A0A077ZL34_TRITR Loading...

Pkinase domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZL34, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 228 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
1M39.9Very low41.8Very low236 Ų236141.2 Ų141.2100%1.16384%0.844SS**  0128.10-68.9-179-175.100107
2P43.2Very low42.1Very low118 Ų118134.7 Ų134.777%0.76683%0.827SS**PPolyproline II helixtrans-67144170.829.8-30.8000108.8T4P2-T4 PolarHBondContact O-N 3.04Å
3P44.9Very low41.7Very low128 Ų128138.5 Ų138.583%0.83183%0.83SS**PPolyproline II helixtrans-64.7129.4176.526.3-30.7000109.4A5P3-A5 PolarHBondContact O-N 2.9Å
4T39.6Very low42.1Very low136 Ų136139.2 Ų139.283%0.83481%0.811SS**PPolyproline II helixtrans-61.4128.7171.436.50000110P2P2-T4 PolarHBondContact O-N 3.04Å
5A43.7Very low42.2Very low90 Ų90134.3 Ų134.374%0.74479%0.787SS**PPolyproline II helixtrans-58.4137.7175.400000110.9P3 G7P3-A5 PolarHBondContact O-N 2.9Å; A5-G7 PolarHBondContact O-N 2.93Å
6P46.3Very low42.6Very low128 Ų128138.6 Ų138.683%0.83179%0.793SS**PPolyproline II helixtrans-64.7135.2175.225.5-30.4000110.3
7G38.7Very low43.3Very low71 Ų71136.9 Ų136.973%0.73278%0.781SS**PPolyproline II helixtrans-62.6148-177.900000112.9A5A5-G7 PolarHBondContact O-N 2.93Å
8K44Very low43.9Very low199 Ų199130.5 Ų130.587%0.86574%0.743SS**PPolyproline II helixtrans-58.7133.8178.8-75.6-176.8174.5-175.50111.2
9P40.6Very low44.4Very low129 Ų129125.1 Ų125.184%0.83872%0.717SS**PPolyproline II helixtrans-62.5140.7170.3-16.929.6000110.8
10T40.7Very low45.4Very low130 Ų130122.5 Ų122.580%0.79871%0.705SS**PPolyproline II helixtrans-83.9150.8171.247.80000109.7G12T10-G12 PolarHBondContact O-N 2.77Å; T10-G12 VanDerWaalsContact O-N 3.08Å
11E37.9Very low47.3Very low188 Ų188120.4 Ų120.488%0.87969%0.689SS**THydrogen-bonded Turntrans-58.4110-178.6-69.6180145.400111
12G46Very low49.7Very low63 Ų63109.2 Ų109.265%0.64963%0.634SS**THydrogen-bonded Turntrans160-19.117000000118.7T10T10-G12 PolarHBondContact O-N 2.77Å; T10-G12 VanDerWaalsContact O-N 3.08Å
13E36.5Very low52Low184 Ų184109.2 Ų109.286%0.8662%0.62SS**  trans-121.378.7-173.3-71.7-176.6151.100112.4S15E13-S15 PolarHBondContact O-N 3.12Å
14W48.2Very low54.2Low149 Ų149108.5 Ų108.556%0.56461%0.609SS**  trans-92.285.5167.9-55.689.3000108.2F98 E100W14-F98 HydrophobicContact CH2-CD1 4.28Å; W14-F98 HydrophobicContact CH2-CE1 4.36Å; W14-F98 HydrophobicContact CZ3-CD1 4.38Å; W14-F98 HydrophobicContact CZ3-CE1 4.33Å; W14-E100 HydrophobicContact CE3-CB 4.31Å
15S42.4Very low56.8Low65 Ų65105.3 Ų105.346%0.45559%0.587SS.*  trans-72.7155.3176.41220000111E13 D17E13-S15 PolarHBondContact O-N 3.12Å; S15-D17 PolarHBondContact O-N 2.62Å; S15-D17 PolarHBondContact OG-N 3.12Å
16K48.7Very low59.4Low203 Ų203101.1 Ų101.188%0.88355%0.552SS**THydrogen-bonded Turntrans-64.22.5-180-74.5179.2174.3177.50114.9
17D54.5Low61.7Low111 Ų11197.7 Ų97.759%0.59453%0.526SS*.THydrogen-bonded Turntrans-89.9-6.5-177.4-73.6-41000115.4S15 A19 C20S15-D17 PolarHBondContact O-N 2.62Å; S15-D17 PolarHBondContact OG-N 3.12Å; D17-A19 PolarHBondContact O-N 3.07Å; D17-A19 VanDerWaalsContact O-N 3.11Å; D17-C20 PolarHBondContact O-N 3.2Å
18Q55.1Low64.4Low21 Ų2195.4 Ų95.410%0.09850%0.499CS..Hα-helixtrans-66-19.8-172.3-67.8-167.4-2.400115.5C20 E21 F22 E100Q18-C20 VanDerWaalsContact C-N 3.29Å; Q18-C20 PolarHBondContact O-N 3.17Å; Q18-E21 WeakPolarHBondContact O-CB 3.45Å; Q18-E21 PolarHBondContact O-N 3.07Å; Q18-F22 PolarHBondContact O-N 2.86Å; Q18-E100 WeakPolarHBondContact CB-O 3.42Å; Q18-E100 PolarHBondContact OE1-O 2.78Å
19A52.6Low66.9Low28 Ų2889 Ų8923%0.23147%0.471CS..Hα-helixtrans-60.4-41.9174.900000113.1D17 E21 Y23 M101D17-A19 PolarHBondContact O-N 3.07Å; D17-A19 VanDerWaalsContact O-N 3.11Å; A19-E21 VanDerWaalsContact C-N 3.29Å; A19-Y23 WeakPolarHBondContact O-CD2 3.32Å; A19-M101 VanDerWaalsContact CA-CG 3.46Å; A19-M101 WeakPolarHBondContact CA-SD 3.4Å; A19-M101 HydrophobicContact CB-CE 3.21Å; A19-M101 HydrophobicContact CB-CG 3.62Å; A19-M101 HydrophobicContact CB-SD 3.32Å; A19-M101 WeakPolarHBondContact CB-SD 3.41Å
20C65Low69.6Low73 Ų7387.4 Ų87.449%0.49345%0.452SS..Hα-helixtrans-69.6-32.6174-69.80000110.2D17 Q18 F22 Y23 N24D17-C20 PolarHBondContact O-N 3.2Å; Q18-C20 VanDerWaalsContact C-N 3.29Å; Q18-C20 PolarHBondContact O-N 3.17Å; C20-F22 PolarHBondContact O-N 3.27Å; C20-Y23 PolarHBondContact O-N 2.96Å; C20-N24 WeakPolarHBondContact O-CB 3.46Å; C20-N24 PolarHBondContact O-N 3.36Å; C20-N24 PolarHBondContact O-ND2 2.99Å; C20-N24 VanDerWaalsContact O-ND2 3.08Å; C20-N24 PolarHBondContact O-OD1 3.02Å
21E84.2Confident72.2Confident79 Ų7984.6 Ų84.637%0.36944%0.435SS..Hα-helixtrans-62.3-43.3-175.1-66.3-177.8179.700113.7Q18 A19 N24 N25 Y99Q18-E21 WeakPolarHBondContact O-CB 3.45Å; Q18-E21 PolarHBondContact O-N 3.07Å; A19-E21 VanDerWaalsContact C-N 3.29Å; E21-N24 PolarHBondContact O-N 2.96Å; E21-N25 WeakPolarHBondContact O-CB 3.4Å; E21-N25 PolarHBondContact O-N 3.42Å; E21-N25 VanDerWaalsContact O-N 3.13Å; E21-N25 PolarHBondContact O-ND2 3.38Å; E21-Y99 HydrophobicContact CB-CD1 3.91Å; E21-Y99 HydrophobicContact CB-CE1 3.87Å
22F91Very high74.8Confident0 Ų079.8 Ų79.80%042%0.415CS..Hα-helixtrans-61.2-53176.2171.6-104.2000111Q18 C20 N24 N25 Y26 C28 V54 Y99 F106 V108Q18-F22 PolarHBondContact O-N 2.86Å; C20-F22 PolarHBondContact O-N 3.27Å; F22-N24 PolarHBondContact O-N 3.41Å; F22-N25 PolarHBondContact O-N 2.82Å; F22-Y26 AromaticContact CD2-CD2 3.75Å; F22-Y26 HydrophobicContact CD2-CD2 3.75Å; F22-Y26 HydrophobicContact CD2-CG 4.22Å; F22-Y26 AromaticContact CE2-CD2 3.77Å; F22-Y26 HydrophobicContact CE2-CD2 3.77Å; F22-Y26 AromaticContact CE2-CG 3.8Å; F22-Y26 HydrophobicContact CE2-CG 3.8Å; F22-Y26 HydrophobicContact CZ-CG 4.48Å; F22-Y26 PolarHBondContact O-N 3.23Å; F22-C28 WeakPolarHBondContact CE1-SG 3.36Å; F22-C28 WeakPolarHBondContact CZ-SG 3.43Å; F22-V54 HydrophobicContact CE2-CB 4.27Å; F22-V54 HydrophobicContact CE2-CG2 3.81Å; F22-V54 HydrophobicContact CZ-CB 4.2Å; F22-V54 HydrophobicContact CZ-CG1 4Å; F22-V54 HydrophobicContact CZ-CG2 3.88Å; F22-Y99 HydrophobicContact CB-CD1 4.32Å; F22-Y99 HydrophobicContact CB-CD2 3.81Å; F22-Y99 HydrophobicContact CB-CE2 4.28Å; F22-Y99 HydrophobicContact CB-CG 3.83Å; F22-Y99 AromaticContact CD2-CD2 3.72Å; F22-Y99 HydrophobicContact CD2-CD2 3.72Å; F22-Y99 AromaticContact CD2-CE2 3.85Å; F22-Y99 HydrophobicContact CD2-CE2 3.85Å; F22-Y99 HydrophobicContact CG-CD2 4.22Å; F22-F106 HydrophobicContact CB-CG 4.41Å; F22-F106 AromaticContact CD1-CD1 3.53Å; F22-F106 HydrophobicContact CD1-CD1 3.53Å; F22-F106 AromaticContact CD1-CE1 3.68Å; F22-F106 HydrophobicContact CD1-CE1 3.68Å; F22-F106 HydrophobicContact CD1-CG 4.13Å; F22-F106 HydrophobicContact CD1-CZ 4.39Å; F22-F106 HydrophobicContact CD2-CB 4.17Å; F22-F106 HydrophobicContact CD2-CD1 4.24Å; F22-F106 HydrophobicContact CD2-CG 4.36Å; F22-F106 AromaticContact CE1-CD1 3.64Å; F22-F106 HydrophobicContact CE1-CD1 3.64Å; F22-F106 AromaticContact CE1-CE1 3.82Å; F22-F106 HydrophobicContact CE1-CE1 3.82Å; F22-F106 HydrophobicContact CE2-CD1 4.35Å; F22-F106 HydrophobicContact CG-CB 4.28Å; F22-F106 AromaticContact CG-CD1 3.85Å; F22-F106 HydrophobicContact CG-CD1 3.85Å; F22-F106 HydrophobicContact CG-CE1 4.38Å; F22-F106 HydrophobicContact CG-CG 4.01Å; F22-F106 HydrophobicContact CZ-CD1 4.07Å; F22-V108 HydrophobicContact CD2-CG2 4.33Å; F22-V108 HydrophobicContact CE2-CG2 4.04Å
23Y91.1Very high76.9Confident119 Ų11978.1 Ų78.147%0.46740%0.398SS..Hα-helixtrans-70.3-17.1-179-69.4-67.9000114A19 C20 F46 F106A19-Y23 WeakPolarHBondContact O-CD2 3.32Å; C20-Y23 PolarHBondContact O-N 2.96Å; Y23-F46 WeakPolarHBondContact O-CE2 3.46Å; Y23-F106 HydrophobicContact CE2-CE1 4.49Å; Y23-F106 HydrophobicContact CE2-CZ 4.24Å
24N92.1Very high79.5Confident112 Ų11277.4 Ų77.460%0.59939%0.391SS*.Hα-helixtrans-80.3-23.2171.4-72.7-19.1000112.3C20 E21 F22 F46C20-N24 WeakPolarHBondContact O-CB 3.46Å; C20-N24 PolarHBondContact O-N 3.36Å; C20-N24 PolarHBondContact O-ND2 2.99Å; C20-N24 VanDerWaalsContact O-ND2 3.08Å; C20-N24 PolarHBondContact O-OD1 3.02Å; E21-N24 PolarHBondContact O-N 2.96Å; F22-N24 PolarHBondContact O-N 3.41Å; N24-F46 WeakPolarHBondContact O-CD2 3.39Å
25N94.5Very high81.1Confident69 Ų6972.4 Ų72.437%0.36939%0.387SS..Hα-helixtrans-102.5-26.4-178.1-72.1-52.6000113.1E21 F22 R45 F46 Y99E21-N25 WeakPolarHBondContact O-CB 3.4Å; E21-N25 PolarHBondContact O-N 3.42Å; E21-N25 VanDerWaalsContact O-N 3.13Å; E21-N25 PolarHBondContact O-ND2 3.38Å; F22-N25 PolarHBondContact O-N 2.82Å; N25-R45 WeakPolarHBondContact O-CA 3.42Å; N25-F46 WeakPolarHBondContact O-CD2 3.41Å; N25-F46 PolarHBondContact O-N 2.82Å; N25-Y99 PolarHBondContact ND2-OH 3.2Å
26Y96.8Very high82.8Confident3 Ų378.6 Ų78.61%0.01241%0.41CS..EExtended strand (participates in β ladder)trans-132.2136.6-170.8-68.4-84000114.3F22 C43 I44 R45 F46 F52 D97 Y99 V108F22-Y26 AromaticContact CD2-CD2 3.75Å; F22-Y26 HydrophobicContact CD2-CD2 3.75Å; F22-Y26 HydrophobicContact CD2-CG 4.22Å; F22-Y26 AromaticContact CE2-CD2 3.77Å; F22-Y26 HydrophobicContact CE2-CD2 3.77Å; F22-Y26 AromaticContact CE2-CG 3.8Å; F22-Y26 HydrophobicContact CE2-CG 3.8Å; F22-Y26 HydrophobicContact CZ-CG 4.48Å; F22-Y26 PolarHBondContact O-N 3.23Å; Y26-C43 HydrophobicContact CD1-CB 4.28Å; Y26-I44 CarbonylContact C-O 3.49Å; Y26-I44 WeakPolarHBondContact CA-O 3.42Å; Y26-R45 HydrophobicContact CD1-CB 4.07Å; Y26-R45 HydrophobicContact CE1-CB 3.65Å; Y26-R45 HydrophobicContact CE1-CG 4.12Å; Y26-R45 PolarHBondContact OH-NE 3.22Å; Y26-R45 PolarHBondContact OH-NH2 3.42Å; Y26-F46 VanDerWaalsContact C-CE2 3.47Å; Y26-F52 HydrophobicContact CD1-CD2 4.5Å; Y26-F52 AromaticContact CE1-CD2 3.71Å; Y26-F52 HydrophobicContact CE1-CD2 3.71Å; Y26-F52 HydrophobicContact CE1-CE2 4.21Å; Y26-F52 HydrophobicContact CE1-CG 4.32Å; Y26-D97 PolarHBondContact OH-OD2 3.5Å; Y26-Y99 HydrophobicContact CD2-CE2 4.21Å; Y26-Y99 AromaticContact CE2-CE2 3.91Å; Y26-Y99 HydrophobicContact CE2-CE2 3.91Å; Y26-V108 HydrophobicContact CE1-CG1 4.01Å; Y26-V108 HydrophobicContact CE2-CG2 4.24Å
27D96.1Very high84.5Confident56 Ų5671.9 Ų71.930%0.29939%0.389SS..EExtended strand (participates in β ladder)trans-94.5110.2169.2-169.2-20.4000110.2K29 C43 I44 F46D27-K29 VanDerWaalsContact CG-CE 3.45Å; D27-K29 WeakPolarHBondContact OD1-CE 3.38Å; D27-K29 IonicContact OD1-NZ 2.68Å; D27-K29 PolarHBondContact OD1-NZ 3.42Å; D27-K29 WeakPolarHBondContact OD2-CE 3.44Å; D27-K29 IonicContact OD2-NZ 2.9Å; D27-K29 PolarHBondContact OD2-NZ 3.42Å; D27-C43 CarbonylContact O-C 3.54Å; D27-C43 WeakPolarHBondContact O-CA 3.1Å; D27-I44 HydrophobicContact CB-CB 4.44Å; D27-I44 PolarHBondContact N-O 3.45Å; D27-I44 PolarHBondContact O-N 3.11Å; D27-F46 HydrophobicContact CB-CD1 4.37Å; D27-F46 HydrophobicContact CB-CE1 3.57Å; D27-F46 HydrophobicContact CB-CZ 3.68Å
28C95.2Very high86.2Confident23 Ų2367.9 Ų67.916%0.15537%0.37CS..EExtended strand (participates in β ladder)trans-75.8130.8177.9-810000112.5F22F22-C28 WeakPolarHBondContact CE1-SG 3.36Å; F22-C28 WeakPolarHBondContact CZ-SG 3.43Å
29K96.4Very high88.1Confident63 Ų6369.1 Ų69.127%0.27438%0.379SS..EExtended strand (participates in β ladder)trans-112.3-145.6-178.3-55.2-60.3-175.3-163.80111.5D27 R41 R42 I44D27-K29 VanDerWaalsContact CG-CE 3.45Å; D27-K29 WeakPolarHBondContact OD1-CE 3.38Å; D27-K29 IonicContact OD1-NZ 2.68Å; D27-K29 PolarHBondContact OD1-NZ 3.42Å; D27-K29 WeakPolarHBondContact OD2-CE 3.44Å; D27-K29 IonicContact OD2-NZ 2.9Å; D27-K29 PolarHBondContact OD2-NZ 3.42Å; K29-R41 VanDerWaalsContact O-CZ 3.3Å; K29-R41 PolarHBondContact O-NE 3.36Å; K29-R41 PolarHBondContact O-NH2 3.08Å; K29-R42 WeakPolarHBondContact CA-O 3.42Å; K29-R42 HydrophobicContact CB-CB 4.26Å; K29-R42 WeakPolarHBondContact CB-O 3.47Å; K29-R42 PolarHBondContact N-O 3.04Å; K29-I44 HydrophobicContact CG-CD1 4.23Å; K29-I44 HydrophobicContact CG-CG1 4.19Å
30E96.7Very high90.2Very high97 Ų9769.8 Ų69.845%0.45338%0.38SS..EExtended strand (participates in β ladder)trans-64.6161.2-178.170.8-79.7-177.200113.4R41 R42E30-R41 VanDerWaalsContact O-CA 3.32Å; E30-R41 WeakPolarHBondContact O-CA 3.41Å; E30-R41 WeakPolarHBondContact O-CB 3.34Å; E30-R42 VanDerWaalsContact CD-NE 3.34Å; E30-R42 PolarHBondContact O-N 3.3Å; E30-R42 IonicContact OE1-CZ 2.76Å; E30-R42 IonicContact OE1-NE 2.74Å; E30-R42 PolarHBondContact OE1-NE 2.75Å; E30-R42 IonicContact OE1-NH2 2.93Å; E30-R42 PolarHBondContact OE1-NH2 2.9Å; E30-R42 IonicContact OE2-CZ 2.62Å; E30-R42 IonicContact OE2-NE 3.6Å; E30-R42 PolarHBondContact OE2-NE 3.02Å; E30-R42 IonicContact OE2-NH2 3.07Å; E30-R42 PolarHBondContact OE2-NH2 2.59Å
31V96Very high91.7Very high70 Ų7070 Ų7042%0.42437%0.371SS..EExtended strand (participates in β ladder)trans-79.3129.6174.1176.20000108.9G33 K34 T39 R41V31-G33 WeakPolarHBondContact CG1-O 3.3Å; V31-K34 HydrophobicContact CG1-CG 3.91Å; V31-T39 HydrophobicContact CG1-CG2 3.9Å; V31-T39 HydrophobicContact CG2-CG2 4.05Å; V31-R41 HydrophobicContact CG2-CG 4.17Å
32L92.9Very high92.3Very high88 Ų8868.2 Ų68.246%0.46136%0.36SS..EExtended strand (participates in β ladder)trans-94.3-33.5174.4-60176.3000111.4V40 R42 A53 L111L32-V40 HydrophobicContact CB-CG1 4.29Å; L32-V40 HydrophobicContact CD1-CG1 4.46Å; L32-V40 PolarHBondContact N-O 3.35Å; L32-R42 HydrophobicContact CD1-CB 4.06Å; L32-R42 HydrophobicContact CD2-CB 4.23Å; L32-R42 HydrophobicContact CG-CB 4.19Å; L32-A53 HydrophobicContact CD1-CB 4.13Å; L32-L111 HydrophobicContact CD1-CD1 3.6Å
33G89.6Confident92.6Very high28 Ų2868.2 Ų68.229%0.28936%0.36SS..EExtended strand (participates in β ladder)trans-163.5159.6-179.600000112.8V31 V40V31-G33 WeakPolarHBondContact CG1-O 3.3Å; G33-V40 PolarHBondContact N-O 3.43Å; G33-V40 PolarHBondContact O-N 2.95Å
34K90.2Very high93Very high168 Ų16864.5 Ų64.573%0.7335%0.348SS*.EExtended strand (participates in β ladder)trans-131.7127176.2-67.6-175.7179.3-178.30109.6V31 T39V31-K34 HydrophobicContact CG1-CG 3.91Å; K34-T39 HydrophobicContact CG-CG2 4.3Å
35G82Confident93.2Very high45 Ų4561.4 Ų61.446%0.46433%0.328SS..  trans-104.1-172.3169.200000111.4S38G35-S38 PolarHBondContact N-O 3.06Å
36M78.9Confident93.3Very high194 Ų19463.7 Ų63.796%0.95634%0.335SS*.SBendtrans-65.1-43.4-177.8-172178.4-65.700113.1
37S83.6Confident93.2Very high63 Ų6368.4 Ų68.444%0.44137%0.368SS..SBendtrans-126.515.5-178.6-51.10000112.5D58S37-D58 PolarHBondContact O-N 3.18Å
38S90.9Very high93.2Very high27 Ų2769.8 Ų69.819%0.18938%0.379CS..EExtended strand (participates in β ladder)trans-144.2147.8-17563.50000112.8G35 I56G35-S38 PolarHBondContact N-O 3.06Å; S38-I56 CarbonylContact C-O 3.51Å; S38-I56 WeakPolarHBondContact CA-O 3.38Å
39T94.2Very high93.3Very high47 Ų4771 Ų7129%0.28840%0.396SS..EExtended strand (participates in β ladder)trans-122.5130.8170.2-61.30000109.3V31 K34 R41 I56V31-T39 HydrophobicContact CG1-CG2 3.9Å; V31-T39 HydrophobicContact CG2-CG2 4.05Å; K34-T39 HydrophobicContact CG-CG2 4.3Å; T39-R41 HydrophobicContact CG2-CG 3.99Å; T39-I56 PolarHBondContact N-O 3.32Å; T39-I56 PolarHBondContact O-N 2.93Å
40V95.9Very high93.3Very high42 Ų4272.7 Ų72.726%0.25541%0.405SS..EExtended strand (participates in β ladder)trans-98.8127.2174.2-174.20000108.8L32 G33 A53 V54 K55L32-V40 HydrophobicContact CB-CG1 4.29Å; L32-V40 HydrophobicContact CD1-CG1 4.46Å; L32-V40 PolarHBondContact N-O 3.35Å; G33-V40 PolarHBondContact N-O 3.43Å; G33-V40 PolarHBondContact O-N 2.95Å; V40-A53 HydrophobicContact CG1-CB 4.27Å; V40-V54 CarbonylContact C-O 3.57Å; V40-V54 VanDerWaalsContact CA-O 3.27Å; V40-V54 WeakPolarHBondContact CA-O 3.13Å; V40-K55 HydrophobicContact CG2-CB 4.32Å; V40-K55 HydrophobicContact CG2-CG 4.29Å
41R97.4Very high93.3Very high78 Ų7871 Ų7129%0.29440%0.397SS..EExtended strand (participates in β ladder)trans-126.2151.7179.1-60.3-17970.5171.9-1.3110.6K29 E30 V31 T39 A53 V54 I56K29-R41 VanDerWaalsContact O-CZ 3.3Å; K29-R41 PolarHBondContact O-NE 3.36Å; K29-R41 PolarHBondContact O-NH2 3.08Å; E30-R41 VanDerWaalsContact O-CA 3.32Å; E30-R41 WeakPolarHBondContact O-CA 3.41Å; E30-R41 WeakPolarHBondContact O-CB 3.34Å; V31-R41 HydrophobicContact CG2-CG 4.17Å; T39-R41 HydrophobicContact CG2-CG 3.99Å; R41-A53 CarbonylContact O-C 3.47Å; R41-A53 WeakPolarHBondContact O-CA 3.39Å; R41-V54 HydrophobicContact CB-CG1 3.99Å; R41-V54 PolarHBondContact N-O 2.71Å; R41-V54 PolarHBondContact O-N 2.76Å; R41-I56 HydrophobicContact CG-CD1 4.33Å
