact O-N 2.94Å; S811-K815 VanDerWaalsContact O-N 3.1Å; I812-K815 PolarHBondContact O-N 2.89Å; M813-K815 PolarHBondContact O-N 3.34Å; K815-S817 VanDerWaalsContact C-N 3.29Å; K815-S817 PolarHBondContact O-N 2.9Å; K815-L818 WeakPolarHBondContact O-CB 3.48Å; K815-L818 PolarHBondContact O-N 3.14Å; K815-L818 VanDerWaalsContact O-N 3.09Å; K815-E819 WeakPolarHBondContact CE-OE1 3.39Å; K815-E819 VanDerWaalsContact CG-OE1 3.3Å; K815-E819 WeakPolarHBondContact CG-OE1 3.2Å; K815-E819 WeakPolarHBondContact O-CG 3.28Å; K815-E819 PolarHBondContact O-N 3.47Å
816N82.5Confident82.8Confident33 Ų3354.4 Ų54.418%0.17629%0.289CS..Hα-helixtrans-56.7-40.3172.1-81.3-77.3000112.4R255 I812 L818 E819 Q820R255-N816 PolarHBondContact NE-OD1 3.24Å; R255-N816 PolarHBondContact NH2-OD1 3.15Å; I812-N816 VanDerWaalsContact CG2-ND2 3.34Å; I812-N816 WeakPolarHBondContact CG2-ND2 3.45Å; I812-N816 WeakPolarHBondContact O-CB 3.49Å; I812-N816 PolarHBondContact O-N 3.04Å; I812-N816 PolarHBondContact O-ND2 3.08Å; N816-L818 VanDerWaalsContact C-N 3.34Å; N816-E819 PolarHBondContact O-N 3.12Å; N816-Q820 WeakPolarHBondContact O-CB 3.34Å; N816-Q820 VanDerWaalsContact O-CG 3.27Å; N816-Q820 WeakPolarHBondContact O-CG 3.47Å; N816-Q820 PolarHBondContact O-N 3.21Å
817S84.1Confident82.9Confident9 Ų952.8 Ų52.86%0.06328%0.28CS..Hα-helixtrans-68.2-32.4177.7-174.10000112.6M813 S814 K815 N822 G825 A826M813-S817 WeakPolarHBondContact O-CB 3.29Å; M813-S817 PolarHBondContact O-N 3.2Å; S814-S817 PolarHBondContact O-N 2.72Å; K815-S817 VanDerWaalsContact C-N 3.29Å; K815-S817 PolarHBondContact O-N 2.9Å; S817-N822 CarbonylContact O-C 3.59Å; S817-N822 WeakPolarHBondContact O-CA 3.49Å; S817-N822 PolarHBondContact O-N 2.68Å; S817-N822 PolarHBondContact OG-O 3.31Å; S817-G825 VanDerWaalsContact OG-C 3.29Å; S817-G825 WeakPolarHBondContact OG-CA 3.07Å; S817-A826 PolarHBondContact OG-N 3.01Å; S817-A826 VanDerWaalsContact OG-N 3.09Å
818L81.8Confident83.1Confident63 Ų6360.5 Ų60.533%0.3331%0.309SS..Hα-helixtrans-68.3-46.4174-179.760.6000110.8V785 S814 K815 N816 Q820 G821 L823 A826V785-L818 HydrophobicContact CB-CD1 4.05Å; V785-L818 HydrophobicContact CB-CD2 3.92Å; V785-L818 HydrophobicContact CG1-CD1 4.49Å; V785-L818 HydrophobicContact CG1-CD2 3.98Å; V785-L818 HydrophobicContact CG2-CD1 3.79Å; S814-L818 PolarHBondContact O-N 3.22Å; S814-L818 VanDerWaalsContact O-N 3.09Å; K815-L818 WeakPolarHBondContact O-CB 3.48Å; K815-L818 PolarHBondContact O-N 3.14Å; K815-L818 VanDerWaalsContact O-N 3.09Å; N816-L818 VanDerWaalsContact C-N 3.34Å; L818-Q820 VanDerWaalsContact C-N 3.25Å; L818-Q820 PolarHBondContact O-N 2.96Å; L818-G821 WeakPolarHBondContact O-CA 3.37Å; L818-G821 PolarHBondContact O-N 3.09Å; L818-L823 HydrophobicContact CD1-CG 4.22Å; L818-A826 HydrophobicContact CB-CB 3.78Å; L818-A826 HydrophobicContact CD1-CB 4.45Å
819E76.4Confident83.3Confident93 Ų9359.2 Ų59.244%0.43530%0.304SS..Hα-helixtrans-64.4-28.4178.8-73.2167.8-169.800112.7L264 K815 N816 G821L264-E819 HydrophobicContact CD2-CB 3.99Å; L264-E819 HydrophobicContact CD2-CG 4.18Å; K815-E819 WeakPolarHBondContact CE-OE1 3.39Å; K815-E819 VanDerWaalsContact CG-OE1 3.3Å; K815-E819 WeakPolarHBondContact CG-OE1 3.2Å; K815-E819 WeakPolarHBondContact O-CG 3.28Å; K815-E819 PolarHBondContact O-N 3.47Å; N816-E819 PolarHBondContact O-N 3.12Å; E819-G821 PolarHBondContact O-N 3.3Å