42R97.7Very high93.4Very high40 Ų4067.8 Ų67.815%0.15138%0.377CS..EExtended strand (participates in β ladder)trans-71.1140.4163.4-172.5173.762.389.37.8108.5K29 E30 L32 E51 F52 L111K29-R42 WeakPolarHBondContact CA-O 3.42Å; K29-R42 HydrophobicContact CB-CB 4.26Å; K29-R42 WeakPolarHBondContact CB-O 3.47Å; K29-R42 PolarHBondContact N-O 3.04Å; E30-R42 VanDerWaalsContact CD-NE 3.34Å; E30-R42 PolarHBondContact O-N 3.3Å; E30-R42 IonicContact OE1-CZ 2.76Å; E30-R42 IonicContact OE1-NE 2.74Å; E30-R42 PolarHBondContact OE1-NE 2.75Å; E30-R42 IonicContact OE1-NH2 2.93Å; E30-R42 PolarHBondContact OE1-NH2 2.9Å; E30-R42 IonicContact OE2-CZ 2.62Å; E30-R42 IonicContact OE2-NE 3.6Å; E30-R42 PolarHBondContact OE2-NE 3.02Å; E30-R42 IonicContact OE2-NH2 3.07Å; E30-R42 PolarHBondContact OE2-NH2 2.59Å; L32-R42 HydrophobicContact CD1-CB 4.06Å; L32-R42 HydrophobicContact CD2-CB 4.23Å; L32-R42 HydrophobicContact CG-CB 4.19Å; R42-E51 IonicContact CZ-OE1 3.69Å; R42-E51 IonicContact NE-OE1 3.49Å; R42-E51 IonicContact NH1-OE1 3.44Å; R42-E51 PolarHBondContact NH1-OE1 2.78Å; R42-F52 WeakPolarHBondContact CA-O 3.24Å; R42-L111 HydrophobicContact CG-CD2 4.07Å
43C97.7Very high93.7Very high0 Ų064.1 Ų64.10%036%0.359CS..EExtended strand (participates in β ladder)trans-136.3158.9170.861.10000111.1Y26 D27 E51 F52 V54Y26-C43 HydrophobicContact CD1-CB 4.28Å; D27-C43 CarbonylContact O-C 3.54Å; D27-C43 WeakPolarHBondContact O-CA 3.1Å; C43-E51 WeakPolarHBondContact O-CA 3.38Å; C43-F52 PolarHBondContact N-O 3.25Å; C43-F52 PolarHBondContact O-N 3.02Å; C43-V54 HydrophobicContact CB-CG1 4.12Å
44I97.8Very high94Very high41 Ų4162.8 Ų62.821%0.2135%0.346CS..EExtended strand (participates in β ladder)trans-122.8127.7179.4-53.8179.7000108.3Y26 D27 K29 F46 E50 E51Y26-I44 CarbonylContact C-O 3.49Å; Y26-I44 WeakPolarHBondContact CA-O 3.42Å; D27-I44 HydrophobicContact CB-CB 4.44Å; D27-I44 PolarHBondContact N-O 3.45Å; D27-I44 PolarHBondContact O-N 3.11Å; K29-I44 HydrophobicContact CG-CD1 4.23Å; K29-I44 HydrophobicContact CG-CG1 4.19Å; I44-F46 PolarHBondContact O-N 2.86Å; I44-E50 CarbonylContact C-O 3.53Å; I44-E50 WeakPolarHBondContact CA-O 3.45Å; I44-E51 HydrophobicContact CG1-CG 4.45Å
45R97.5Very high94.3Very high47 Ų4756.1 Ų56.118%0.17732%0.317CS..EExtended strand (participates in β ladder)trans-73.7124.6175.4-174.6-177.9-76.1166.7-9.5109.8N25 Y26 S47 T48 G49 E50 F52 D97N25-R45 WeakPolarHBondContact O-CA 3.42Å; Y26-R45 HydrophobicContact CD1-CB 4.07Å; Y26-R45 HydrophobicContact CE1-CB 3.65Å; Y26-R45 HydrophobicContact CE1-CG 4.12Å; Y26-R45 PolarHBondContact OH-NE 3.22Å; Y26-R45 PolarHBondContact OH-NH2 3.42Å; R45-S47 VanDerWaalsContact C-N 3.33Å; R45-S47 WeakPolarHBondContact CD-OG 3.37Å; R45-S47 WeakPolarHBondContact CG-OG 3.36Å; R45-S47 PolarHBondContact O-N 2.62Å; R45-T48 PolarHBondContact O-N 2.92Å; R45-G49 WeakPolarHBondContact O-CA 3.33Å; R45-G49 PolarHBondContact O-N 3.28Å; R45-E50 PolarHBondContact N-O 2.93Å; R45-F52 HydrophobicContact CB-CD2 4.13Å; R45-F52 HydrophobicContact CB-CE2 3.71Å; R45-D97 IonicContact CZ-OD2 2.7Å; R45-D97 IonicContact NH2-OD2 3.54Å; R45-D97 PolarHBondContact NH2-OD2 3.16Å
46F96.1Very high94.9Very high117 Ų11755 Ų5551%0.51330%0.3SS..THydrogen-bonded Turntrans-61.9-38.5-175.3-70.7-61000113.7Y23 N24 N25 Y26 D27 I44 T48Y23-F46 WeakPolarHBondContact O-CE2 3.46Å; N24-F46 WeakPolarHBondContact O-CD2 3.39Å; N25-F46 WeakPolarHBondContact O-CD2 3.41Å; N25-F46 PolarHBondContact O-N 2.82Å; Y26-F46 VanDerWaalsContact C-CE2 3.47Å; D27-F46 HydrophobicContact CB-CD1 4.37Å; D27-F46 HydrophobicContact CB-CE1 3.57Å; D27-F46 HydrophobicContact CB-CZ 3.68Å; I44-F46 PolarHBondContact O-N 2.86Å; F46-T48 VanDerWaalsContact C-N 3.34Å; F46-T48 PolarHBondContact O-N 2.87Å
47S95.3Very high95.5Very high102 Ų10246.2 Ų46.271%0.71326%0.256SS*.THydrogen-bonded Turntrans-70.2-27.9-174.455.70000113.9R45R45-S47 VanDerWaalsContact C-N 3.33Å; R45-S47 WeakPolarHBondContact CD-OG 3.37Å; R45-S47 WeakPolarHBondContact CG-OG 3.36Å; R45-S47 PolarHBondContact O-N 2.62Å
48T96.2Very high95.9Very high85 Ų8546.2 Ų46.252%0.52125%0.252SS..THydrogen-bonded Turntrans-119.2-19.3-174.361.80000113.9R45 F46 E50R45-T48 PolarHBondContact O-N 2.92Å; F46-T48 VanDerWaalsContact C-N 3.34Å; F46-T48 PolarHBondContact O-N 2.87Å; T48-E50 PolarHBondContact O-N 3.48Å; T48-E50 VanDerWaalsContact OG1-CB 3.26Å; T48-E50 WeakPolarHBondContact OG1-CB 3.44Å; T48-E50 PolarHBondContact OG1-N 2.76Å
49G96.1Very high95.8Very high49 Ų4945.6 Ų45.651%0.50525%0.246SC..  trans71.78.6-170.200000113.8R45R45-G49 WeakPolarHBondContact O-CA 3.33Å; R45-G49 PolarHBondContact O-N 3.28Å
50E97Very high95.2Very high99 Ų9946.1 Ų46.146%0.46325%0.252SS..  trans-77.2143.7-178.4-172.8176.1-166.600111.7I44 R45 T48 F52I44-E50 CarbonylContact C-O 3.53Å; I44-E50 WeakPolarHBondContact CA-O 3.45Å; R45-E50 PolarHBondContact N-O 2.93Å; T48-E50 PolarHBondContact O-N 3.48Å; T48-E50 VanDerWaalsContact OG1-CB 3.26Å; T48-E50 WeakPolarHBondContact OG1-CB 3.44Å; T48-E50 PolarHBondContact OG1-N 2.76Å; E50-F52 HydrophobicContact CB-CE2 3.73Å; E50-F52 HydrophobicContact CB-CZ 4.05Å; E50-F52 VanDerWaalsContact CD-CZ 3.41Å; E50-F52 HydrophobicContact CG-CE1 4.37Å; E50-F52 HydrophobicContact CG-CE2 3.75Å; E50-F52 HydrophobicContact CG-CZ 3.64Å; E50-F52 WeakPolarHBondContact O-CD2 3.36Å; E50-F52 WeakPolarHBondContact O-CE2 3.37Å; E50-F52 WeakPolarHBondContact OE2-CZ 3.37Å
51E97.6Very high94.3Very high62 Ų6247.2 Ų47.229%0.2926%0.261SS..EExtended strand (participates in β ladder)trans-94.3138.4-177.1-55.6-174.2109.900112.2R42 C43 I44 L111 K113R42-E51 IonicContact CZ-OE1 3.69Å; R42-E51 IonicContact NE-OE1 3.49Å; R42-E51 IonicContact NH1-OE1 3.44Å; R42-E51 PolarHBondContact NH1-OE1 2.78Å; C43-E51 WeakPolarHBondContact O-CA 3.38Å; I44-E51 HydrophobicContact CG1-CG 4.45Å; E51-L111 HydrophobicContact CB-CD2 3.8Å; E51-K113 VanDerWaalsContact OE2-CE 3.29Å; E51-K113 WeakPolarHBondContact OE2-CE 3.36Å; E51-K113 IonicContact OE2-NZ 3Å; E51-K113 PolarHBondContact OE2-NZ 2.96Å
52F97.8Very high93Very high2 Ų253.1 Ų53.11%0.00929%0.292CS..EExtended strand (participates in β ladder)trans-137.1171-178.2-63.7-79000110.7Y26 R42 C43 R45 E50 Q96 V108 F109Y26-F52 HydrophobicContact CD1-CD2 4.5Å; Y26-F52 AromaticContact CE1-CD2 3.71Å; Y26-F52 HydrophobicContact CE1-CD2 3.71Å; Y26-F52 HydrophobicContact CE1-CE2 4.21Å; Y26-F52 HydrophobicContact CE1-CG 4.32Å; R42-F52 WeakPolarHBondContact CA-O 3.24Å; C43-F52 PolarHBondContact N-O 3.25Å; C43-F52 PolarHBondContact O-N 3.02Å; R45-F52 HydrophobicContact CB-CD2 4.13Å; R45-F52 HydrophobicContact CB-CE2 3.71Å; E50-F52 HydrophobicContact CB-CE2 3.73Å; E50-F52 HydrophobicContact CB-CZ 4.05Å; E50-F52 VanDerWaalsContact CD-CZ 3.41Å; E50-F52 HydrophobicContact CG-CE1 4.37Å; E50-F52 HydrophobicContact CG-CE2 3.75Å; E50-F52 HydrophobicContact CG-CZ 3.64Å; E50-F52 WeakPolarHBondContact O-CD2 3.36Å; E50-F52 WeakPolarHBondContact O-CE2 3.37Å; E50-F52 WeakPolarHBondContact OE2-CZ 3.37Å; F52-Q96 HydrophobicContact CD1-CB 4.35Å; F52-Q96 HydrophobicContact CD1-CG 3.71Å; F52-Q96 HydrophobicContact CE1-CB 4.29Å; F52-Q96 HydrophobicContact CE1-CG 3.57Å; F52-V108 HydrophobicContact CB-CG1 3.73Å; F52-V108 HydrophobicContact CD1-CG1 4.36Å; F52-V108 HydrophobicContact CG-CG1 4.05Å; F52-F109 WeakPolarHBondContact CA-O 3.38Å; F52-F109 WeakPolarHBondContact CB-O 3.39Å; F52-F109 WeakPolarHBondContact CD1-O 3.43Å
53A97.7Very high92Very high11 Ų1160.4 Ų60.49%0.09133%0.325CS..EExtended strand (participates in β ladder)trans-112.7132167.600000109.4L32 V40 R41 V108 F109 L111L32-A53 HydrophobicContact CD1-CB 4.13Å; V40-A53 HydrophobicContact CG1-CB 4.27Å; R41-A53 CarbonylContact O-C 3.47Å; R41-A53 WeakPolarHBondContact O-CA 3.39Å; A53-V108 CarbonylContact O-C 3.55Å; A53-F109 PolarHBondContact N-O 3.03Å; A53-F109 PolarHBondContact O-N 2.89Å; A53-L111 HydrophobicContact CB-CD1 4.06Å
54V97.2Very high91.2Very high0 Ų062.1 Ų62.10%034%0.339CS..EExtended strand (participates in β ladder)trans-111.3121.917560.90000110.2F22 V40 R41 C43 I56 F106 I107 V108F22-V54 HydrophobicContact CE2-CB 4.27Å; F22-V54 HydrophobicContact CE2-CG2 3.81Å; F22-V54 HydrophobicContact CZ-CB 4.2Å; F22-V54 HydrophobicContact CZ-CG1 4Å; F22-V54 HydrophobicContact CZ-CG2 3.88Å; V40-V54 CarbonylContact C-O 3.57Å; V40-V54 VanDerWaalsContact CA-O 3.27Å; V40-V54 WeakPolarHBondContact CA-O 3.13Å; R41-V54 HydrophobicContact CB-CG1 3.99Å; R41-V54 PolarHBondContact N-O 2.71Å; R41-V54 PolarHBondContact O-N 2.76Å; C43-V54 HydrophobicContact CB-CG1 4.12Å; V54-I56 HydrophobicContact CG1-CD1 4.34Å; V54-I56 HydrophobicContact CG1-CG1 4.22Å; V54-I56 HydrophobicContact CG2-CG1 4.01Å; V54-F106 HydrophobicContact CG2-CB 4.05Å; V54-F106 HydrophobicContact CG2-CD1 4.08Å; V54-I107 CarbonylContact C-O 3.57Å; V54-I107 WeakPolarHBondContact CA-O 3.43Å; V54-V108 HydrophobicContact CG2-CG2 4.22Å
55K95.4Very high90.7Very high28 Ų2863.6 Ų63.612%0.12235%0.35CS..EExtended strand (participates in β ladder)trans-87.8111.3168.2-174.3177.8179.4-178.80107.3V40 I57 E79 I107 F109 D173V40-K55 HydrophobicContact CG2-CB 4.32Å; V40-K55 HydrophobicContact CG2-CG 4.29Å; K55-I57 HydrophobicContact CG-CG1 4.36Å; K55-E79 IonicContact NZ-OE1 3.3Å; K55-E79 PolarHBondContact NZ-OE1 2.92Å; K55-E79 VanDerWaalsContact NZ-OE1 3.09Å; K55-E79 IonicContact NZ-OE2 2.72Å; K55-I107 HydrophobicContact CB-CB 4.33Å; K55-I107 PolarHBondContact N-O 2.88Å; K55-I107 PolarHBondContact O-N 3.45Å; K55-F109 HydrophobicContact CB-CD2 4.44Å; K55-F109 HydrophobicContact CB-CE2 3.9Å; K55-F109 HydrophobicContact CD-CE2 4.35Å; K55-D173 IonicContact NZ-OD1 3.43Å; K55-D173 PolarHBondContact NZ-OD1 2.86Å
56I94.6Very high90.2Very high22 Ų2265.3 Ų65.311%0.11337%0.374CS..EExtended strand (participates in β ladder)trans-100.2114.5179.3-51173.4000107.3S38 T39 R41 V54 F104 L105 F106S38-I56 CarbonylContact C-O 3.51Å; S38-I56 WeakPolarHBondContact CA-O 3.38Å; T39-I56 PolarHBondContact N-O 3.32Å; T39-I56 PolarHBondContact O-N 2.93Å; R41-I56 HydrophobicContact CG-CD1 4.33Å; V54-I56 HydrophobicContact CG1-CD1 4.34Å; V54-I56 HydrophobicContact CG1-CG1 4.22Å; V54-I56 HydrophobicContact CG2-CG1 4.01Å; I56-F104 HydrophobicContact CG2-CD1 4.12Å; I56-L105 CarbonylContact C-O 3.56Å; I56-L105 WeakPolarHBondContact CA-O 3.44Å; I56-F106 HydrophobicContact CB-CD1 4.48Å; I56-F106 HydrophobicContact CB-CE1 4.48Å; I56-F106 HydrophobicContact CD1-CD1 4.33Å; I56-F106 HydrophobicContact CD1-CE1 4.07Å; I56-F106 HydrophobicContact CG1-CD1 3.83Å; I56-F106 HydrophobicContact CG1-CE1 3.96Å; I56-F106 HydrophobicContact CG2-CD1 4.17Å; I56-F106 HydrophobicContact CG2-CE1 3.8Å; I56-F106 HydrophobicContact CG2-CZ 4.18Å
57I92.6Very high89.9Confident8 Ų866.1 Ų66.14%0.04138%0.379CS..EExtended strand (participates in β ladder)trans-102.1127.2178.7-59.3169.5000108.4K55 L59 L72 T76 F104 L105 I107K55-I57 HydrophobicContact CG-CG1 4.36Å; I57-L59 HydrophobicContact CG2-CD2 4.3Å; I57-L72 HydrophobicContact CG2-CD1 4.42Å; I57-L72 HydrophobicContact CG2-CD2 4Å; I57-L72 HydrophobicContact CG2-CG 4.29Å; I57-T76 HydrophobicContact CD1-CG2 3.63Å; I57-F104 CarbonylContact O-C 3.59Å; I57-F104 VanDerWaalsContact O-CA 3.24Å; I57-F104 WeakPolarHBondContact O-CA 3.27Å; I57-L105 HydrophobicContact CB-CB 4.2Å; I57-L105 PolarHBondContact N-O 2.78Å; I57-L105 PolarHBondContact O-N 3.13Å; I57-I107 HydrophobicContact CD1-CD1 3.88Å
58D91.1Very high89.6Confident63 Ų6365.9 Ų65.934%0.33737%0.367SS..EExtended strand (participates in β ladder)trans-90.1116.1179-168.6-17.1000110.5S37 S60 F104S37-D58 PolarHBondContact O-N 3.18Å; D58-S60 WeakPolarHBondContact OD1-CA 3.35Å; D58-S60 WeakPolarHBondContact OD1-CB 3.46Å; D58-S60 PolarHBondContact OD1-N 3.39Å; D58-S60 PolarHBondContact OD1-OG 2.79Å; D58-F104 HydrophobicContact CB-CD1 4.19Å; D58-F104 HydrophobicContact CB-CE1 3.93Å
59L88.2Confident89.2Confident14 Ų1463.8 Ų63.87%0.07335%0.354CS..  trans-92.4-6.4177-58.2-177.5000112.6I57 V69 L72 S103 L105I57-L59 HydrophobicContact CG2-CD2 4.3Å; L59-V69 HydrophobicContact CB-CG1 4.16Å; L59-V69 WeakPolarHBondContact O-CG2 3.32Å; L59-L72 HydrophobicContact CD2-CD2 3.87Å; L59-L72 HydrophobicContact CD2-CG 4.07Å; L59-S103 WeakPolarHBondContact CB-O 3.2Å; L59-S103 PolarHBondContact N-O 3.29Å; L59-L105 HydrophobicContact CD1-CD1 4.31Å; L59-L105 HydrophobicContact CD1-CD2 3.96Å; L59-L105 HydrophobicContact CD1-CG 3.84Å; L59-L105 HydrophobicContact CD2-CD1 4.16Å; L59-L105 HydrophobicContact CD2-CG 4.27Å; L59-L105 HydrophobicContact CG-CG 4.17Å
60S82.4Confident89Confident58 Ų5869.6 Ų69.641%0.40636%0.361SS..  trans-98.215.2-171690000114.7D58 E62D58-S60 WeakPolarHBondContact OD1-CA 3.35Å; D58-S60 WeakPolarHBondContact OD1-CB 3.46Å; D58-S60 PolarHBondContact OD1-N 3.39Å; D58-S60 PolarHBondContact OD1-OG 2.79Å; S60-E62 PolarHBondContact O-N 2.87Å
61S76.4Confident88.7Confident65 Ų6570.4 Ų70.446%0.45536%0.364SS..  trans-52.9116.5177.9-1790000110.8K63 A64S61-K63 PolarHBondContact O-N 2.83Å; S61-A64 WeakPolarHBondContact O-CB 3.35Å; S61-A64 PolarHBondContact O-N 2.83Å
62E69.8Low88.3Confident202 Ų20270 Ų7094%0.94436%0.364SS*.THydrogen-bonded Turntrans-57.3-18.3-176.6-65.3-176.5165.600113.5S60S60-E62 PolarHBondContact O-N 2.87Å
63K77.2Confident88Confident194 Ų19475 Ų7584%0.84338%0.383SS*.THydrogen-bonded Turntrans-93.8-10.4179.7-63.2-177.4-179.4178.30113.7S61S61-K63 PolarHBondContact O-N 2.83Å
64A80.7Confident87.8Confident35 Ų3578 Ų7829%0.28940%0.397SS..  trans-83.3132-17600000111S61 Q68 V69S61-A64 WeakPolarHBondContact O-CB 3.35Å; S61-A64 PolarHBondContact O-N 2.83Å; A64-Q68 HydrophobicContact CB-CB 4.36Å; A64-V69 HydrophobicContact CB-CG2 3.79Å
65T87.1Confident87.5Confident73 Ų7379.5 Ų79.545%0.44841%0.408SS..  trans-70.1157.7170.170.40000110.1E67 Q68 V69T65-E67 PolarHBondContact O-N 2.91Å; T65-E67 VanDerWaalsContact O-N 3.12Å; T65-Q68 PolarHBondContact O-N 2.83Å; T65-Q68 WeakPolarHBondContact OG1-CG 3.37Å; T65-Q68 PolarHBondContact OG1-N 2.98Å; T65-V69 WeakPolarHBondContact O-CG2 3.42Å; T65-V69 PolarHBondContact O-N 2.9Å
66A88Confident87.4Confident82 Ų8278.3 Ų78.368%0.67840%0.403SS*.Hα-helixtrans-57.9-27.2175.500000112.9R70A66-R70 WeakPolarHBondContact O-CB 3.2Å; A66-R70 PolarHBondContact O-N 2.86Å
67E90Very high87.3Confident134 Ų13479.7 Ų79.763%0.62641%0.411SS*.Hα-helixtrans-70.7-48.2173.9-173167.9-154.300111.3T65 V69 R70 E71T65-E67 PolarHBondContact O-N 2.91Å; T65-E67 VanDerWaalsContact O-N 3.12Å; E67-V69 VanDerWaalsContact C-N 3.32Å; E67-V69 PolarHBondContact O-N 3.06Å; E67-R70 WeakPolarHBondContact O-CB 3.46Å; E67-R70 PolarHBondContact O-N 3.2Å; E67-R70 VanDerWaalsContact O-N 3.07Å; E67-E71 WeakPolarHBondContact O-CG 3.5Å; E67-E71 PolarHBondContact O-N 2.82Å
68Q88.6Confident87.4Confident98 Ų9885.6 Ų85.646%0.45843%0.432SS..Hα-helixtrans-60.7-39.4176.3-71.8171-33.500112.6A64 T65 R70 E71 L72A64-Q68 HydrophobicContact CB-CB 4.36Å; T65-Q68 PolarHBondContact O-N 2.83Å; T65-Q68 WeakPolarHBondContact OG1-CG 3.37Å; T65-Q68 PolarHBondContact OG1-N 2.98Å; Q68-R70 VanDerWaalsContact C-N 3.32Å; Q68-E71 PolarHBondContact O-N 2.8Å; Q68-L72 WeakPolarHBondContact O-CB 3.43Å; Q68-L72 PolarHBondContact O-N 2.88Å
69V88.7Confident87.6Confident41 Ų4183.1 Ų83.125%0.24842%0.419CS..Hα-helixtrans-63.1-41.3175175.30000110.9L59 A64 T65 E67 R73L59-V69 HydrophobicContact CB-CG1 4.16Å; L59-V69 WeakPolarHBondContact O-CG2 3.32Å; A64-V69 HydrophobicContact CB-CG2 3.79Å; T65-V69 WeakPolarHBondContact O-CG2 3.42Å; T65-V69 PolarHBondContact O-N 2.9Å; E67-V69 VanDerWaalsContact C-N 3.32Å; E67-V69 PolarHBondContact O-N 3.06Å; V69-R73 WeakPolarHBondContact O-CB 3.47Å; V69-R73 PolarHBondContact O-N 2.93Å
70R90.3Very high88Confident170 Ų17082.7 Ų82.764%0.64242%0.417SS*.Hα-helixtrans-65.8-45.3177-168.8-170.8-57.9-98.2-0.1111.3A66 E67 Q68 L72 R73 D74A66-R70 WeakPolarHBondContact O-CB 3.2Å; A66-R70 PolarHBondContact O-N 2.86Å; E67-R70 WeakPolarHBondContact O-CB 3.46Å; E67-R70 PolarHBondContact O-N 3.2Å; E67-R70 VanDerWaalsContact O-N 3.07Å; Q68-R70 VanDerWaalsContact C-N 3.32Å; R70-L72 VanDerWaalsContact C-N 3.35Å; R70-L72 PolarHBondContact O-N 2.74Å; R70-R73 PolarHBondContact O-N 2.7Å; R70-D74 WeakPolarHBondContact O-CB 3.47Å; R70-D74 VanDerWaalsContact O-CG 3.31Å; R70-D74 PolarHBondContact O-N 2.85Å
71E90.6Very high88.6Confident116 Ų11686 Ų8654%0.54242%0.424SS..Hα-helixtrans-60.1-42.8176.9-72.7178.216600112.3E67 Q68 D74 S75E67-E71 WeakPolarHBondContact O-CG 3.5Å; E67-E71 PolarHBondContact O-N 2.82Å; Q68-E71 PolarHBondContact O-N 2.8Å; E71-D74 PolarHBondContact O-N 3.49Å; E71-S75 WeakPolarHBondContact O-CB 3.36Å; E71-S75 PolarHBondContact O-N 3.33Å; E71-S75 PolarHBondContact O-OG 3.44Å
72L90.1Very high89.6Confident54 Ų5483.5 Ų83.528%0.28341%0.405SS..Hα-helixtrans-64.8-41.1176.5179.559.7000111.9I57 L59 Q68 R70 S75 T76I57-L72 HydrophobicContact CG2-CD1 4.42Å; I57-L72 HydrophobicContact CG2-CD2 4Å; I57-L72 HydrophobicContact CG2-CG 4.29Å; L59-L72 HydrophobicContact CD2-CD2 3.87Å; L59-L72 HydrophobicContact CD2-CG 4.07Å; Q68-L72 WeakPolarHBondContact O-CB 3.43Å; Q68-L72 PolarHBondContact O-N 2.88Å; R70-L72 VanDerWaalsContact C-N 3.35Å; R70-L72 PolarHBondContact O-N 2.74Å; L72-S75 PolarHBondContact O-OG 3.43Å; L72-T76 WeakPolarHBondContact O-CB 3.4Å; L72-T76 PolarHBondContact O-N 2.72Å; L72-T76 PolarHBondContact O-OG1 3.3Å
73R91.6Very high90.9Very high106 Ų10674 Ų7440%0.436%0.361SS..Hα-helixtrans-63.2-48.5174.9-174.7179.8-178.51751.6110.9V69 R70 S75 T76 L77 E100V69-R73 WeakPolarHBondContact O-CB 3.47Å; V69-R73 PolarHBondContact O-N 2.93Å; R70-R73 PolarHBondContact O-N 2.7Å; R73-S75 PolarHBondContact O-N 3.08Å; R73-T76 PolarHBondContact O-N 3.05Å; R73-L77 HydrophobicContact CG-CD1 4.32Å; R73-L77 WeakPolarHBondContact O-CG 3.4Å; R73-L77 PolarHBondContact O-N 3.49Å; R73-E100 IonicContact CZ-OE1 2.74Å; R73-E100 IonicContact CZ-OE2 3.47Å; R73-E100 IonicContact NE-OE1 3.86Å; R73-E100 PolarHBondContact NE-OE1 2.95Å; R73-E100 IonicContact NE-OE2 2.59Å; R73-E100 IonicContact NH2-OE1 3.5Å; R73-E100 PolarHBondContact NH2-OE1 3.49Å; R73-E100 IonicContact NH2-OE2 3.39Å; R73-E100 PolarHBondContact NH2-OE2 3.39Å
74D92.3Very high91.8Very high74 Ų7470.2 Ų70.240%0.39635%0.346SS..Hα-helixtrans-65.4-39-179-71.5-15.7000111.9R70 E71 L77 R78R70-D74 WeakPolarHBondContact O-CB 3.47Å; R70-D74 VanDerWaalsContact O-CG 3.31Å; R70-D74 PolarHBondContact O-N 2.85Å; E71-D74 PolarHBondContact O-N 3.49Å; D74-L77 PolarHBondContact O-N 2.97Å; D74-R78 WeakPolarHBondContact O-CG 3.5Å; D74-R78 PolarHBondContact O-N 3.22Å
75S91.5Very high92.5Very high33 Ų3372.4 Ų72.423%0.23135%0.351CS..Hα-helixtrans-65.8-40.8174.868.10000111.9E71 L72 R73 R78 E79E71-S75 WeakPolarHBondContact O-CB 3.36Å; E71-S75 PolarHBondContact O-N 3.33Å; E71-S75 PolarHBondContact O-OG 3.44Å; L72-S75 PolarHBondContact O-OG 3.43Å; R73-S75 PolarHBondContact O-N 3.08Å; S75-R78 WeakPolarHBondContact O-CB 3.49Å; S75-R78 PolarHBondContact O-N 2.95Å; S75-E79 PolarHBondContact O-N 3.06Å
76T93.1Very high93Very high3 Ų369.4 Ų69.42%0.01833%0.332CS..Hα-helixtrans-64.6-42.6176-560000111.7I57 L72 R73 R78 E79 I80 L105 I107I57-T76 HydrophobicContact CD1-CG2 3.63Å; L72-T76 WeakPolarHBondContact O-CB 3.4Å; L72-T76 PolarHBondContact O-N 2.72Å; L72-T76 PolarHBondContact O-OG1 3.3Å; R73-T76 PolarHBondContact O-N 3.05Å; T76-R78 VanDerWaalsContact C-N 3.27Å; T76-R78 PolarHBondContact O-N 2.48Å; T76-E79 WeakPolarHBondContact O-CB 3.39Å; T76-E79 PolarHBondContact O-N 3.09Å; T76-I80 HydrophobicContact CG2-CD1 4.05Å; T76-I80 WeakPolarHBondContact O-CD1 3.44Å; T76-I80 WeakPolarHBondContact O-CG1 3.4Å; T76-I80 PolarHBondContact O-N 2.84Å; T76-L105 HydrophobicContact CG2-CD1 3.59Å; T76-I107 HydrophobicContact CG2-CD1 3.65Å
77L93.5Very high93.3Very high51 Ų5170 Ų7027%0.26733%0.331SS..Hα-helixtrans-64.9-32.5175.9-69.5176.2000112R73 D74 I80 K81 F98R73-L77 HydrophobicContact CG-CD1 4.32Å; R73-L77 WeakPolarHBondContact O-CG 3.4Å; R73-L77 PolarHBondContact O-N 3.49Å; D74-L77 PolarHBondContact O-N 2.97Å; L77-I80 HydrophobicContact CD2-CD1 4.39Å; L77-K81 WeakPolarHBondContact O-CG 3.48Å; L77-K81 PolarHBondContact O-N 3.42Å; L77-K81 VanDerWaalsContact O-N 3.08Å; L77-F98 HydrophobicContact CD2-CE1 3.87Å; L77-F98 HydrophobicContact CD2-CZ 3.84Å
78R94.5Very high93.5Very high132 Ų13266.7 Ų66.750%0.49833%0.333SS..Hα-helixtrans-66.3-46.4170.6-73.4-168.6-57.4-98.74.8111.9D74 S75 T76 I80 K81 I82D74-R78 WeakPolarHBondContact O-CG 3.5Å; D74-R78 PolarHBondContact O-N 3.22Å; S75-R78 WeakPolarHBondContact O-CB 3.49Å; S75-R78 PolarHBondContact O-N 2.95Å; T76-R78 VanDerWaalsContact C-N 3.27Å; T76-R78 PolarHBondContact O-N 2.48Å; R78-I80 VanDerWaalsContact C-N 3.29Å; R78-I80 PolarHBondContact O-N 2.92Å; R78-K81 PolarHBondContact O-N 2.76Å; R78-I82 WeakPolarHBondContact O-CG1 3.32Å; R78-I82 PolarHBondContact O-N 2.94Å
79E95Very high93.9Very high10 Ų1064.2 Ų64.25%0.04732%0.321CS..Hα-helixtrans-52.5-48.4174.7175.2179.9179.100110.6K55 S75 T76 K81 I82 L83 F174K55-E79 IonicContact NZ-OE1 3.3Å; K55-E79 PolarHBondContact NZ-OE1 2.92Å; K55-E79 VanDerWaalsContact NZ-OE1 3.09Å; K55-E79 IonicContact NZ-OE2 2.72Å; S75-E79 PolarHBondContact O-N 3.06Å; T76-E79 WeakPolarHBondContact O-CB 3.39Å; T76-E79 PolarHBondContact O-N 3.09Å; E79-K81 PolarHBondContact O-N 2.96Å; E79-I82 PolarHBondContact O-N 2.93Å; E79-L83 HydrophobicContact CG-CD1 3.91Å; E79-L83 WeakPolarHBondContact O-CB 3.47Å; E79-L83 WeakPolarHBondContact O-CG 3.46Å; E79-L83 PolarHBondContact O-N 2.82Å; E79-F174 HydrophobicContact CG-CB 3.95Å
80I95.7Very high94.3Very high6 Ų668.1 Ų68.13%0.03134%0.335CS..Hα-helixtrans-61-46.5178.1-70.4159.4000112T76 L77 R78 I82 L83 Q84 L95 F98 I107T76-I80 HydrophobicContact CG2-CD1 4.05Å; T76-I80 WeakPolarHBondContact O-CD1 3.44Å; T76-I80 WeakPolarHBondContact O-CG1 3.4Å; T76-I80 PolarHBondContact O-N 2.84Å; L77-I80 HydrophobicContact CD2-CD1 4.39Å; R78-I80 VanDerWaalsContact C-N 3.29Å; R78-I80 PolarHBondContact O-N 2.92Å; I80-I82 VanDerWaalsContact C-N 3.31Å; I80-I82 PolarHBondContact O-N 3.28Å; I80-L83 PolarHBondContact O-N 3.38Å; I80-Q84 HydrophobicContact CG2-CG 4.49Å; I80-Q84 VanDerWaalsContact O-CG 3.29Å; I80-Q84 WeakPolarHBondContact O-CG 3.26Å; I80-Q84 PolarHBondContact O-N 2.84Å; I80-L95 HydrophobicContact CG2-CD2 3.84Å; I80-F98 HydrophobicContact CD1-CD1 4.07Å; I80-F98 HydrophobicContact CD1-CD2 3.27Å; I80-F98 HydrophobicContact CD1-CE1 4.03Å; I80-F98 HydrophobicContact CD1-CE2 3.22Å; I80-F98 HydrophobicContact CD1-CG 3.69Å; I80-F98 HydrophobicContact CD1-CZ 3.62Å; I80-F98 HydrophobicContact CG1-CD2 4.34Å; I80-I107 HydrophobicContact CD1-CD1 4.35Å; I80-I107 HydrophobicContact CD1-CG1 4.44Å; I80-I107 HydrophobicContact CG1-CD1 4.36Å; I80-I107 HydrophobicContact CG1-CG2 4.49Å
81K96.4Very high94.7Very high128 Ų12860.2 Ų60.256%0.55731%0.305SS*.Hα-helixtrans-60.2-42.3178.2-76.7176.8179.2-174.90111.7L77 R78 E79 Q84 M85L77-K81 WeakPolarHBondContact O-CG 3.48Å; L77-K81 PolarHBondContact O-N 3.42Å; L77-K81 VanDerWaalsContact O-N 3.08Å; R78-K81 PolarHBondContact O-N 2.76Å; E79-K81 PolarHBondContact O-N 2.96Å; K81-Q84 PolarHBondContact O-N 3.39Å; K81-M85 WeakPolarHBondContact O-CG 3.29Å; K81-M85 PolarHBondContact O-N 3.19Å
82I96.8Very high95.1Very high12 Ų1254.7 Ų54.76%0.06228%0.28CS..Hα-helixtrans-64.4-48.5177-69.3175000110.3R78 E79 I80 Q84 M85 F86 I151 F174 A177R78-I82 WeakPolarHBondContact O-CG1 3.32Å; R78-I82 PolarHBondContact O-N 2.94Å; E79-I82 PolarHBondContact O-N 2.93Å; I80-I82 VanDerWaalsContact C-N 3.31Å; I80-I82 PolarHBondContact O-N 3.28Å; I82-Q84 VanDerWaalsContact C-N 3.29Å; I82-Q84 PolarHBondContact O-N 3.43Å; I82-M85 VanDerWaalsContact O-CB 3.3Å; I82-M85 WeakPolarHBondContact O-CB 3.46Å; I82-M85 PolarHBondContact O-N 2.73Å; I82-F86 HydrophobicContact CG2-CD2 4.38Å; I82-F86 HydrophobicContact CG2-CE2 3.84Å; I82-F86 WeakPolarHBondContact O-CD2 3.5Å; I82-I151 HydrophobicContact CG1-CD1 4.47Å; I82-I151 HydrophobicContact CG2-CG2 3.68Å; I82-F174 HydrophobicContact CG2-CD1 3.71Å; I82-F174 HydrophobicContact CG2-CE1 4.31Å; I82-A177 VanDerWaalsContact CD1-C 3.5Å; I82-A177 HydrophobicContact CD1-CB 3.79Å; I82-A177 WeakPolarHBondContact CD1-O 3.3Å; I82-A177 HydrophobicContact CG2-CB 4.1Å
83L96.6Very high95.4Very high2 Ų252.3 Ų52.31%0.0127%0.267CS..Hα-helixtrans-57.7-40.1178-78163.1000112.7E79 I80 M85 F86 S87 I93 L95 F109 F174E79-L83 HydrophobicContact CG-CD1 3.91Å; E79-L83 WeakPolarHBondContact O-CB 3.47Å; E79-L83 WeakPolarHBondContact O-CG 3.46Å; E79-L83 PolarHBondContact O-N 2.82Å; I80-L83 PolarHBondContact O-N 3.38Å; L83-M85 PolarHBondContact O-N 3.2Å; L83-F86 PolarHBondContact O-N 3.48Å; L83-F86 VanDerWaalsContact O-N 3.07Å; L83-S87 PolarHBondContact O-N 3.01Å; L83-I93 HydrophobicContact CD2-CG2 3.83Å; L83-L95 HydrophobicContact CB-CB 4.38Å; L83-F109 HydrophobicContact CD1-CE1 3.67Å; L83-F109 HydrophobicContact CD1-CZ 4Å; L83-F109 HydrophobicContact CD2-CE1 4.47Å; L83-F174 HydrophobicContact CD2-CB 4.32Å; L83-F174 HydrophobicContact CD2-CD2 3.46Å; L83-F174 VanDerWaalsContact CD2-CD2 3.46Å; L83-F174 HydrophobicContact CD2-CE2 3.84Å; L83-F174 HydrophobicContact CD2-CG 3.88Å; L83-F174 HydrophobicContact CG-CB 4.15Å; L83-F174 HydrophobicContact CG-CD2 4.22Å; L83-F174 HydrophobicContact CG-CG 4.16Å
84Q96.3Very high95.6Very high115 Ų11548.1 Ų48.154%0.53725%0.254SS..Hα-helixtrans-59.8-31.1176.6-74.8174-14.300112.8I80 K81 I82 F86 S87 L95I80-Q84 HydrophobicContact CG2-CG 4.49Å; I80-Q84 VanDerWaalsContact O-CG 3.29Å; I80-Q84 WeakPolarHBondContact O-CG 3.26Å; I80-Q84 PolarHBondContact O-N 2.84Å; K81-Q84 PolarHBondContact O-N 3.39Å; I82-Q84 VanDerWaalsContact C-N 3.29Å; I82-Q84 PolarHBondContact O-N 3.43Å; Q84-F86 PolarHBondContact O-N 3.23Å; Q84-S87 WeakPolarHBondContact O-CB 3.37Å; Q84-S87 PolarHBondContact O-N 3.08Å; Q84-L95 HydrophobicContact CG-CD2 3.83Å
85M96.5Very high95.8Very high80 Ų8046 Ų4639%0.39424%0.242SC..THydrogen-bonded Turntrans-66-19.6177.4-62.7169.263.500113.4K81 I82 L83 K149 I151K81-M85 WeakPolarHBondContact O-CG 3.29Å; K81-M85 PolarHBondContact O-N 3.19Å; I82-M85 VanDerWaalsContact O-CB 3.3Å; I82-M85 WeakPolarHBondContact O-CB 3.46Å; I82-M85 PolarHBondContact O-N 2.73Å; L83-M85 PolarHBondContact O-N 3.2Å; M85-K149 HydrophobicContact CB-CD 4.26Å; M85-K149 HydrophobicContact CE-CB 4.07Å; M85-K149 HydrophobicContact CE-CD 3.91Å; M85-K149 WeakPolarHBondContact O-CE 3.38Å; M85-I151 HydrophobicContact CE-CD1 4.04Å; M85-I151 HydrophobicContact CE-CG1 4.12Å; M85-I151 HydrophobicContact SD-CD1 4.24Å
86F96.9Very high96Very high10 Ų1047.9 Ų47.94%0.04425%0.248CC..THydrogen-bonded Turntrans-112.213.1-177.8-56.2-67.7000113.4I82 L83 Q84 G88 H89 I92 A145 M146 K149 I151 F174I82-F86 HydrophobicContact CG2-CD2 4.38Å; I82-F86 HydrophobicContact CG2-CE2 3.84Å; I82-F86 WeakPolarHBondContact O-CD2 3.5Å; L83-F86 PolarHBondContact O-N 3.48Å; L83-F86 VanDerWaalsContact O-N 3.07Å; Q84-F86 PolarHBondContact O-N 3.23Å; F86-G88 PolarHBondContact O-N 2.94Å; F86-G88 VanDerWaalsContact O-N 3.16Å; F86-H89 HydrophobicContact CB-CB 4.48Å; F86-H89 VanDerWaalsContact O-CB 3.3Å; F86-H89 WeakPolarHBondContact O-CB 3.44Å; F86-H89 PolarHBondContact O-N 3.37Å; F86-I92 HydrophobicContact CB-CB 4.27Å; F86-I92 HydrophobicContact CB-CD1 3.75Å; F86-I92 HydrophobicContact CB-CG2 3.89Å; F86-I92 HydrophobicContact CD1-CD1 3.7Å; F86-I92 HydrophobicContact CD2-CD1 4.23Å; F86-I92 HydrophobicContact CE1-CD1 4.39Å; F86-I92 HydrophobicContact CG-CD1 3.61Å; F86-A145 WeakPolarHBondContact CE1-O 3.33Å; F86-M146 HydrophobicContact CE1-CB 4.49Å; F86-M146 HydrophobicContact CE1-CG 4.17Å; F86-M146 HydrophobicContact CE2-CG 4.18Å; F86-M146 HydrophobicContact CZ-CB 4.16Å; F86-M146 HydrophobicContact CZ-CG 3.87Å; F86-K149 HydrophobicContact CD1-CD 4.29Å; F86-K149 HydrophobicContact CE1-CB 4.49Å; F86-K149 HydrophobicContact CE1-CD 3.6Å; F86-K149 HydrophobicContact CE1-CG 4.32Å; F86-K149 HydrophobicContact CZ-CB 4.43Å; F86-K149 HydrophobicContact CZ-CD 4.03Å; F86-I151 HydrophobicContact CE2-CB 4.27Å; F86-I151 HydrophobicContact CE2-CG1 4.04Å; F86-I151 HydrophobicContact CE2-CG2 4.15Å; F86-I151 HydrophobicContact CZ-CB 3.92Å; F86-I151 HydrophobicContact CZ-CG1 3.7Å; F86-I151 HydrophobicContact CZ-CG2 4.28Å; F86-F174 HydrophobicContact CD2-CE1 4.28Å; F86-F174 HydrophobicContact CE2-CE1 4.31Å
87S93.7Very high96.1Very high94 Ų9450.1 Ų50.166%0.65726%0.26SS*.THydrogen-bonded Turntrans-51.4121.9177.1178.80000111.3L83 Q84L83-S87 PolarHBondContact O-N 3.01Å; Q84-S87 WeakPolarHBondContact O-CB 3.37Å; Q84-S87 PolarHBondContact O-N 3.08Å
88G94.4Very high96.2Very high65 Ų6549.3 Ų49.367%0.6725%0.254SS*.THydrogen-bonded Turntrans89.4-1.6-179.800000115.3F86 K90F86-G88 PolarHBondContact O-N 2.94Å; F86-G88 VanDerWaalsContact O-N 3.16Å; G88-K90 PolarHBondContact O-N 2.62Å
89H97.6Very high96.1Very high46 Ų4643.9 Ų43.921%0.21323%0.234CC..  trans-68.6132.2173.9-170.1-95.5000111.1F86 N91 I92 K170F86-H89 HydrophobicContact CB-CB 4.48Å; F86-H89 VanDerWaalsContact O-CB 3.3Å; F86-H89 WeakPolarHBondContact O-CB 3.44Å; F86-H89 PolarHBondContact O-N 3.37Å; H89-N91 VanDerWaalsContact C-N 3.27Å; H89-N91 PolarHBondContact ND1-N 3.39Å; H89-N91 PolarHBondContact O-N 3.46Å; H89-I92 HydrophobicContact CB-CB 4.19Å; H89-I92 HydrophobicContact CB-CD1 4.35Å; H89-I92 PolarHBondContact ND1-N 3.37Å; H89-I92 PolarHBondContact O-N 2.92Å; H89-K170 PolarHBondContact O-NZ 2.68Å
90K97.4Very high95.9Very high123 Ų12344.3 Ų44.354%0.53524%0.236SC..THydrogen-bonded Turntrans-65.8-27.2-172.472.6-174.8-177.4173.70113.6G88 E141 K170G88-K90 PolarHBondContact O-N 2.62Å; K90-E141 WeakPolarHBondContact CE-OE2 3.39Å; K90-E141 IonicContact NZ-OE1 3.01Å; K90-E141 PolarHBondContact NZ-OE1 3.03Å; K90-E141 VanDerWaalsContact NZ-OE1 3.07Å; K90-E141 IonicContact NZ-OE2 3.07Å; K90-E141 PolarHBondContact NZ-OE2 3.46Å; K90-K170 VanDerWaalsContact O-CE 3.29Å; K90-K170 WeakPolarHBondContact O-CE 3.36Å
91N98.3Very high95.5Very high4 Ų445.8 Ų45.82%0.02124%0.243CC..THydrogen-bonded Turntrans-113.413.2-177.5-56.2115.5000115H89 Q138 E141 A142 L169 K170 V171H89-N91 VanDerWaalsContact C-N 3.27Å; H89-N91 PolarHBondContact ND1-N 3.39Å; H89-N91 PolarHBondContact O-N 3.46Å; N91-Q138 WeakPolarHBondContact CB-O 3.25Å; N91-Q138 WeakPolarHBondContact ND2-CB 3.33Å; N91-Q138 WeakPolarHBondContact ND2-CG 3.4Å; N91-Q138 PolarHBondContact ND2-OE1 2.72Å; N91-E141 PolarHBondContact OD1-OE2 3.44Å; N91-A142 HydrophobicContact CB-CB 3.9Å; N91-A142 WeakPolarHBondContact O-CB 3.43Å; N91-L169 WeakPolarHBondContact CA-O 3.41Å; N91-L169 PolarHBondContact ND2-O 3.13Å; N91-K170 WeakPolarHBondContact O-CA 3.29Å; N91-V171 PolarHBondContact O-N 2.82Å
92I98.3Very high94.9Very high0 Ų045.2 Ų45.20%025%0.252CS..BIsolated β-bridgetrans-119.9142.6170.8-65.6168.1000107.7F86 H89 S94 A142 A145 M146 K170 F174F86-I92 HydrophobicContact CB-CB 4.27Å; F86-I92 HydrophobicContact CB-CD1 3.75Å; F86-I92 HydrophobicContact CB-CG2 3.89Å; F86-I92 HydrophobicContact CD1-CD1 3.7Å; F86-I92 HydrophobicContact CD2-CD1 4.23Å; F86-I92 HydrophobicContact CE1-CD1 4.39Å; F86-I92 HydrophobicContact CG-CD1 3.61Å; H89-I92 HydrophobicContact CB-CB 4.19Å; H89-I92 HydrophobicContact CB-CD1 4.35Å; H89-I92 PolarHBondContact ND1-N 3.37Å; H89-I92 PolarHBondContact O-N 2.92Å; I92-S94 PolarHBondContact O-N 3.31Å; I92-A142 HydrophobicContact CG1-CB 3.95Å; I92-A145 HydrophobicContact CD1-CB 4.49Å; I92-M146 HydrophobicContact CD1-CG 3.97Å; I92-K170 PolarHBondContact O-NZ 2.93Å; I92-F174 HydrophobicContact CD1-CZ 4.48Å; I92-F174 HydrophobicContact CG1-CZ 4.33Å; I92-F174 HydrophobicContact CG2-CE2 3.79Å; I92-F174 HydrophobicContact CG2-CZ 3.54Å
93I97.6Very high94.4Very high4 Ų447 Ų472%0.02127%0.265CS..PPolyproline II helixtrans-62.4132.4-179.9-163.671.5000110.8L83 F109 E110 L162 K170 V171L83-I93 HydrophobicContact CD2-CG2 3.83Å; I93-F109 HydrophobicContact CG1-CB 4.08Å; I93-F109 HydrophobicContact CG1-CD1 3.9Å; I93-F109 HydrophobicContact CG1-CG 4.3Å; I93-F109 HydrophobicContact CG2-CD1 4.01Å; I93-F109 HydrophobicContact CG2-CE1 4.1Å; I93-E110 HydrophobicContact CD1-CG 3.42Å; I93-E110 VanDerWaalsContact CD1-CG 3.42Å; I93-E110 HydrophobicContact CG1-CG 4.17Å; I93-L162 HydrophobicContact CD1-CD1 4.36Å; I93-K170 HydrophobicContact CD1-CB 4.46Å; I93-K170 HydrophobicContact CD1-CD 4.35Å; I93-V171 WeakPolarHBondContact CB-O 3.44Å; I93-V171 PolarHBondContact N-O 3.04Å
94S95.9Very high94.2Very high19 Ų1950 Ų5013%0.13328%0.279CS..PPolyproline II helixtrans-86.1121.7-178.8-48.80000110.2I92 F109 E110I92-S94 PolarHBondContact O-N 3.31Å; S94-F109 WeakPolarHBondContact O-CA 3.41Å; S94-E110 WeakPolarHBondContact CA-OE1 3.5Å; S94-E110 WeakPolarHBondContact CB-OE1 3.42Å; S94-E110 PolarHBondContact N-OE1 3.49Å; S94-E110 PolarHBondContact O-N 2.97Å; S94-E110 VanDerWaalsContact O-N 3.1Å; S94-E110 PolarHBondContact OG-OE1 3.19Å
95L96.3Very high94Very high28 Ų2844.5 Ų44.515%0.14725%0.253CS..EExtended strand (participates in β ladder)trans-72.3126.8165-179.571.4000109.4I80 L83 Q84 I107 F109I80-L95 HydrophobicContact CG2-CD2 3.84Å; L83-L95 HydrophobicContact CB-CB 4.38Å; Q84-L95 HydrophobicContact CG-CD2 3.83Å; L95-I107 HydrophobicContact CD1-CG2 3.24Å; L95-F109 HydrophobicContact CD1-CE1 4.22Å
96Q95.6Very high93.9Very high73 Ų7340.8 Ų40.834%0.34124%0.235SC..EExtended strand (participates in β ladder)trans-100.6-56.1-178.5-66.6-68.5-24.200111.3F52 V108F52-Q96 HydrophobicContact CD1-CB 4.35Å; F52-Q96 HydrophobicContact CD1-CG 3.71Å; F52-Q96 HydrophobicContact CE1-CB 4.29Å; F52-Q96 HydrophobicContact CE1-CG 3.57Å; Q96-V108 HydrophobicContact CB-CB 4.35Å; Q96-V108 HydrophobicContact CB-CG1 4.09Å; Q96-V108 PolarHBondContact N-O 2.96Å
97D94.7Very high93.9Very high50 Ų5040.3 Ų40.327%0.26723%0.233SC..EExtended strand (participates in β ladder)trans-144.3158.4-178.5-69.9-57.4000110.2Y26 R45 Y99 V108Y26-D97 PolarHBondContact OH-OD2 3.5Å; R45-D97 IonicContact CZ-OD2 2.7Å; R45-D97 IonicContact NH2-OD2 3.54Å; R45-D97 PolarHBondContact NH2-OD2 3.16Å; D97-Y99 HydrophobicContact CB-CE2 3.67Å; D97-V108 HydrophobicContact CB-CB 4.05Å; D97-V108 HydrophobicContact CB-CG2 4.09Å; D97-V108 PolarHBondContact N-O 3.31Å; D97-V108 PolarHBondContact O-N 3.43Å