820Q73.4Confident83.3Confident147 Ų14756 Ų5669%0.68729%0.286SS*.THydrogen-bonded Turntrans-77.2-1.6169.6-72.7175.20.200114N816 L818 N822N816-Q820 WeakPolarHBondContact O-CB 3.34Å; N816-Q820 VanDerWaalsContact O-CG 3.27Å; N816-Q820 WeakPolarHBondContact O-CG 3.47Å; N816-Q820 PolarHBondContact O-N 3.21Å; L818-Q820 VanDerWaalsContact C-N 3.25Å; L818-Q820 PolarHBondContact O-N 2.96Å; Q820-N822 VanDerWaalsContact C-N 3.29Å; Q820-N822 PolarHBondContact O-N 3.48Å
821G76.3Confident83.1Confident53 Ų5358.9 Ų58.955%0.54630%0.296SS..THydrogen-bonded Turntrans79.62.2-178.300000114.9L818 E819 L823L818-G821 WeakPolarHBondContact O-CA 3.37Å; L818-G821 PolarHBondContact O-N 3.09Å; E819-G821 PolarHBondContact O-N 3.3Å; G821-L823 PolarHBondContact O-N 3.17Å; G821-L823 VanDerWaalsContact O-N 3.14Å
822N82.9Confident83.1Confident85 Ų8561.7 Ų61.746%0.45531%0.312SS..  trans-86.579.5176.4-177.42.4000110.4S817 Q820 D824 G825 A826S817-N822 CarbonylContact O-C 3.59Å; S817-N822 WeakPolarHBondContact O-CA 3.49Å; S817-N822 PolarHBondContact O-N 2.68Å; S817-N822 PolarHBondContact OG-O 3.31Å; Q820-N822 VanDerWaalsContact C-N 3.29Å; Q820-N822 PolarHBondContact O-N 3.48Å; N822-D824 VanDerWaalsContact C-N 3.3Å; N822-D824 PolarHBondContact O-N 2.95Å; N822-G825 PolarHBondContact O-N 3.5Å; N822-G825 PolarHBondContact OD1-N 3.38Å; N822-A826 WeakPolarHBondContact O-CB 3.46Å; N822-A826 PolarHBondContact O-N 3.26Å
823L79Confident83.2Confident77 Ų7758.5 Ų58.540%0.40330%0.296SS..Hα-helixtrans-58.2-37.9179.8-86.685.6000113L818 G821 A826 V827L818-L823 HydrophobicContact CD1-CG 4.22Å; G821-L823 PolarHBondContact O-N 3.17Å; G821-L823 VanDerWaalsContact O-N 3.14Å; L823-A826 PolarHBondContact O-N 3.12Å; L823-V827 WeakPolarHBondContact O-CB 3.34Å; L823-V827 VanDerWaalsContact O-CG2 3.29Å; L823-V827 WeakPolarHBondContact O-CG2 3.26Å; L823-V827 PolarHBondContact O-N 3.34Å
824D77.9Confident83.3Confident57 Ų5758.7 Ų58.731%0.30529%0.294SS..Hα-helixtrans-71.8-40-178.2-167.253.9000111.4L780 N822 A826 V827 R828L780-D824 WeakPolarHBondContact CD1-OD1 3.3Å; N822-D824 VanDerWaalsContact C-N 3.3Å; N822-D824 PolarHBondContact O-N 2.95Å; D824-A826 VanDerWaalsContact C-N 3.34Å; D824-A826 PolarHBondContact O-N 3.05Å; D824-V827 PolarHBondContact O-N 3.24Å; D824-R828 WeakPolarHBondContact O-CB 3.37Å; D824-R828 VanDerWaalsContact O-CG 3.22Å; D824-R828 WeakPolarHBondContact O-CG 3.24Å; D824-R828 PolarHBondContact O-N 2.93Å; D824-R828 IonicContact OD1-NE 3.68Å; D824-R828 IonicContact OD2-CZ 2.72Å; D824-R828 IonicContact OD2-NE 3.83Å; D824-R828 PolarHBondContact OD2-NE 3.04Å; D824-R828 IonicContact OD2-NH2 2.68Å; D824-R828 PolarHBondContact OD2-NH2 3.15Å
825G82.6Confident83.3Confident13 Ų1365 Ų6513%0.13433%0.325CS..Hα-helixtrans-57.7-45.1168.400000112.2S817 N822 R828 L829S817-G825 VanDerWaalsContact OG-C 3.29Å; S817-G825 WeakPolarHBondContact OG-CA 3.07Å; N822-G825 PolarHBondContact O-N 3.5Å; N822-G825 PolarHBondContact OD1-N 3.38Å; G825-R828 PolarHBondContact O-N 2.93Å; G825-L829 WeakPolarHBondContact O-CB 3.44Å; G825-L829 WeakPolarHBondContact O-CD1 3.45Å; G825-L829 VanDerWaalsContact O-CG 3.24Å; G825-L829 WeakPolarHBondContact O-CG 3.43Å; G825-L829 PolarHBondContact O-N 3.27Å