98F94.8Very high94Very high34 Ų3435.8 Ų35.815%0.14920%0.201CC..EExtended strand (participates in β ladder)trans-139132.7174.5169.7-112.6000109.5W14 L77 I80 E100 L105 F106 I107W14-F98 HydrophobicContact CH2-CD1 4.28Å; W14-F98 HydrophobicContact CH2-CE1 4.36Å; W14-F98 HydrophobicContact CZ3-CD1 4.38Å; W14-F98 HydrophobicContact CZ3-CE1 4.33Å; L77-F98 HydrophobicContact CD2-CE1 3.87Å; L77-F98 HydrophobicContact CD2-CZ 3.84Å; I80-F98 HydrophobicContact CD1-CD1 4.07Å; I80-F98 HydrophobicContact CD1-CD2 3.27Å; I80-F98 HydrophobicContact CD1-CE1 4.03Å; I80-F98 HydrophobicContact CD1-CE2 3.22Å; I80-F98 HydrophobicContact CD1-CG 3.69Å; I80-F98 HydrophobicContact CD1-CZ 3.62Å; I80-F98 HydrophobicContact CG1-CD2 4.34Å; F98-E100 HydrophobicContact CE1-CB 4.09Å; F98-E100 HydrophobicContact CZ-CB 3.96Å; F98-L105 HydrophobicContact CE2-CB 4.18Å; F98-L105 HydrophobicContact CE2-CD2 4.34Å; F98-L105 HydrophobicContact CZ-CD2 4.15Å; F98-F106 WeakPolarHBondContact CA-O 3.35Å; F98-F106 WeakPolarHBondContact CD2-O 3.29Å; F98-I107 HydrophobicContact CD2-CG1 4.12Å; F98-I107 HydrophobicContact CE2-CG1 4.4Å
99Y93.7Very high94.1Very high18 Ų1833.6 Ų33.67%0.07117%0.173CC..EExtended strand (participates in β ladder)trans-129.6137.4176.3-53.6-90.6000110.2E21 F22 N25 Y26 D97 F106 V108E21-Y99 HydrophobicContact CB-CD1 3.91Å; E21-Y99 HydrophobicContact CB-CE1 3.87Å; F22-Y99 HydrophobicContact CB-CD1 4.32Å; F22-Y99 HydrophobicContact CB-CD2 3.81Å; F22-Y99 HydrophobicContact CB-CE2 4.28Å; F22-Y99 HydrophobicContact CB-CG 3.83Å; F22-Y99 AromaticContact CD2-CD2 3.72Å; F22-Y99 HydrophobicContact CD2-CD2 3.72Å; F22-Y99 AromaticContact CD2-CE2 3.85Å; F22-Y99 HydrophobicContact CD2-CE2 3.85Å; F22-Y99 HydrophobicContact CG-CD2 4.22Å; N25-Y99 PolarHBondContact ND2-OH 3.2Å; Y26-Y99 HydrophobicContact CD2-CE2 4.21Å; Y26-Y99 AromaticContact CE2-CE2 3.91Å; Y26-Y99 HydrophobicContact CE2-CE2 3.91Å; D97-Y99 HydrophobicContact CB-CE2 3.67Å; Y99-F106 HydrophobicContact CD2-CB 4.37Å; Y99-F106 PolarHBondContact N-O 3.3Å; Y99-F106 PolarHBondContact O-N 3.26Å; Y99-V108 HydrophobicContact CD2-CG2 4.49Å; Y99-V108 HydrophobicContact CE2-CG2 4.23Å
100E90.5Very high94.1Very high20 Ų2033 Ų339%0.09317%0.171CC..EExtended strand (participates in β ladder)trans-116.2125.5-178.3177.5159-125.500110.9W14 Q18 R73 F98 L105W14-E100 HydrophobicContact CE3-CB 4.31Å; Q18-E100 WeakPolarHBondContact CB-O 3.42Å; Q18-E100 PolarHBondContact OE1-O 2.78Å; R73-E100 IonicContact CZ-OE1 2.74Å; R73-E100 IonicContact CZ-OE2 3.47Å; R73-E100 IonicContact NE-OE1 3.86Å; R73-E100 PolarHBondContact NE-OE1 2.95Å; R73-E100 IonicContact NE-OE2 2.59Å; R73-E100 IonicContact NH2-OE1 3.5Å; R73-E100 PolarHBondContact NH2-OE1 3.49Å; R73-E100 IonicContact NH2-OE2 3.39Å; R73-E100 PolarHBondContact NH2-OE2 3.39Å; F98-E100 HydrophobicContact CE1-CB 4.09Å; F98-E100 HydrophobicContact CZ-CB 3.96Å; E100-L105 HydrophobicContact CB-CD2 4.05Å; E100-L105 HydrophobicContact CG-CD2 3.62Å
101M86.4Confident94Very high37 Ų3728.6 Ų28.618%0.18215%0.152CC..  trans-118.8159.7172.4-66.3-176.550.600110.4A19 S103 F104 F106A19-M101 VanDerWaalsContact CA-CG 3.46Å; A19-M101 WeakPolarHBondContact CA-SD 3.4Å; A19-M101 HydrophobicContact CB-CE 3.21Å; A19-M101 HydrophobicContact CB-CG 3.62Å; A19-M101 HydrophobicContact CB-SD 3.32Å; A19-M101 WeakPolarHBondContact CB-SD 3.41Å; M101-S103 PolarHBondContact O-N 3.45Å; M101-S103 VanDerWaalsContact O-N 3.12Å; M101-F104 CarbonylContact C-O 3.6Å; M101-F104 WeakPolarHBondContact CA-O 3.21Å; M101-F104 HydrophobicContact CB-CB 4.36Å; M101-F104 VanDerWaalsContact CB-O 3.3Å; M101-F104 WeakPolarHBondContact CB-O 3.48Å; M101-F104 HydrophobicContact CE-CD2 4.42Å; M101-F104 PolarHBondContact N-O 2.76Å; M101-F104 PolarHBondContact O-N 2.88Å; M101-F104 VanDerWaalsContact O-O 3.08Å; M101-F106 HydrophobicContact CG-CE2 4Å; M101-F106 HydrophobicContact SD-CD2 4.39Å; M101-F106 HydrophobicContact SD-CE2 3.42Å; M101-F106 WeakPolarHBondContact SD-CE2 3.35Å; M101-F106 HydrophobicContact SD-CZ 4.02Å
102P84.4Confident93.9Very high116 Ų11629.1 Ų29.175%0.75316%0.158SC*.SBendtrans-53.9-33.4175.9-28.235.8000114.6
103S87Confident93.7Very high48 Ų4836.1 Ų36.134%0.33619%0.188SC..SBendtrans-111-10.8-176.2-59.30000114L59 M101L59-S103 WeakPolarHBondContact CB-O 3.2Å; L59-S103 PolarHBondContact N-O 3.29Å; M101-S103 PolarHBondContact O-N 3.45Å; M101-S103 VanDerWaalsContact O-N 3.12Å
104F90.8Very high93.5Very high65 Ų6537.6 Ų37.629%0.28520%0.204SC..EExtended strand (participates in β ladder)trans-147.6146.8-171.4-63-77.7000112I56 I57 D58 M101 F106I56-F104 HydrophobicContact CG2-CD1 4.12Å; I57-F104 CarbonylContact O-C 3.59Å; I57-F104 VanDerWaalsContact O-CA 3.24Å; I57-F104 WeakPolarHBondContact O-CA 3.27Å; D58-F104 HydrophobicContact CB-CD1 4.19Å; D58-F104 HydrophobicContact CB-CE1 3.93Å; M101-F104 CarbonylContact C-O 3.6Å; M101-F104 WeakPolarHBondContact CA-O 3.21Å; M101-F104 HydrophobicContact CB-CB 4.36Å; M101-F104 VanDerWaalsContact CB-O 3.3Å; M101-F104 WeakPolarHBondContact CB-O 3.48Å; M101-F104 HydrophobicContact CE-CD2 4.42Å; M101-F104 PolarHBondContact N-O 2.76Å; M101-F104 PolarHBondContact O-N 2.88Å; M101-F104 VanDerWaalsContact O-O 3.08Å; F104-F106 HydrophobicContact CB-CD2 4.34Å; F104-F106 HydrophobicContact CB-CE2 3.53Å; F104-F106 HydrophobicContact CB-CZ 3.92Å; F104-F106 HydrophobicContact CG-CE2 4.48Å; F104-F106 HydrophobicContact CG-CZ 4.45Å
105L93.2Very high93.4Very high0 Ų038 Ų380%021%0.212CC..EExtended strand (participates in β ladder)trans-114.1134.7166.7-54.9178.2000109.1I56 I57 L59 T76 F98 E100I56-L105 CarbonylContact C-O 3.56Å; I56-L105 WeakPolarHBondContact CA-O 3.44Å; I57-L105 HydrophobicContact CB-CB 4.2Å; I57-L105 PolarHBondContact N-O 2.78Å; I57-L105 PolarHBondContact O-N 3.13Å; L59-L105 HydrophobicContact CD1-CD1 4.31Å; L59-L105 HydrophobicContact CD1-CD2 3.96Å; L59-L105 HydrophobicContact CD1-CG 3.84Å; L59-L105 HydrophobicContact CD2-CD1 4.16Å; L59-L105 HydrophobicContact CD2-CG 4.27Å; L59-L105 HydrophobicContact CG-CG 4.17Å; T76-L105 HydrophobicContact CG2-CD1 3.59Å; F98-L105 HydrophobicContact CE2-CB 4.18Å; F98-L105 HydrophobicContact CE2-CD2 4.34Å; F98-L105 HydrophobicContact CZ-CD2 4.15Å; E100-L105 HydrophobicContact CB-CD2 4.05Å; E100-L105 HydrophobicContact CG-CD2 3.62Å
106F94.7Very high93.4Very high2 Ų240.1 Ų40.11%0.00922%0.221CC..EExtended strand (participates in β ladder)trans-116.6115.6177.8-59.6-100.9000109.2F22 Y23 V54 I56 F98 Y99 M101 F104F22-F106 HydrophobicContact CB-CG 4.41Å; F22-F106 AromaticContact CD1-CD1 3.53Å; F22-F106 HydrophobicContact CD1-CD1 3.53Å; F22-F106 AromaticContact CD1-CE1 3.68Å; F22-F106 HydrophobicContact CD1-CE1 3.68Å; F22-F106 HydrophobicContact CD1-CG 4.13Å; F22-F106 HydrophobicContact CD1-CZ 4.39Å; F22-F106 HydrophobicContact CD2-CB 4.17Å; F22-F106 HydrophobicContact CD2-CD1 4.24Å; F22-F106 HydrophobicContact CD2-CG 4.36Å; F22-F106 AromaticContact CE1-CD1 3.64Å; F22-F106 HydrophobicContact CE1-CD1 3.64Å; F22-F106 AromaticContact CE1-CE1 3.82Å; F22-F106 HydrophobicContact CE1-CE1 3.82Å; F22-F106 HydrophobicContact CE2-CD1 4.35Å; F22-F106 HydrophobicContact CG-CB 4.28Å; F22-F106 AromaticContact CG-CD1 3.85Å; F22-F106 HydrophobicContact CG-CD1 3.85Å; F22-F106 HydrophobicContact CG-CE1 4.38Å; F22-F106 HydrophobicContact CG-CG 4.01Å; F22-F106 HydrophobicContact CZ-CD1 4.07Å; Y23-F106 HydrophobicContact CE2-CE1 4.49Å; Y23-F106 HydrophobicContact CE2-CZ 4.24Å; V54-F106 HydrophobicContact CG2-CB 4.05Å; V54-F106 HydrophobicContact CG2-CD1 4.08Å; I56-F106 HydrophobicContact CB-CD1 4.48Å; I56-F106 HydrophobicContact CB-CE1 4.48Å; I56-F106 HydrophobicContact CD1-CD1 4.33Å; I56-F106 HydrophobicContact CD1-CE1 4.07Å; I56-F106 HydrophobicContact CG1-CD1 3.83Å; I56-F106 HydrophobicContact CG1-CE1 3.96Å; I56-F106 HydrophobicContact CG2-CD1 4.17Å; I56-F106 HydrophobicContact CG2-CE1 3.8Å; I56-F106 HydrophobicContact CG2-CZ 4.18Å; F98-F106 WeakPolarHBondContact CA-O 3.35Å; F98-F106 WeakPolarHBondContact CD2-O 3.29Å; Y99-F106 HydrophobicContact CD2-CB 4.37Å; Y99-F106 PolarHBondContact N-O 3.3Å; Y99-F106 PolarHBondContact O-N 3.26Å; M101-F106 HydrophobicContact CG-CE2 4Å; M101-F106 HydrophobicContact SD-CD2 4.39Å; M101-F106 HydrophobicContact SD-CE2 3.42Å; M101-F106 WeakPolarHBondContact SD-CE2 3.35Å; M101-F106 HydrophobicContact SD-CZ 4.02Å; F104-F106 HydrophobicContact CB-CD2 4.34Å; F104-F106 HydrophobicContact CB-CE2 3.53Å; F104-F106 HydrophobicContact CB-CZ 3.92Å; F104-F106 HydrophobicContact CG-CE2 4.48Å; F104-F106 HydrophobicContact CG-CZ 4.45Å
107I95.5Very high93.5Very high0 Ų036.7 Ų36.70%021%0.205CC..EExtended strand (participates in β ladder)trans-113.1112.9178.9-42.7177.7000107.8V54 K55 I57 T76 I80 L95 F98 F109V54-I107 CarbonylContact C-O 3.57Å; V54-I107 WeakPolarHBondContact CA-O 3.43Å; K55-I107 HydrophobicContact CB-CB 4.33Å; K55-I107 PolarHBondContact N-O 2.88Å; K55-I107 PolarHBondContact O-N 3.45Å; I57-I107 HydrophobicContact CD1-CD1 3.88Å; T76-I107 HydrophobicContact CG2-CD1 3.65Å; I80-I107 HydrophobicContact CD1-CD1 4.35Å; I80-I107 HydrophobicContact CD1-CG1 4.44Å; I80-I107 HydrophobicContact CG1-CD1 4.36Å; I80-I107 HydrophobicContact CG1-CG2 4.49Å; L95-I107 HydrophobicContact CD1-CG2 3.24Å; F98-I107 HydrophobicContact CD2-CG1 4.12Å; F98-I107 HydrophobicContact CE2-CG1 4.4Å; I107-F109 HydrophobicContact CB-CE2 3.71Å; I107-F109 HydrophobicContact CB-CZ 4.09Å; I107-F109 HydrophobicContact CG2-CD2 4.22Å; I107-F109 HydrophobicContact CG2-CE1 4.06Å; I107-F109 HydrophobicContact CG2-CE2 3.4Å; I107-F109 VanDerWaalsContact CG2-CE2 3.4Å; I107-F109 HydrophobicContact CG2-CZ 3.31Å; I107-F109 WeakPolarHBondContact O-CD2 3.49Å
108V97Very high93.6Very high0 Ų038.3 Ų38.30%021%0.21CC..EExtended strand (participates in β ladder)trans-96.3126.3-177-172.60000109.2F22 Y26 F52 A53 V54 Q96 D97 Y99F22-V108 HydrophobicContact CD2-CG2 4.33Å; F22-V108 HydrophobicContact CE2-CG2 4.04Å; Y26-V108 HydrophobicContact CE1-CG1 4.01Å; Y26-V108 HydrophobicContact CE2-CG2 4.24Å; F52-V108 HydrophobicContact CB-CG1 3.73Å; F52-V108 HydrophobicContact CD1-CG1 4.36Å; F52-V108 HydrophobicContact CG-CG1 4.05Å; A53-V108 CarbonylContact O-C 3.55Å; V54-V108 HydrophobicContact CG2-CG2 4.22Å; Q96-V108 HydrophobicContact CB-CB 4.35Å; Q96-V108 HydrophobicContact CB-CG1 4.09Å; Q96-V108 PolarHBondContact N-O 2.96Å; D97-V108 HydrophobicContact CB-CB 4.05Å; D97-V108 HydrophobicContact CB-CG2 4.09Å; D97-V108 PolarHBondContact N-O 3.31Å; D97-V108 PolarHBondContact O-N 3.43Å; Y99-V108 HydrophobicContact CD2-CG2 4.49Å; Y99-V108 HydrophobicContact CE2-CG2 4.23Å
109F97.2Very high93.6Very high18 Ų1840.7 Ų40.78%0.07922%0.224CC..EExtended strand (participates in β ladder)trans-120.5159.3-179.5-62.4-82.5000110.9F52 A53 K55 L83 I93 S94 L95 I107F52-F109 WeakPolarHBondContact CA-O 3.38Å; F52-F109 WeakPolarHBondContact CB-O 3.39Å; F52-F109 WeakPolarHBondContact CD1-O 3.43Å; A53-F109 PolarHBondContact N-O 3.03Å; A53-F109 PolarHBondContact O-N 2.89Å; K55-F109 HydrophobicContact CB-CD2 4.44Å; K55-F109 HydrophobicContact CB-CE2 3.9Å; K55-F109 HydrophobicContact CD-CE2 4.35Å; L83-F109 HydrophobicContact CD1-CE1 3.67Å; L83-F109 HydrophobicContact CD1-CZ 4Å; L83-F109 HydrophobicContact CD2-CE1 4.47Å; I93-F109 HydrophobicContact CG1-CB 4.08Å; I93-F109 HydrophobicContact CG1-CD1 3.9Å; I93-F109 HydrophobicContact CG1-CG 4.3Å; I93-F109 HydrophobicContact CG2-CD1 4.01Å; I93-F109 HydrophobicContact CG2-CE1 4.1Å; S94-F109 WeakPolarHBondContact O-CA 3.41Å; L95-F109 HydrophobicContact CD1-CE1 4.22Å; I107-F109 HydrophobicContact CB-CE2 3.71Å; I107-F109 HydrophobicContact CB-CZ 4.09Å; I107-F109 HydrophobicContact CG2-CD2 4.22Å; I107-F109 HydrophobicContact CG2-CE1 4.06Å; I107-F109 HydrophobicContact CG2-CE2 3.4Å; I107-F109 VanDerWaalsContact CG2-CE2 3.4Å; I107-F109 HydrophobicContact CG2-CZ 3.31Å; I107-F109 WeakPolarHBondContact O-CD2 3.49Å
110E95.8Very high93.6Very high35 Ų3541.5 Ų41.516%0.16423%0.227CC..EExtended strand (participates in β ladder)trans-55.7144.2162.770-176.6115.900111.2I93 S94 K170I93-E110 HydrophobicContact CD1-CG 3.42Å; I93-E110 VanDerWaalsContact CD1-CG 3.42Å; I93-E110 HydrophobicContact CG1-CG 4.17Å; S94-E110 WeakPolarHBondContact CA-OE1 3.5Å; S94-E110 WeakPolarHBondContact CB-OE1 3.42Å; S94-E110 PolarHBondContact N-OE1 3.49Å; S94-E110 PolarHBondContact O-N 2.97Å; S94-E110 VanDerWaalsContact O-N 3.1Å; S94-E110 PolarHBondContact OG-OE1 3.19Å; E110-K170 VanDerWaalsContact CD-CD 3.4Å; E110-K170 VanDerWaalsContact CD-CE 3.41Å; E110-K170 HydrophobicContact CG-CD 4.41Å; E110-K170 WeakPolarHBondContact OE1-CD 3.39Å; E110-K170 WeakPolarHBondContact OE1-CE 3.37Å; E110-K170 IonicContact OE1-NZ 3.06Å; E110-K170 PolarHBondContact OE1-NZ 3.1Å; E110-K170 WeakPolarHBondContact OE2-CD 3.3Å; E110-K170 WeakPolarHBondContact OE2-CE 3.47Å; E110-K170 IonicContact OE2-NZ 3.6Å
111L96.5Very high93.8Very high29 Ų2941.3 Ų41.315%0.15223%0.227CC..  trans-84.5120179.6179.964.7000111.3L32 R42 E51 A53 K113L32-L111 HydrophobicContact CD1-CD1 3.6Å; R42-L111 HydrophobicContact CG-CD2 4.07Å; E51-L111 HydrophobicContact CB-CD2 3.8Å; A53-L111 HydrophobicContact CB-CD1 4.06Å; L111-K113 HydrophobicContact CD2-CG 4.19Å; L111-K113 HydrophobicContact CG-CG 4.2Å; L111-K113 PolarHBondContact O-N 3.14Å
112A95.5Very high94.3Very high16 Ų1643.9 Ų43.913%0.13225%0.245CC..  trans-91.197.6172.400000111.8G114 G115 L162 M163 L164A112-G114 VanDerWaalsContact C-N 3.32Å; A112-G114 PolarHBondContact O-N 2.92Å; A112-G115 PolarHBondContact O-N 2.81Å; A112-L162 HydrophobicContact CB-CB 3.57Å; A112-L162 HydrophobicContact CB-CD1 3.88Å; A112-L162 HydrophobicContact CB-CG 4.29Å; A112-M163 CarbonylContact C-O 3.36Å; A112-L164 HydrophobicContact CB-CD2 3.78Å
113K93.7Very high94.7Very high147 Ų14746 Ų4664%0.63924%0.238SC*.THydrogen-bonded Turntrans-71.8-22.1-171.4-64.4-172.5175.6-166.10114.5E51 L111 G115E51-K113 VanDerWaalsContact OE2-CE 3.29Å; E51-K113 WeakPolarHBondContact OE2-CE 3.36Å; E51-K113 IonicContact OE2-NZ 3Å; E51-K113 PolarHBondContact OE2-NZ 2.96Å; L111-K113 HydrophobicContact CD2-CG 4.19Å; L111-K113 HydrophobicContact CG-CG 4.2Å; L111-K113 PolarHBondContact O-N 3.14Å; K113-G115 VanDerWaalsContact C-N 3.27Å; K113-G115 PolarHBondContact O-N 2.74Å
114G94.1Very high95Very high35 Ų3546.3 Ų46.336%0.36124%0.237SC..THydrogen-bonded Turntrans-78.1-7.9177.700000114.3A112 M163A112-G114 VanDerWaalsContact C-N 3.32Å; A112-G114 PolarHBondContact O-N 2.92Å; G114-M163 CarbonylContact C-O 3.54Å; G114-M163 WeakPolarHBondContact CA-O 3.43Å; G114-M163 PolarHBondContact N-O 3.34Å
115G94.8Very high95Very high28 Ų2848.7 Ų48.729%0.28926%0.257SS..EExtended strand (participates in β ladder)trans74.1-158.6178.900000113.2A112 K113 L162 M163A112-G115 PolarHBondContact O-N 2.81Å; K113-G115 VanDerWaalsContact C-N 3.27Å; K113-G115 PolarHBondContact O-N 2.74Å; G115-L162 CarbonylContact O-C 3.55Å; G115-L162 WeakPolarHBondContact O-CA 3.45Å; G115-M163 PolarHBondContact N-O 3.5Å; G115-M163 PolarHBondContact O-N 3.09Å
116E96.1Very high94.9Very high72 Ų7253.6 Ų53.634%0.33629%0.287SS..EExtended strand (participates in β ladder)trans-79.6145.1-178.3-61.9175.5-16500111.6F118 D119 Y120 L162E116-F118 HydrophobicContact CB-CB 4.41Å; E116-F118 PolarHBondContact O-N 3.1Å; E116-D119 PolarHBondContact O-N 3.48Å; E116-Y120 PolarHBondContact O-N 3.29Å; E116-L162 HydrophobicContact CG-CD2 3.82Å
117L96.7Very high94.8Very high1 Ų154.3 Ų54.31%0.00529%0.292CS..Hα-helixtrans-63.8-27.5173.6-177.963.1000111.4Y120 L121 I135 L158 I161 M163 L228L117-Y120 HydrophobicContact CD1-CD1 4.02Å; L117-Y120 HydrophobicContact CD1-CG 4.47Å; L117-Y120 WeakPolarHBondContact O-CB 3.12Å; L117-Y120 PolarHBondContact O-N 2.8Å; L117-L121 PolarHBondContact O-N 3.48Å; L117-I135 HydrophobicContact CD1-CD1 4.06Å; L117-I135 HydrophobicContact CD2-CG2 3.74Å; L117-L158 WeakPolarHBondContact CB-O 3.05Å; L117-L158 HydrophobicContact CD2-CD2 3.7Å; L117-L158 HydrophobicContact CG-CD2 3.96Å; L117-L158 PolarHBondContact N-O 3.2Å; L117-I161 HydrophobicContact CB-CB 4.03Å; L117-I161 HydrophobicContact CB-CG2 4.07Å; L117-I161 VanDerWaalsContact CB-O 3.31Å; L117-I161 WeakPolarHBondContact CB-O 3.34Å; L117-I161 HydrophobicContact CD2-CB 4.1Å; L117-I161 HydrophobicContact CD2-CD1 4.1Å; L117-I161 HydrophobicContact CD2-CG2 3.83Å; L117-I161 PolarHBondContact N-O 3.25Å; L117-M163 HydrophobicContact CD1-SD 4.17Å; L117-L228 HydrophobicContact CD2-CD2 4.25Å; L117-L228 HydrophobicContact CG-CD2 4.45Å
118F96.2Very high94.8Very high84 Ų8457.9 Ų57.937%0.36832%0.317SS..Hα-helixtrans-58.7-47.7172-178.6-93.8000112.5E116 Y120 L121 T122 L158 E159E116-F118 HydrophobicContact CB-CB 4.41Å; E116-F118 PolarHBondContact O-N 3.1Å; F118-Y120 VanDerWaalsContact C-N 3.3Å; F118-Y120 PolarHBondContact O-N 3.5Å; F118-L121 PolarHBondContact O-N 3.09Å; F118-T122 WeakPolarHBondContact O-CB 3.4Å; F118-T122 PolarHBondContact O-N 3.49Å; F118-T122 PolarHBondContact O-OG1 3.48Å; F118-L158 HydrophobicContact CB-CB 3.85Å; F118-L158 HydrophobicContact CD2-CB 4.26Å; F118-L158 HydrophobicContact CD2-CD1 4.38Å; F118-L158 PolarHBondContact N-O 3.28Å; F118-E159 HydrophobicContact CB-CG 3.95Å; F118-E159 HydrophobicContact CD2-CG 4.28Å; F118-E159 HydrophobicContact CG-CG 4.05Å
119D95Very high94.8Very high84 Ų8464.7 Ų64.745%0.44935%0.349SS..Hα-helixtrans-65.2-36.9177.6-71-30.1000111.6E116 R123E116-D119 PolarHBondContact O-N 3.48Å; D119-R123 WeakPolarHBondContact O-CB 3.42Å; D119-R123 PolarHBondContact O-N 3.33Å; D119-R123 VanDerWaalsContact O-N 3.14Å
120Y94.9Very high94.8Very high34 Ų3471.8 Ų71.813%0.13338%0.38CS..Hα-helixtrans-60.7-52.2173176-91.8000111.3E116 L117 F118 T122 R123 V124 K131 M163E116-Y120 PolarHBondContact O-N 3.29Å; L117-Y120 HydrophobicContact CD1-CD1 4.02Å; L117-Y120 HydrophobicContact CD1-CG 4.47Å; L117-Y120 WeakPolarHBondContact O-CB 3.12Å; L117-Y120 PolarHBondContact O-N 2.8Å; F118-Y120 VanDerWaalsContact C-N 3.3Å; F118-Y120 PolarHBondContact O-N 3.5Å; Y120-T122 VanDerWaalsContact C-N 3.33Å; Y120-T122 PolarHBondContact O-N 3.35Å; Y120-R123 VanDerWaalsContact CD2-NH2 3.35Å; Y120-R123 WeakPolarHBondContact O-CB 3.42Å; Y120-R123 PolarHBondContact O-N 3.39Å; Y120-R123 VanDerWaalsContact O-N 3.12Å; Y120-V124 HydrophobicContact CD1-CG2 4.13Å; Y120-V124 HydrophobicContact CE1-CG1 4.26Å; Y120-V124 HydrophobicContact CE1-CG2 3.77Å; Y120-V124 HydrophobicContact CE2-CG1 4.12Å; Y120-V124 WeakPolarHBondContact O-CG2 3.34Å; Y120-V124 PolarHBondContact O-N 2.9Å; Y120-K131 WeakPolarHBondContact OH-CE 3.19Å; Y120-M163 VanDerWaalsContact CB-SD 3.55Å; Y120-M163 HydrophobicContact CD1-SD 4.42Å; Y120-M163 HydrophobicContact CD2-CE 3.97Å; Y120-M163 HydrophobicContact CD2-SD 3.75Å; Y120-M163 HydrophobicContact CE2-CE 4.35Å; Y120-M163 HydrophobicContact CG-CE 4.39Å; Y120-M163 HydrophobicContact CG-SD 3.65Å
121L95.3Very high94.7Very high16 Ų1672 Ų728%0.08438%0.38CS..Hα-helixtrans-61.7-42.5-179.4-175.964.2000111.4L117 F118 R123 V124 V125 L158 T227 L228L117-L121 PolarHBondContact O-N 3.48Å; F118-L121 PolarHBondContact O-N 3.09Å; L121-R123 PolarHBondContact O-N 2.9Å; L121-V124 HydrophobicContact CD1-CG2 4.44Å; L121-V124 PolarHBondContact O-N 3.44Å; L121-V125 WeakPolarHBondContact O-CA 3.41Å; L121-V125 PolarHBondContact O-N 3.29Å; L121-L158 HydrophobicContact CD2-CD1 3.52Å; L121-T227 HydrophobicContact CD2-CG2 3.86Å; L121-L228 HydrophobicContact CD1-CD2 4.38Å; L121-L228 HydrophobicContact CD2-CD2 4.43Å
122T95.1Very high94.8Very high92 Ų9271.1 Ų71.156%0.56438%0.376SS*.Hα-helixtrans-56.6-37.7175.8-61.10000111.8F118 Y120F118-T122 WeakPolarHBondContact O-CB 3.4Å; F118-T122 PolarHBondContact O-N 3.49Å; F118-T122 PolarHBondContact O-OG1 3.48Å; Y120-T122 VanDerWaalsContact C-N 3.33Å; Y120-T122 PolarHBondContact O-N 3.35Å
123R94.1Very high94.8Very high160 Ų16077.4 Ų77.460%0.60440%0.396SS*.Hα-helixtrans-73.8-39.2178.3-179.4173.863.7-107.99.4113.3D119 Y120 L121D119-R123 WeakPolarHBondContact O-CB 3.42Å; D119-R123 PolarHBondContact O-N 3.33Å; D119-R123 VanDerWaalsContact O-N 3.14Å; Y120-R123 VanDerWaalsContact CD2-NH2 3.35Å; Y120-R123 WeakPolarHBondContact O-CB 3.42Å; Y120-R123 PolarHBondContact O-N 3.39Å; Y120-R123 VanDerWaalsContact O-N 3.12Å; L121-R123 PolarHBondContact O-N 2.9Å
124V93.4Very high95Very high55 Ų5574.6 Ų74.633%0.33338%0.382SS..Hα-helixtrans-93.8-9.4-175.8-56.20000114Y120 L121 T126Y120-V124 HydrophobicContact CD1-CG2 4.13Å; Y120-V124 HydrophobicContact CE1-CG1 4.26Å; Y120-V124 HydrophobicContact CE1-CG2 3.77Å; Y120-V124 HydrophobicContact CE2-CG1 4.12Å; Y120-V124 WeakPolarHBondContact O-CG2 3.34Å; Y120-V124 PolarHBondContact O-N 2.9Å; L121-V124 HydrophobicContact CD1-CG2 4.44Å; L121-V124 PolarHBondContact O-N 3.44Å; V124-T126 PolarHBondContact O-N 3.44Å
125V91.1Very high95.1Very high115 Ų11573 Ų7370%0.69737%0.365SS*.SBendtrans68.4-49.3-176.6-172.50000113.7L121L121-V125 WeakPolarHBondContact O-CA 3.41Å; L121-V125 PolarHBondContact O-N 3.29Å
126T91.1Very high95.3Very high102 Ų10272 Ų7263%0.62635%0.353SS*.SBendtrans-143.9153.8175.957.50000111.2V124V124-T126 PolarHBondContact O-N 3.44Å
127C92Very high95.4Very high17 Ų1774.6 Ų74.612%0.11536%0.363CS..  trans-95.1140.3171.9-72.50000111.1K131 T132 L228C127-K131 HydrophobicContact CB-CB 4.34Å; C127-K131 HydrophobicContact CB-CG 4.38Å; C127-T132 VanDerWaalsContact CB-OG1 3.22Å; C127-T132 WeakPolarHBondContact CB-OG1 3.43Å; C127-L228 HydrophobicContact CB-CB 4.37Å; C127-L228 WeakPolarHBondContact CB-O 3.25Å; C127-L228 PolarHBondContact N-O 2.69Å
128S95.4Very high95.5Very high75 Ų7575.3 Ų75.352%0.52437%0.367SS..  trans-65.1150.8165.568.10000110.2K130 K131 T132S128-K130 PolarHBondContact O-N 3.22Å; S128-K131 WeakPolarHBondContact O-CA 3.3Å; S128-K131 PolarHBondContact O-N 3.34Å; S128-K131 PolarHBondContact OG-N 3.25Å; S128-T132 PolarHBondContact O-N 3.14Å; S128-T132 PolarHBondContact O-OG1 2.86Å
129E97.2Very high95.6Very high143 Ų14371.6 Ų71.667%0.66835%0.351SS*.Hα-helixtrans-50.7-37.1175.6-169.5-161.8138.700112.3K131 T132 R133E129-K131 PolarHBondContact O-N 3.12Å; E129-T132 PolarHBondContact O-N 3.4Å; E129-R133 VanDerWaalsContact O-CB 3.25Å; E129-R133 WeakPolarHBondContact O-CB 3.13Å; E129-R133 PolarHBondContact O-N 3.15Å; E129-R133 IonicContact OE1-CZ 3.82Å; E129-R133 IonicContact OE1-NH2 2.69Å; E129-R133 PolarHBondContact OE1-NH2 3.2Å
130K96.4Very high95.8Very high167 Ų16771.4 Ų71.473%0.72635%0.346SS*.Hα-helixtrans-61.6-43.7176.3-175.6179.6176.8-176.40112S128 Y134S128-K130 PolarHBondContact O-N 3.22Å; K130-Y134 PolarHBondContact O-N 3.04Å
131K94.8Very high96Very high40 Ų4072.4 Ų72.417%0.17435%0.352CS..Hα-helixtrans-71.5-44.7177.5-176.467.2177.3-169.20110.5Y120 C127 S128 E129 R133 Y134 I135 D166Y120-K131 WeakPolarHBondContact OH-CE 3.19Å; C127-K131 HydrophobicContact CB-CB 4.34Å; C127-K131 HydrophobicContact CB-CG 4.38Å; S128-K131 WeakPolarHBondContact O-CA 3.3Å; S128-K131 PolarHBondContact O-N 3.34Å; S128-K131 PolarHBondContact OG-N 3.25Å; E129-K131 PolarHBondContact O-N 3.12Å; K131-R133 PolarHBondContact O-N 2.68Å; K131-Y134 WeakPolarHBondContact O-CB 3.45Å; K131-Y134 PolarHBondContact O-N 2.97Å; K131-Y134 VanDerWaalsContact O-N 3.09Å; K131-I135 HydrophobicContact CD-CD1 4.38Å; K131-I135 HydrophobicContact CG-CD1 3.85Å; K131-I135 HydrophobicContact CG-CG1 4.47Å; K131-I135 WeakPolarHBondContact O-CG1 3.44Å; K131-I135 PolarHBondContact O-N 3.38Å; K131-D166 PolarHBondContact NZ-O 3.38Å
132T96.8Very high96.1Very high10 Ų1071.7 Ų71.76%0.06135%0.348CS..Hα-helixtrans-57.9-45.9176.7-55.10000111.3C127 S128 E129 Y134 I135 M136 M225 L228C127-T132 VanDerWaalsContact CB-OG1 3.22Å; C127-T132 WeakPolarHBondContact CB-OG1 3.43Å; S128-T132 PolarHBondContact O-N 3.14Å; S128-T132 PolarHBondContact O-OG1 2.86Å; E129-T132 PolarHBondContact O-N 3.4Å; T132-Y134 PolarHBondContact O-N 3.01Å; T132-I135 PolarHBondContact O-N 3.25Å; T132-M136 HydrophobicContact CG2-CG 4.01Å; T132-M136 WeakPolarHBondContact O-CB 3.44Å; T132-M136 VanDerWaalsContact O-CG 3.29Å; T132-M136 WeakPolarHBondContact O-CG 3.49Å; T132-M136 PolarHBondContact O-N 3.44Å; T132-M225 HydrophobicContact CG2-CG 4.2Å; T132-L228 HydrophobicContact CG2-CB 3.89Å; T132-L228 HydrophobicContact CG2-CD1 4.17Å
133R97.5Very high96.3Very high148 Ų14867.4 Ų67.456%0.55832%0.322SS*.Hα-helixtrans-55.4-40.9175.5-175.4-173.6-57.1136.62.3112.5E129 K131 K137E129-R133 VanDerWaalsContact O-CB 3.25Å; E129-R133 WeakPolarHBondContact O-CB 3.13Å; E129-R133 PolarHBondContact O-N 3.15Å; E129-R133 IonicContact OE1-CZ 3.82Å; E129-R133 IonicContact OE1-NH2 2.69Å; E129-R133 PolarHBondContact OE1-NH2 3.2Å; K131-R133 PolarHBondContact O-N 2.68Å; R133-K137 VanDerWaalsContact O-CB 3.28Å; R133-K137 WeakPolarHBondContact O-CB 3.3Å; R133-K137 PolarHBondContact O-N 2.95Å
134Y96.4Very high96.5Very high88 Ų8862.6 Ų62.635%0.34532%0.316SS..Hα-helixtrans-73.5-39.5-178.2-179.1-98.3000112.6K130 K131 T132 Q138 E167K130-Y134 PolarHBondContact O-N 3.04Å; K131-Y134 WeakPolarHBondContact O-CB 3.45Å; K131-Y134 PolarHBondContact O-N 2.97Å; K131-Y134 VanDerWaalsContact O-N 3.09Å; T132-Y134 PolarHBondContact O-N 3.01Å; Y134-Q138 PolarHBondContact O-N 2.72Å; Y134-Q138 PolarHBondContact O-NE2 3.37Å; Y134-E167 HydrophobicContact CE1-CB 4.35Å; Y134-E167 WeakPolarHBondContact CE1-O 3.38Å; Y134-E167 VanDerWaalsContact OH-C 3.22Å; Y134-E167 WeakPolarHBondContact OH-CA 3.47Å; Y134-E167 VanDerWaalsContact OH-CB 3.27Å; Y134-E167 WeakPolarHBondContact OH-CB 3.41Å; Y134-E167 PolarHBondContact OH-O 3.06Å
135I97.5Very high96.8Very high2 Ų260.8 Ų60.81%0.0131%0.307CS..Hα-helixtrans-62-54.2172.3-67.5163.5000110L117 K131 T132 K137 Q138 L139 L169 L228L117-I135 HydrophobicContact CD1-CD1 4.06Å; L117-I135 HydrophobicContact CD2-CG2 3.74Å; K131-I135 HydrophobicContact CD-CD1 4.38Å; K131-I135 HydrophobicContact CG-CD1 3.85Å; K131-I135 HydrophobicContact CG-CG1 4.47Å; K131-I135 WeakPolarHBondContact O-CG1 3.44Å; K131-I135 PolarHBondContact O-N 3.38Å; T132-I135 PolarHBondContact O-N 3.25Å; I135-K137 VanDerWaalsContact C-N 3.33Å; I135-K137 PolarHBondContact O-N 2.87Å; I135-Q138 PolarHBondContact O-N 3.03Å; I135-Q138 VanDerWaalsContact O-N 3.16Å; I135-L139 PolarHBondContact O-N 2.98Å; I135-L169 HydrophobicContact CB-CD1 3.91Å; I135-L169 HydrophobicContact CG1-CD1 3.91Å; I135-L169 HydrophobicContact CG2-CD1 3.71Å; I135-L228 HydrophobicContact CB-CD1 4.22Å; I135-L228 HydrophobicContact CD1-CD1 4.31Å; I135-L228 HydrophobicContact CD1-CD2 4.14Å; I135-L228 HydrophobicContact CG2-CD1 3.61Å
136M98.4Very high97.1Very high6 Ų655.3 Ų55.33%0.0327%0.274CS..Hα-helixtrans-64.2-35.9-175.9-69-52.5-57.300112.6T132 Q138 L139 F140 C221 I224 M225 L228T132-M136 HydrophobicContact CG2-CG 4.01Å; T132-M136 WeakPolarHBondContact O-CB 3.44Å; T132-M136 VanDerWaalsContact O-CG 3.29Å; T132-M136 WeakPolarHBondContact O-CG 3.49Å; T132-M136 PolarHBondContact O-N 3.44Å; M136-Q138 VanDerWaalsContact C-N 3.32Å; M136-Q138 PolarHBondContact O-N 3.5Å; M136-L139 HydrophobicContact CE-CD2 3.93Å; M136-L139 PolarHBondContact O-N 2.96Å; M136-L139 HydrophobicContact SD-CD2 4.14Å; M136-F140 HydrophobicContact CB-CD2 4.31Å; M136-F140 HydrophobicContact CB-CE2 3.99Å; M136-F140 HydrophobicContact CE-CE1 3.89Å; M136-F140 HydrophobicContact CE-CE2 3.88Å; M136-F140 HydrophobicContact CE-CZ 3.47Å; M136-F140 VanDerWaalsContact CE-CZ 3.47Å; M136-F140 WeakPolarHBondContact O-CB 3.09Å; M136-F140 WeakPolarHBondContact O-CD2 3.1Å; M136-F140 VanDerWaalsContact O-CG 3.28Å; M136-F140 WeakPolarHBondContact O-CG 3.29Å; M136-F140 PolarHBondContact O-N 3.31Å; M136-C221 HydrophobicContact CE-CB 4.15Å; M136-C221 WeakPolarHBondContact CE-O 3.27Å; M136-I224 HydrophobicContact SD-CG2 4.03Å; M136-M225 HydrophobicContact CE-CB 3.84Å; M136-M225 HydrophobicContact CE-CG 4.49Å; M136-M225 HydrophobicContact CG-CB 4.15Å; M136-M225 HydrophobicContact CG-CG 3.97Å; M136-M225 HydrophobicContact CG-SD 4.3Å; M136-M225 HydrophobicContact SD-CB 3.79Å; M136-M225 HydrophobicContact SD-CG 4.3Å; M136-L228 HydrophobicContact CG-CD1 4.43Å; M136-L228 HydrophobicContact SD-CD1 3.97Å
137K98.4Very high97.4Very high127 Ų12752.2 Ų52.255%0.55225%0.252SS*.Hα-helixtrans-56.8-47.4174.1-179.5-178.7175.7-1760111.5R133 I135 F140 E141R133-K137 VanDerWaalsContact O-CB 3.28Å; R133-K137 WeakPolarHBondContact O-CB 3.3Å; R133-K137 PolarHBondContact O-N 2.95Å; I135-K137 VanDerWaalsContact C-N 3.33Å; I135-K137 PolarHBondContact O-N 2.87Å; K137-F140 PolarHBondContact O-N 3.44Å; K137-E141 VanDerWaalsContact CE-OE1 3.3Å; K137-E141 WeakPolarHBondContact CE-OE1 3.2Å; K137-E141 VanDerWaalsContact O-CG 3.3Å; K137-E141 WeakPolarHBondContact O-CG 3.12Å; K137-E141 PolarHBondContact O-N 3.26Å
138Q98.5Very high97.7Very high17 Ų1759.4 Ų59.48%0.07928%0.284CS..Hα-helixtrans-68.2-38.6-179.8-73.4-175.887.700112.3N91 Y134 I135 M136 E141 A142 E167 L169N91-Q138 WeakPolarHBondContact CB-O 3.25Å; N91-Q138 WeakPolarHBondContact ND2-CB 3.33Å; N91-Q138 WeakPolarHBondContact ND2-CG 3.4Å; N91-Q138 PolarHBondContact ND2-OE1 2.72Å; Y134-Q138 PolarHBondContact O-N 2.72Å; Y134-Q138 PolarHBondContact O-NE2 3.37Å; I135-Q138 PolarHBondContact O-N 3.03Å; I135-Q138 VanDerWaalsContact O-N 3.16Å; M136-Q138 VanDerWaalsContact C-N 3.32Å; M136-Q138 PolarHBondContact O-N 3.5Å; Q138-E141 PolarHBondContact O-N 3.34Å; Q138-A142 PolarHBondContact O-N 3.3Å; Q138-E167 PolarHBondContact NE2-O 3.28Å; Q138-E167 PolarHBondContact OE1-O 3.17Å; Q138-L169 HydrophobicContact CB-CB 4.35Å; Q138-L169 HydrophobicContact CB-CD1 4.35Å
139L98.6Very high97.8Very high6 Ų660.4 Ų60.43%0.03128%0.279CS..Hα-helixtrans-61.8-46.8173.6179.858.1000111I135 M136 E141 A142 V143 L156 I161 V171 I224I135-L139 PolarHBondContact O-N 2.98Å; M136-L139 HydrophobicContact CE-CD2 3.93Å; M136-L139 PolarHBondContact O-N 2.96Å; M136-L139 HydrophobicContact SD-CD2 4.14Å; L139-E141 VanDerWaalsContact C-N 3.33Å; L139-E141 PolarHBondContact O-N 3.24Å; L139-A142 WeakPolarHBondContact O-CB 3.31Å; L139-A142 PolarHBondContact O-N 3.03Å; L139-A142 VanDerWaalsContact O-N 3.14Å; L139-V143 HydrophobicContact CD1-CG2 4.22Å; L139-V143 HydrophobicContact CG-CG2 4.47Å; L139-V143 WeakPolarHBondContact O-CG2 3.48Å; L139-V143 PolarHBondContact O-N 3.36Å; L139-L156 HydrophobicContact CD1-CD2 4.26Å; L139-I161 HydrophobicContact CD1-CD1 4.04Å; L139-I161 HydrophobicContact CD1-CG1 4.46Å; L139-I161 HydrophobicContact CD2-CD1 4.01Å; L139-V171 HydrophobicContact CD1-CG2 3.79Å; L139-I224 HydrophobicContact CD2-CD1 3.87Å; L139-I224 HydrophobicContact CD2-CG2 4.12Å
140F98.7Very high97.8Very high80 Ų8057 Ų5735%0.35127%0.265SS..Hα-helixtrans-64.7-34.6176.7-67.9-43.3000112.9M136 K137 A142 V143 A144 M218 C221M136-F140 HydrophobicContact CB-CD2 4.31Å; M136-F140 HydrophobicContact CB-CE2 3.99Å; M136-F140 HydrophobicContact CE-CE1 3.89Å; M136-F140 HydrophobicContact CE-CE2 3.88Å; M136-F140 HydrophobicContact CE-CZ 3.47Å; M136-F140 VanDerWaalsContact CE-CZ 3.47Å; M136-F140 WeakPolarHBondContact O-CB 3.09Å; M136-F140 WeakPolarHBondContact O-CD2 3.1Å; M136-F140 VanDerWaalsContact O-CG 3.28Å; M136-F140 WeakPolarHBondContact O-CG 3.29Å; M136-F140 PolarHBondContact O-N 3.31Å; K137-F140 PolarHBondContact O-N 3.44Å; F140-A142 VanDerWaalsContact C-N 3.34Å; F140-V143 PolarHBondContact O-N 2.85Å; F140-A144 WeakPolarHBondContact O-CB 3.1Å; F140-A144 PolarHBondContact O-N 3.46Å; F140-M218 HydrophobicContact CD1-CE 4.24Å; F140-M218 HydrophobicContact CE1-CE 3.91Å; F140-C221 HydrophobicContact CE1-CB 3.73Å; F140-C221 HydrophobicContact CZ-CB 4.48Å
141E98.6Very high97.9Very high55 Ų5549 Ų4926%0.25723%0.231SC..Hα-helixtrans-62.4-40.7172.3-74.6172158.500111.3K90 N91 K137 Q138 L139 A145K90-E141 WeakPolarHBondContact CE-OE2 3.39Å; K90-E141 IonicContact NZ-OE1 3.01Å; K90-E141 PolarHBondContact NZ-OE1 3.03Å; K90-E141 VanDerWaalsContact NZ-OE1 3.07Å; K90-E141 IonicContact NZ-OE2 3.07Å; K90-E141 PolarHBondContact NZ-OE2 3.46Å; N91-E141 PolarHBondContact OD1-OE2 3.44Å; K137-E141 VanDerWaalsContact CE-OE1 3.3Å; K137-E141 WeakPolarHBondContact CE-OE1 3.2Å; K137-E141 VanDerWaalsContact O-CG 3.3Å; K137-E141 WeakPolarHBondContact O-CG 3.12Å; K137-E141 PolarHBondContact O-N 3.26Å; Q138-E141 PolarHBondContact O-N 3.34Å; L139-E141 VanDerWaalsContact C-N 3.33Å; L139-E141 PolarHBondContact O-N 3.24Å; E141-A145 PolarHBondContact O-N 3.09Å
142A98.7Very high98.1Very high0 Ų047.1 Ų47.10%022%0.223CC..Hα-helixtrans-65.8-47.1173.400000112.6N91 I92 Q138 L139 F140 A145 M146 V171N91-A142 HydrophobicContact CB-CB 3.9Å; N91-A142 WeakPolarHBondContact O-CB 3.43Å; I92-A142 HydrophobicContact CG1-CB 3.95Å; Q138-A142 PolarHBondContact O-N 3.3Å; L139-A142 WeakPolarHBondContact O-CB 3.31Å; L139-A142 PolarHBondContact O-N 3.03Å; L139-A142 VanDerWaalsContact O-N 3.14Å; F140-A142 VanDerWaalsContact C-N 3.34Å; A142-A145 PolarHBondContact O-N 3.18Å; A142-M146 WeakPolarHBondContact O-CG 3.32Å; A142-M146 PolarHBondContact O-N 3.1Å; A142-V171 HydrophobicContact CB-CB 4.41Å; A142-V171 HydrophobicContact CB-CG2 3.64Å
143V98.7Very high98.1Very high3 Ų346.7 Ų46.72%0.01822%0.22CC..Hα-helixtrans-63.6-43.6-179.8174.20000111.4L139 F140 A145 M146 H147 L156 D217 M218L139-V143 HydrophobicContact CD1-CG2 4.22Å; L139-V143 HydrophobicContact CG-CG2 4.47Å; L139-V143 WeakPolarHBondContact O-CG2 3.48Å; L139-V143 PolarHBondContact O-N 3.36Å; F140-V143 PolarHBondContact O-N 2.85Å; V143-A145 VanDerWaalsContact C-N 3.31Å; V143-A145 PolarHBondContact O-N 2.84Å; V143-M146 HydrophobicContact CB-CE 4.35Å; V143-M146 HydrophobicContact CG2-CE 3.9Å; V143-M146 PolarHBondContact O-N 3.35Å; V143-M146 VanDerWaalsContact O-N 3.16Å; V143-H147 VanDerWaalsContact CG1-CE1 3.41Å; V143-H147 WeakPolarHBondContact CG1-CE1 3.33Å; V143-H147 WeakPolarHBondContact O-CB 3.45Å; V143-H147 PolarHBondContact O-N 2.87Å; V143-L156 HydrophobicContact CG2-CD1 3.73Å; V143-D217 HydrophobicContact CG1-CB 4.43Å; V143-M218 HydrophobicContact CG1-SD 3.8Å