826A83.9Confident83.4Confident0 Ų064.2 Ų64.20%032%0.324CS..Hα-helixtrans-62.8-47.6178.300000112.1V785 S814 S817 L818 N822 L823 D824 R828 L829 G830V785-A826 HydrophobicContact CG1-CB 4.22Å; V785-A826 HydrophobicContact CG2-CB 4.43Å; S814-A826 WeakPolarHBondContact O-CB 3.48Å; S814-A826 PolarHBondContact OG-O 3.48Å; S817-A826 PolarHBondContact OG-N 3.01Å; S817-A826 VanDerWaalsContact OG-N 3.09Å; L818-A826 HydrophobicContact CB-CB 3.78Å; L818-A826 HydrophobicContact CD1-CB 4.45Å; N822-A826 WeakPolarHBondContact O-CB 3.46Å; N822-A826 PolarHBondContact O-N 3.26Å; L823-A826 PolarHBondContact O-N 3.12Å; D824-A826 VanDerWaalsContact C-N 3.34Å; D824-A826 PolarHBondContact O-N 3.05Å; A826-R828 VanDerWaalsContact C-N 3.33Å; A826-R828 PolarHBondContact O-N 3.1Å; A826-L829 PolarHBondContact O-N 3.47Å; A826-G830 PolarHBondContact O-N 2.79Å
827V82.4Confident83.5Confident32 Ų3262.6 Ų62.619%0.19432%0.316CS..Hα-helixtrans-63.6-37.4178.6170.60000111.6V785 L823 D824 R831V785-V827 HydrophobicContact CG2-CG2 3.78Å; L823-V827 WeakPolarHBondContact O-CB 3.34Å; L823-V827 VanDerWaalsContact O-CG2 3.29Å; L823-V827 WeakPolarHBondContact O-CG2 3.26Å; L823-V827 PolarHBondContact O-N 3.34Å; D824-V827 PolarHBondContact O-N 3.24Å; V827-R831 VanDerWaalsContact CG1-NH2 3.35Å; V827-R831 WeakPolarHBondContact O-CD 3.45Å; V827-R831 VanDerWaalsContact O-CG 3.22Å; V827-R831 WeakPolarHBondContact O-CG 3.25Å; V827-R831 PolarHBondContact O-N 3.22Å
828R87.3Confident83.6Confident163 Ų16365.8 Ų65.862%0.61533%0.33SS*.Hα-helixtrans-66.9-54.8175-70.6171.8-166.9-126.28.5111.7D824 G825 A826 G830 R831 V832D824-R828 WeakPolarHBondContact O-CB 3.37Å; D824-R828 VanDerWaalsContact O-CG 3.22Å; D824-R828 WeakPolarHBondContact O-CG 3.24Å; D824-R828 PolarHBondContact O-N 2.93Å; D824-R828 IonicContact OD1-NE 3.68Å; D824-R828 IonicContact OD2-CZ 2.72Å; D824-R828 IonicContact OD2-NE 3.83Å; D824-R828 PolarHBondContact OD2-NE 3.04Å; D824-R828 IonicContact OD2-NH2 2.68Å; D824-R828 PolarHBondContact OD2-NH2 3.15Å; G825-R828 PolarHBondContact O-N 2.93Å; A826-R828 VanDerWaalsContact C-N 3.33Å; A826-R828 PolarHBondContact O-N 3.1Å; R828-G830 VanDerWaalsContact C-N 3.33Å; R828-G830 PolarHBondContact O-N 3.26Å; R828-R831 PolarHBondContact O-N 3.31Å; R828-V832 PolarHBondContact O-N 3.41Å
829L88.6Confident83.8Confident38 Ų3867.9 Ų67.920%0.19935%0.345CS..Hα-helixtrans-62.4-39.2-177.9-68164.2000111.6Y810 M813 G825 A826 R831 V832 A833Y810-L829 HydrophobicContact CD1-CD2 3.68Å; Y810-L829 HydrophobicContact CE1-CD2 3.83Å; M813-L829 HydrophobicContact CB-CD1 4.15Å; M813-L829 HydrophobicContact CB-CD2 4.42Å; M813-L829 HydrophobicContact CE-CD2 4.5Å; G825-L829 WeakPolarHBondContact O-CB 3.44Å; G825-L829 WeakPolarHBondContact O-CD1 3.45Å; G825-L829 VanDerWaalsContact O-CG 3.24Å; G825-L829 WeakPolarHBondContact O-CG 3.43Å; G825-L829 PolarHBondContact O-N 3.27Å; A826-L829 PolarHBondContact O-N 3.47Å; L829-R831 PolarHBondContact O-N 3.42Å; L829-V832 PolarHBondContact O-N 3.14Å; L829-A833 WeakPolarHBondContact O-CB 3.1Å; L829-A833 PolarHBondContact O-N 3.1Å
830G87.8Confident84.1Confident1 Ų163.7 Ų63.71%0.0133%0.326CS..Hα-helixtrans-66.3-3317700000113.6Y788 S814 A826 R828 K834Y788-G830 VanDerWaalsContact CD2-O 3.22Å; Y788-G830 WeakPolarHBondContact CD2-O 3.16Å; Y788-G830 WeakPolarHBondContact CE2-O 3.27Å; S814-G830 WeakPolarHBondContact OG-CA 3.34Å; S814-G830 PolarHBondContact OG-N 3.22Å; A826-G830 PolarHBondContact O-N 2.79Å; R828-G830 VanDerWaalsContact C-N 3.33Å; R828-G830 PolarHBondContact O-N 3.26Å; G830-K834 WeakPolarHBondContact O-CB 3.41Å; G830-K834 PolarHBondContact O-N 2.95Å
831R85.6Confident84.6Confident143 Ų14358.5 Ų58.554%0.5430%0.303SS..Hα-helixtrans-65.8-42171.2-72.5169.8-166.6-170.16.7111.4V827 R828 L829 K834 M835V827-R831 VanDerWaalsContact CG1-NH2 3.35Å; V827-R831 WeakPolarHBondContact O-CD 3.45Å; V827-R831 VanDerWaalsContact O-CG 3.22Å; V827-R831 WeakPolarHBondContact O-CG 3.25Å; V827-R831 PolarHBondContact O-N 3.22Å; R828-R831 PolarHBondContact O-N 3.31Å; L829-R831 PolarHBondContact O-N 3.42Å; R831-K834 PolarHBondContact O-N 2.83Å; R831-M835 WeakPolarHBondContact O-CG 3.24Å; R831-M835 PolarHBondContact O-N 3.03Å
832V87.8Confident85Confident60 Ų6060.2 Ų60.236%0.36430%0.303SS..Hα-helixtrans-63.4-47.2175.7177.60000110.8Y810 R828 L829 K834 M835 L836Y810-V832 HydrophobicContact CD1-CB 4.23Å; Y810-V832 HydrophobicContact CD1-CG1 3.86Å; Y810-V832 HydrophobicContact CD2-CG1 3.8Å; Y810-V832 HydrophobicContact CE1-CG1 4.09Å; Y810-V832 HydrophobicContact CE2-CG1 4.04Å; Y810-V832 HydrophobicContact CG-CB 4.34Å; Y810-V832 HydrophobicContact CG-CG1 3.72Å; R828-V832 PolarHBondContact O-N 3.41Å; L829-V832 PolarHBondContact O-N 3.14Å; V832-K834 VanDerWaalsContact C-N 3.34Å; V832-K834 PolarHBondContact O-N 3.03Å; V832-M835 PolarHBondContact O-N 3.43Å; V832-L836 HydrophobicContact CG1-CD1 3.87Å; V832-L836 HydrophobicContact CG1-CG 4.38Å; V832-L836 WeakPolarHBondContact O-CG 3.45Å; V832-L836 PolarHBondContact O-N 3.09Å
833A88.4Confident85.1Confident0 Ų057.6 Ų57.60%030%0.296CS..Hα-helixtrans-55.1-47.6175.400000112.4S811 L829 S837S811-A833 VanDerWaalsContact N-CB 3.34Å; L829-A833 WeakPolarHBondContact O-CB 3.1Å; L829-A833 PolarHBondContact O-N 3.1Å; A833-S837 VanDerWaalsContact O-CB 3.31Å; A833-S837 WeakPolarHBondContact O-CB 3.29Å; A833-S837 PolarHBondContact O-N 2.79Å; A833-S837 PolarHBondContact O-OG 2.94Å
834K88.6Confident85.3Confident92 Ų9254 Ų5440%0.428%0.277SS..Hα-helixtrans-61.9-45.6177-167.6-161.7177.8-169.50111.8Y788 L791 G830 R831 V832 M838Y788-K834 HydrophobicContact CD1-CB 3.91Å; Y788-K834 HydrophobicContact CD1-CD 4.3Å; Y788-K834 HydrophobicContact CD1-CG 3.85Å; Y788-K834 HydrophobicContact CD2-CB 4.35Å; Y788-K834 HydrophobicContact CE1-CB 3.99Å; Y788-K834 HydrophobicContact CE1-CD 3.68Å; Y788-K834 HydrophobicContact CE1-CG 3.75Å; Y788-K834 HydrophobicContact CE2-CB 4.41Å; Y788-K834 HydrophobicContact CG-CB 4.1Å; L791-K834 HydrophobicContact CD2-CG 4.01Å; G830-K834 WeakPolarHBondContact O-CB 3.41Å; G830-K834 PolarHBondContact O-N 2.95Å; R831-K834 PolarHBondContact O-N 2.83Å; V832-K834 VanDerWaalsContact C-N 3.34Å; V832-K834 PolarHBondContact O-N 3.03Å; K834-M838 HydrophobicContact CG-CG 4.27Å; K834-M838 WeakPolarHBondContact O-CB 3.39Å; K834-M838 WeakPolarHBondContact O-CG 3.41Å; K834-M838 PolarHBondContact O-N 3.1Å
835M88.8Confident85.6Confident137 Ų13754.6 Ų54.668%0.67528%0.283SS*.Hα-helixtrans-58.7-53.7179.4-70.2-97.8-7100111.1R831 V832 S837 M838 V839R831-M835 WeakPolarHBondContact O-CG 3.24Å; R831-M835 PolarHBondContact O-N 3.03Å; V832-M835 PolarHBondContact O-N 3.43Å; M835-S837 PolarHBondContact O-N 2.79Å; M835-M838 PolarHBondContact O-N 2.79Å; M835-V839 WeakPolarHBondContact O-CG2 3.12Å; M835-V839 PolarHBondContact O-N 3.35Å