144A98.6Very high98.2Very high59 Ų5941 Ų4149%0.48820%0.198SC..Hα-helixtrans-58.5-44175.500000111.6F140 M146 H147 E148F140-A144 WeakPolarHBondContact O-CB 3.1Å; F140-A144 PolarHBondContact O-N 3.46Å; A144-M146 VanDerWaalsContact C-N 3.34Å; A144-M146 PolarHBondContact O-N 3.07Å; A144-H147 PolarHBondContact O-N 3.48Å; A144-E148 VanDerWaalsContact O-CB 3.32Å; A144-E148 WeakPolarHBondContact O-CB 3.36Å; A144-E148 PolarHBondContact O-N 2.83Å
145A98.5Very high98.2Very high16 Ų1637 Ų3713%0.13218%0.183CC..Hα-helixtrans-62-40.9176.700000112.3F86 I92 E141 A142 V143F86-A145 WeakPolarHBondContact CE1-O 3.33Å; I92-A145 HydrophobicContact CD1-CB 4.49Å; E141-A145 PolarHBondContact O-N 3.09Å; A142-A145 PolarHBondContact O-N 3.18Å; V143-A145 VanDerWaalsContact C-N 3.31Å; V143-A145 PolarHBondContact O-N 2.84Å
146M98.5Very high98.3Very high0 Ų037 Ų370%018%0.183CC..Hα-helixtrans-64.7-50.4176.1-67.6-174.3-68.100111.8F86 I92 A142 V143 A144 E148 K149 N150 I151 H153 F174F86-M146 HydrophobicContact CE1-CB 4.49Å; F86-M146 HydrophobicContact CE1-CG 4.17Å; F86-M146 HydrophobicContact CE2-CG 4.18Å; F86-M146 HydrophobicContact CZ-CB 4.16Å; F86-M146 HydrophobicContact CZ-CG 3.87Å; I92-M146 HydrophobicContact CD1-CG 3.97Å; A142-M146 WeakPolarHBondContact O-CG 3.32Å; A142-M146 PolarHBondContact O-N 3.1Å; V143-M146 HydrophobicContact CB-CE 4.35Å; V143-M146 HydrophobicContact CG2-CE 3.9Å; V143-M146 PolarHBondContact O-N 3.35Å; V143-M146 VanDerWaalsContact O-N 3.16Å; A144-M146 VanDerWaalsContact C-N 3.34Å; A144-M146 PolarHBondContact O-N 3.07Å; M146-E148 VanDerWaalsContact C-N 3.35Å; M146-E148 PolarHBondContact O-N 3.41Å; M146-K149 CarbonylContact O-C 3.6Å; M146-K149 PolarHBondContact O-N 3.4Å; M146-N150 PolarHBondContact O-N 2.95Å; M146-I151 CarbonylContact C-O 3.53Å; M146-I151 HydrophobicContact CB-CB 4.27Å; M146-I151 WeakPolarHBondContact CB-O 3.47Å; M146-I151 PolarHBondContact O-N 2.83Å; M146-H153 HydrophobicContact CE-CB 4.01Å; M146-H153 HydrophobicContact SD-CB 4.05Å; M146-F174 HydrophobicContact CG-CE1 4.29Å; M146-F174 HydrophobicContact SD-CE1 3.44Å; M146-F174 WeakPolarHBondContact SD-CE1 3.4Å; M146-F174 HydrophobicContact SD-CZ 3.74Å
147H98.2Very high98.2Very high37 Ų3738 Ų3817%0.17119%0.187CC..Hα-helixtrans-67.1-33.5-176.6-70.6-169.7000112.5V143 A144 K149 N150 I151 L214 D217V143-H147 VanDerWaalsContact CG1-CE1 3.41Å; V143-H147 WeakPolarHBondContact CG1-CE1 3.33Å; V143-H147 WeakPolarHBondContact O-CB 3.45Å; V143-H147 PolarHBondContact O-N 2.87Å; A144-H147 PolarHBondContact O-N 3.48Å; H147-K149 PolarHBondContact O-N 2.77Å; H147-N150 PolarHBondContact O-N 3.38Å; H147-I151 PolarHBondContact CD2-O 2.83Å; H147-L214 HydrophobicContact CB-CD1 4.31Å; H147-L214 PolarHBondContact CE1-O 2.94Å; H147-L214 PolarHBondContact NE2-O 3.36Å; H147-D217 IonicContact CD2-OD2 2.73Å; H147-D217 IonicContact NE2-OD2 3.82Å; H147-D217 PolarHBondContact NE2-OD2 3.49Å
148E97.5Very high98.2Very high169 Ų16932.1 Ų32.179%0.7916%0.161SC*.Hα-helixtrans-58.3-29.2172.6-174178.3-173.300112.2A144 M146A144-E148 VanDerWaalsContact O-CB 3.32Å; A144-E148 WeakPolarHBondContact O-CB 3.36Å; A144-E148 PolarHBondContact O-N 2.83Å; M146-E148 VanDerWaalsContact C-N 3.35Å; M146-E148 PolarHBondContact O-N 3.41Å
149K97.3Very high98Very high95 Ų9533.9 Ų33.941%0.41317%0.17SC..THydrogen-bonded Turntrans-97.713.1175.7-62.2-175.4-170.4-88.50113.6M85 F86 M146 H147 I151M85-K149 HydrophobicContact CB-CD 4.26Å; M85-K149 HydrophobicContact CE-CB 4.07Å; M85-K149 HydrophobicContact CE-CD 3.91Å; M85-K149 WeakPolarHBondContact O-CE 3.38Å; F86-K149 HydrophobicContact CD1-CD 4.29Å; F86-K149 HydrophobicContact CE1-CB 4.49Å; F86-K149 HydrophobicContact CE1-CD 3.6Å; F86-K149 HydrophobicContact CE1-CG 4.32Å; F86-K149 HydrophobicContact CZ-CB 4.43Å; F86-K149 HydrophobicContact CZ-CD 4.03Å; M146-K149 CarbonylContact O-C 3.6Å; M146-K149 PolarHBondContact O-N 3.4Å; H147-K149 PolarHBondContact O-N 2.77Å; K149-I151 HydrophobicContact CB-CG1 4.12Å; K149-I151 PolarHBondContact O-N 2.6Å
150N97.7Very high98Very high72 Ų7234.2 Ų34.239%0.38517%0.171SC..THydrogen-bonded Turntrans55.228.5-172.9-59.3-71.6000114.1M146 H147 L180M146-N150 PolarHBondContact O-N 2.95Å; H147-N150 PolarHBondContact O-N 3.38Å; N150-L180 PolarHBondContact O-N 3.45Å
151I98.2Very high97.9Very high0 Ų030.6 Ų30.60%016%0.156CC..EExtended strand (participates in β ladder)trans-92.9125.4173.5-57.4-52.4000108.8I82 M85 F86 M146 H147 K149 A177 H178 D179 L214I82-I151 HydrophobicContact CG1-CD1 4.47Å; I82-I151 HydrophobicContact CG2-CG2 3.68Å; M85-I151 HydrophobicContact CE-CD1 4.04Å; M85-I151 HydrophobicContact CE-CG1 4.12Å; M85-I151 HydrophobicContact SD-CD1 4.24Å; F86-I151 HydrophobicContact CE2-CB 4.27Å; F86-I151 HydrophobicContact CE2-CG1 4.04Å; F86-I151 HydrophobicContact CE2-CG2 4.15Å; F86-I151 HydrophobicContact CZ-CB 3.92Å; F86-I151 HydrophobicContact CZ-CG1 3.7Å; F86-I151 HydrophobicContact CZ-CG2 4.28Å; M146-I151 CarbonylContact C-O 3.53Å; M146-I151 HydrophobicContact CB-CB 4.27Å; M146-I151 WeakPolarHBondContact CB-O 3.47Å; M146-I151 PolarHBondContact O-N 2.83Å; H147-I151 PolarHBondContact CD2-O 2.83Å; K149-I151 HydrophobicContact CB-CG1 4.12Å; K149-I151 PolarHBondContact O-N 2.6Å; I151-A177 HydrophobicContact CG2-CB 4.35Å; I151-H178 WeakPolarHBondContact CA-O 3.35Å; I151-D179 HydrophobicContact CD1-CB 3.67Å; I151-L214 WeakPolarHBondContact O-CD2 3.43Å
152V98.2Very high97.9Very high0 Ų029.5 Ų29.50%015%0.152CC..EExtended strand (participates in β ladder)trans-98.7139.8168.263.20000109.5R154 A177 H178 L180 L186 L214 V216 D217V152-R154 HydrophobicContact CB-CG 4.15Å; V152-R154 HydrophobicContact CG1-CG 3.69Å; V152-R154 HydrophobicContact CG2-CG 3.51Å; V152-A177 CarbonylContact O-C 3.53Å; V152-A177 WeakPolarHBondContact O-CA 3.42Å; V152-A177 WeakPolarHBondContact O-CB 3.37Å; V152-H178 HydrophobicContact CG1-CB 4.03Å; V152-H178 PolarHBondContact N-O 3.45Å; V152-H178 PolarHBondContact O-N 3.15Å; V152-L180 HydrophobicContact CB-CD1 4.09Å; V152-L180 HydrophobicContact CG1-CD1 3.87Å; V152-L180 HydrophobicContact CG1-CD2 4.34Å; V152-L180 HydrophobicContact CG1-CG 4Å; V152-L186 HydrophobicContact CG1-CD1 3.75Å; V152-L214 HydrophobicContact CB-CD2 3.89Å; V152-V216 HydrophobicContact CG2-CG2 3.69Å; V152-D217 WeakPolarHBondContact CG2-OD2 3.36Å
153H98.5Very high97.8Very high0 Ų029.7 Ų29.70%015%0.153CC..  trans-85.5-45179-170.8-80.1000112.8M146 D155 L156 T172 D173 F174 F176 D217M146-H153 HydrophobicContact CE-CB 4.01Å; M146-H153 HydrophobicContact SD-CB 4.05Å; H153-D155 PolarHBondContact ND1-N 2.81Å; H153-D155 PolarHBondContact O-N 2.8Å; H153-D155 VanDerWaalsContact O-N 3.1Å; H153-L156 HydrophobicContact CB-CD2 4.09Å; H153-L156 HydrophobicContact CB-CG 3.96Å; H153-L156 PolarHBondContact ND1-N 3.11Å; H153-T172 PolarHBondContact NE2-O 2.96Å; H153-T172 VanDerWaalsContact NE2-O 3.09Å; H153-D173 PolarHBondContact CE1-O 3.16Å; H153-D173 PolarHBondContact NE2-O 3.36Å; H153-F174 AromaticContact CD2-CE1 3.95Å; H153-F174 AromaticContact CD2-CZ 3.97Å; H153-F176 CarbonylContact O-C 3.52Å; H153-D217 PolarHBondContact N-OD1 2.7Å; H153-D217 PolarHBondContact N-OD2 2.73Å
154R97.7Very high97.6Very high28 Ų2830.8 Ų30.811%0.10616%0.158CC..SBendtrans68.9-10.7176.2-53-166.5-67.1162.63.3118.2V152 F176 L186 D188 C190 Y212 V216 D217V152-R154 HydrophobicContact CB-CG 4.15Å; V152-R154 HydrophobicContact CG1-CG 3.69Å; V152-R154 HydrophobicContact CG2-CG 3.51Å; R154-F176 HydrophobicContact CB-CB 4.2Å; R154-F176 PolarHBondContact NE-O 3.43Å; R154-F176 PolarHBondContact NH2-O 2.93Å; R154-L186 VanDerWaalsContact CD-CD1 3.43Å; R154-D188 IonicContact CZ-OD2 2.67Å; R154-D188 IonicContact NH1-OD1 3.84Å; R154-D188 PolarHBondContact NH1-OD1 2.89Å; R154-D188 IonicContact NH1-OD2 3.12Å; R154-D188 PolarHBondContact NH1-OD2 2.95Å; R154-D188 IonicContact NH2-OD2 2.76Å; R154-D188 PolarHBondContact NH2-OD2 2.97Å; R154-C190 PolarHBondContact NH1-SG 3.06Å; R154-C190 VanDerWaalsContact NH1-SG 3.37Å; R154-Y212 PolarHBondContact NH1-OH 3.46Å; R154-V216 HydrophobicContact CG-CG2 4.4Å; R154-D217 PolarHBondContact N-OD1 2.83Å
155D97.7Very high97.3Very high5 Ų530.4 Ų30.43%0.02715%0.148CC..  trans-133.845.6173-161.839.3000112.4H153 K157 N160 F176 G191 T192H153-D155 PolarHBondContact ND1-N 2.81Å; H153-D155 PolarHBondContact O-N 2.8Å; H153-D155 VanDerWaalsContact O-N 3.1Å; D155-K157 PolarHBondContact O-N 2.91Å; D155-K157 IonicContact OD1-NZ 2.7Å; D155-K157 PolarHBondContact OD1-NZ 2.88Å; D155-K157 IonicContact OD2-NZ 3.86Å; D155-K157 PolarHBondContact OD2-NZ 2.79Å; D155-N160 PolarHBondContact O-ND2 2.6Å; D155-N160 PolarHBondContact OD2-ND2 2.81Å; D155-N160 VanDerWaalsContact OD2-ND2 3.14Å; D155-F176 HydrophobicContact CB-CB 4.48Å; D155-F176 HydrophobicContact CB-CD2 3.6Å; D155-F176 HydrophobicContact CB-CE2 4.32Å; D155-F176 HydrophobicContact CB-CG 4.44Å; D155-G191 WeakPolarHBondContact OD1-CA 3.22Å; D155-T192 WeakPolarHBondContact OD1-CB 3.41Å; D155-T192 PolarHBondContact OD1-N 3.01Å; D155-T192 PolarHBondContact OD1-OG1 2.79Å
156L98.6Very high96.8Very high1 Ų135 Ų351%0.00517%0.17CC..  trans-70.2123171.5-69.1176000110L139 V143 H153 V171 D217 A220 I224L139-L156 HydrophobicContact CD1-CD2 4.26Å; V143-L156 HydrophobicContact CG2-CD1 3.73Å; H153-L156 HydrophobicContact CB-CD2 4.09Å; H153-L156 HydrophobicContact CB-CG 3.96Å; H153-L156 PolarHBondContact ND1-N 3.11Å; L156-V171 HydrophobicContact CD2-CG1 3.83Å; L156-D217 HydrophobicContact CD1-CB 3.7Å; L156-A220 HydrophobicContact CB-CB 3.85Å; L156-I224 HydrophobicContact CB-CD1 4.13Å
157K97.5Very high96.3Very high28 Ų2841.3 Ų41.312%0.12220%0.2CC..SBendtrans-159.7169.2178.562.1-168.6-174.9-149.60109.9D155 E159 N160 T192 Y195D155-K157 PolarHBondContact O-N 2.91Å; D155-K157 IonicContact OD1-NZ 2.7Å; D155-K157 PolarHBondContact OD1-NZ 2.88Å; D155-K157 IonicContact OD2-NZ 3.86Å; D155-K157 PolarHBondContact OD2-NZ 2.79Å; K157-E159 WeakPolarHBondContact CB-OE2 3.5Å; K157-E159 HydrophobicContact CD-CB 4.39Å; K157-E159 HydrophobicContact CG-CB 4.16Å; K157-E159 WeakPolarHBondContact CG-OE2 3.38Å; K157-E159 PolarHBondContact O-N 3.06Å; K157-N160 WeakPolarHBondContact CE-ND2 3.39Å; K157-N160 HydrophobicContact CG-CB 4.01Å; K157-N160 PolarHBondContact O-N 3.5Å; K157-N160 VanDerWaalsContact O-N 3.09Å; K157-T192 HydrophobicContact CD-CG2 4.29Å; K157-T192 WeakPolarHBondContact CD-OG1 3.45Å; K157-T192 PolarHBondContact NZ-OG1 2.71Å; K157-Y195 HydrophobicContact CB-CD1 4.12Å; K157-Y195 HydrophobicContact CB-CD2 3.78Å; K157-Y195 HydrophobicContact CB-CE1 3.89Å; K157-Y195 HydrophobicContact CB-CE2 3.51Å; K157-Y195 HydrophobicContact CB-CG 4.07Å
158L97.2Very high96.2Very high3 Ų346 Ų462%0.01622%0.216CC..G310 helixtrans-60.8-33.1-177.7-66.5174000112.9L117 F118 L121 N160 I161 I224 T227 L228L117-L158 WeakPolarHBondContact CB-O 3.05Å; L117-L158 HydrophobicContact CD2-CD2 3.7Å; L117-L158 HydrophobicContact CG-CD2 3.96Å; L117-L158 PolarHBondContact N-O 3.2Å; F118-L158 HydrophobicContact CB-CB 3.85Å; F118-L158 HydrophobicContact CD2-CB 4.26Å; F118-L158 HydrophobicContact CD2-CD1 4.38Å; F118-L158 PolarHBondContact N-O 3.28Å; L121-L158 HydrophobicContact CD2-CD1 3.52Å; L158-N160 VanDerWaalsContact C-N 3.31Å; L158-N160 PolarHBondContact O-N 3.17Å; L158-I161 PolarHBondContact O-N 2.83Å; L158-I224 HydrophobicContact CD2-CG2 3.92Å; L158-T227 HydrophobicContact CD1-CG2 3.79Å; L158-L228 HydrophobicContact CD2-CD2 3.87Å; L158-L228 HydrophobicContact CD2-CG 4.24Å
159E95.8Very high96.1Very high55 Ų5538.4 Ų38.426%0.25718%0.181SC..G310 helixtrans-68.6-30177.9-56.792.3137.900111.9F118 K157 I161F118-E159 HydrophobicContact CB-CG 3.95Å; F118-E159 HydrophobicContact CD2-CG 4.28Å; F118-E159 HydrophobicContact CG-CG 4.05Å; K157-E159 WeakPolarHBondContact CB-OE2 3.5Å; K157-E159 HydrophobicContact CD-CB 4.39Å; K157-E159 HydrophobicContact CG-CB 4.16Å; K157-E159 WeakPolarHBondContact CG-OE2 3.38Å; K157-E159 PolarHBondContact O-N 3.06Å; E159-I161 VanDerWaalsContact C-N 3.31Å; E159-I161 PolarHBondContact O-N 3.26Å
160N97.4Very high96.2Very high12 Ų1234.5 Ų34.56%0.06416%0.164CC..G310 helixtrans-93.214.9179.3-71.4-7.1000112.9D155 K157 L158 T172D155-N160 PolarHBondContact O-ND2 2.6Å; D155-N160 PolarHBondContact OD2-ND2 2.81Å; D155-N160 VanDerWaalsContact OD2-ND2 3.14Å; K157-N160 WeakPolarHBondContact CE-ND2 3.39Å; K157-N160 HydrophobicContact CG-CB 4.01Å; K157-N160 PolarHBondContact O-N 3.5Å; K157-N160 VanDerWaalsContact O-N 3.09Å; L158-N160 VanDerWaalsContact C-N 3.31Å; L158-N160 PolarHBondContact O-N 3.17Å; N160-T172 HydrophobicContact CB-CG2 4.49Å; N160-T172 PolarHBondContact O-N 3.27Å
161I98Very high96.2Very high4 Ų431.2 Ų31.22%0.02115%0.146CC..EExtended strand (participates in β ladder)trans-118.6111.7172-61.2166.3000107.8L117 L139 L158 E159 L169 I224L117-I161 HydrophobicContact CB-CB 4.03Å; L117-I161 HydrophobicContact CB-CG2 4.07Å; L117-I161 VanDerWaalsContact CB-O 3.31Å; L117-I161 WeakPolarHBondContact CB-O 3.34Å; L117-I161 HydrophobicContact CD2-CB 4.1Å; L117-I161 HydrophobicContact CD2-CD1 4.1Å; L117-I161 HydrophobicContact CD2-CG2 3.83Å; L117-I161 PolarHBondContact N-O 3.25Å; L139-I161 HydrophobicContact CD1-CD1 4.04Å; L139-I161 HydrophobicContact CD1-CG1 4.46Å; L139-I161 HydrophobicContact CD2-CD1 4.01Å; L158-I161 PolarHBondContact O-N 2.83Å; E159-I161 VanDerWaalsContact C-N 3.31Å; E159-I161 PolarHBondContact O-N 3.26Å; I161-L169 HydrophobicContact CG2-CB 4.28Å; I161-L169 HydrophobicContact CG2-CD1 4.45Å; I161-L169 HydrophobicContact CG2-CD2 4.35Å; I161-I224 HydrophobicContact CD1-CD1 4.06Å; I161-I224 HydrophobicContact CD1-CG2 4.42Å
162L97.6Very high96.2Very high33 Ų3332.3 Ų32.317%0.17315%0.153CC..EExtended strand (participates in β ladder)trans-96.2142.2179.8-59.7179.1000111.4I93 A112 G115 E116 L169 K170 T172I93-L162 HydrophobicContact CD1-CD1 4.36Å; A112-L162 HydrophobicContact CB-CB 3.57Å; A112-L162 HydrophobicContact CB-CD1 3.88Å; A112-L162 HydrophobicContact CB-CG 4.29Å; G115-L162 CarbonylContact O-C 3.55Å; G115-L162 WeakPolarHBondContact O-CA 3.45Å; E116-L162 HydrophobicContact CG-CD2 3.82Å; L162-L169 CarbonylContact O-C 3.54Å; L162-L169 VanDerWaalsContact O-CA 3.32Å; L162-L169 WeakPolarHBondContact O-CA 3.44Å; L162-K170 PolarHBondContact N-O 3.33Å; L162-K170 PolarHBondContact O-N 3Å; L162-T172 HydrophobicContact CD1-CG2 3.78Å; L162-T172 HydrophobicContact CD2-CG2 4.32Å; L162-T172 HydrophobicContact CG-CG2 3.67Å
163M96.7Very high96Very high4 Ų434.5 Ų34.52%0.0217%0.165CC..EExtended strand (participates in β ladder)trans-93.1121.7171.2-58.7-171.65500109.1A112 G114 G115 L117 Y120 D165 L169A112-M163 CarbonylContact C-O 3.36Å; G114-M163 CarbonylContact C-O 3.54Å; G114-M163 WeakPolarHBondContact CA-O 3.43Å; G114-M163 PolarHBondContact N-O 3.34Å; G115-M163 PolarHBondContact N-O 3.5Å; G115-M163 PolarHBondContact O-N 3.09Å; L117-M163 HydrophobicContact CD1-SD 4.17Å; Y120-M163 VanDerWaalsContact CB-SD 3.55Å; Y120-M163 HydrophobicContact CD1-SD 4.42Å; Y120-M163 HydrophobicContact CD2-CE 3.97Å; Y120-M163 HydrophobicContact CD2-SD 3.75Å; Y120-M163 HydrophobicContact CE2-CE 4.35Å; Y120-M163 HydrophobicContact CG-CE 4.39Å; Y120-M163 HydrophobicContact CG-SD 3.65Å; M163-D165 WeakPolarHBondContact CE-O 3.46Å; M163-L169 HydrophobicContact CB-CD2 4.21Å; M163-L169 HydrophobicContact CG-CD2 3.52Å
164L94.1Very high95.9Very high25 Ų2534.5 Ų34.513%0.13117%0.165CC..SBendtrans-73-41.4165.7-68-172.5000110.4A112 R168 K170A112-L164 HydrophobicContact CB-CD2 3.78Å; L164-R168 HydrophobicContact CB-CB 4.01Å; L164-R168 HydrophobicContact CD1-CB 4.22Å; L164-R168 HydrophobicContact CG-CB 4.46Å; L164-R168 PolarHBondContact N-O 3.37Å; L164-K170 HydrophobicContact CD1-CD 3.84Å; L164-K170 HydrophobicContact CD2-CD 4.07Å; L164-K170 HydrophobicContact CG-CD 3.99Å; L164-K170 HydrophobicContact CG-CG 4.48Å
165D92.6Very high95.7Very high52 Ų5234.7 Ų34.728%0.27818%0.175SC..SBendtrans-155.7-169.3175.554.448.7000109.1M163 E167 R168M163-D165 WeakPolarHBondContact CE-O 3.46Å; D165-E167 PolarHBondContact O-N 2.92Å; D165-E167 VanDerWaalsContact O-N 3.11Å; D165-E167 WeakPolarHBondContact OD1-CA 3.41Å; D165-E167 WeakPolarHBondContact OD1-CB 3.45Å; D165-E167 PolarHBondContact OD1-N 3.43Å; D165-R168 PolarHBondContact OD1-N 3.09Å; D165-R168 IonicContact OD1-NE 2.73Å; D165-R168 IonicContact OD2-CZ 3.09Å; D165-R168 IonicContact OD2-NE 2.95Å; D165-R168 PolarHBondContact OD2-NE 3.4Å; D165-R168 IonicContact OD2-NH2 3.91Å; D165-R168 PolarHBondContact OD2-NH2 3.48Å
166D87.5Confident95.6Very high112 Ų11238.4 Ų38.460%0.59919%0.192SC*.SBendtrans-62.7-17.4-179.3-74.4-32.8000114.1K131K131-D166 PolarHBondContact NZ-O 3.38Å