836L85.6Confident85.8Confident52 Ų5258.2 Ų58.227%0.27230%0.302SS..Hα-helixtrans-61.8-43.7-179-67.1172.7000112V806 Y810 V832 M838 V839 S840V806-L836 HydrophobicContact CB-CD1 4.38Å; V806-L836 HydrophobicContact CG1-CD1 3.9Å; Y810-L836 HydrophobicContact CD2-CD1 3.64Å; Y810-L836 HydrophobicContact CE2-CD1 4.15Å; V832-L836 HydrophobicContact CG1-CD1 3.87Å; V832-L836 HydrophobicContact CG1-CG 4.38Å; V832-L836 WeakPolarHBondContact O-CG 3.45Å; V832-L836 PolarHBondContact O-N 3.09Å; L836-M838 VanDerWaalsContact C-N 3.33Å; L836-M838 PolarHBondContact O-N 2.9Å; L836-V839 PolarHBondContact O-N 3.22Å; L836-S840 WeakPolarHBondContact O-CB 3.26Å; L836-S840 PolarHBondContact O-N 3.12Å
837S85.1Confident85.8Confident0 Ų061.8 Ų61.80%032%0.32CS..Hα-helixtrans-65.6-35.2178.8-53.60000112.5S792 A833 M835 S840 L841S792-S837 WeakPolarHBondContact CA-OG 3.47Å; S792-S837 PolarHBondContact OG-OG 3.11Å; S792-S837 VanDerWaalsContact OG-OG 3.09Å; A833-S837 VanDerWaalsContact O-CB 3.31Å; A833-S837 WeakPolarHBondContact O-CB 3.29Å; A833-S837 PolarHBondContact O-N 2.79Å; A833-S837 PolarHBondContact O-OG 2.94Å; M835-S837 PolarHBondContact O-N 2.79Å; S837-S840 WeakPolarHBondContact O-CB 3.34Å; S837-L841 WeakPolarHBondContact O-CB 3.48Å; S837-L841 WeakPolarHBondContact O-CD1 3.4Å; S837-L841 WeakPolarHBondContact O-CG 3.37Å; S837-L841 PolarHBondContact O-N 3.12Å
838M85.2Confident85.9Confident75 Ų7563.9 Ų63.937%0.36933%0.33SS..Hα-helixtrans-71.8-42.4175.5-65.7-92.264.900112.2L791 K834 M835 L836 S840 L841 V842L791-M838 HydrophobicContact CD1-CE 3.96Å; L791-M838 HydrophobicContact CD2-CE 4.31Å; L791-M838 HydrophobicContact CD2-CG 4.19Å; L791-M838 HydrophobicContact CD2-SD 4.27Å; K834-M838 HydrophobicContact CG-CG 4.27Å; K834-M838 WeakPolarHBondContact O-CB 3.39Å; K834-M838 WeakPolarHBondContact O-CG 3.41Å; K834-M838 PolarHBondContact O-N 3.1Å; M835-M838 PolarHBondContact O-N 2.79Å; L836-M838 VanDerWaalsContact C-N 3.33Å; L836-M838 PolarHBondContact O-N 2.9Å; M838-S840 VanDerWaalsContact C-N 3.33Å; M838-L841 HydrophobicContact CE-CB 4.44Å; M838-L841 HydrophobicContact CE-CD1 3.77Å; M838-L841 PolarHBondContact O-N 3.22Å; M838-V842 WeakPolarHBondContact O-CG2 3.37Å; M838-V842 PolarHBondContact O-N 3.28Å
839V86.2Confident85.9Confident107 Ų10761 Ų6165%0.64833%0.326SS*.Hα-helixtrans-62.2-42.41751720000110.7M835 L836 V842 G843M835-V839 WeakPolarHBondContact O-CG2 3.12Å; M835-V839 PolarHBondContact O-N 3.35Å; L836-V839 PolarHBondContact O-N 3.22Å; V839-V842 PolarHBondContact O-N 2.85Å; V839-G843 PolarHBondContact O-N 3.07Å
840S83.1Confident85.7Confident5 Ų562 Ų624%0.03534%0.339CS..Hα-helixtrans-55.2-51.8171162.30000112.5A795 N804 L836 S837 M838 V842 G844A795-S840 WeakPolarHBondContact CB-OG 3.35Å; A795-S840 PolarHBondContact O-OG 2.9Å; N804-S840 PolarHBondContact ND2-OG 2.95Å; N804-S840 VanDerWaalsContact OD1-CB 3.28Å; N804-S840 WeakPolarHBondContact OD1-CB 3.17Å; N804-S840 PolarHBondContact OD1-OG 3.24Å; L836-S840 WeakPolarHBondContact O-CB 3.26Å; L836-S840 PolarHBondContact O-N 3.12Å; S837-S840 WeakPolarHBondContact O-CB 3.34Å; M838-S840 VanDerWaalsContact C-N 3.33Å; S840-V842 PolarHBondContact O-N 3.38Å; S840-G844 PolarHBondContact O-N 2.9Å