167E88.2Confident95.5Very high133 Ų13338.8 Ų38.862%0.62119%0.194SC*.SBendtrans-109.5-40-174.6-69.3-167.3171.900111.6Y134 Q138 D165Y134-E167 HydrophobicContact CE1-CB 4.35Å; Y134-E167 WeakPolarHBondContact CE1-O 3.38Å; Y134-E167 VanDerWaalsContact OH-C 3.22Å; Y134-E167 WeakPolarHBondContact OH-CA 3.47Å; Y134-E167 VanDerWaalsContact OH-CB 3.27Å; Y134-E167 WeakPolarHBondContact OH-CB 3.41Å; Y134-E167 PolarHBondContact OH-O 3.06Å; Q138-E167 PolarHBondContact NE2-O 3.28Å; Q138-E167 PolarHBondContact OE1-O 3.17Å; D165-E167 PolarHBondContact O-N 2.92Å; D165-E167 VanDerWaalsContact O-N 3.11Å; D165-E167 WeakPolarHBondContact OD1-CA 3.41Å; D165-E167 WeakPolarHBondContact OD1-CB 3.45Å; D165-E167 PolarHBondContact OD1-N 3.43Å
168R95.6Very high95.4Very high136 Ų13640.1 Ų40.151%0.51320%0.201SC..  trans-101.7126.4-169-65.1179.6-64.8161.82.4112.1L164 D165L164-R168 HydrophobicContact CB-CB 4.01Å; L164-R168 HydrophobicContact CD1-CB 4.22Å; L164-R168 HydrophobicContact CG-CB 4.46Å; L164-R168 PolarHBondContact N-O 3.37Å; D165-R168 PolarHBondContact OD1-N 3.09Å; D165-R168 IonicContact OD1-NE 2.73Å; D165-R168 IonicContact OD2-CZ 3.09Å; D165-R168 IonicContact OD2-NE 2.95Å; D165-R168 PolarHBondContact OD2-NE 3.4Å; D165-R168 IonicContact OD2-NH2 3.91Å; D165-R168 PolarHBondContact OD2-NH2 3.48Å
169L97.2Very high95.4Very high8 Ų842.7 Ų42.74%0.04222%0.215CC..EExtended strand (participates in β ladder)trans-115.3146.5177.6-58.6175.5000111.7N91 I135 Q138 I161 L162 M163N91-L169 WeakPolarHBondContact CA-O 3.41Å; N91-L169 PolarHBondContact ND2-O 3.13Å; I135-L169 HydrophobicContact CB-CD1 3.91Å; I135-L169 HydrophobicContact CG1-CD1 3.91Å; I135-L169 HydrophobicContact CG2-CD1 3.71Å; Q138-L169 HydrophobicContact CB-CB 4.35Å; Q138-L169 HydrophobicContact CB-CD1 4.35Å; I161-L169 HydrophobicContact CG2-CB 4.28Å; I161-L169 HydrophobicContact CG2-CD1 4.45Å; I161-L169 HydrophobicContact CG2-CD2 4.35Å; L162-L169 CarbonylContact O-C 3.54Å; L162-L169 VanDerWaalsContact O-CA 3.32Å; L162-L169 WeakPolarHBondContact O-CA 3.44Å; M163-L169 HydrophobicContact CB-CD2 4.21Å; M163-L169 HydrophobicContact CG-CD2 3.52Å
170K98.1Very high95.4Very high13 Ų1340.5 Ų40.56%0.05721%0.205CC..EExtended strand (participates in β ladder)trans-136.4129.6175-75.4177.7168.7-95.50111.5H89 K90 N91 I92 I93 E110 L162 L164H89-K170 PolarHBondContact O-NZ 2.68Å; K90-K170 VanDerWaalsContact O-CE 3.29Å; K90-K170 WeakPolarHBondContact O-CE 3.36Å; N91-K170 WeakPolarHBondContact O-CA 3.29Å; I92-K170 PolarHBondContact O-NZ 2.93Å; I93-K170 HydrophobicContact CD1-CB 4.46Å; I93-K170 HydrophobicContact CD1-CD 4.35Å; E110-K170 VanDerWaalsContact CD-CD 3.4Å; E110-K170 VanDerWaalsContact CD-CE 3.41Å; E110-K170 HydrophobicContact CG-CD 4.41Å; E110-K170 WeakPolarHBondContact OE1-CD 3.39Å; E110-K170 WeakPolarHBondContact OE1-CE 3.37Å; E110-K170 IonicContact OE1-NZ 3.06Å; E110-K170 PolarHBondContact OE1-NZ 3.1Å; E110-K170 WeakPolarHBondContact OE2-CD 3.3Å; E110-K170 WeakPolarHBondContact OE2-CE 3.47Å; E110-K170 IonicContact OE2-NZ 3.6Å; L162-K170 PolarHBondContact N-O 3.33Å; L162-K170 PolarHBondContact O-N 3Å; L164-K170 HydrophobicContact CD1-CD 3.84Å; L164-K170 HydrophobicContact CD2-CD 4.07Å; L164-K170 HydrophobicContact CG-CD 3.99Å; L164-K170 HydrophobicContact CG-CG 4.48Å
171V98.5Very high95.2Very high3 Ų342 Ų422%0.01822%0.216CC..EExtended strand (participates in β ladder)trans-70.7134.8169.4178.90000108.9N91 I93 L139 A142 L156 F174N91-V171 PolarHBondContact O-N 2.82Å; I93-V171 WeakPolarHBondContact CB-O 3.44Å; I93-V171 PolarHBondContact N-O 3.04Å; L139-V171 HydrophobicContact CD1-CG2 3.79Å; A142-V171 HydrophobicContact CB-CB 4.41Å; A142-V171 HydrophobicContact CB-CG2 3.64Å; L156-V171 HydrophobicContact CD2-CG1 3.83Å; V171-F174 HydrophobicContact CG1-CE2 4.14Å; V171-F174 HydrophobicContact CG1-CZ 4.26Å
172T97Very high94.9Very high24 Ų2445.9 Ų45.915%0.14726%0.257CS..  trans-129.6177.3179.2-165.90000110.9H153 N160 L162H153-T172 PolarHBondContact NE2-O 2.96Å; H153-T172 VanDerWaalsContact NE2-O 3.09Å; N160-T172 HydrophobicContact CB-CG2 4.49Å; N160-T172 PolarHBondContact O-N 3.27Å; L162-T172 HydrophobicContact CD1-CG2 3.78Å; L162-T172 HydrophobicContact CD2-CG2 4.32Å; L162-T172 HydrophobicContact CG-CG2 3.67Å
173D94.4Very high94.4Very high45 Ų4547.7 Ų47.724%0.24128%0.284CS..  trans61.374174.8-159.420.7000115K55 H153 G175K55-D173 IonicContact NZ-OD1 3.43Å; K55-D173 PolarHBondContact NZ-OD1 2.86Å; H153-D173 PolarHBondContact CE1-O 3.16Å; H153-D173 PolarHBondContact NE2-O 3.36Å; D173-G175 PolarHBondContact O-N 3.43Å
174F96.2Very high94.1Very high1 Ų153.2 Ų53.20%0.00431%0.308CS..G310 helixtrans-87.619179.7-75.4-110.9000112.3E79 I82 L83 F86 I92 M146 H153 V171 F176 A177E79-F174 HydrophobicContact CG-CB 3.95Å; I82-F174 HydrophobicContact CG2-CD1 3.71Å; I82-F174 HydrophobicContact CG2-CE1 4.31Å; L83-F174 HydrophobicContact CD2-CB 4.32Å; L83-F174 HydrophobicContact CD2-CD2 3.46Å; L83-F174 VanDerWaalsContact CD2-CD2 3.46Å; L83-F174 HydrophobicContact CD2-CE2 3.84Å; L83-F174 HydrophobicContact CD2-CG 3.88Å; L83-F174 HydrophobicContact CG-CB 4.15Å; L83-F174 HydrophobicContact CG-CD2 4.22Å; L83-F174 HydrophobicContact CG-CG 4.16Å; F86-F174 HydrophobicContact CD2-CE1 4.28Å; F86-F174 HydrophobicContact CE2-CE1 4.31Å; I92-F174 HydrophobicContact CD1-CZ 4.48Å; I92-F174 HydrophobicContact CG1-CZ 4.33Å; I92-F174 HydrophobicContact CG2-CE2 3.79Å; I92-F174 HydrophobicContact CG2-CZ 3.54Å; M146-F174 HydrophobicContact CG-CE1 4.29Å; M146-F174 HydrophobicContact SD-CE1 3.44Å; M146-F174 WeakPolarHBondContact SD-CE1 3.4Å; M146-F174 HydrophobicContact SD-CZ 3.74Å; H153-F174 AromaticContact CD2-CE1 3.95Å; H153-F174 AromaticContact CD2-CZ 3.97Å; V171-F174 HydrophobicContact CG1-CE2 4.14Å; V171-F174 HydrophobicContact CG1-CZ 4.26Å; F174-F176 PolarHBondContact O-N 2.9Å; F174-F176 VanDerWaalsContact O-N 3.16Å; F174-A177 HydrophobicContact CB-CB 3.89Å; F174-A177 HydrophobicContact CD1-CB 3.73Å; F174-A177 HydrophobicContact CG-CB 4.24Å; F174-A177 VanDerWaalsContact O-CB 3.3Å; F174-A177 WeakPolarHBondContact O-CB 3.44Å; F174-A177 PolarHBondContact O-N 3.01Å
175G93.6Very high94.1Very high32 Ų3256.1 Ų56.133%0.3333%0.327SS..G310 helixtrans-60.8-25.7-176.900000113.9D173D173-G175 PolarHBondContact O-N 3.43Å
176F94.9Very high94.2Very high83 Ų8354.3 Ų54.336%0.36432%0.317SS..G310 helixtrans-100.8-2.2172.9-62.1-67000113.6H153 R154 D155 F174 C190H153-F176 CarbonylContact O-C 3.52Å; R154-F176 HydrophobicContact CB-CB 4.2Å; R154-F176 PolarHBondContact NE-O 3.43Å; R154-F176 PolarHBondContact NH2-O 2.93Å; D155-F176 HydrophobicContact CB-CB 4.48Å; D155-F176 HydrophobicContact CB-CD2 3.6Å; D155-F176 HydrophobicContact CB-CE2 4.32Å; D155-F176 HydrophobicContact CB-CG 4.44Å; F174-F176 PolarHBondContact O-N 2.9Å; F174-F176 VanDerWaalsContact O-N 3.16Å; F176-C190 HydrophobicContact CD1-CB 3.67Å; F176-C190 HydrophobicContact CE1-CB 3.88Å; F176-C190 HydrophobicContact CG-CB 4.38Å
177A97.1Very high94.5Very high8 Ų854.2 Ų54.27%0.06631%0.308CS..  trans-65.3148-175.300000111.8I82 I151 V152 F174I82-A177 VanDerWaalsContact CD1-C 3.5Å; I82-A177 HydrophobicContact CD1-CB 3.79Å; I82-A177 WeakPolarHBondContact CD1-O 3.3Å; I82-A177 HydrophobicContact CG2-CB 4.1Å; I151-A177 HydrophobicContact CG2-CB 4.35Å; V152-A177 CarbonylContact O-C 3.53Å; V152-A177 WeakPolarHBondContact O-CA 3.42Å; V152-A177 WeakPolarHBondContact O-CB 3.37Å; F174-A177 HydrophobicContact CB-CB 3.89Å; F174-A177 HydrophobicContact CD1-CB 3.73Å; F174-A177 HydrophobicContact CG-CB 4.24Å; F174-A177 VanDerWaalsContact O-CB 3.3Å; F174-A177 WeakPolarHBondContact O-CB 3.44Å; F174-A177 PolarHBondContact O-N 3.01Å
178H96.6Very high94.7Very high56 Ų5651.4 Ų51.426%0.25930%0.297SS..EExtended strand (participates in β ladder)trans-145.4145.5-177.6-155.9-72.3000112.4I151 V152 L186I151-H178 WeakPolarHBondContact CA-O 3.35Å; V152-H178 HydrophobicContact CG1-CB 4.03Å; V152-H178 PolarHBondContact N-O 3.45Å; V152-H178 PolarHBondContact O-N 3.15Å; H178-L186 HydrophobicContact CB-CD1 4.25Å; H178-L186 HydrophobicContact CB-CD2 4.43Å
179D96.7Very high94.6Very high57 Ų5749.8 Ų49.831%0.30530%0.298SS..EExtended strand (participates in β ladder)trans-86118.5172.1-179.85000110.9I151 S181I151-D179 HydrophobicContact CD1-CB 3.67Å; D179-S181 WeakPolarHBondContact OD1-CA 3.42Å; D179-S181 WeakPolarHBondContact OD1-CB 3.48Å; D179-S181 PolarHBondContact OD1-N 2.86Å; D179-S181 PolarHBondContact OD1-OG 3.48Å
180L95.9Very high94.4Very high9 Ų950.2 Ų50.25%0.04730%0.301CS..  trans-98.79.6179.1-57.6-174.1000113.5N150 V152 G182 G183 K184 L186 L214N150-L180 PolarHBondContact O-N 3.45Å; V152-L180 HydrophobicContact CB-CD1 4.09Å; V152-L180 HydrophobicContact CG1-CD1 3.87Å; V152-L180 HydrophobicContact CG1-CD2 4.34Å; V152-L180 HydrophobicContact CG1-CG 4Å; L180-G182 PolarHBondContact O-N 3.21Å; L180-G183 PolarHBondContact O-N 3.24Å; L180-K184 HydrophobicContact CD2-CB 4.47Å; L180-K184 PolarHBondContact O-N 3.2Å; L180-L186 HydrophobicContact CD2-CD1 3.7Å; L180-L186 HydrophobicContact CD2-CD2 4.05Å; L180-L186 HydrophobicContact CD2-CG 3.58Å; L180-L214 HydrophobicContact CD1-CD2 4.06Å; L180-L214 HydrophobicContact CD1-CG 4.13Å
181S93.5Very high94.2Very high44 Ų4450.6 Ų50.631%0.30831%0.31SS..THydrogen-bonded Turntrans-52.2141.4175.6-62.80000111.7D179D179-S181 WeakPolarHBondContact OD1-CA 3.42Å; D179-S181 WeakPolarHBondContact OD1-CB 3.48Å; D179-S181 PolarHBondContact OD1-N 2.86Å; D179-S181 PolarHBondContact OD1-OG 3.48Å
182G91Very high93.9Very high85 Ų8552.3 Ų52.388%0.87632%0.32SS*.THydrogen-bonded Turntrans82.617-176.500000114.5L180L180-G182 PolarHBondContact O-N 3.21Å
183G87.3Confident93.8Very high71 Ų7156.3 Ų56.373%0.73235%0.346SS*.THydrogen-bonded Turntrans74.526.417700000113.3L180L180-G183 PolarHBondContact O-N 3.24Å
184K91Very high93.9Very high120 Ų12057 Ų5752%0.52236%0.364SS..  trans-67.6145175.9-65.5174.7-173.9170.80109.6L180L180-K184 HydrophobicContact CD2-CB 4.47Å; L180-K184 PolarHBondContact O-N 3.2Å
185V92.9Very high93.9Very high87 Ų8758.4 Ų58.453%0.52737%0.37SS..  trans-119.9148.8172.9-67.10000109.2S210V185-S210 WeakPolarHBondContact CG2-O 3.43Å
186L94.6Very high94.1Very high13 Ų1358 Ų587%0.06836%0.36CS..BIsolated β-bridgetrans-103153.3179.8-64.2169.7000111V152 R154 H178 L180 G211 Y212V152-L186 HydrophobicContact CG1-CD1 3.75Å; R154-L186 VanDerWaalsContact CD-CD1 3.43Å; H178-L186 HydrophobicContact CB-CD1 4.25Å; H178-L186 HydrophobicContact CB-CD2 4.43Å; L180-L186 HydrophobicContact CD2-CD1 3.7Å; L180-L186 HydrophobicContact CD2-CD2 4.05Å; L180-L186 HydrophobicContact CD2-CG 3.58Å; L186-G211 CarbonylContact O-C 3.59Å; L186-G211 WeakPolarHBondContact O-CA 3.33Å; L186-Y212 HydrophobicContact CB-CD1 4.41Å; L186-Y212 HydrophobicContact CB-CD2 4.01Å; L186-Y212 HydrophobicContact CB-CE1 3.97Å; L186-Y212 HydrophobicContact CB-CE2 3.53Å; L186-Y212 HydrophobicContact CB-CG 4.43Å; L186-Y212 VanDerWaalsContact CB-CZ 3.5Å; L186-Y212 HydrophobicContact CD1-CD2 4.45Å; L186-Y212 HydrophobicContact CD1-CE2 3.75Å; L186-Y212 HydrophobicContact CG-CE2 4.32Å; L186-Y212 PolarHBondContact N-O 3.45Å; L186-Y212 WeakPolarHBondContact O-CD1 3.4Å; L186-Y212 PolarHBondContact O-N 2.9Å
187R94.2Very high94.2Very high111 Ų11154.1 Ų54.142%0.41934%0.343SS..  trans-137.6-11.7-178.4-57.1-176.273.597.6-0.1114.7T203 D207 V209R187-T203 HydrophobicContact CB-CG2 3.73Å; R187-T203 HydrophobicContact CG-CG2 3.88Å; R187-D207 PolarHBondContact NH2-O 3.07Å; R187-V209 VanDerWaalsContact CZ-O 3.26Å; R187-V209 PolarHBondContact NH1-O 3.19Å; R187-V209 PolarHBondContact NH2-O 2.95Å; R187-V209 VanDerWaalsContact NH2-O 3.15Å
188D92.9Very high94.2Very high74 Ų7455.9 Ų55.940%0.39635%0.354SS..  trans-69.9140.1177.451.1-46.6000111.2R154 C190 Y212R154-D188 IonicContact CZ-OD2 2.67Å; R154-D188 IonicContact NH1-OD1 3.84Å; R154-D188 PolarHBondContact NH1-OD1 2.89Å; R154-D188 IonicContact NH1-OD2 3.12Å; R154-D188 PolarHBondContact NH1-OD2 2.95Å; R154-D188 IonicContact NH2-OD2 2.76Å; R154-D188 PolarHBondContact NH2-OD2 2.97Å; D188-C190 PolarHBondContact O-N 3.03Å; D188-Y212 VanDerWaalsContact O-CE1 3.29Å; D188-Y212 WeakPolarHBondContact O-CE1 2.88Å; D188-Y212 PolarHBondContact O-OH 3.38Å; D188-Y212 PolarHBondContact OD1-OH 3.35Å
189L94.1Very high94.1Very high101 Ų10156.1 Ų56.153%0.52936%0.355SS..  trans-87.6103173.6178.862.9000108.8L196 V200 L201L189-L196 HydrophobicContact CD1-CD1 3.82Å; L189-V200 HydrophobicContact CD1-CG1 3.77Å; L189-L201 HydrophobicContact CD1-CD2 4.29Å
190C93Very high94.1Very high17 Ų1753.6 Ų53.612%0.11534%0.342CS..  trans-140.1160.2175.266.40000111.1R154 F176 D188 L196R154-C190 PolarHBondContact NH1-SG 3.06Å; R154-C190 VanDerWaalsContact NH1-SG 3.37Å; F176-C190 HydrophobicContact CD1-CB 3.67Å; F176-C190 HydrophobicContact CE1-CB 3.88Å; F176-C190 HydrophobicContact CG-CB 4.38Å; D188-C190 PolarHBondContact O-N 3.03Å; C190-L196 WeakPolarHBondContact O-CD2 3.38Å
191G92.4Very high94Very high22 Ų2256.4 Ų56.423%0.22736%0.356CS..SBendtrans105.2173.9-177.400000112.9D155D155-G191 WeakPolarHBondContact OD1-CA 3.22Å
192T93.7Very high94Very high38 Ų3862 Ų6223%0.23337%0.371CS..  trans-82.7123.8-174.1-57.30000111.2D155 K157 G194 Y195 L196D155-T192 WeakPolarHBondContact OD1-CB 3.41Å; D155-T192 PolarHBondContact OD1-N 3.01Å; D155-T192 PolarHBondContact OD1-OG1 2.79Å; K157-T192 HydrophobicContact CD-CG2 4.29Å; K157-T192 WeakPolarHBondContact CD-OG1 3.45Å; K157-T192 PolarHBondContact NZ-OG1 2.71Å; T192-G194 VanDerWaalsContact C-N 3.29Å; T192-G194 PolarHBondContact O-N 3.33Å; T192-Y195 HydrophobicContact CG2-CD2 3.91Å; T192-Y195 HydrophobicContact CG2-CE2 4.28Å; T192-Y195 PolarHBondContact O-N 3.33Å; T192-L196 PolarHBondContact O-N 3.34Å
193P94.7Very high94Very high109 Ų10958.3 Ų58.371%0.70833%0.331SS*.G310 helixtrans-49.5-38.2-169.1-32.935.9000116.8Y195 L196P193-Y195 PolarHBondContact O-N 2.76Å; P193-L196 PolarHBondContact O-N 2.67Å
194G95.2Very high94.1Very high59 Ų5957.6 Ų57.661%0.60832%0.315SS*.G310 helixtrans-69.2-15179.500000115T192T192-G194 VanDerWaalsContact C-N 3.29Å; T192-G194 PolarHBondContact O-N 3.33Å
195Y97.3Very high94Very high31 Ų3158.1 Ų58.112%0.12232%0.321CS..G310 helixtrans-111.3-1.7-177.7-62-93000112.7K157 T192 P193 V223 I224K157-Y195 HydrophobicContact CB-CD1 4.12Å; K157-Y195 HydrophobicContact CB-CD2 3.78Å; K157-Y195 HydrophobicContact CB-CE1 3.89Å; K157-Y195 HydrophobicContact CB-CE2 3.51Å; K157-Y195 HydrophobicContact CB-CG 4.07Å; T192-Y195 HydrophobicContact CG2-CD2 3.91Å; T192-Y195 HydrophobicContact CG2-CE2 4.28Å; T192-Y195 PolarHBondContact O-N 3.33Å; P193-Y195 PolarHBondContact O-N 2.76Å; Y195-V223 HydrophobicContact CD1-CB 3.93Å; Y195-V223 HydrophobicContact CD1-CG1 3.59Å; Y195-V223 HydrophobicContact CE1-CB 4.4Å; Y195-V223 HydrophobicContact CE1-CG1 3.78Å; Y195-V223 HydrophobicContact CG-CG1 4.3Å; Y195-I224 HydrophobicContact CD1-CG1 4.13Å; Y195-I224 HydrophobicContact CE1-CG1 3.73Å
196L97.2Very high93.9Very high23 Ų2360.3 Ų60.312%0.1232%0.321CS..  trans-70.1132.8-176.8-65.7-178.7000111.8L189 C190 T192 P193 V200 L201 W219L189-L196 HydrophobicContact CD1-CD1 3.82Å; C190-L196 WeakPolarHBondContact O-CD2 3.38Å; T192-L196 PolarHBondContact O-N 3.34Å; P193-L196 PolarHBondContact O-N 2.67Å; L196-V200 HydrophobicContact CD2-CG1 4.3Å; L196-L201 HydrophobicContact CB-CD2 4.41Å; L196-L201 HydrophobicContact CB-CG 4.48Å; L196-L201 HydrophobicContact CD1-CD2 3.88Å; L196-W219 PolarHBondContact O-NE1 2.76Å; L196-W219 VanDerWaalsContact O-NE1 3.09Å
197A97.2Very high93.4Very high1 Ų167.3 Ų67.31%0.00836%0.358CS..  trans-70.7148.6173.500000111.3E199 V200 L201 V216 W219A197-E199 VanDerWaalsContact CB-CD 3.43Å; A197-E199 HydrophobicContact CB-CG 4.26Å; A197-E199 WeakPolarHBondContact CB-OE1 3.37Å; A197-E199 WeakPolarHBondContact CB-OE2 3.32Å; A197-E199 PolarHBondContact O-N 2.79Å; A197-V200 HydrophobicContact CB-CG2 4.24Å; A197-V200 WeakPolarHBondContact O-CB 3.35Å; A197-V200 PolarHBondContact O-N 2.7Å; A197-L201 PolarHBondContact O-N 3.33Å; A197-V216 HydrophobicContact CB-CB 4Å; A197-V216 HydrophobicContact CB-CG1 3.98Å; A197-W219 VanDerWaalsContact CA-CD1 3.5Å; A197-W219 HydrophobicContact CB-CB 3.67Å; A197-W219 HydrophobicContact CB-CD2 4.26Å; A197-W219 HydrophobicContact CB-CG 3.67Å
198P96.2Very high93.1Very high46 Ų4669 Ų6930%0.29938%0.375SS..Hα-helixtrans-56-34.9-178.7-25.734.2000113.7V200 L201 R202 W219P198-V200 VanDerWaalsContact C-N 3.34Å; P198-V200 PolarHBondContact O-N 2.86Å; P198-L201 PolarHBondContact O-N 2.94Å; P198-R202 WeakPolarHBondContact O-CG 3.49Å; P198-R202 PolarHBondContact O-N 2.91Å; P198-W219 HydrophobicContact CG-CD2 4.49Å; P198-W219 HydrophobicContact CG-CE3 4.11Å; P198-W219 HydrophobicContact CG-CH2 3.51Å; P198-W219 HydrophobicContact CG-CZ2 3.91Å; P198-W219 HydrophobicContact CG-CZ3 3.61Å
199E95.9Very high92.9Very high60 Ų6067 Ų6728%0.2837%0.366SS..Hα-helixtrans-67.2-29.9178.260.9-87.3-15700113.3A197 T203 V216A197-E199 VanDerWaalsContact CB-CD 3.43Å; A197-E199 HydrophobicContact CB-CG 4.26Å; A197-E199 WeakPolarHBondContact CB-OE1 3.37Å; A197-E199 WeakPolarHBondContact CB-OE2 3.32Å; A197-E199 PolarHBondContact O-N 2.79Å; E199-T203 WeakPolarHBondContact O-CB 3.41Å; E199-T203 PolarHBondContact O-N 3.19Å; E199-T203 PolarHBondContact O-OG1 2.96Å; E199-V216 HydrophobicContact CG-CG1 4.03Å