841L83.9Confident85.5Confident38 Ų3865.1 Ų65.120%0.19936%0.36CS..Hα-helixtrans-62.1-43.9-178-82.5158.5000111.9L791 A795 S837 M838 G844 T845L791-L841 HydrophobicContact CD1-CD1 3.71Å; L791-L841 HydrophobicContact CG-CD1 4.25Å; A795-L841 HydrophobicContact CB-CD1 4.31Å; A795-L841 HydrophobicContact CB-CG 4.07Å; S837-L841 WeakPolarHBondContact O-CB 3.48Å; S837-L841 WeakPolarHBondContact O-CD1 3.4Å; S837-L841 WeakPolarHBondContact O-CG 3.37Å; S837-L841 PolarHBondContact O-N 3.12Å; M838-L841 HydrophobicContact CE-CB 4.44Å; M838-L841 HydrophobicContact CE-CD1 3.77Å; M838-L841 PolarHBondContact O-N 3.22Å; L841-G844 PolarHBondContact O-N 2.84Å; L841-T845 WeakPolarHBondContact O-CG2 3.36Å; L841-T845 PolarHBondContact O-N 2.89Å; L841-T845 PolarHBondContact O-OG1 2.84Å
842V85.2Confident85.5Confident90 Ų9063.3 Ų63.355%0.54536%0.36SS..Hα-helixtrans-70.9-42.3179.4175.70000112M838 V839 S840 G844 T845 V846M838-V842 WeakPolarHBondContact O-CG2 3.37Å; M838-V842 PolarHBondContact O-N 3.28Å; V839-V842 PolarHBondContact O-N 2.85Å; S840-V842 PolarHBondContact O-N 3.38Å; V842-G844 VanDerWaalsContact C-N 3.32Å; V842-G844 PolarHBondContact O-N 3Å; V842-T845 PolarHBondContact O-N 2.91Å; V842-T845 PolarHBondContact O-OG1 2.95Å; V842-T845 VanDerWaalsContact O-OG1 3.13Å; V842-V846 VanDerWaalsContact O-CG2 3.32Å; V842-V846 WeakPolarHBondContact O-CG2 3.48Å; V842-V846 PolarHBondContact O-N 2.82Å; V842-V846 VanDerWaalsContact O-N 3.09Å
843G83.6Confident85.4Confident30 Ų3064.2 Ų64.231%0.30937%0.365SS..Hα-helixtrans-63.2-40.7174.100000112V839 V846 I847V839-G843 PolarHBondContact O-N 3.07Å; G843-V846 PolarHBondContact O-N 3.33Å; G843-I847 WeakPolarHBondContact O-CD1 3.49Å; G843-I847 VanDerWaalsContact O-CG1 3.31Å; G843-I847 WeakPolarHBondContact O-CG1 3.46Å; G843-I847 PolarHBondContact O-N 3.44Å
844G83.6Confident85.2Confident0 Ų068.4 Ų68.40%039%0.388CS..Hα-helixtrans-61.5-46.617600000113.6S840 L841 V842 I847 I848S840-G844 PolarHBondContact O-N 2.9Å; L841-G844 PolarHBondContact O-N 2.84Å; V842-G844 VanDerWaalsContact C-N 3.32Å; V842-G844 PolarHBondContact O-N 3Å; G844-I847 PolarHBondContact O-N 2.88Å; G844-I848 WeakPolarHBondContact O-CD1 3.3Å; G844-I848 VanDerWaalsContact O-CG1 3.26Å; G844-I848 WeakPolarHBondContact O-CG1 3.34Å; G844-I848 PolarHBondContact O-N 3.37Å
845T84Confident84.9Confident70 Ų7069.4 Ų69.443%0.42940%0.397SS..Hα-helixtrans-68-37.5177.752.60000112.4L841 V842 I847 I848 I849L841-T845 WeakPolarHBondContact O-CG2 3.36Å; L841-T845 PolarHBondContact O-N 2.89Å; L841-T845 PolarHBondContact O-OG1 2.84Å; V842-T845 PolarHBondContact O-N 2.91Å; V842-T845 PolarHBondContact O-OG1 2.95Å; V842-T845 VanDerWaalsContact O-OG1 3.13Å; T845-I847 PolarHBondContact O-N 3.35Å; T845-I848 PolarHBondContact O-N 3.32Å; T845-I849 WeakPolarHBondContact O-CB 3.39Å; T845-I849 WeakPolarHBondContact O-CD1 3.22Å; T845-I849 VanDerWaalsContact O-CG1 3.23Å; T845-I849 WeakPolarHBondContact O-CG1 3.48Å; T845-I849 PolarHBondContact O-N 3.13Å
846V87Confident84.4Confident89 Ų8965.6 Ų65.654%0.53939%0.388SS..Hα-helixtrans-61.5-43.3173.6170.30000111.4V842 G843 I849 A850V842-V846 VanDerWaalsContact O-CG2 3.32Å; V842-V846 WeakPolarHBondContact O-CG2 3.48Å; V842-V846 PolarHBondContact O-N 2.82Å; V842-V846 VanDerWaalsContact O-N 3.09Å; G843-V846 PolarHBondContact O-N 3.33Å; V846-I849 PolarHBondContact O-N 3.27Å; V846-A850 WeakPolarHBondContact O-CB 3.23Å; V846-A850 PolarHBondContact O-N 3.42Å