200V95.5Very high92.6Very high5 Ų566.8 Ų66.83%0.0337%0.373CS..Hα-helixtrans-65.6-45.9172.8-178.10000109.5L189 L196 A197 P198 T203 S204 Y212 V216L189-V200 HydrophobicContact CD1-CG1 3.77Å; L196-V200 HydrophobicContact CD2-CG1 4.3Å; A197-V200 HydrophobicContact CB-CG2 4.24Å; A197-V200 WeakPolarHBondContact O-CB 3.35Å; A197-V200 PolarHBondContact O-N 2.7Å; P198-V200 VanDerWaalsContact C-N 3.34Å; P198-V200 PolarHBondContact O-N 2.86Å; V200-T203 PolarHBondContact O-N 3.18Å; V200-S204 PolarHBondContact O-N 3.42Å; V200-Y212 HydrophobicContact CB-CD1 4.32Å; V200-Y212 HydrophobicContact CB-CE1 4.41Å; V200-Y212 HydrophobicContact CG1-CD1 4.43Å; V200-Y212 HydrophobicContact CG1-CE1 4.04Å; V200-Y212 HydrophobicContact CG2-CD1 3.98Å; V200-Y212 HydrophobicContact CG2-CD2 4.07Å; V200-Y212 HydrophobicContact CG2-CE1 4.18Å; V200-Y212 HydrophobicContact CG2-CE2 4.26Å; V200-Y212 HydrophobicContact CG2-CG 3.93Å; V200-V216 HydrophobicContact CG2-CB 4.2Å; V200-V216 HydrophobicContact CG2-CG1 3.6Å
201L94.1Very high92.6Very high68 Ų6866.5 Ų66.536%0.35637%0.373SS..Hα-helixtrans-66.4-40.7177.3-60177.1000112L189 L196 A197 P198 S204 M205L189-L201 HydrophobicContact CD1-CD2 4.29Å; L196-L201 HydrophobicContact CB-CD2 4.41Å; L196-L201 HydrophobicContact CB-CG 4.48Å; L196-L201 HydrophobicContact CD1-CD2 3.88Å; A197-L201 PolarHBondContact O-N 3.33Å; P198-L201 PolarHBondContact O-N 2.94Å; L201-S204 PolarHBondContact O-N 2.85Å; L201-S204 PolarHBondContact O-OG 2.84Å; L201-M205 HydrophobicContact CB-CE 4.48Å; L201-M205 VanDerWaalsContact O-CG 3.25Å; L201-M205 WeakPolarHBondContact O-CG 3.42Å; L201-M205 PolarHBondContact O-N 3.16Å
202R93.1Very high92.8Very high161 Ų16165.9 Ų65.961%0.60836%0.363SS*.Hα-helixtrans-64.5-41.4177-76-177.9-179.8-173.91.4111.9P198 S204 M205 Y206 V209P198-R202 WeakPolarHBondContact O-CG 3.49Å; P198-R202 PolarHBondContact O-N 2.91Å; R202-S204 VanDerWaalsContact C-N 3.26Å; R202-S204 PolarHBondContact O-N 3.46Å; R202-M205 PolarHBondContact O-N 3.39Å; R202-Y206 WeakPolarHBondContact O-CD2 3.18Å; R202-Y206 PolarHBondContact O-N 3.22Å; R202-V209 HydrophobicContact CB-CG1 4.49Å; R202-V209 HydrophobicContact CB-CG2 4.36Å
203T92.4Very high92.9Very high8 Ų864.7 Ų64.75%0.04936%0.359CS..Hα-helixtrans-64.6-31.9179.6-56.90000112.3R187 E199 V200R187-T203 HydrophobicContact CB-CG2 3.73Å; R187-T203 HydrophobicContact CG-CG2 3.88Å; E199-T203 WeakPolarHBondContact O-CB 3.41Å; E199-T203 PolarHBondContact O-N 3.19Å; E199-T203 PolarHBondContact O-OG1 2.96Å; V200-T203 PolarHBondContact O-N 3.18Å
204S88.7Confident93.1Very high56 Ų5661 Ų6139%0.39233%0.333SS..Hα-helixtrans-80.3-19.8176.668.60000113.9V200 L201 R202V200-S204 PolarHBondContact O-N 3.42Å; L201-S204 PolarHBondContact O-N 2.85Å; L201-S204 PolarHBondContact O-OG 2.84Å; R202-S204 VanDerWaalsContact C-N 3.26Å; R202-S204 PolarHBondContact O-N 3.46Å
205M89.5Confident93.2Very high131 Ų13164 Ų6465%0.64533%0.331SS*.Hα-helixtrans-93.5-27.9-179.2-70.8179.1-170.400114L201 R202L201-M205 HydrophobicContact CB-CE 4.48Å; L201-M205 VanDerWaalsContact O-CG 3.25Å; L201-M205 WeakPolarHBondContact O-CG 3.42Å; L201-M205 PolarHBondContact O-N 3.16Å; R202-M205 PolarHBondContact O-N 3.39Å
206Y89.8Confident93.2Very high133 Ų13362.9 Ų62.952%0.52233%0.328SS..  trans-133.2129.7-170.9-55.7-78000111.6R202 D208 V209R202-Y206 WeakPolarHBondContact O-CD2 3.18Å; R202-Y206 PolarHBondContact O-N 3.22Å; Y206-D208 VanDerWaalsContact C-N 3.3Å; Y206-D208 WeakPolarHBondContact CB-OD1 3.46Å; Y206-D208 PolarHBondContact O-N 3.43Å; Y206-V209 HydrophobicContact CD2-CG2 4.48Å
207D84.5Confident93.3Very high160 Ų16061.9 Ų61.986%0.85632%0.322SS*.THydrogen-bonded Turntrans-70.7-24.3-178.3-68.9-37.5000113.3R187R187-D207 PolarHBondContact NH2-O 3.07Å
208D88Confident93.3Very high145 Ų14566 Ų6678%0.77534%0.343SS*.THydrogen-bonded Turntrans-88.53-174.867.5-30.3000114.6Y206Y206-D208 VanDerWaalsContact C-N 3.3Å; Y206-D208 WeakPolarHBondContact CB-OD1 3.46Å; Y206-D208 PolarHBondContact O-N 3.43Å
209V87.8Confident93.5Very high34 Ų3469.6 Ų69.621%0.20635%0.35CS..SBendtrans-82.8141.8176.2177.90000110.1R187 R202 Y206 G211R187-V209 VanDerWaalsContact CZ-O 3.26Å; R187-V209 PolarHBondContact NH1-O 3.19Å; R187-V209 PolarHBondContact NH2-O 2.95Å; R187-V209 VanDerWaalsContact NH2-O 3.15Å; R202-V209 HydrophobicContact CB-CG1 4.49Å; R202-V209 HydrophobicContact CB-CG2 4.36Å; Y206-V209 HydrophobicContact CD2-CG2 4.48Å; V209-G211 PolarHBondContact O-N 2.88Å
210S87.9Confident93.6Very high96 Ų9667 Ų6767%0.67134%0.339SS*.  trans-69.4-10.8-173.251.70000115.6V185V185-S210 WeakPolarHBondContact CG2-O 3.43Å
211G93.4Very high93.7Very high11 Ų1166.8 Ų66.811%0.11334%0.338CS..  trans97.9-175.3-167.600000112.8L186 V209L186-G211 CarbonylContact O-C 3.59Å; L186-G211 WeakPolarHBondContact O-CA 3.33Å; V209-G211 PolarHBondContact O-N 2.88Å
212Y96.1Very high94Very high8 Ų865.5 Ų65.53%0.03134%0.341CS..BIsolated β-bridgetrans-128.9162-179.864.8-95.5000112R154 L186 D188 V200 V216R154-Y212 PolarHBondContact NH1-OH 3.46Å; L186-Y212 HydrophobicContact CB-CD1 4.41Å; L186-Y212 HydrophobicContact CB-CD2 4.01Å; L186-Y212 HydrophobicContact CB-CE1 3.97Å; L186-Y212 HydrophobicContact CB-CE2 3.53Å; L186-Y212 HydrophobicContact CB-CG 4.43Å; L186-Y212 VanDerWaalsContact CB-CZ 3.5Å; L186-Y212 HydrophobicContact CD1-CD2 4.45Å; L186-Y212 HydrophobicContact CD1-CE2 3.75Å; L186-Y212 HydrophobicContact CG-CE2 4.32Å; L186-Y212 PolarHBondContact N-O 3.45Å; L186-Y212 WeakPolarHBondContact O-CD1 3.4Å; L186-Y212 PolarHBondContact O-N 2.9Å; D188-Y212 VanDerWaalsContact O-CE1 3.29Å; D188-Y212 WeakPolarHBondContact O-CE1 2.88Å; D188-Y212 PolarHBondContact O-OH 3.38Å; D188-Y212 PolarHBondContact OD1-OH 3.35Å; V200-Y212 HydrophobicContact CB-CD1 4.32Å; V200-Y212 HydrophobicContact CB-CE1 4.41Å; V200-Y212 HydrophobicContact CG1-CD1 4.43Å; V200-Y212 HydrophobicContact CG1-CE1 4.04Å; V200-Y212 HydrophobicContact CG2-CD1 3.98Å; V200-Y212 HydrophobicContact CG2-CD2 4.07Å; V200-Y212 HydrophobicContact CG2-CE1 4.18Å; V200-Y212 HydrophobicContact CG2-CE2 4.26Å; V200-Y212 HydrophobicContact CG2-CG 3.93Å; Y212-V216 HydrophobicContact CD2-CG1 3.54Å; Y212-V216 HydrophobicContact CD2-CG2 4.28Å; Y212-V216 HydrophobicContact CE2-CG1 4.4Å; Y212-V216 HydrophobicContact CG-CG1 3.96Å
213G96.8Very high94.2Very high13 Ų1359.4 Ų59.413%0.13432%0.322CS..  trans-129.7-147.2-173.400000113.8E215 V216G213-E215 VanDerWaalsContact C-OE2 3.26Å; G213-E215 WeakPolarHBondContact CA-OE2 3.08Å; G213-E215 PolarHBondContact O-N 3.42Å; G213-V216 WeakPolarHBondContact O-CG2 3.28Å
214L97.8Very high94.5Very high32 Ų3259 Ų5917%0.16832%0.319CS..THydrogen-bonded Turntrans-66-24.8-177.9-62.5168.7000112.6H147 I151 V152 L180 V216 D217H147-L214 HydrophobicContact CB-CD1 4.31Å; H147-L214 PolarHBondContact CE1-O 2.94Å; H147-L214 PolarHBondContact NE2-O 3.36Å; I151-L214 WeakPolarHBondContact O-CD2 3.43Å; V152-L214 HydrophobicContact CB-CD2 3.89Å; L180-L214 HydrophobicContact CD1-CD2 4.06Å; L180-L214 HydrophobicContact CD1-CG 4.13Å; L214-V216 PolarHBondContact O-N 3.41Å; L214-V216 VanDerWaalsContact O-N 3.13Å; L214-D217 PolarHBondContact O-N 3.41Å; L214-D217 VanDerWaalsContact O-N 3.17Å
215E97.5Very high94.9Very high122 Ų12261.1 Ų61.157%0.5732%0.324SS*.Hα-helixtrans-61.9-24.2-172.6-59.776.6-168.600112.9G213 D217 M218 W219G213-E215 VanDerWaalsContact C-OE2 3.26Å; G213-E215 WeakPolarHBondContact CA-OE2 3.08Å; G213-E215 PolarHBondContact O-N 3.42Å; E215-D217 PolarHBondContact O-N 3.16Å; E215-M218 WeakPolarHBondContact O-CA 3.3Å; E215-M218 WeakPolarHBondContact O-CB 2.93Å; E215-M218 PolarHBondContact O-N 3.14Å; E215-W219 PolarHBondContact O-N 3.06Å
216V98.2Very high95.3Very high8 Ų864.8 Ų64.85%0.04833%0.332CS..Hα-helixtrans-61.7-31.9178.6-54.20000112.3V152 R154 A197 E199 V200 Y212 G213 L214 M218 W219 A220V152-V216 HydrophobicContact CG2-CG2 3.69Å; R154-V216 HydrophobicContact CG-CG2 4.4Å; A197-V216 HydrophobicContact CB-CB 4Å; A197-V216 HydrophobicContact CB-CG1 3.98Å; E199-V216 HydrophobicContact CG-CG1 4.03Å; V200-V216 HydrophobicContact CG2-CB 4.2Å; V200-V216 HydrophobicContact CG2-CG1 3.6Å; Y212-V216 HydrophobicContact CD2-CG1 3.54Å; Y212-V216 HydrophobicContact CD2-CG2 4.28Å; Y212-V216 HydrophobicContact CE2-CG1 4.4Å; Y212-V216 HydrophobicContact CG-CG1 3.96Å; G213-V216 WeakPolarHBondContact O-CG2 3.28Å; L214-V216 PolarHBondContact O-N 3.41Å; L214-V216 VanDerWaalsContact O-N 3.13Å; V216-M218 VanDerWaalsContact C-N 3.29Å; V216-M218 PolarHBondContact O-N 2.84Å; V216-W219 PolarHBondContact O-N 3.32Å; V216-A220 PolarHBondContact O-N 3.05Å; V216-A220 VanDerWaalsContact O-N 3.09Å
217D98.7Very high95.6Very high1 Ų161.3 Ų61.31%0.00533%0.325CS..Hα-helixtrans-68.9-30.9175.3-72-21.4000111.3V143 H147 V152 H153 R154 L156 L214 E215 A220 C221V143-D217 HydrophobicContact CG1-CB 4.43Å; H147-D217 IonicContact CD2-OD2 2.73Å; H147-D217 IonicContact NE2-OD2 3.82Å; H147-D217 PolarHBondContact NE2-OD2 3.49Å; V152-D217 WeakPolarHBondContact CG2-OD2 3.36Å; H153-D217 PolarHBondContact N-OD1 2.7Å; H153-D217 PolarHBondContact N-OD2 2.73Å; R154-D217 PolarHBondContact N-OD1 2.83Å; L156-D217 HydrophobicContact CD1-CB 3.7Å; L214-D217 PolarHBondContact O-N 3.41Å; L214-D217 VanDerWaalsContact O-N 3.17Å; E215-D217 PolarHBondContact O-N 3.16Å; D217-A220 PolarHBondContact O-N 3.36Å; D217-C221 PolarHBondContact O-N 2.82Å; D217-C221 PolarHBondContact O-SG 3.24Å
218M98.7Very high96.1Very high89 Ų8954.9 Ų54.944%0.43829%0.29SS..Hα-helixtrans-72.9-36177.3-62.2-54.2-59.100111.5F140 V143 E215 V216 C221 G222F140-M218 HydrophobicContact CD1-CE 4.24Å; F140-M218 HydrophobicContact CE1-CE 3.91Å; V143-M218 HydrophobicContact CG1-SD 3.8Å; E215-M218 WeakPolarHBondContact O-CA 3.3Å; E215-M218 WeakPolarHBondContact O-CB 2.93Å; E215-M218 PolarHBondContact O-N 3.14Å; V216-M218 VanDerWaalsContact C-N 3.29Å; V216-M218 PolarHBondContact O-N 2.84Å; M218-C221 WeakPolarHBondContact O-CB 3.29Å; M218-C221 PolarHBondContact O-N 3.24Å; M218-G222 PolarHBondContact O-N 3.15Å
219W98.6Very high96.5Very high120 Ų12050.4 Ų50.446%0.45527%0.266SS..Hα-helixtrans-60.2-49.7169.3176.5-84.6000111L196 A197 P198 E215 V216 C221 G222 V223L196-W219 PolarHBondContact O-NE1 2.76Å; L196-W219 VanDerWaalsContact O-NE1 3.09Å; A197-W219 VanDerWaalsContact CA-CD1 3.5Å; A197-W219 HydrophobicContact CB-CB 3.67Å; A197-W219 HydrophobicContact CB-CD2 4.26Å; A197-W219 HydrophobicContact CB-CG 3.67Å; P198-W219 HydrophobicContact CG-CD2 4.49Å; P198-W219 HydrophobicContact CG-CE3 4.11Å; P198-W219 HydrophobicContact CG-CH2 3.51Å; P198-W219 HydrophobicContact CG-CZ2 3.91Å; P198-W219 HydrophobicContact CG-CZ3 3.61Å; E215-W219 PolarHBondContact O-N 3.06Å; V216-W219 PolarHBondContact O-N 3.32Å; W219-C221 VanDerWaalsContact C-N 3.3Å; W219-C221 PolarHBondContact O-N 2.95Å; W219-G222 WeakPolarHBondContact O-CA 3.35Å; W219-G222 PolarHBondContact O-N 2.73Å; W219-V223 PolarHBondContact O-N 3.07Å
220A98.6Very high97Very high5 Ų551.2 Ų51.24%0.04127%0.269CS..Hα-helixtrans-59.4-40.7178.100000111.9L156 V216 D217 G222 V223 I224L156-A220 HydrophobicContact CB-CB 3.85Å; V216-A220 PolarHBondContact O-N 3.05Å; V216-A220 VanDerWaalsContact O-N 3.09Å; D217-A220 PolarHBondContact O-N 3.36Å; A220-G222 VanDerWaalsContact C-N 3.27Å; A220-G222 PolarHBondContact O-N 2.99Å; A220-V223 PolarHBondContact O-N 3.24Å; A220-I224 VanDerWaalsContact O-CG1 3.3Å; A220-I224 WeakPolarHBondContact O-CG1 3.28Å; A220-I224 PolarHBondContact O-N 3.04Å
221C98.7Very high97.5Very high2 Ų248.7 Ų48.71%0.01425%0.247CC..Hα-helixtrans-56.8-39.8170.7-71.10000112.6M136 F140 D217 M218 W219 I224 M225M136-C221 HydrophobicContact CE-CB 4.15Å; M136-C221 WeakPolarHBondContact CE-O 3.27Å; F140-C221 HydrophobicContact CE1-CB 3.73Å; F140-C221 HydrophobicContact CZ-CB 4.48Å; D217-C221 PolarHBondContact O-N 2.82Å; D217-C221 PolarHBondContact O-SG 3.24Å; M218-C221 WeakPolarHBondContact O-CB 3.29Å; M218-C221 PolarHBondContact O-N 3.24Å; W219-C221 VanDerWaalsContact C-N 3.3Å; W219-C221 PolarHBondContact O-N 2.95Å; C221-I224 PolarHBondContact O-N 2.87Å; C221-M225 WeakPolarHBondContact O-CB 3.34Å; C221-M225 PolarHBondContact O-N 3.49Å
222G98.6Very high97.7Very high41 Ų4150.9 Ų50.942%0.42326%0.255SS..Hα-helixtrans-62.9-44.4175.200000112.7M218 W219 A220 M225 Y226M218-G222 PolarHBondContact O-N 3.15Å; W219-G222 WeakPolarHBondContact O-CA 3.35Å; W219-G222 PolarHBondContact O-N 2.73Å; A220-G222 VanDerWaalsContact C-N 3.27Å; A220-G222 PolarHBondContact O-N 2.99Å; G222-M225 PolarHBondContact O-N 3.09Å; G222-Y226 WeakPolarHBondContact O-CB 3.45Å; G222-Y226 PolarHBondContact O-N 3.41Å
223V98.4Very high97.8Very high33 Ų3353.6 Ų53.620%0.227%0.269CS..Hα-helixtrans-62.3-44.8175.3178.20000110.9Y195 W219 A220 Y226 T227Y195-V223 HydrophobicContact CD1-CB 3.93Å; Y195-V223 HydrophobicContact CD1-CG1 3.59Å; Y195-V223 HydrophobicContact CE1-CB 4.4Å; Y195-V223 HydrophobicContact CE1-CG1 3.78Å; Y195-V223 HydrophobicContact CG-CG1 4.3Å; W219-V223 PolarHBondContact O-N 3.07Å; A220-V223 PolarHBondContact O-N 3.24Å; V223-Y226 PolarHBondContact O-N 2.85Å; V223-T227 WeakPolarHBondContact O-CB 3.3Å; V223-T227 PolarHBondContact O-N 2.83Å; V223-T227 PolarHBondContact O-OG1 3.32Å
224I98.2Very high97.9Very high0 Ų056.3 Ų56.30%028%0.278CS..Hα-helixtrans-59-50.9176.1-69.5162.6000110M136 L139 L156 L158 I161 Y195 A220 C221 Y226 T227 L228M136-I224 HydrophobicContact SD-CG2 4.03Å; L139-I224 HydrophobicContact CD2-CD1 3.87Å; L139-I224 HydrophobicContact CD2-CG2 4.12Å; L156-I224 HydrophobicContact CB-CD1 4.13Å; L158-I224 HydrophobicContact CD2-CG2 3.92Å; I161-I224 HydrophobicContact CD1-CD1 4.06Å; I161-I224 HydrophobicContact CD1-CG2 4.42Å; Y195-I224 HydrophobicContact CD1-CG1 4.13Å; Y195-I224 HydrophobicContact CE1-CG1 3.73Å; A220-I224 VanDerWaalsContact O-CG1 3.3Å; A220-I224 WeakPolarHBondContact O-CG1 3.28Å; A220-I224 PolarHBondContact O-N 3.04Å; C221-I224 PolarHBondContact O-N 2.87Å; I224-Y226 VanDerWaalsContact C-N 3.29Å; I224-Y226 PolarHBondContact O-N 3.42Å; I224-T227 PolarHBondContact O-N 3.45Å; I224-L228 HydrophobicContact CG2-CD1 3.88Å; I224-L228 HydrophobicContact CG2-CG 4.31Å; I224-L228 WeakPolarHBondContact O-CG 3.45Å; I224-L228 PolarHBondContact O-N 3.49Å
225M98.1Very high97.9Very high99 Ų9958.1 Ų58.149%0.48829%0.285SS..Hα-helixtrans-61-36.4-179.8-173.3171.7177.600112.9T132 M136 C221 G222 T227T132-M225 HydrophobicContact CG2-CG 4.2Å; M136-M225 HydrophobicContact CE-CB 3.84Å; M136-M225 HydrophobicContact CE-CG 4.49Å; M136-M225 HydrophobicContact CG-CB 4.15Å; M136-M225 HydrophobicContact CG-CG 3.97Å; M136-M225 HydrophobicContact CG-SD 4.3Å; M136-M225 HydrophobicContact SD-CB 3.79Å; M136-M225 HydrophobicContact SD-CG 4.3Å; C221-M225 WeakPolarHBondContact O-CB 3.34Å; C221-M225 PolarHBondContact O-N 3.49Å; G222-M225 PolarHBondContact O-N 3.09Å; M225-T227 VanDerWaalsContact C-N 3.32Å
226Y97.3Very high97.9Very high209 Ų20953.2 Ų53.282%0.8226%0.263SS*.Hα-helixtrans-68.4-34175.6-179.4-86.7000112.3G222 V223 I224G222-Y226 WeakPolarHBondContact O-CB 3.45Å; G222-Y226 PolarHBondContact O-N 3.41Å; V223-Y226 PolarHBondContact O-N 2.85Å; I224-Y226 VanDerWaalsContact C-N 3.29Å; I224-Y226 PolarHBondContact O-N 3.42Å
227T96Very high97.9Very high60 Ų6056.9 Ų56.937%0.36828%0.281SS..Hα-helixtrans-78.2-30.5-176.9-540000112.1L121 L158 V223 I224 M225L121-T227 HydrophobicContact CD2-CG2 3.86Å; L158-T227 HydrophobicContact CD1-CG2 3.79Å; V223-T227 WeakPolarHBondContact O-CB 3.3Å; V223-T227 PolarHBondContact O-N 2.83Å; V223-T227 PolarHBondContact O-OG1 3.32Å; I224-T227 PolarHBondContact O-N 3.45Å; M225-T227 VanDerWaalsContact C-N 3.32Å
228L94.9Very high97.8Very high24 Ų2462 Ų6213%0.12631%0.307CS..  trans-71.90177.5-70.4172.7000112.9L117 L121 C127 T132 I135 M136 L158 I224L117-L228 HydrophobicContact CD2-CD2 4.25Å; L117-L228 HydrophobicContact CG-CD2 4.45Å; L121-L228 HydrophobicContact CD1-CD2 4.38Å; L121-L228 HydrophobicContact CD2-CD2 4.43Å; C127-L228 HydrophobicContact CB-CB 4.37Å; C127-L228 WeakPolarHBondContact CB-O 3.25Å; C127-L228 PolarHBondContact N-O 2.69Å; T132-L228 HydrophobicContact CG2-CB 3.89Å; T132-L228 HydrophobicContact CG2-CD1 4.17Å; I135-L228 HydrophobicContact CB-CD1 4.22Å; I135-L228 HydrophobicContact CD1-CD1 4.31Å; I135-L228 HydrophobicContact CD1-CD2 4.14Å; I135-L228 HydrophobicContact CG2-CD1 3.61Å; M136-L228 HydrophobicContact CG-CD1 4.43Å; M136-L228 HydrophobicContact SD-CD1 3.97Å; L158-L228 HydrophobicContact CD2-CD2 3.87Å; L158-L228 HydrophobicContact CD2-CG 4.24Å; I224-L228 HydrophobicContact CG2-CD1 3.88Å; I224-L228 HydrophobicContact CG2-CG 4.31Å; I224-L228 WeakPolarHBondContact O-CG 3.45Å; I224-L228 PolarHBondContact O-N 3.49Å

Retrieved 228 of 228 residues in 497.9 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).