847I84.7Confident84.2Confident75 Ų7567.5 Ų67.539%0.38540%0.397SS..Hα-helixtrans-64.1-44.4175.6-70.4162.9000111.2P799 V800 G843 G844 T845 I849 A850 C851P799-I847 HydrophobicContact CG-CB 4.25Å; P799-I847 HydrophobicContact CG-CG2 3.87Å; V800-I847 HydrophobicContact CG2-CD1 3.72Å; G843-I847 WeakPolarHBondContact O-CD1 3.49Å; G843-I847 VanDerWaalsContact O-CG1 3.31Å; G843-I847 WeakPolarHBondContact O-CG1 3.46Å; G843-I847 PolarHBondContact O-N 3.44Å; G844-I847 PolarHBondContact O-N 2.88Å; T845-I847 PolarHBondContact O-N 3.35Å; I847-I849 PolarHBondContact O-N 3.19Å; I847-A850 PolarHBondContact O-N 3Å; I847-C851 WeakPolarHBondContact O-CB 3.5Å; I847-C851 PolarHBondContact O-N 2.95Å; I847-C851 PolarHBondContact O-SG 3Å
848I84.8Confident83.5Confident77 Ų7771.8 Ų71.840%0.39542%0.42SS..Hα-helixtrans-61.2-43.9177.5-70.4163.7000110.9P799 G844 T845 C851 I852P799-I848 HydrophobicContact CG-CG1 4.17Å; G844-I848 WeakPolarHBondContact O-CD1 3.3Å; G844-I848 VanDerWaalsContact O-CG1 3.26Å; G844-I848 WeakPolarHBondContact O-CG1 3.34Å; G844-I848 PolarHBondContact O-N 3.37Å; T845-I848 PolarHBondContact O-N 3.32Å; I848-C851 PolarHBondContact O-N 3.38Å; I848-I852 HydrophobicContact CG2-CD1 3.73Å; I848-I852 HydrophobicContact CG2-CG1 4.46Å; I848-I852 VanDerWaalsContact O-CG1 3.28Å; I848-I852 WeakPolarHBondContact O-CG1 3.34Å; I848-I852 PolarHBondContact O-N 3.41Å
849I85.4Confident82.9Confident103 Ų10373.9 Ų73.953%0.52844%0.437SS..Hα-helixtrans-63-44.7176.3-69.3163.7000110.6T845 V846 I847 C851 I852 V853T845-I849 WeakPolarHBondContact O-CB 3.39Å; T845-I849 WeakPolarHBondContact O-CD1 3.22Å; T845-I849 VanDerWaalsContact O-CG1 3.23Å; T845-I849 WeakPolarHBondContact O-CG1 3.48Å; T845-I849 PolarHBondContact O-N 3.13Å; V846-I849 PolarHBondContact O-N 3.27Å; I847-I849 PolarHBondContact O-N 3.19Å; I849-C851 PolarHBondContact O-N 2.89Å; I849-I852 PolarHBondContact O-N 3.01Å; I849-V853 HydrophobicContact CG2-CG2 4.44Å; I849-V853 WeakPolarHBondContact O-CG2 3.43Å; I849-V853 PolarHBondContact O-N 2.99Å
850A85.5Confident81.3Confident57 Ų5778 Ų7847%0.47145%0.446SS..Hα-helixtrans-61.2-42.3176.400000112.3V846 I847 V853 N854V846-A850 WeakPolarHBondContact O-CB 3.23Å; V846-A850 PolarHBondContact O-N 3.42Å; I847-A850 PolarHBondContact O-N 3Å; A850-V853 PolarHBondContact O-N 3.13Å; A850-N854 WeakPolarHBondContact O-CB 3.43Å; A850-N854 PolarHBondContact O-N 3.21Å
851C83.8Confident79.6Confident68 Ų6885.4 Ų85.446%0.45949%0.491SS..Hα-helixtrans-63.8-42.8174.8-70.70000112.4I847 I848 I849 N854 L855I847-C851 WeakPolarHBondContact O-CB 3.5Å; I847-C851 PolarHBondContact O-N 2.95Å; I847-C851 PolarHBondContact O-SG 3Å; I848-C851 PolarHBondContact O-N 3.38Å; I849-C851 PolarHBondContact O-N 2.89Å; C851-N854 PolarHBondContact O-N 3.17Å; C851-L855 WeakPolarHBondContact O-CB 3.39Å; C851-L855 WeakPolarHBondContact O-CG 3.37Å; C851-L855 PolarHBondContact O-N 3.03Å
852I85.8Confident79.4Confident104 Ų10487.8 Ų87.853%0.53351%0.506SS..Hα-helixtrans-63.6-43.3176.8-70.8166.5000110.9I848 I849 L855 A856I848-I852 HydrophobicContact CG2-CD1 3.73Å; I848-I852 HydrophobicContact CG2-CG1 4.46Å; I848-I852 VanDerWaalsContact O-CG1 3.28Å; I848-I852 WeakPolarHBondContact O-CG1 3.34Å; I848-I852 PolarHBondContact O-N 3.41Å; I849-I852 PolarHBondContact O-N 3.01Å; I852-L855 PolarHBondContact O-N 3.41Å; I852-A856 VanDerWaalsContact O-CB 3.27Å; I852-A856 WeakPolarHBondContact O-CB 3.39Å; I852-A856 PolarHBondContact O-N 3.24Å
853V86.2Confident79.1Confident79 Ų7987.6 Ų87.648%0.47950%0.503SS..Hα-helixtrans-63.3-44.7176.2169.50000110.9I849 A850 A856 I857I849-V853 HydrophobicContact CG2-CG2 4.44Å; I849-V853 WeakPolarHBondContact O-CG2 3.43Å; I849-V853 PolarHBondContact O-N 2.99Å; A850-V853 PolarHBondContact O-N 3.13Å; V853-A856 PolarHBondContact O-N 2.85Å; V853-I857 HydrophobicContact CG1-CD1 3.9Å; V853-I857 VanDerWaalsContact O-CG1 3.3Å; V853-I857 WeakPolarHBondContact O-CG1 3.33Å; V853-I857 PolarHBondContact O-N 2.62Å
854N84.1Confident78.8Confident89 Ų8990.8 Ų90.848%0.47651%0.514SS..Hα-helixtrans-66.3-39179.4-159.533.8000112.3A850 C851 I857 N858A850-N854 WeakPolarHBondContact O-CB 3.43Å; A850-N854 PolarHBondContact O-N 3.21Å; C851-N854 PolarHBondContact O-N 3.17Å; N854-I857 PolarHBondContact O-N 2.79Å; N854-N858 WeakPolarHBondContact O-CB 3.44Å; N854-N858 PolarHBondContact O-N 3.35Å
855L82.1Confident78.5Confident112 Ų11296.2 Ų96.259%0.58655%0.545SS*.Hα-helixtrans-64.1-42.9171.3-82.9160.6000112.1C851 I852 I857 N858 V859C851-L855 WeakPolarHBondContact O-CB 3.39Å; C851-L855 WeakPolarHBondContact O-CG 3.37Å; C851-L855 PolarHBondContact O-N 3.03Å; I852-L855 PolarHBondContact O-N 3.41Å; L855-I857 PolarHBondContact O-N 3.5Å; L855-N858 PolarHBondContact O-N 3.36Å; L855-V859 WeakPolarHBondContact O-CB 3.15Å; L855-V859 VanDerWaalsContact O-CG2 3.25Å; L855-V859 WeakPolarHBondContact O-CG2 3.35Å; L855-V859 PolarHBondContact O-N 2.94Å
856A78.6Confident78.2Confident58 Ų5897.8 Ų97.848%0.47955%0.552SS.*Hα-helixtrans-68.6-19.4178.400000113.7I852 V853I852-A856 VanDerWaalsContact O-CB 3.27Å; I852-A856 WeakPolarHBondContact O-CB 3.39Å; I852-A856 PolarHBondContact O-N 3.24Å; V853-A856 PolarHBondContact O-N 2.85Å
857I81Confident77.6Confident92 Ų9298.4 Ų98.447%0.47255%0.553SS.*Hα-helixtrans-80.8-53.5169.6-69.3163.7000109.7V853 N854 L855 V859 K860V853-I857 HydrophobicContact CG1-CD1 3.9Å; V853-I857 VanDerWaalsContact O-CG1 3.3Å; V853-I857 WeakPolarHBondContact O-CG1 3.33Å; V853-I857 PolarHBondContact O-N 2.62Å; N854-I857 PolarHBondContact O-N 2.79Å; L855-I857 PolarHBondContact O-N 3.5Å; I857-V859 PolarHBondContact O-N 3.12Å; I857-V859 VanDerWaalsContact O-N 3.15Å; I857-K860 PolarHBondContact O-N 2.71Å
858N70.6Confident77.1Confident89 Ų89100.1 Ų100.148%0.47657%0.565SS.*Hα-helixtrans-68.8-10.7-177.3-70.20.1000114.8N854 L855 T861N854-N858 WeakPolarHBondContact O-CB 3.44Å; N854-N858 PolarHBondContact O-N 3.35Å; L855-N858 PolarHBondContact O-N 3.36Å; N858-T861 PolarHBondContact O-OG1 2.65Å
859V71.1Confident76.5Confident119 Ų119101.8 Ų101.872%0.72158%0.578SS**THydrogen-bonded Turntrans-92.30.1171.5172.20000111.7L855 I857L855-V859 WeakPolarHBondContact O-CB 3.15Å; L855-V859 VanDerWaalsContact O-CG2 3.25Å; L855-V859 WeakPolarHBondContact O-CG2 3.35Å; L855-V859 PolarHBondContact O-N 2.94Å; I857-V859 PolarHBondContact O-N 3.12Å; I857-V859 VanDerWaalsContact O-N 3.15Å
860K53.2Low75.8Confident193 Ų193101.8 Ų101.884%0.83958%0.582SS**  trans-1157.6174.8-70.7-172.9172.6-172.30113.8I857I857-K860 PolarHBondContact O-N 2.71Å
861T47.2Very low74.9Confident161 Ų161105.8 Ų105.899%0.98859%0.592SS**  trans-116.70172.454.30000108.9N858N858-T861 PolarHBondContact O-OG1 2.65Å

Retrieved 861 of 861 residues in 748.8 ms (Link to these results)

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